USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=27 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 36 CYS SG : rot 162:sc= 1.31 USER MOD Set 1.2: A 40 ASN :FLIP amide:sc= 1.2 F(o=1.1,f=2.5) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0826 (180deg=-0.552) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0783 (180deg=-0.0701) USER MOD Single : A 2 THR OG1 : rot 27:sc= 0.237 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0423 (180deg=-0.264) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.0601 (180deg=-0.372) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 12 ASN : amide:sc=-0.00556 K(o=-0.0056,f=-0.6) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 16 CYS SG : rot -156:sc= 0.00668 USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= -1.49 (180deg=-3.86!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0189 (180deg=-0.192) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0621 (180deg=-0.354) USER MOD Single : A 35 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 44 SER OG : rot 180:sc= -0.076 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0446 (180deg=-0.305) USER MOD Single : A 47 CYS SG : rot 29:sc= 0.85 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= -0.0248 (180deg=-0.234) USER MOD Single : A 54 TYR OH : rot -66:sc= 2.1 USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= -1.6 (180deg=-4.07!) USER MOD Single : A 57 CYS SG : rot -33:sc= -0.162 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.0456 (180deg=-0.347) 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 :FLIP amide:sc= -0.0975 F(o=-2.4!,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.464 15.548 -41.923 1.00 0.00 N ATOM 2 CA MET A 1 -3.036 14.133 -42.080 1.00 0.00 C ATOM 3 C MET A 1 -3.691 13.245 -41.028 1.00 0.00 C ATOM 4 O MET A 1 -4.301 13.737 -40.079 1.00 0.00 O ATOM 5 CB MET A 1 -1.513 14.026 -41.969 1.00 0.00 C ATOM 6 CG MET A 1 -0.967 14.481 -40.624 1.00 0.00 C ATOM 7 SD MET A 1 0.816 14.248 -40.483 1.00 0.00 S ATOM 8 CE MET A 1 1.403 15.335 -41.779 1.00 0.00 C ATOM 0 H1 MET A 1 -2.651 16.176 -42.083 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.210 15.764 -42.615 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.831 15.695 -40.961 1.00 0.00 H new ATOM 0 HA MET A 1 -3.351 13.793 -43.066 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.216 12.991 -42.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.057 14.624 -42.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.204 15.535 -40.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.466 13.928 -39.828 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.459 15.553 -41.621 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.274 14.850 -42.747 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.834 16.265 -41.760 1.00 0.00 H new ATOM 20 N THR A 2 -3.561 11.934 -41.204 1.00 0.00 N ATOM 21 CA THR A 2 -4.137 10.974 -40.269 1.00 0.00 C ATOM 22 C THR A 2 -3.193 10.713 -39.101 1.00 0.00 C ATOM 23 O THR A 2 -2.052 10.291 -39.292 1.00 0.00 O ATOM 24 CB THR A 2 -4.460 9.638 -40.964 1.00 0.00 C ATOM 25 OG1 THR A 2 -3.291 9.130 -41.619 1.00 0.00 O ATOM 26 CG2 THR A 2 -5.580 9.811 -41.978 1.00 0.00 C ATOM 0 H THR A 2 -3.061 11.512 -41.986 1.00 0.00 H new ATOM 0 HA THR A 2 -5.062 11.412 -39.894 1.00 0.00 H new ATOM 0 HB THR A 2 -4.787 8.929 -40.203 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.490 9.460 -41.161 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.790 8.854 -42.455 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.477 10.168 -41.472 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.277 10.535 -42.734 1.00 0.00 H new ATOM 34 N GLU A 3 -3.676 10.968 -37.888 1.00 0.00 N ATOM 35 CA GLU A 3 -2.875 10.764 -36.686 1.00 0.00 C ATOM 36 C GLU A 3 -3.558 9.784 -35.737 1.00 0.00 C ATOM 37 O GLU A 3 -4.693 10.005 -35.312 1.00 0.00 O ATOM 38 CB GLU A 3 -2.634 12.098 -35.978 1.00 0.00 C ATOM 39 CG GLU A 3 -1.804 11.978 -34.709 1.00 0.00 C ATOM 40 CD GLU A 3 -0.452 11.336 -34.953 1.00 0.00 C ATOM 41 OE1 GLU A 3 0.464 12.041 -35.426 1.00 0.00 O ATOM 42 OE2 GLU A 3 -0.310 10.127 -34.673 1.00 0.00 O ATOM 0 H GLU A 3 -4.618 11.316 -37.712 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.916 10.341 -36.984 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.132 12.779 -36.666 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.596 12.547 -35.731 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.659 12.969 -34.280 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.354 11.390 -33.974 1.00 0.00 H new ATOM 49 N THR A 4 -2.859 8.703 -35.405 1.00 0.00 N ATOM 50 CA THR A 4 -3.397 7.689 -34.508 1.00 0.00 C ATOM 51 C THR A 4 -2.934 7.917 -33.073 1.00 0.00 C ATOM 52 O THR A 4 -2.162 8.836 -32.797 1.00 0.00 O ATOM 53 CB THR A 4 -2.981 6.273 -34.948 1.00 0.00 C ATOM 54 OG1 THR A 4 -1.556 6.142 -34.902 1.00 0.00 O ATOM 55 CG2 THR A 4 -3.476 5.979 -36.357 1.00 0.00 C ATOM 0 H THR A 4 -1.917 8.508 -35.745 1.00 0.00 H new ATOM 0 HA THR A 4 -4.483 7.774 -34.554 1.00 0.00 H new ATOM 0 HB THR A 4 -3.432 5.556 -34.262 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.301 5.238 -35.182 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.171 4.974 -36.647 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.563 6.050 -36.383 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.049 6.703 -37.051 1.00 0.00 H new ATOM 63 N ASP A 5 -3.410 7.071 -32.165 1.00 0.00 N ATOM 64 CA ASP A 5 -3.050 7.172 -30.755 1.00 0.00 C ATOM 65 C ASP A 5 -2.842 5.783 -30.158 1.00 0.00 C ATOM 66 O ASP A 5 -2.777 5.621 -28.939 1.00 0.00 O ATOM 67 CB ASP A 5 -4.140 7.921 -29.984 1.00 0.00 C ATOM 68 CG ASP A 5 -3.750 8.204 -28.546 1.00 0.00 C ATOM 69 OD1 ASP A 5 -2.936 9.124 -28.321 1.00 0.00 O ATOM 70 OD2 ASP A 5 -4.258 7.505 -27.644 1.00 0.00 O ATOM 0 H ASP A 5 -4.048 6.305 -32.382 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.116 7.728 -30.674 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.356 8.862 -30.490 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.058 7.334 -29.998 1.00 0.00 H new ATOM 75 N LYS A 6 -2.733 4.784 -31.031 1.00 0.00 N ATOM 76 CA LYS A 6 -2.538 3.403 -30.600 1.00 0.00 C ATOM 77 C LYS A 6 -3.679 2.954 -29.693 1.00 0.00 C ATOM 78 O LYS A 6 -4.732 3.591 -29.643 1.00 0.00 O ATOM 79 CB LYS A 6 -1.195 3.253 -29.880 1.00 0.00 C ATOM 80 CG LYS A 6 0.002 3.578 -30.758 1.00 0.00 C ATOM 81 CD LYS A 6 1.306 3.468 -29.987 1.00 0.00 C ATOM 82 CE LYS A 6 2.503 3.746 -30.880 1.00 0.00 C ATOM 83 NZ LYS A 6 2.431 5.097 -31.501 1.00 0.00 N ATOM 0 H LYS A 6 -2.777 4.906 -32.043 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.533 2.766 -31.485 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.184 3.907 -29.008 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.100 2.231 -29.514 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.024 2.899 -31.610 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.102 4.587 -31.157 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.299 4.173 -29.155 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.394 2.470 -29.558 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.419 3.664 -30.295 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.556 2.989 -31.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.353 5.337 -31.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.703 5.099 -32.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.187 5.800 -30.775 1.00 0.00 H new ATOM 97 N LYS A 7 -3.468 1.854 -28.980 1.00 0.00 N ATOM 98 CA LYS A 7 -4.483 1.325 -28.082 1.00 0.00 C ATOM 99 C LYS A 7 -3.840 0.631 -26.886 1.00 0.00 C ATOM 100 O LYS A 7 -3.042 -0.294 -27.047 1.00 0.00 O ATOM 101 CB LYS A 7 -5.399 0.354 -28.835 1.00 0.00 C ATOM 102 CG LYS A 7 -6.739 0.115 -28.152 1.00 0.00 C ATOM 103 CD LYS A 7 -6.637 -0.924 -27.045 1.00 0.00 C ATOM 104 CE LYS A 7 -6.385 -2.315 -27.605 1.00 0.00 C ATOM 105 NZ LYS A 7 -7.504 -2.771 -28.476 1.00 0.00 N ATOM 0 H LYS A 7 -2.604 1.313 -29.007 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.081 2.157 -27.710 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.577 0.742 -29.838 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.885 -0.600 -28.949 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.106 1.053 -27.736 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.469 -0.213 -28.891 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.830 -0.653 -26.364 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.558 -0.927 -26.462 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.457 -2.314 -28.176 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.253 -3.019 -26.