USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 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 67 THR OG1 : rot 133:sc= 1.41 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.911 USER MOD Set 1.3: A 70 SER OG : rot 79:sc= 0.0657 USER MOD Set 2.1: A 43 CYS SG : rot 78:sc= 0.103 USER MOD Set 2.2: A 50 MET CE :methyl -164:sc=-0.00496 (180deg=-0.288) USER MOD Set 3.1: A 12 HIS : no HE2:sc= 0.443 K(o=1.8,f=-4.8!) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 162:sc= 1.34 (180deg=-0.613) USER MOD Set 4.1: A 16 LYS NZ :NH3+ 156:sc= 1.28 (180deg=0) USER MOD Set 4.2: A 26 GLN : amide:sc= 1.1 K(o=2.4,f=-6.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.131) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= 1.99 (180deg=1.07) USER MOD Single : A 10 THR OG1 : rot -4:sc= 1.16 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 20 GLN : amide:sc= 0.0818 X(o=0.082,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.72 K(o=-0.72,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= -0.013 (180deg=-0.168) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.26) USER MOD Single : A 32 HIS : no HE2:sc= -0.658 X(o=-0.66,f=-0.62) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -156:sc= -0.0112 (180deg=-0.188) USER MOD Single : A 40 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.013) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 60 GLN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 177:sc= 0 (180deg=-0.0141) USER MOD Single : A 78 THR OG1 : rot 40:sc= 0.0685 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.602 K(o=0.6,f=-0.85) USER MOD Single : A 84 GLN : amide:sc= 0.182 K(o=0.18,f=-4!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 86 THR OG1 : rot 74:sc= 0.684 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.376 -12.775 -23.446 1.00 0.00 N ATOM 2 CA MET A 1 8.110 -13.240 -24.657 1.00 0.00 C ATOM 3 C MET A 1 9.356 -12.406 -24.838 1.00 0.00 C ATOM 4 O MET A 1 10.444 -12.862 -24.503 1.00 0.00 O ATOM 5 CB MET A 1 7.181 -13.213 -25.897 1.00 0.00 C ATOM 6 CG MET A 1 6.013 -14.219 -25.817 1.00 0.00 C ATOM 7 SD MET A 1 4.904 -14.125 -27.251 1.00 0.00 S ATOM 8 CE MET A 1 3.840 -15.477 -26.689 1.00 0.00 C ATOM 0 H1 MET A 1 6.637 -13.465 -23.201 1.00 0.00 H new ATOM 0 H2 MET A 1 8.041 -12.683 -22.651 1.00 0.00 H new ATOM 0 H3 MET A 1 6.937 -11.852 -23.639 1.00 0.00 H new ATOM 0 HA MET A 1 8.424 -14.276 -24.531 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.776 -12.208 -26.015 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.772 -13.425 -26.788 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.414 -15.229 -25.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.441 -14.033 -24.908 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.042 -15.638 -27.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.430 -16.388 -26.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.406 -15.221 -25.723 1.00 0.00 H new ATOM 20 N SER A 2 9.232 -11.132 -25.266 1.00 0.00 N ATOM 21 CA SER A 2 10.316 -10.173 -25.086 1.00 0.00 C ATOM 22 C SER A 2 10.332 -9.709 -23.633 1.00 0.00 C ATOM 23 O SER A 2 9.360 -9.906 -22.895 1.00 0.00 O ATOM 24 CB SER A 2 10.180 -8.952 -26.042 1.00 0.00 C ATOM 25 OG SER A 2 11.348 -8.128 -26.030 1.00 0.00 O ATOM 0 H SER A 2 8.404 -10.759 -25.729 1.00 0.00 H new ATOM 0 HA SER A 2 11.256 -10.667 -25.