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.456 -3.804 -28.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.412 -2.512 -28.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.426 -2.316 -29.408 1.00 0.00 H new ATOM 119 N GLN A 8 -4.192 1.087 -25.688 1.00 0.00 N ATOM 120 CA GLN A 8 -3.654 0.513 -24.460 1.00 0.00 C ATOM 121 C GLN A 8 -4.712 0.512 -23.360 1.00 0.00 C ATOM 122 O GLN A 8 -5.584 1.380 -23.324 1.00 0.00 O ATOM 123 CB GLN A 8 -2.425 1.301 -24.001 1.00 0.00 C ATOM 124 CG GLN A 8 -1.714 0.683 -22.807 1.00 0.00 C ATOM 125 CD GLN A 8 -0.536 1.515 -22.331 1.00 0.00 C ATOM 126 OE1 GLN A 8 0.113 2.214 -23.256 1.00 0.00 O flip ATOM 127 NE2 GLN A 8 -0.212 1.525 -21.144 1.00 0.00 N flip ATOM 0 H GLN A 8 -4.849 1.854 -25.542 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.360 -0.517 -24.663 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.723 1.378 -24.831 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.729 2.316 -23.746 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.424 0.564 -21.988 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.365 -0.315 -23.074 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.739 0.973 -20.467 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.583 2.085 -20.837 1.00 0.00 H new ATOM 136 N GLU A 9 -4.628 -0.467 -22.465 1.00 0.00 N ATOM 137 CA GLU A 9 -5.580 -0.580 -21.366 1.00 0.00 C ATOM 138 C GLU A 9 -5.267 0.424 -20.261 1.00 0.00 C ATOM 139 O GLU A 9 -4.132 0.880 -20.127 1.00 0.00 O ATOM 140 CB GLU A 9 -5.566 -2.000 -20.797 1.00 0.00 C ATOM 141 CG GLU A 9 -5.931 -3.068 -21.814 1.00 0.00 C ATOM 142 CD GLU A 9 -7.319 -2.872 -22.390 1.00 0.00 C ATOM 143 OE1 GLU A 9 -7.443 -2.167 -23.415 1.00 0.00 O ATOM 144 OE2 GLU A 9 -8.284 -3.422 -21.817 1.00 0.00 O ATOM 0 H GLU A 9 -3.911 -1.193 -22.479 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.573 -0.360 -21.758 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.574 -2.213 -20.400 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.263 -2.054 -19.961 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.201 -3.059 -22.623 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.872 -4.049 -21.343 1.00 0.00 H new ATOM 151 N GLN A 10 -6.285 0.763 -19.474 1.00 0.00 N ATOM 152 CA GLN A 10 -6.124 1.711 -18.376 1.00 0.00 C ATOM 153 C GLN A 10 -6.843 1.220 -17.125 1.00 0.00 C ATOM 154 O GLN A 10 -7.400 0.122 -17.109 1.00 0.00 O ATOM 155 CB GLN A 10 -6.658 3.084 -18.777 1.00 0.00 C ATOM 156 CG GLN A 10 -8.090 3.039 -19.259 1.00 0.00 C ATOM 157 CD GLN A 10 -8.628 4.405 -19.646 1.00 0.00 C ATOM 158 OE1 GLN A 10 -7.748 5.274 -20.132 1.00 0.00 O flip ATOM 159 NE2 GLN A 10 -9.822 4.674 -19.514 1.00 0.00 N flip ATOM 0 H GLN A 10 -7.231 0.395 -19.577 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.060 1.794 -18.154 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.588 3.759 -17.924 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.028 3.498 -19.564 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.158 2.371 -20.118 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.718 2.616 -18.475 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.463 3.976 -19.136 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.170 5.594 -19.782 1.00 0.00 H new ATOM 168 N GLU A 11 -6.827 2.040 -16.078 1.00 0.00 N ATOM 169 CA GLU A 11 -7.480 1.687 -14.823 1.00 0.00 C ATOM 170 C GLU A 11 -8.580 2.688 -14.474 1.00 0.00 C ATOM 171 O GLU A 11 -9.664 2.299 -14.039 1.00 0.00 O ATOM 172 CB GLU A 11 -6.454 1.620 -13.688 1.00 0.00 C ATOM 173 CG GLU A 11 -5.626 2.886 -13.538 1.00 0.00 C ATOM 174 CD GLU A 11 -4.719 2.850 -12.323 1.00 0.00 C ATOM 175 OE1 GLU A 11 -3.620 2.263 -12.420 1.00 0.00 O ATOM 176 OE2 GLU A 11 -5.108 3.407 -11.275 1.00 0.00 O ATOM 0 H GLU A 11 -6.370 2.952 -16.074 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.937 0.706 -14.948 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.974 1.424 -12.751 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.785 0.778 -13.864 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.022 3.028 -14.434 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.293 3.745 -13.464 1.00 0.00 H new ATOM 183 N ASN A 12 -8.291 3.974 -14.671 1.00 0.00 N ATOM 184 CA ASN A 12 -9.248 5.039 -14.377 1.00 0.00 C ATOM 185 C ASN A 12 -9.610 5.057 -12.893 1.00 0.00 C ATOM 186 O ASN A 12 -9.033 5.817 -12.115 1.00 0.00 O ATOM 187 CB ASN A 12 -10.513 4.877 -15.225 1.00 0.00 C ATOM 188 CG ASN A 12 -11.529 5.972 -14.963 1.00 0.00 C ATOM 189 OD1 ASN A 12 -11.171 7.102 -14.632 1.00 0.00 O ATOM 190 ND2 ASN A 12 -12.808 5.641 -15.107 1.00 0.00 N ATOM 0 H ASN A 12 -7.397 4.304 -15.035 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.776 5.989 -14.627 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.242 4.881 -16.281 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.966 3.908 -15.016 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.536 6.336 -14.942 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.061 4.692 -15.383 1.00 0.00 H new ATOM 197 N HIS A 13 -10.567 4.217 -12.507 1.00 0.00 N ATOM 198 CA HIS A 13 -11.002 4.136 -11.116 1.00 0.00 C ATOM 199 C HIS A 13 -11.248 2.687 -10.710 1.00 0.00 C ATOM 200 O HIS A 13 -11.886 1.928 -11.439 1.00 0.00 O ATOM 201 CB HIS A 13 -12.276 4.960 -10.910 1.00 0.00 C ATOM 202 CG HIS A 13 -12.804 4.907 -9.509 1.00 0.00 C ATOM 203 ND1 HIS A 13 -13.792 4.030 -9.110 1.00 0.00 N ATOM 204 CD2 HIS A 13 -12.476 5.627 -8.410 1.00 0.00 C ATOM 205 CE1 HIS A 13 -14.050 4.216 -7.828 1.00 0.00 C ATOM 206 NE2 HIS A 13 -13.265 5.177 -7.380 1.00 0.00 N ATOM 0 H HIS A 13 -11.056 3.583 -13.139 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.210 4.542 -10.487 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.074 5.998 -11.174 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.046 4.601 -11.593 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.733 6.409 -8.354 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.780 3.673 -7.245 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -13.247 5.529 -6.423 1.00 0.00 H new ATOM 215 N ALA A 14 -10.739 2.309 -9.541 1.00 0.00 N ATOM 216 CA ALA A 14 -10.904 0.951 -9.036 1.00 0.00 C ATOM 217 C ALA A 14 -10.747 0.907 -7.520 1.00 0.00 C ATOM 218 O ALA A 14 -10.390 1.907 -6.896 1.00 0.00 O ATOM 219 CB ALA A 14 -9.905 0.015 -9.700 1.00 0.00 C ATOM 0 H ALA A 14 -10.208 2.925 -8.925 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.913 0.619 -9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.040 -0.995 -9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.067 0.015 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.891 0.353 -9.485 1.00 0.00 H new ATOM 225 N GLU A 15 -11.013 -0.257 -6.936 1.00 0.00 N ATOM 226 CA GLU A 15 -10.902 -0.429 -5.494 1.00 0.00 C ATOM 227 C GLU A 15 -9.548 -1.023 -5.119 1.00 0.00 C ATOM 228 O GLU A 15 -9.085 -1.978 -5.741 1.00 0.00 O ATOM 229 CB GLU A 15 -12.028 -1.329 -4.978 1.00 0.00 C ATOM 230 CG GLU A 15 -12.045 -1.480 -3.466 1.00 0.00 C ATOM 231 CD GLU A 15 -13.176 -2.365 -2.982 1.00 0.00 C ATOM 232 OE1 GLU A 15 -14.289 -1.840 -2.762 1.00 0.00 O ATOM 233 OE2 GLU A 15 -12.951 -3.583 -2.822 1.00 0.00 O ATOM 0 H GLU A 15 -11.307 -1.094 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.989 0.553 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.985 -0.922 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.930 -2.315 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.094 -1.898 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.137 -0.496 -3.007 1.00 0.00 H new ATOM 240 N CYS A 16 -8.916 -0.448 -4.100 1.00 0.00 N ATOM 241 CA CYS A 16 -7.614 -0.920 -3.643 1.00 0.00 C ATOM 242 C CYS A 16 -7.440 -0.679 -2.146 1.00 0.00 C ATOM 243 O CYS A 16 -8.083 0.198 -1.571 1.00 0.00 O ATOM 244 CB CYS A 16 -6.497 -0.220 -4.419 1.00 0.00 C ATOM 245 SG CYS A 16 -4.837 -0.831 -4.038 1.00 0.00 S ATOM 0 H CYS A 16 -9.285 0.345 -3.575 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.559 -1.993 -3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.681 -0.340 -5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.537 0.848 -4.207 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.961 0.088 -4.318 1.00 0.00 H new ATOM 251 N GLU A 17 -6.566 -1.465 -1.522 1.00 0.00 N ATOM 252 CA GLU A 17 -6.307 -1.340 -0.093 1.00 0.00 C ATOM 253 C GLU A 17 -5.097 -0.446 0.164 1.00 0.00 C ATOM 254 O GLU A 17 -5.205 0.588 0.822 1.00 0.00 O ATOM 255 CB GLU A 17 -6.077 -2.720 0.529 1.00 0.00 C ATOM 256 CG GLU A 17 -5.853 -2.681 2.032 1.00 0.00 C ATOM 257 CD GLU A 17 -5.592 -4.055 2.619 1.00 0.00 C ATOM 258 OE1 GLU A 17 -6.570 -4.736 2.992 1.00 0.00 O ATOM 259 OE2 GLU A 17 -4.410 -4.447 2.709 1.00 0.00 O ATOM 0 H GLU A 17 -6.026 -2.195 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.181 -0.882 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.938 -3.354 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.213 -3.184 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.008 -2.029 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.727 -2.244 2.515 1.00 0.00 H new ATOM 266 N ASP A 18 -3.944 -0.854 -0.359 1.00 0.00 N ATOM 267 CA ASP A 18 -2.712 -0.091 -0.190 1.00 0.00 C ATOM 268 C ASP A 18 -2.137 0.311 -1.544 1.00 0.00 C ATOM 269 O ASP A 18 -2.239 -0.437 -2.517 1.00 0.00 O ATOM 270 CB ASP A 18 -1.686 -0.910 0.595 1.00 0.00 C ATOM 271 CG ASP A 18 -0.381 -0.163 0.798 1.00 0.00 C ATOM 272 OD1 ASP A 18 0.514 -0.287 -0.065 1.00 0.00 O ATOM 273 OD2 ASP A 18 -0.255 0.546 1.818 1.00 0.00 O ATOM 0 H ASP A 18 -3.838 -1.710 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.944 0.815 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.104 -1.176 1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.489 -1.843 0.067 1.00 0.00 H new ATOM 278 N LYS A 19 -1.531 1.497 -1.596 1.00 0.00 N ATOM 279 CA LYS A 19 -0.940 2.009 -2.829 1.00 0.00 C ATOM 280 C LYS A 19 -1.997 2.140 -3.926 1.00 0.00 C ATOM 281 O LYS A 19 -2.340 1.157 -4.586 1.00 0.00 O ATOM 282 CB LYS A 19 0.195 1.094 -3.304 1.00 0.00 C ATOM 283 CG LYS A 19 0.897 1.596 -4.556 1.00 0.00 C ATOM 284 CD LYS A 19 2.019 0.663 -4.991 1.00 0.00 C ATOM 285 CE LYS A 19 3.275 0.856 -4.152 1.00 0.00 C ATOM 286 NZ LYS A 19 3.122 0.307 -2.776 1.00 0.00 N ATOM 0 H LYS A 19 -1.437 2.122 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.532 2.998 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.927 0.991 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.208 0.100 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.172 1.693 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.303 2.590 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.683 -0.371 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.253 0.841 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.117 0.369 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.511 1.919 -4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.016 -0.133 -2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.878 1.077 -2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.366 -0.407 -2.769 1.00 0.00 H new ATOM 300 N PRO A 20 -2.532 3.359 -4.137 1.00 0.00 N ATOM 301 CA PRO A 20 -3.542 3.611 -5.152 1.00 0.00 C ATOM 302 C PRO A 20 -2.917 4.030 -6.480 1.00 0.00 C ATOM 303 O PRO A 20 -3.101 3.372 -7.506 1.00 0.00 O ATOM 304 CB PRO A 20 -4.346 4.761 -4.545 1.00 0.00 C ATOM 305 CG PRO A 20 -3.412 5.468 -3.604 1.00 0.00 C ATOM 306 CD PRO A 20 -2.193 4.592 -3.415 1.00 0.00 C ATOM 0 HA PRO A 20 -4.139 2.729 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.705 5.438 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.223 4.388 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.125 6.439 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.901 5.653 -2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.297 5.060 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.000 4.398 -2.360 1.00 0.00 H new ATOM 314 N LYS A 21 -2.175 5.131 -6.440 1.00 0.00 N ATOM 315 CA LYS A 21 -1.494 5.663 -7.614 1.00 0.00 C ATOM 316 C LYS A 21 -0.515 6.763 -7.195 1.00 0.00 C ATOM 317 O LYS A 21 -0.571 7.883 -7.705 1.00 0.00 O ATOM 318 CB LYS A 21 -2.514 6.215 -8.613 1.00 0.00 C ATOM 319 CG LYS A 21 -3.484 7.209 -7.998 1.00 0.00 C ATOM 320 CD LYS A 21 -4.530 7.667 -9.003 1.00 0.00 C ATOM 321 CE LYS A 21 -5.522 8.631 -8.373 1.00 0.00 C ATOM 322 NZ LYS A 21 -6.562 9.074 -9.342 1.00 0.00 N ATOM 0 H LYS A 21 -2.029 5.680 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.937 4.858 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.983 6.697 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.078 5.386 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.978 6.753 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.933 8.073 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.038 8.150 -9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.062 6.801 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.002 8.151 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.989 9.501 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.218 9.730 -8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.107 9.555 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.089 8.247 -9.688 1.00 0.00 H new ATOM 336 N PRO A 22 0.406 6.453 -6.258 1.00 0.00 N ATOM 337 CA PRO A 22 1.379 7.410 -5.750 1.00 0.00 C ATOM 338 C PRO A 22 2.706 7.371 -6.499 1.00 0.00 C ATOM 339 O PRO A 22 3.243 6.297 -6.774 1.00 0.00 O ATOM 340 CB PRO A 22 1.567 6.929 -4.317 1.00 0.00 C ATOM 341 CG PRO A 22 1.419 5.442 -4.392 1.00 0.00 C ATOM 342 CD PRO A 22 0.580 5.139 -5.613 1.00 0.00 C ATOM 0 HA PRO A 22 1.042 8.442 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.547 7.210 -3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.824 7.368 -3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.394 4.961 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.941 5.057 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.079 4.432 -6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.379 4.698 -5.340 1.00 0.00 H new ATOM 350 N CYS A 23 3.231 8.550 -6.821 1.00 0.00 N ATOM 351 CA CYS A 23 4.504 8.655 -7.525 1.00 0.00 C ATOM 352 C CYS A 23 4.944 10.110 -7.641 1.00 0.00 C ATOM 353 O CYS A 23 5.824 10.443 -8.434 1.00 0.00 O ATOM 354 CB CYS A 23 4.407 8.026 -8.917 1.00 0.00 C ATOM 355 SG CYS A 23 6.011 7.624 -9.648 1.00 0.00 S ATOM 0 H CYS A 23 2.794 9.446 -6.605 1.00 0.00 H new ATOM 0 HA CYS A 23 5.250 8.112 -6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.809 7.117 -8.854 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.878 8.711 -9.579 1.00 0.00 H new ATOM 361 N CYS A 24 4.329 10.974 -6.838 1.00 0.00 N ATOM 362 CA CYS A 24 4.659 12.394 -6.846 1.00 0.00 C ATOM 363 C CYS A 24 5.525 12.755 -5.645 1.00 0.00 C ATOM 364 O CYS A 24 6.099 13.844 -5.584 1.00 0.00 O ATOM 365 CB CYS A 24 3.382 13.238 -6.841 1.00 0.00 C ATOM 366 SG CYS A 24 2.290 12.933 -8.250 1.00 0.00 S ATOM 0 H CYS A 24 3.600 10.715 -6.174 1.00 0.00 H new ATOM 0 HA CYS A 24 5.221 12.606 -7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.833 13.041 -5.920 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.656 14.293 -6.829 1.00 0.00 H new ATOM 0 HG CYS A 24 1.238 13.691 -8.156 1.00 0.00 H new ATOM 372 N VAL A 25 5.617 11.834 -4.688 1.00 0.00 N ATOM 373 CA VAL A 25 6.412 12.056 -3.486 1.00 0.00 C ATOM 374 C VAL A 25 7.360 10.887 -3.227 1.00 0.00 C ATOM 375 O VAL A 25 7.943 10.775 -2.148 1.00 0.00 O ATOM 376 CB VAL A 25 5.513 12.261 -2.247 1.00 0.00 C ATOM 377 CG1 VAL A 25 6.264 13.016 -1.160 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.231 12.990 -2.626 1.00 0.00 C ATOM 0 H VAL A 25 5.150 10.928 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 25 6.996 12.961 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 25 5.241 11.281 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.614 13.151 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.146 12.448 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.570 13.991 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.613 