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.996 -9.305 -27.057 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.314 -8.358 -25.750 1.00 0.00 H new ATOM 0 HG SER A 2 11.223 -7.374 -26.644 1.00 0.00 H new ATOM 31 N ASP A 3 11.434 -9.094 -23.167 1.00 0.00 N ATOM 32 CA ASP A 3 11.564 -8.608 -21.808 1.00 0.00 C ATOM 33 C ASP A 3 10.868 -7.251 -21.651 1.00 0.00 C ATOM 34 O ASP A 3 11.476 -6.192 -21.501 1.00 0.00 O ATOM 35 CB ASP A 3 13.051 -8.542 -21.361 1.00 0.00 C ATOM 36 CG ASP A 3 13.660 -9.908 -21.125 1.00 0.00 C ATOM 37 OD1 ASP A 3 13.014 -10.962 -21.363 1.00 0.00 O ATOM 38 OD2 ASP A 3 14.814 -9.956 -20.624 1.00 0.00 O ATOM 0 H ASP A 3 12.260 -8.925 -23.741 1.00 0.00 H new ATOM 0 HA ASP A 3 11.067 -9.320 -21.149 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.630 -8.019 -22.122 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.124 -7.955 -20.445 1.00 0.00 H new ATOM 43 N GLU A 4 9.521 -7.281 -21.685 1.00 0.00 N ATOM 44 CA GLU A 4 8.660 -6.181 -21.301 1.00 0.00 C ATOM 45 C GLU A 4 8.451 -6.233 -19.794 1.00 0.00 C ATOM 46 O GLU A 4 8.941 -5.393 -19.044 1.00 0.00 O ATOM 47 CB GLU A 4 7.293 -6.241 -22.046 1.00 0.00 C ATOM 48 CG GLU A 4 6.319 -5.082 -21.695 1.00 0.00 C ATOM 49 CD GLU A 4 4.928 -5.276 -22.273 1.00 0.00 C ATOM 50 OE1 GLU A 4 4.264 -6.289 -21.943 1.00 0.00 O ATOM 51 OE2 GLU A 4 4.468 -4.404 -23.062 1.00 0.00 O ATOM 0 H GLU A 4 9.001 -8.103 -21.992 1.00 0.00 H new ATOM 0 HA GLU A 4 9.135 -5.241 -21.580 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.478 -6.231 -23.120 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.808 -7.189 -21.815 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.246 -4.992 -20.611 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.732 -4.144 -22.065 1.00 0.00 H new ATOM 58 N LYS A 5 7.708 -7.241 -19.308 1.00 0.00 N ATOM 59 CA LYS A 5 7.321 -7.343 -17.914 1.00 0.00 C ATOM 60 C LYS A 5 8.309 -8.123 -17.057 1.00 0.00 C ATOM 61 O LYS A 5 8.803 -7.629 -16.048 1.00 0.00 O ATOM 62 CB LYS A 5 5.884 -7.911 -17.824 1.00 0.00 C ATOM 63 CG LYS A 5 4.887 -6.937 -18.480 1.00 0.00 C ATOM 64 CD LYS A 5 3.406 -7.326 -18.367 1.00 0.00 C ATOM 65 CE LYS A 5 2.994 -8.478 -19.285 1.00 0.00 C ATOM 66 NZ LYS A 5 1.527 -8.565 -19.356 1.00 0.00 N ATOM 0 H LYS A 5 7.363 -8.008 -19.886 1.00 0.00 H new ATOM 0 HA LYS A 5 7.337 -6.338 -17.491 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.836 -8.881 -18.320 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.613 -8.073 -16.781 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.021 -5.952 -18.032 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.140 -6.843 -19.536 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.191 -7.603 -17.335 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.793 -6.454 -18.597 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.406 -8.324 -20.282 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.405 -9.416 -18.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.256 -9.350 -19.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.143 -8.732 -18.