13.124 -1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.478 13.965 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.684 12.404 -3.364 1.00 0.00 H new ATOM 388 N CYS A 26 7.515 10.019 -4.223 1.00 0.00 N ATOM 389 CA CYS A 26 8.394 8.860 -4.096 1.00 0.00 C ATOM 390 C CYS A 26 9.201 8.639 -5.371 1.00 0.00 C ATOM 391 O CYS A 26 8.775 9.023 -6.460 1.00 0.00 O ATOM 392 CB CYS A 26 7.578 7.605 -3.785 1.00 0.00 C ATOM 393 SG CYS A 26 6.603 6.997 -5.183 1.00 0.00 S ATOM 0 H CYS A 26 7.045 10.096 -5.125 1.00 0.00 H new ATOM 0 HA CYS A 26 9.085 9.056 -3.276 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.255 6.816 -3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.907 7.817 -2.952 1.00 0.00 H new ATOM 399 N LYS A 27 10.368 8.012 -5.227 1.00 0.00 N ATOM 400 CA LYS A 27 11.234 7.730 -6.368 1.00 0.00 C ATOM 401 C LYS A 27 12.432 6.859 -5.966 1.00 0.00 C ATOM 402 O LYS A 27 12.649 5.800 -6.554 1.00 0.00 O ATOM 403 CB LYS A 27 11.715 9.033 -7.020 1.00 0.00 C ATOM 404 CG LYS A 27 12.611 8.816 -8.229 1.00 0.00 C ATOM 405 CD LYS A 27 11.845 8.193 -9.385 1.00 0.00 C ATOM 406 CE LYS A 27 12.751 7.927 -10.576 1.00 0.00 C ATOM 407 NZ LYS A 27 13.371 9.178 -11.092 1.00 0.00 N ATOM 0 H LYS A 27 10.734 7.690 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 27 10.645 7.172 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.847 9.620 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.256 9.622 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.036 9.769 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.445 8.171 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.388 7.259 -9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.034 8.857 -9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.534 7.226 -10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.176 7.452 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.813 8.991 -12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.639 9.909 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.094 9.509 -10.422 1.00 0.00 H new ATOM 421 N PRO A 28 13.230 7.283 -4.959 1.00 0.00 N ATOM 422 CA PRO A 28 14.398 6.515 -4.515 1.00 0.00 C ATOM 423 C PRO A 28 14.019 5.301 -3.674 1.00 0.00 C ATOM 424 O PRO A 28 14.666 4.255 -3.749 1.00 0.00 O ATOM 425 CB PRO A 28 15.175 7.526 -3.673 1.00 0.00 C ATOM 426 CG PRO A 28 14.127 8.422 -3.113 1.00 0.00 C ATOM 427 CD PRO A 28 13.060 8.524 -4.170 1.00 0.00 C ATOM 0 HA PRO A 28 14.961 6.107 -5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.741 7.033 -2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.891 8.081 -4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.721 8.016 -2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.538 9.404 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.065 8.586 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.191 9.413 -4.787 1.00 0.00 H new ATOM 435 N GLU A 29 12.966 5.449 -2.875 1.00 0.00 N ATOM 436 CA GLU A 29 12.499 4.373 -2.006 1.00 0.00 C ATOM 437 C GLU A 29 12.249 3.091 -2.796 1.00 0.00 C ATOM 438 O GLU A 29 12.752 2.026 -2.438 1.00 0.00 O ATOM 439 CB GLU A 29 11.220 4.799 -1.283 1.00 0.00 C ATOM 440 CG GLU A 29 11.033 4.135 0.073 1.00 0.00 C ATOM 441 CD GLU A 29 10.963 2.622 -0.017 1.00 0.00 C ATOM 442 OE1 GLU A 29 9.873 2.096 -0.322 1.00 0.00 O ATOM 443 OE2 GLU A 29 11.999 1.965 0.219 1.00 0.00 O ATOM 0 H GLU A 29 12.418 6.307 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 29 13.279 4.171 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.232 5.881 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.362 4.565 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.858 4.418 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.118 4.510 0.533 1.00 0.00 H new ATOM 450 N LYS A 30 11.468 3.197 -3.869 1.00 0.00 N ATOM 451 CA LYS A 30 11.153 2.040 -4.703 1.00 0.00 C ATOM 452 C LYS A 30 12.423 1.333 -5.165 1.00 0.00 C ATOM 453 O LYS A 30 12.474 0.105 -5.214 1.00 0.00 O ATOM 454 CB LYS A 30 10.328 2.464 -5.920 1.00 0.00 C ATOM 455 CG LYS A 30 8.914 2.906 -5.579 1.00 0.00 C ATOM 456 CD LYS A 30 8.151 3.323 -6.827 1.00 0.00 C ATOM 457 CE LYS A 30 6.695 3.629 -6.518 1.00 0.00 C ATOM 458 NZ LYS A 30 5.976 2.437 -5.987 1.00 0.00 N ATOM 0 H LYS A 30 11.043 4.070 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 30 10.569 1.346 -4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.841 3.280 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.279 1.632 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.386 2.092 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.950 3.739 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.623 4.202 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.206 2.528 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.641 4.439 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.198 3.979 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.950 2.590 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.241 1.597 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.235 2.291 -4.990 1.00 0.00 H new ATOM 472 N GLU A 31 13.444 2.114 -5.503 1.00 0.00 N ATOM 473 CA GLU A 31 14.711 1.553 -5.960 1.00 0.00 C ATOM 474 C GLU A 31 15.408 0.795 -4.835 1.00 0.00 C ATOM 475 O GLU A 31 16.010 -0.256 -5.061 1.00 0.00 O ATOM 476 CB GLU A 31 15.625 2.661 -6.490 1.00 0.00 C ATOM 477 CG GLU A 31 16.912 2.142 -7.110 1.00 0.00 C ATOM 478 CD GLU A 31 17.767 3.250 -7.693 1.00 0.00 C ATOM 479 OE1 GLU A 31 17.571 3.588 -8.879 1.00 0.00 O ATOM 480 OE2 GLU A 31 18.632 3.778 -6.964 1.00 0.00 O ATOM 0 H GLU A 31 13.420 3.133 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 31 14.498 0.853 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.082 3.244 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.872 3.339 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.485 1.606 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.670 1.425 -7.894 1.00 0.00 H new ATOM 487 N GLU A 32 15.321 1.332 -3.622 1.00 0.00 N ATOM 488 CA GLU A 32 15.944 0.705 -2.462 1.00 0.00 C ATOM 489 C GLU A 32 15.314 -0.653 -2.166 1.00 0.00 C ATOM 490 O GLU A 32 16.000 -1.676 -2.147 1.00 0.00 O ATOM 491 CB GLU A 32 15.828 1.614 -1.237 1.00 0.00 C ATOM 492 CG GLU A 32 16.553 2.941 -1.391 1.00 0.00 C ATOM 493 CD GLU A 32 16.456 3.806 -0.149 1.00 0.00 C ATOM 494 OE1 GLU A 32 15.452 4.535 -0.010 1.00 0.00 O ATOM 495 OE2 GLU A 32 17.385 3.753 0.684 1.00 0.00 O ATOM 0 H GLU A 32 14.825 2.200 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 32 16.998 0.551 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.774 1.807 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.227 1.091 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.603 2.753 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.136 3.482 -2.240 1.00 0.00 H new ATOM 502 N ARG A 33 14.002 -0.658 -1.938 1.00 0.00 N ATOM 503 CA ARG A 33 13.284 -1.893 -1.641 1.00 0.00 C ATOM 504 C ARG A 33 13.457 -2.907 -2.767 1.00 0.00 C ATOM 505 O ARG A 33 13.678 -4.091 -2.516 1.00 0.00 O ATOM 506 CB ARG A 33 11.796 -1.613 -1.419 1.00 0.00 C ATOM 507 CG ARG A 33 11.046 -2.792 -0.818 1.00 0.00 C ATOM 508 CD ARG A 33 9.541 -2.587 -0.873 1.00 0.00 C ATOM 509 NE ARG A 33 9.135 -1.310 -0.301 1.00 0.00 N ATOM 510 CZ ARG A 33 7.976 -0.722 -0.570 1.00 0.00 C ATOM 511 NH1 ARG A 33 7.117 -1.294 -1.402 1.00 0.00 N ATOM 512 NH2 ARG A 33 7.675 0.439 -0.011 1.00 0.00 N ATOM 0 H ARG A 33 13.417 0.177 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 33 13.705 -2.311 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.690 -0.750 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.337 -1.347 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.309 -3.703 -1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.357 -2.932 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.207 -2.641 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.047 -3.397 -0.336 1.00 0.00 H new ATOM 0 HE ARG A 33 9.776 -0.843 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.346 -2.188 -1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.227 -0.840 -1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.334 0.884 0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.784 0.889 -0.219 1.00 0.00 H new ATOM 526 N ASP A 34 13.356 -2.432 -4.006 1.00 0.00 N ATOM 527 CA ASP A 34 13.502 -3.296 -5.174 1.00 0.00 C ATOM 528 C ASP A 34 14.816 -4.068 -5.116 1.00 0.00 C ATOM 529 O ASP A 34 14.828 -5.297 -5.187 1.00 0.00 O ATOM 530 CB ASP A 34 13.441 -2.467 -6.458 1.00 0.00 C ATOM 531 CG ASP A 34 13.623 -3.314 -7.702 1.00 0.00 C ATOM 532 OD1 ASP A 34 12.625 -3.901 -8.172 1.00 0.00 O ATOM 533 OD2 ASP A 34 14.763 -3.391 -8.206 1.00 0.00 O ATOM 0 H ASP A 34 13.174 -1.453 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 34 12.679 -4.011 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.482 -1.952 -6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.214 -1.699 -6.428 1.00 0.00 H new ATOM 538 N THR A 35 15.919 -3.338 -4.987 1.00 0.00 N ATOM 539 CA THR A 35 17.239 -3.952 -4.916 1.00 0.00 C ATOM 540 C THR A 35 17.297 -4.993 -3.801 1.00 0.00 C ATOM 541 O THR A 35 17.787 -6.105 -4.002 1.00 0.00 O ATOM 542 CB THR A 35 18.337 -2.899 -4.681 1.00 0.00 C ATOM 543 OG1 THR A 35 18.245 -1.866 -5.670 1.00 0.00 O ATOM 544 CG2 THR A 35 19.719 -3.532 -4.735 1.00 0.00 C ATOM 0 H THR A 35 15.924 -2.320 -4.929 1.00 0.00 H new ATOM 0 HA THR A 35 17.416 -4.439 -5.875 1.00 0.00 H new ATOM 0 HB THR A 35 18.189 -2.471 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 35 17.501 -1.268 -5.450 1.00 0.00 H new ATOM 0 HG21 THR A 35 20.477 -2.767 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.799 -4.298 -3.964 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.874 -3.985 -5.714 1.00 0.00 H new ATOM 552 N CYS A 36 16.789 -4.626 -2.627 1.00 0.00 N ATOM 553 CA CYS A 36 16.782 -5.528 -1.479 1.00 0.00 C ATOM 554 C CYS A 36 16.076 -6.839 -1.818 1.00 0.00 C ATOM 555 O CYS A 36 16.500 -7.908 -1.391 1.00 0.00 O ATOM 556 CB CYS A 36 16.098 -4.865 -0.283 1.00 0.00 C ATOM 557 SG CYS A 36 16.018 -5.908 1.192 1.00 0.00 S ATOM 0 H CYS A 36 16.377 -3.711 -2.446 1.00 0.00 H new ATOM 0 HA CYS A 36 17.818 -5.749 -1.220 1.00 0.00 H new ATOM 0 HB2 CYS A 36 16.630 -3.946 -0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 36 15.086 -4.580 -0.569 1.00 0.00 H new ATOM 0 HG CYS A 36 15.794 -5.167 2.236 1.00 0.00 H new ATOM 563 N ILE A 37 14.998 -6.745 -2.591 1.00 0.00 N ATOM 564 CA ILE A 37 14.232 -7.924 -2.983 1.00 0.00 C ATOM 565 C ILE A 37 14.969 -8.725 -4.054 1.00 0.00 C ATOM 566 O ILE A 37 14.797 -9.939 -4.164 1.00 0.00 O ATOM 567 CB ILE A 37 12.833 -7.534 -3.507 1.00 0.00 C ATOM 568 CG1 ILE A 37 12.050 -6.787 -2.422 1.00 0.00 C ATOM 569 CG2 ILE A 37 12.066 -8.771 -3.963 1.00 0.00 C ATOM 570 CD1 ILE A 37 10.750 -6.186 -2.912 1.00 0.00 C ATOM 0 H ILE A 37 14.635 -5.865 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 37 14.115 -8.542 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 37 12.957 -6.873 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.836 -7.474 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.677 -5.993 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.083 -8.475 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 37 12.617 -9.266 -4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.950 -9.457 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.253 -5.674 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.957 -5.473 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.103 -6.977 -3.291 1.00 0.00 H new ATOM 582 N LEU A 38 15.795 -8.040 -4.838 1.00 0.00 N ATOM 583 CA LEU A 38 16.555 -8.691 -5.901 1.00 0.00 C ATOM 584 C LEU A 38 17.677 -9.558 -5.333 1.00 0.00 C ATOM 585 O LEU A 38 17.955 -10.640 -5.849 1.00 0.00 O ATOM 586 CB LEU A 38 17.139 -7.647 -6.855 1.00 0.00 C ATOM 587 CG LEU A 38 16.111 -6.882 -7.691 1.00 0.00 C ATOM 588 CD1 LEU A 38 16.790 -5.793 -8.506 1.00 0.00 C ATOM 589 CD2 LEU A 38 15.349 -7.832 -8.604 1.00 0.00 C ATOM 0 H LEU A 38 15.956 -7.036 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 38 15.869 -9.337 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 38 17.717 -6.929 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.835 -8.144 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 38 15.399 -6.412 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.043 -5.260 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 38 17.290 -5.095 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.524 -6.243 -9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.623 -7.269 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.048 -8.331 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.830 -8.577 -8.002 1.00 0.00 H new ATOM 601 N PHE A 39 18.318 -9.079 -4.272 1.00 0.00 N ATOM 602 CA PHE A 39 19.416 -9.815 -3.649 1.00 0.00 C ATOM 603 C PHE A 39 18.915 -10.773 -2.571 1.00 0.00 C ATOM 604 O PHE A 39 19.522 -11.817 -2.330 1.00 0.00 O ATOM 605 CB PHE A 39 20.433 -8.845 -3.050 1.00 0.00 C ATOM 606 CG PHE A 39 21.285 -8.158 -4.079 1.00 0.00 C ATOM 607 CD1 PHE A 39 20.846 -7.000 -4.701 1.00 0.00 C ATOM 608 CD2 PHE A 39 22.525 -8.669 -4.423 1.00 0.00 C ATOM 609 CE1 PHE A 39 21.629 -6.367 -5.648 1.00 0.00 C ATOM 610 CE2 PHE A 39 23.313 -8.041 -5.368 1.00 0.00 C ATOM 611 CZ PHE A 39 22.864 -6.887 -5.982 1.00 0.00 C ATOM 0 H PHE A 39 18.099 -8.188 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 39 19.896 -10.408 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 39 19.904 -8.092 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 39 21.078 -9.388 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.882 -6.588 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 39 22.881 -9.570 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 39 21.275 -5.466 -6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 39 24.278 -8.451 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A 39 23.477 -6.393 -6.721 1.00 0.00 H new ATOM 621 N ASN A 40 17.811 -10.417 -1.923 1.00 0.00 N ATOM 622 CA ASN A 40 17.246 -11.251 -0.865 1.00 0.00 C ATOM 623 C ASN A 40 16.096 -12.107 -1.389 1.00 0.00 C ATOM 624 O ASN A 40 16.183 -13.334 -1.403 1.00 0.00 O ATOM 625 CB ASN A 40 16.765 -10.381 0.298 1.00 0.00 C ATOM 626 CG ASN A 40 17.899 -9.617 0.952 1.00 0.00 C ATOM 627 OD1 ASN A 40 18.515 -10.220 1.962 1.00 0.00 O flip ATOM 628 ND2 ASN A 40 18.218 -8.496 0.556 1.00 0.00 N flip ATOM 0 H ASN A 40 17.290 -9.560 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 40 18.031 -11.918 -0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.016 -9.676 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.277 -11.010 1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.718 -8.069 -0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.982 -7.994 1.008 1.00 0.00 H new ATOM 635 N GLY A 41 15.022 -11.453 -1.816 1.00 0.00 N ATOM 636 CA GLY A 41 13.873 -12.174 -2.334 1.00 0.00 C ATOM 637 C GLY A 41 12.562 -11.667 -1.768 1.00 0.00 C ATOM 638 O GLY A 41 12.548 -10.808 -0.886 1.00 0.00 O ATOM 0 H GLY A 41 14.926 -10.438 -1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.853 -12.086 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.979 -13.234 -2.102 1.00 0.00 H new ATOM 642 N GLN A 42 11.456 -12.200 -2.279 1.00 0.00 N ATOM 643 CA GLN A 42 10.130 -11.799 -1.822 1.00 0.00 C ATOM 644 C GLN A 42 9.789 -12.446 -0.484 1.00 0.00 C ATOM 645 O GLN A 42 8.748 -12.155 0.108 1.00 0.00 O ATOM 646 CB GLN A 42 9.075 -12.176 -2.863 1.00 0.00 C ATOM 647 CG GLN A 42 9.202 -11.404 -4.166 1.00 0.00 C ATOM 648 CD GLN A 42 8.150 -11.802 -5.184 1.00 0.00 C ATOM 649 OE1 GLN A 42 7.695 -12.945 -5.209 1.00 0.00 O ATOM 650 NE2 GLN A 42 7.756 -10.854 -6.027 1.00 0.00 N ATOM 0 H GLN A 42 11.452 -12.911 -3.010 1.00 0.00 H new ATOM 0 HA GLN A 42 10.135 -10.717 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.150 -13.243 -3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.084 -12.003 -2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.119 -10.337 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.193 -11.571 -4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.161 -9.920 -5.969 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.048 -11.060 -6.732 1.00 0.00 H new ATOM 659 N ASP A 43 10.668 -13.323 -0.011 1.00 0.00 N ATOM 660 CA ASP A 43 10.452 -14.008 1.258 1.00 0.00 C ATOM 661 C ASP A 43 11.773 -14.494 1.849 1.00 0.00 C ATOM 662 O ASP A 43 12.266 -15.565 1.493 1.00 0.00 O ATOM 663 CB ASP