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.144 -7.674 -19.732 1.00 0.00 H new ATOM 80 N LYS A 6 8.636 -9.381 -17.422 1.00 0.00 N ATOM 81 CA LYS A 6 9.553 -10.195 -16.643 1.00 0.00 C ATOM 82 C LYS A 6 11.022 -9.836 -16.890 1.00 0.00 C ATOM 83 O LYS A 6 11.553 -9.977 -17.992 1.00 0.00 O ATOM 84 CB LYS A 6 9.286 -11.710 -16.858 1.00 0.00 C ATOM 85 CG LYS A 6 9.573 -12.275 -18.262 1.00 0.00 C ATOM 86 CD LYS A 6 10.661 -13.373 -18.250 1.00 0.00 C ATOM 87 CE LYS A 6 11.686 -13.274 -19.390 1.00 0.00 C ATOM 88 NZ LYS A 6 12.690 -12.234 -19.094 1.00 0.00 N ATOM 0 H LYS A 6 8.270 -9.843 -18.255 1.00 0.00 H new ATOM 0 HA LYS A 6 9.358 -9.968 -15.595 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.888 -12.266 -16.139 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.241 -11.908 -16.620 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.653 -12.685 -18.680 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.888 -11.464 -18.919 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.191 -13.330 -17.298 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.175 -14.347 -18.300 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.180 -14.236 -19.527 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.177 -13.041 -20.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.191 -11.977 -19.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.215 -11.394 -18.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.372 -12.598 -18.398 1.00 0.00 H new ATOM 102 N GLY A 7 11.731 -9.345 -15.862 1.00 0.00 N ATOM 103 CA GLY A 7 13.092 -8.856 -16.045 1.00 0.00 C ATOM 104 C GLY A 7 13.810 -8.716 -14.740 1.00 0.00 C ATOM 105 O GLY A 7 14.313 -9.694 -14.192 1.00 0.00 O ATOM 0 H GLY A 7 11.382 -9.279 -14.906 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.641 -9.541 -16.691 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.067 -7.891 -16.552 1.00 0.00 H new ATOM 109 N GLY A 8 13.880 -7.486 -14.200 1.00 0.00 N ATOM 110 CA GLY A 8 14.565 -7.164 -12.950 1.00 0.00 C ATOM 111 C GLY A 8 13.775 -7.577 -11.745 1.00 0.00 C ATOM 112 O GLY A 8 12.924 -6.838 -11.255 1.00 0.00 O ATOM 0 H GLY A 8 13.448 -6.672 -14.638 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.536 -7.659 -12.932 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.754 -6.091 -12.908 1.00 0.00 H new ATOM 116 N GLU A 9 14.040 -8.795 -11.250 1.00 0.00 N ATOM 117 CA GLU A 9 13.270 -9.407 -10.190 1.00 0.00 C ATOM 118 C GLU A 9 14.030 -9.346 -8.871 1.00 0.00 C ATOM 119 O GLU A 9 14.075 -8.306 -8.214 1.00 0.00 O ATOM 120 CB GLU A 9 12.859 -10.839 -10.615 1.00 0.00 C ATOM 121 CG GLU A 9 11.568 -11.356 -9.930 1.00 0.00 C ATOM 122 CD GLU A 9 10.359 -10.569 -10.393 1.00 0.00 C ATOM 123 OE1 GLU A 9 10.108 -10.497 -11.627 1.00 0.00 O ATOM 124 OE2 GLU A 9 9.627 -9.980 -9.560 1.00 0.00 O ATOM 0 H GLU A 9 14.806 -9.378 -11.587 1.00 0.00 H new ATOM 0 HA GLU A 9 12.348 -8.852 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.717 -10.859 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.677 -11.523 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.428 -12.413 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.668 -11.274 -8.848 1.00 0.00 H new ATOM 131 N THR A 10 14.688 -10.442 -8.442 1.00 0.00 N ATOM 132 CA THR A 10 15.465 -10.543 -7.206 1.00 0.00 C ATOM 133 C THR A 10 14.609 -10.520 -5.942 1.00 0.00 C ATOM 134 O THR A 10 13.810 -11.427 -5.722 1.00 0.00 O ATOM 135 CB THR A 10 16.746 -9.705 -7.126 1.00 0.00 C ATOM 136 OG1 THR A 10 16.499 -8.305 -7.155 1.00 0.00 O ATOM 137 CG2 THR A 10 17.633 -10.020 -8.345 1.00 0.00 C ATOM 0 H THR A 10 14.688 -11.312 -8.974 1.00 0.00 H new ATOM 0 HA THR A 10 15.874 -11.552 -7.263 1.00 0.00 H new ATOM 0 HB THR A 10 