A 43 9.496 -15.187 1.068 1.00 0.00 C ATOM 664 CG ASP A 43 9.237 -15.937 2.360 1.00 0.00 C ATOM 665 OD1 ASP A 43 8.343 -15.514 3.123 1.00 0.00 O ATOM 666 OD2 ASP A 43 9.929 -16.947 2.609 1.00 0.00 O ATOM 0 H ASP A 43 11.535 -13.576 -0.486 1.00 0.00 H new ATOM 0 HA ASP A 43 10.006 -13.298 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.550 -14.823 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.912 -15.873 0.330 1.00 0.00 H new ATOM 671 N SER A 44 12.341 -13.696 2.749 1.00 0.00 N ATOM 672 CA SER A 44 13.606 -14.039 3.391 1.00 0.00 C ATOM 673 C SER A 44 13.914 -13.075 4.532 1.00 0.00 C ATOM 674 O SER A 44 14.076 -11.873 4.312 1.00 0.00 O ATOM 675 CB SER A 44 14.745 -14.015 2.371 1.00 0.00 C ATOM 676 OG SER A 44 15.963 -14.439 2.957 1.00 0.00 O ATOM 0 H SER A 44 11.944 -12.806 3.050 1.00 0.00 H new ATOM 0 HA SER A 44 13.515 -15.045 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.498 -14.663 1.530 1.00 0.00 H new ATOM 0 HB3 SER A 44 14.861 -13.007 1.974 1.00 0.00 H new ATOM 0 HG SER A 44 16.675 -14.416 2.284 1.00 0.00 H new ATOM 682 N GLU A 45 13.994 -13.608 5.749 1.00 0.00 N ATOM 683 CA GLU A 45 14.280 -12.796 6.929 1.00 0.00 C ATOM 684 C GLU A 45 13.264 -11.666 7.072 1.00 0.00 C ATOM 685 O GLU A 45 13.521 -10.669 7.749 1.00 0.00 O ATOM 686 CB GLU A 45 15.696 -12.218 6.851 1.00 0.00 C ATOM 687 CG GLU A 45 16.791 -13.245 7.091 1.00 0.00 C ATOM 688 CD GLU A 45 16.845 -14.312 6.014 1.00 0.00 C ATOM 689 OE1 GLU A 45 16.088 -15.299 6.117 1.00 0.00 O ATOM 690 OE2 GLU A 45 17.647 -14.159 5.068 1.00 0.00 O ATOM 0 H GLU A 45 13.864 -14.601 5.944 1.00 0.00 H new ATOM 0 HA GLU A 45 14.208 -13.440 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.841 -11.768 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.793 -11.418 7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.754 -12.737 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.631 -13.720 8.059 1.00 0.00 H new ATOM 697 N LYS A 46 12.109 -11.834 6.432 1.00 0.00 N ATOM 698 CA LYS A 46 11.046 -10.836 6.482 1.00 0.00 C ATOM 699 C LYS A 46 11.530 -9.499 5.935 1.00 0.00 C ATOM 700 O LYS A 46 12.029 -8.653 6.678 1.00 0.00 O ATOM 701 CB LYS A 46 10.527 -10.665 7.910 1.00 0.00 C ATOM 702 CG LYS A 46 9.795 -11.889 8.438 1.00 0.00 C ATOM 703 CD LYS A 46 10.765 -12.972 8.881 1.00 0.00 C ATOM 704 CE LYS A 46 10.034 -14.181 9.443 1.00 0.00 C ATOM 705 NZ LYS A 46 9.202 -13.827 10.626 1.00 0.00 N ATOM 0 H LYS A 46 11.886 -12.656 5.871 1.00 0.00 H new ATOM 0 HA LYS A 46 10.227 -11.190 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.366 -10.440 8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.856 -9.807 7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.162 -11.601 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.138 -12.283 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.380 -13.279 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.440 -12.570 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.399 -14.613 8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.759 -14.945 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.927 -14.695 11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.749 -13.215 11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.348 -13.324 10.312 1.00 0.00 H new ATOM 719 N CYS A 47 11.384 -9.320 4.627 1.00 0.00 N ATOM 720 CA CYS A 47 11.805 -8.088 3.969 1.00 0.00 C ATOM 721 C CYS A 47 10.714 -7.024 4.044 1.00 0.00 C ATOM 722 O CYS A 47 10.785 -6.000 3.363 1.00 0.00 O ATOM 723 CB CYS A 47 12.163 -8.365 2.508 1.00 0.00 C ATOM 724 SG CYS A 47 13.511 -9.550 2.291 1.00 0.00 S ATOM 0 H CYS A 47 10.977 -10.014 4.000 1.00 0.00 H new ATOM 0 HA CYS A 47 12.686 -7.712 4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.278 -8.739 1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 47 12.438 -7.426 2.028 1.00 0.00 H new ATOM 0 HG CYS A 47 13.521 -10.383 3.289 1.00 0.00 H new ATOM 730 N LYS A 48 9.710 -7.270 4.880 1.00 0.00 N ATOM 731 CA LYS A 48 8.602 -6.333 5.043 1.00 0.00 C ATOM 732 C LYS A 48 9.044 -5.094 5.819 1.00 0.00 C ATOM 733 O LYS A 48 8.286 -4.134 5.957 1.00 0.00 O ATOM 734 CB LYS A 48 7.432 -7.009 5.760 1.00 0.00 C ATOM 735 CG LYS A 48 7.748 -7.418 7.191 1.00 0.00 C ATOM 736 CD LYS A 48 6.548 -8.062 7.870 1.00 0.00 C ATOM 737 CE LYS A 48 6.204 -9.406 7.244 1.00 0.00 C ATOM 738 NZ LYS A 48 5.094 -10.087 7.967 1.00 0.00 N ATOM 0 H LYS A 48 9.640 -8.110 5.455 1.00 0.00 H new ATOM 0 HA LYS A 48 8.277 -6.021 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.579 -6.330 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.133 -7.893 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.585 -8.116 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.061 -6.542 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.759 -8.197 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.688 -7.396 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.922 -9.259 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.087 -10.045 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.890 -10.999 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.372 -10.250 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.244 -9.489 7.941 1.00 0.00 H new ATOM 752 N GLU A 49 10.271 -5.128 6.327 1.00 0.00 N ATOM 753 CA GLU A 49 10.815 -4.010 7.090 1.00 0.00 C ATOM 754 C GLU A 49 10.845 -2.735 6.252 1.00 0.00 C ATOM 755 O GLU A 49 10.456 -1.665 6.719 1.00 0.00 O ATOM 756 CB GLU A 49 12.228 -4.341 7.579 1.00 0.00 C ATOM 757 CG GLU A 49 12.837 -3.259 8.456 1.00 0.00 C ATOM 758 CD GLU A 49 12.097 -3.089 9.769 1.00 0.00 C ATOM 759 OE1 GLU A 49 11.079 -2.365 9.789 1.00 0.00 O ATOM 760 OE2 GLU A 49 12.536 -3.681 10.777 1.00 0.00 O ATOM 0 H GLU A 49 10.908 -5.918 6.224 1.00 0.00 H new ATOM 0 HA GLU A 49 10.165 -3.842 7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.200 -5.277 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.873 -4.504 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.879 -3.505 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.833 -2.313 7.915 1.00 0.00 H new ATOM 767 N PHE A 50 11.308 -2.861 5.012 1.00 0.00 N ATOM 768 CA PHE A 50 11.393 -1.721 4.103 1.00 0.00 C ATOM 769 C PHE A 50 10.008 -1.169 3.782 1.00 0.00 C ATOM 770 O PHE A 50 9.824 0.044 3.673 1.00 0.00 O ATOM 771 CB PHE A 50 12.106 -2.127 2.813 1.00 0.00 C ATOM 772 CG PHE A 50 13.573 -2.392 2.998 1.00 0.00 C ATOM 773 CD1 PHE A 50 14.011 -3.533 3.650 1.00 0.00 C ATOM 774 CD2 PHE A 50 14.515 -1.494 2.521 1.00 0.00 C ATOM 775 CE1 PHE A 50 15.360 -3.776 3.822 1.00 0.00 C ATOM 776 CE2 PHE A 50 15.866 -1.731 2.689 1.00 0.00 C ATOM 777 CZ PHE A 50 16.290 -2.873 3.341 1.00 0.00 C ATOM 0 H PHE A 50 11.631 -3.742 4.612 1.00 0.00 H new ATOM 0 HA PHE A 50 11.966 -0.937 4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.631 -3.022 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.978 -1.338 2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.289 -4.241 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.189 -0.599 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.688 -4.670 4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.590 -1.024 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.345 -3.060 3.475 1.00 0.00 H new ATOM 787 N ILE A 51 9.038 -2.063 3.629 1.00 0.00 N ATOM 788 CA ILE A 51 7.670 -1.662 3.321 1.00 0.00 C ATOM 789 C ILE A 51 7.086 -0.815 4.449 1.00 0.00 C ATOM 790 O ILE A 51 6.472 0.228 4.208 1.00 0.00 O ATOM 791 CB ILE A 51 6.769 -2.890 3.089 1.00 0.00 C ATOM 792 CG1 ILE A 51 7.351 -3.768 1.977 1.00 0.00 C ATOM 793 CG2 ILE A 51 5.352 -2.454 2.746 1.00 0.00 C ATOM 794 CD1 ILE A 51 6.637 -5.093 1.810 1.00 0.00 C ATOM 0 H ILE A 51 9.173 -3.070 3.713 1.00 0.00 H new ATOM 0 HA ILE A 51 7.704 -1.070 2.406 1.00 0.00 H new ATOM 0 HB ILE A 51 6.730 -3.475 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.308 -3.221 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.403 -3.957 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.729 -3.334 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.943 -1.866 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.367 -1.850 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.105 -5.659 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.702 -5.661 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.590 -4.914 1.567 1.00 0.00 H new ATOM 806 N GLU A 52 7.282 -1.271 5.684 1.00 0.00 N ATOM 807 CA GLU A 52 6.781 -0.554 6.849 1.00 0.00 C ATOM 808 C GLU A 52 7.420 0.825 6.944 1.00 0.00 C ATOM 809 O GLU A 52 6.725 1.834 7.068 1.00 0.00 O ATOM 810 CB GLU A 52 7.055 -1.352 8.125 1.00 0.00 C ATOM 811 CG GLU A 52 6.297 -2.669 8.193 1.00 0.00 C ATOM 812 CD GLU A 52 6.632 -3.469 9.436 1.00 0.00 C ATOM 813 OE1 GLU A 52 6.139 -3.108 10.526 1.00 0.00 O ATOM 814 OE2 GLU A 52 7.385 -4.459 9.321 1.00 0.00 O ATOM 0 H GLU A 52 7.783 -2.132 5.901 1.00 0.00 H new ATOM 0 HA GLU A 52 5.704 -0.430 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.124 -1.553 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.788 -0.743 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.226 -2.469 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.528 -3.263 7.309 1.00 0.00 H new ATOM 821 N LYS A 53 8.750 0.861 6.885 1.00 0.00 N ATOM 822 CA LYS A 53 9.483 2.119 6.953 1.00 0.00 C ATOM 823 C LYS A 53 8.971 3.085 5.892 1.00 0.00 C ATOM 824 O LYS A 53 8.885 4.291 6.120 1.00 0.00 O ATOM 825 CB LYS A 53 10.983 1.875 6.761 1.00 0.00 C ATOM 826 CG LYS A 53 11.813 3.150 6.777 1.00 0.00 C ATOM 827 CD LYS A 53 13.286 2.860 6.535 1.00 0.00 C ATOM 828 CE LYS A 53 14.110 4.136 6.518 1.00 0.00 C ATOM 829 NZ LYS A 53 14.001 4.886 7.800 1.00 0.00 N ATOM 0 H LYS A 53 9.339 0.034 6.790 1.00 0.00 H new ATOM 0 HA LYS A 53 9.324 2.559 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.338 1.210 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.141 1.360 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.445 3.834 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.693 3.651 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.660 2.195 7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.404 2.337 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.155 3.891 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.778 4.771 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.736 5.621 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.063 5.330 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.128 4.231 8.597 1.00 0.00 H new ATOM 843 N TYR A 54 8.631 2.536 4.732 1.00 0.00 N ATOM 844 CA TYR A 54 8.115 3.328 3.622 1.00 0.00 C ATOM 845 C TYR A 54 6.828 4.046 4.020 1.00 0.00 C ATOM 846 O TYR A 54 6.768 5.274 4.022 1.00 0.00 O ATOM 847 CB TYR A 54 7.874 2.414 2.416 1.00 0.00 C ATOM 848 CG TYR A 54 6.915 2.963 1.380 1.00 0.00 C ATOM 849 CD1 TYR A 54 7.347 3.844 0.397 1.00 0.00 C ATOM 850 CD2 TYR A 54 5.579 2.578 1.374 1.00 0.00 C ATOM 851 CE1 TYR A 54 6.474 4.327 -0.561 1.00 0.00 C ATOM 852 CE2 TYR A 54 4.701 3.059 0.423 1.00 0.00 C ATOM 853 CZ TYR A 54 5.153 3.931 -0.543 1.00 0.00 C ATOM 854 OH TYR A 54 4.282 4.405 -1.496 1.00 0.00 O ATOM 0 H TYR A 54 8.704 1.538 4.535 1.00 0.00 H new ATOM 0 HA TYR A 54 8.849 4.088 3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.831 2.214 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.491 1.458 2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.381 4.157 0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.222 1.891 2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.825 5.011 -1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.665 2.753 0.436 1.00 0.00 H new ATOM 0 HH TYR A 54 4.161 5.370 -1.378 1.00 0.00 H new ATOM 864 N LYS A 55 5.807 3.276 4.372 1.00 0.00 N ATOM 865 CA LYS A 55 4.522 3.849 4.758 1.00 0.00 C ATOM 866 C LYS A 55 4.675 4.876 5.880 1.00 0.00 C ATOM 867 O LYS A 55 4.281 6.032 5.731 1.00 0.00 O ATOM 868 CB LYS A 55 3.555 2.748 5.194 1.00 0.00 C ATOM 869 CG LYS A 55 3.307 1.697 4.123 1.00 0.00 C ATOM 870 CD LYS A 55 2.166 0.759 4.500 1.00 0.00 C ATOM 871 CE LYS A 55 2.583 -0.252 5.562 1.00 0.00 C ATOM 872 NZ LYS A 55 2.809 0.383 6.890 1.00 0.00 N ATOM 0 H LYS A 55 5.842 2.257 4.399 1.00 0.00 H new ATOM 0 HA LYS A 55 4.118 4.360 3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.950 2.260 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.604 3.201 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.075 2.189 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.217 1.117 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.323 1.344 4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.823 0.230 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.812 -1.017 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.495 -0.755 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.417 -0.225 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.830 0.508 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.339 1.310 6.916 1.00 0.00 H new ATOM 886 N GLU A 56 5.254 4.451 6.997 1.00 0.00 N ATOM 887 CA GLU A 56 5.435 5.329 8.150 1.00 0.00 C ATOM 888 C GLU A 56 6.181 6.615 7.790 1.00 0.00 C ATOM 889 O GLU A 56 5.889 7.678 8.339 1.00 0.00 O ATOM 890 CB GLU A 56 6.176 4.593 9.267 1.00 0.00 C ATOM 891 CG GLU A 56 7.613 4.243 8.923 1.00 0.00 C ATOM 892 CD GLU A 56 8.310 3.478 10.031 1.00 0.00 C ATOM 893 OE1 GLU A 56 8.200 2.234 10.052 1.00 0.00 O ATOM 894 OE2 GLU A 56 8.965 4.121 10.878 1.00 0.00 O ATOM 0 H GLU A 56 5.607 3.503 7.130 1.00 0.00 H new ATOM 0 HA GLU A 56 4.441 5.612 8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.168 5.211 10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.636 3.677 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.629 3.648 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.166 5.159 8.716 1.00 0.00 H new ATOM 901 N CYS A 57 7.138 6.525 6.869 1.00 0.00 N ATOM 902 CA CYS A 57 7.914 7.697 6.471 1.00 0.00 C ATOM 903 C CYS A 57 7.191 8.494 5.391 1.00 0.00 C ATOM 904 O CYS A 57 7.543 9.641 5.114 1.00 0.00 O ATOM 905 CB CYS A 57 9.302 7.284 5.973 1.00 0.00 C ATOM 906 SG CYS A 57 9.324 6.621 4.291 1.00 0.00 S ATOM 0 H CYS A 57 7.393 5.662 6.389 1.00 0.00 H new ATOM 0 HA CYS A 57 8.028 8.331 7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 57 9.963 8.149 6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.710 6.535 6.651 1.00 0.00 H new ATOM 0 HG CYS A 57 8.212 5.988 4.059 1.00 0.00 H new ATOM 912 N MET A 58 6.181 7.881 4.785 1.00 0.00 N ATOM 913 CA MET A 58 5.415 8.533 3.729 1.00 0.00 C ATOM 914 C MET A 58 4.112 9.129 4.260 1.00 0.00 C ATOM 915 O MET A 58 3.992 10.346 4.399 1.00 0.00 O ATOM 916 CB MET A 58 5.123 7.542 2.604 1.00 0.00 C ATOM 917 CG MET A 58 6.362 7.141 1.821 1.00 0.00 C ATOM 918 SD MET A 58 7.134 8.537 0.981 1.00 0.00 S ATOM 919 CE MET A 58 8.561 7.744 0.244 1.00 0.00 C ATOM 0 H MET A 58 5.873 6.934 5.006 1.00 0.00 H new ATOM 0 HA MET A 58 6.018 9.353 3.340 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.663 6.648 3.026 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.396 7.982 1.921 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.084 6.685 2.499 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.093 6.383 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.141 8.481 -0.311 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.182 7.310 1.028 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.230 6.957 -0.434 1.00 0.00 H new ATOM 929 N LYS A 59 3.138 8.269 4.555 1.00 0.00 N ATOM 930 CA LYS A 59 1.848 8.730 5.062 1.00 0.00 C ATOM 931 C LYS A 59 1.975 9.331 6.460 1.00 0.00 C ATOM 932 O LYS A 59 1.013 9.881 6.996 1.00 0.00 O ATOM 933 CB LYS A 59 0.811 7.598 5.061 1.00 0.00 C ATOM 934 CG LYS A 59 1.303 6.275 5.634 1.00 0.00 C ATOM 935 CD LYS A 59 1.594 6.372 7.126 1.00 0.00 C ATOM 936 CE LYS A 59 1.800 5.000 7.748 1.00 0.00 C ATOM 937 NZ LYS A 59 0.554 4.185 7.722 1.00 0.00 N ATOM 0 H LYS A 59 3.217 7.257 4.452 1.00 0.00 H new ATOM 0 HA LYS A 59 1.502 9.513 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.060 7.922 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.478 7.432 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.553 5.503 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.206 5.966 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.484 6.981 7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.768 6.878 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.589 4.473 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.137 5.115 8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.629 3.415 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.260 4.787 7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.422 3.783 6.772 1.00 0.00 H new ATOM 951 N GLY A 60 3.165 9.224 7.044 1.00 0.00 N ATOM 952 CA GLY A 60 3.393 9.764 8.374 1.00 0.00 C ATOM 953 C GLY A 60 3.159 11.262 8.444 1.00 0.00 C ATOM 954 O GLY A 60 3.055 11.830 9.532 1.00 0.00 O ATOM 0 H GLY A 60 3.976 8.773 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.734 9.264 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.416 9.545 8.681 1.00 0.00 H new ATOM 958 N TYR A 61 3.076 11.901 7.281 1.00 0.00 N ATOM 959 CA TYR A 61 2.851 13.341 7.207 1.00 0.00 C ATOM 960 C TYR A 61 1.833 13.672 6.120 1.00 0.00 C ATOM 961 O TYR A 61 1.037 14.600 6.258 1.00 0.00 O ATOM 962 CB TYR A 61 4.170 14.068 6.931 1.00 0.00 C ATOM 963 CG TYR A 61 4.056 15.577 6.955 1.00 0.00 C ATOM 964 CD1 TYR A 61 4.192 16.282 8.144 1.00 0.00 C ATOM 965 CD2 TYR A 61 3.815 16.296 5.790 1.00 0.00 C ATOM 966 CE1 TYR A 61 4.091 17.661 8.173 1.00 0.00 C ATOM 967 CE2 TYR A 61 3.713 17.675 5.810 1.00 0.00 C ATOM 968 CZ TYR A 61 3.852 18.352 7.004 1.00 0.00 C ATOM 969 OH TYR A 61 3.751 19.724 7.028 1.00 0.00 O ATOM 0 H TYR A 61 3.162 11.442 6.374 1.00 0.00 H new ATOM 0 HA TYR A 61 2.455 13.677 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.907 13.757 7.672 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.548 13.758 5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.380 15.744 9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.706 15.769 4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.199 18.194 9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.526 18.219 4.896 1.00 0.00 H new ATOM 0 HH TYR A 61 3.582 20.056 6.121 1.00 0.00 H new ATOM 979 N GLY A 62 1.868 12.899 5.038 1.00 0.00 N ATOM 980 CA GLY A 62 0.948 13.115 3.937 1.00 0.00 C ATOM 981 C GLY A 62 0.951 11.963 2.953 1.00 0.00 C ATOM 982 O GLY A 62 0.401 10.898 3.236 1.00 0.00 O ATOM 0 H GLY A 62 2.519 12.125 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.060 13.252 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.216 14.035 3.417 1.00 0.00 H new ATOM 986 N PHE A 63 1.569 12.180 1.794 1.00 0.00 N ATOM 987 CA PHE A 63 1.653 11.153 0.756 1.00 0.00 C ATOM 988 C PHE A 63 0.261 10.668 0.343 1.00 0.00 C ATOM 989 O PHE A 63 -0.746 11.069 0.928 1.00 0.00 O ATOM 990 CB PHE A 63 2.507 9.981 1.256 1.00 0.00 C ATOM 991 CG PHE A 63 3.003 9.075 0.167 1.00 0.00 C ATOM 992 CD1 PHE A 63 4.078 9.445 -0.620 1.00 0.00 C ATOM 993 CD2 PHE A 63 2.398 7.850 -0.063 1.00 0.00 C ATOM 994 CE1 PHE A 63 4.544 8.614 -1.619 1.00 0.00 C ATOM 995 CE2 PHE A 63 2.860 7.014 -1.061 1.00 0.00 C ATOM 996 CZ PHE A 63 3.934 7.396 -1.840 1.00 0.00 C ATOM 0 H PHE A 63 2.021 13.061 1.549 1.00 0.00 H new ATOM 0 HA PHE A 63 2.125 11.589 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.363 10.377 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.921 9.394 1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.560 10.397 -0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.558 7.546 0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.384 8.916 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.381 6.061 -1.232 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.296 6.743 -2.621 1.00 0.00 H new ATOM 1006 N GLU A 64 0.208 9.814 -0.674 1.00 0.00 N ATOM 1007 CA GLU A 64 -1.060 9.281 -1.162 1.00 0.00 C ATOM 1008 C GLU A 64 -1.230 7.815 -0.774 1.00 0.00 C ATOM 1009 O GLU A 64 -0.552 6.937 -1.310 1.00 0.00 O ATOM 1010 CB GLU A 64 -1.146 9.424 -2.683 1.00 0.00 C ATOM 1011 CG GLU A 64 -0.954 10.849 -3.174 1.00 0.00 C ATOM 1012 CD GLU A 64 -2.048 11.785 -2.699 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -1.922 12.326 -1.581 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -3.031 11.975 -3.444 1.00 0.00 O ATOM 0 H GLU A 64 1.029 9.476 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.862 9.855 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.391 8.786 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.117 9.061 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.011 11.221 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.926 10.853 -4.264 1.00 0.00 H new ATOM 1021 N VAL A 65 -2.138 7.560 0.163 1.00 0.00 N ATOM 1022 CA VAL A 65 -2.410 6.202 0.624 1.00 0.00 C ATOM 1023 C VAL A 65 -3.915 5.986 0.800 1.00 0.00 C ATOM 1024 O VAL A 65 -4.601 6.833 1.374 1.00 0.00 O ATOM 1025 CB VAL A 65 -1.696 5.906 1.959 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -1.984 4.485 2.422 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -0.197 6.134 1.829 1.00 0.00 C ATOM 0 H VAL A 65 -2.700 8.279 0.620 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.028 5.520 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.083 6.594 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.470 4.298 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.058 4.359 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.631 3.779 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.288 5.920 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.206 5.475 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.009 7.171 1.552 1.00 0.00 H new ATOM 1037 N PRO A 66 -4.456 4.850 0.313 1.00 0.00 N ATOM 1038 CA PRO A 66 -5.884 4.548 0.425 1.00 0.00 C ATOM 1039 C PRO A 66 -6.294 4.250 1.865 1.00 0.00 C ATOM 1040 O PRO A 66 -5.444 4.109 2.744 1.00 0.00 O ATOM 1041 CB PRO A 66 -6.076 3.304 -0.459 1.00 0.00 C ATOM 1042 CG PRO A 66 -4.797 3.140 -1.217 1.00 0.00 C ATOM 1043 CD PRO A 66 -3.730 3.773 -0.373 1.00 0.00 C ATOM 0 HA PRO A 66 -6.500 5.392 0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.287 2.423 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.919 3.433 -1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.581 2.086 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.858 3.621 -2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.298 3.063 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.911 4.159 -0.979 1.00 0.00 H new ATOM 1051 N SER A 67 -7.599 4.155 2.098 1.00 0.00 N ATOM 1052 CA SER A 67 -8.118 3.876 3.432 1.00 0.00 C ATOM 1053 C SER A 67 -8.007 2.391 3.761 1.00 0.00 C ATOM 1054 O SER A 67 -7.973 1.548 2.864 1.00 0.00 O ATOM 1055 CB SER A 67 -9.575 4.328 3.541 1.00 0.00 C ATOM 1056 OG SER A 67 -9.696 5.722 3.319 1.00 0.00 O ATOM 0 H SER A 67 -8.316 4.267 1.381 1.00 0.00 H new ATOM 0 HA SER A 67 -7.518 4.434 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.182 3.787 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.963 4.079 4.529 1.00 0.00 H new ATOM 0 HG SER A 67 -10.637 5.984 3.393 1.00 0.00 H new ATOM 1062 N ALA A 68 -7.948 2.079 5.052 1.00 0.00 N ATOM 1063 CA ALA A 68 -7.840 0.696 5.500 1.00 0.00 C ATOM 1064 C ALA A 68 -9.204 0.013 5.508 1.00 0.00 C ATOM 1065 O ALA A 68 -9.305 -1.185 5.769 1.00 0.00 O ATOM 1066 CB ALA A 68 -7.209 0.637 6.882 1.00 0.00 C ATOM 0 H ALA A 68 -7.973 2.766 5.806 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.200 0.161 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.135 -0.402 7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.213 1.078 6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.827 1.192 7.588 1.00 0.00 H new ATOM 1072 N ASN A 69 -10.248 0.788 5.222 1.00 0.00 N ATOM 1073 CA ASN A 69 -11.612 0.264 5.196 1.00 0.00 C ATOM 1074 C ASN A 69 -11.976 -0.369 6.538 1.00 0.00 C ATOM 1075 O ASN A 69 -12.466 0.365 7.422 1.00 0.00 O ATOM 1076 CB ASN A 69 -11.763 -0.762 4.066 1.00 0.00 C ATOM 1077 CG ASN A 69 -13.203 -0.937 3.616 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -14.143 -0.789 4.542 1.00 0.00 O flip ATOM 1079 ND2 ASN A 69 -13.466 -1.207 2.444 1.00 0.00 N flip ATOM 1080 OXT ASN A 69 -11.770 -1.590 6.693 1.00 0.00 O ATOM 0 H ASN A 69 -10.175 1.782 5.005 1.00 0.00 H new ATOM 0 HA ASN A 69 -12.295 1.094 5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.157 -0.450 3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.373 -1.723 4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.713 -1.312 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.437 -1.325 2.153 1.00 0.00 H new TER 1087 ASN A 69 HETATM 1088 CU CU1 A 70 6.513 7.110 -7.471 1.00 0.00 CU