17.221 -9.961 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.541 -8.144 -7.287 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.546 -9.427 -8.294 1.00 0.00 H new ATOM 0 HG22 THR A 10 17.888 -11.080 -8.345 1.00 0.00 H new ATOM 0 HG23 THR A 10 17.093 -9.777 -9.260 1.00 0.00 H new ATOM 145 N GLU A 11 14.756 -9.519 -5.061 1.00 0.00 N ATOM 146 CA GLU A 11 14.135 -9.536 -3.747 1.00 0.00 C ATOM 147 C GLU A 11 12.798 -8.789 -3.668 1.00 0.00 C ATOM 148 O GLU A 11 12.735 -7.596 -3.359 1.00 0.00 O ATOM 149 CB GLU A 11 15.145 -8.980 -2.722 1.00 0.00 C ATOM 150 CG GLU A 11 14.801 -9.347 -1.263 1.00 0.00 C ATOM 151 CD GLU A 11 15.885 -8.879 -0.318 1.00 0.00 C ATOM 152 OE1 GLU A 11 17.058 -9.304 -0.493 1.00 0.00 O ATOM 153 OE2 GLU A 11 15.587 -8.102 0.625 1.00 0.00 O ATOM 0 H GLU A 11 15.308 -8.682 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 11 13.882 -10.572 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.139 -9.359 -2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.187 -7.895 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.850 -8.894 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.677 -10.426 -1.175 1.00 0.00 H new ATOM 160 N HIS A 12 11.673 -9.480 -3.951 1.00 0.00 N ATOM 161 CA HIS A 12 10.339 -8.888 -4.012 1.00 0.00 C ATOM 162 C HIS A 12 9.345 -9.491 -3.031 1.00 0.00 C ATOM 163 O HIS A 12 9.534 -10.580 -2.501 1.00 0.00 O ATOM 164 CB HIS A 12 9.734 -9.039 -5.435 1.00 0.00 C ATOM 165 CG HIS A 12 10.207 -7.996 -6.401 1.00 0.00 C ATOM 166 ND1 HIS A 12 9.881 -6.666 -6.275 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.904 -8.101 -7.561 1.00 0.00 C ATOM 168 CE1 HIS A 12 10.380 -6.026 -7.357 1.00 0.00 C ATOM 169 NE2 HIS A 12 11.006 -6.856 -8.171 1.00 0.00 N ATOM 0 H HIS A 12 11.677 -10.481 -4.145 1.00 0.00 H new ATOM 0 HA HIS A 12 10.490 -7.842 -3.745 1.00 0.00 H new ATOM 0 HB2 HIS A 12 9.986 -10.025 -5.825 1.00 0.00 H new ATOM 0 HB3 HIS A 12 8.647 -8.992 -5.366 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.360 -6.241 -5.508 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.319 -9.018 -7.953 1.00 0.00 H new ATOM 0 HE1 HIS A 12 10.279 -4.965 -7.534 1.00 0.00 H new ATOM 177 N ILE A 13 8.229 -8.767 -2.793 1.00 0.00 N ATOM 178 CA ILE A 13 6.998 -9.293 -2.206 1.00 0.00 C ATOM 179 C ILE A 13 5.833 -8.890 -3.100 1.00 0.00 C ATOM 180 O ILE A 13 5.997 -8.085 -4.018 1.00 0.00 O ATOM 181 CB ILE A 13 6.715 -8.836 -0.783 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.875 -7.313 -0.614 1.00 0.00 C ATOM 183 CG2 ILE A 13 7.622 -9.634 0.159 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.228 -6.806 0.678 1.00 0.00 C ATOM 0 H ILE A 13 8.168 -7.773 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 13 7.125 -10.374 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 13 5.672 -9.034 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.935 -7.058 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.426 -6.805 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.439 -9.325 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.408 -10.698 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.665 -9.447 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.366 -5.727 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.163 -7.036 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.695 -7.293 1.534 1.00 0.00 H new ATOM 196 N ASN A 14 4.627 -9.448 -2.868 1.00 0.00 N ATOM 197 CA ASN A 14 3.533 -9.417 -3.824 1.00 0.00 C ATOM 198 C ASN A 14 2.218 -9.078 -3.137 1.00 0.00 C ATOM 199 O ASN A 14 1.445 -9.962 -2.762 1.00 0.00 O ATOM 200 CB ASN A 14 3.392 -10.794 -4.529 1.00 0.00 C ATOM 201 CG ASN A 14 4.491 -10.951 -5.571 1.00 0.00 C ATOM 202 OD1 ASN A 14 4.427 -10.307 -6.623 1.00 0.00 O ATOM 203 ND2 ASN A 14 5.495 -11.816 -5.318 1.00 0.00 N ATOM 0 H ASN A 14 4.397 -9.933 -2.001 1.00 0.00 H new ATOM 0 HA ASN A 14 3.760 -8.647 -4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.456 -11.597 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.414 -10.872 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.234 -11.955 -6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.515 -12.331 -4.438 1.00 0.00 H new ATOM 210 N LEU A 15 1.916 -7.773 -2.985 1.00 0.00 N ATOM 211 CA LEU A 15 0.774 -7.295 -2.229 1.00 0.00 C ATOM 212 C LEU A 15 -0.567 -7.542 -2.906 1.00 0.00 C ATOM 213 O LEU A 15 -0.736 -7.398 -4.116 1.00 0.00 O ATOM 214 CB LEU A 15 0.845 -5.780 -1.880 1.00 0.00 C ATOM 215 CG LEU A 15 1.871 -5.375 -0.795 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.330 -5.451 -1.263 1.00 0.00 C ATOM 217 CD2 LEU A 15 1.559 -3.971 -0.250 1.00 0.00 C ATOM 0 H LEU A 15 2.474 -7.024 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 15 0.833 -7.888 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.076 -5.229 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.144 -5.457 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 15 1.767 -6.111 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.990 -5.153 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.563 -6.473 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.475 -4.782 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.292 -3.705 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.602 -3.247 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.561 -3.964 0.189 1.00 0.00 H new ATOM 229 N LYS A 16 -1.565 -7.909 -2.085 1.00 0.00 N ATOM 230 CA LYS A 16 -2.934 -8.173 -2.457 1.00 0.00 C ATOM 231 C LYS A 16 -3.806 -7.118 -1.802 1.00 0.00 C ATOM 232 O LYS A 16 -4.051 -7.152 -0.598 1.00 0.00 O ATOM 233 CB LYS A 16 -3.368 -9.573 -1.948 1.00 0.00 C ATOM 234 CG LYS A 16 -2.416 -10.714 -2.343 1.00 0.00 C ATOM 235 CD LYS A 16 -2.423 -11.014 -3.846 1.00 0.00 C ATOM 236 CE LYS A 16 -1.344 -12.026 -4.232 1.00 0.00 C ATOM 237 NZ LYS A 16 -1.620 -12.526 -5.580 1.00 0.00 N ATOM 0 H LYS A 16 -1.410 -8.032 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.035 -8.147 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.448 -9.543 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.362 -9.795 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.403 -10.456 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.694 -11.616 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.401 -11.399 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.268 -10.089 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.360 -11.559 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.330 -12.851 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.738 -12.872 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.308 -13.304 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.010 -11.758 -6.162 1.00 0.00 H new ATOM 251 N VAL A 17 -4.275 -6.125 -2.575 1.00 0.00 N ATOM 252 CA VAL A 17 -4.940 -4.959 -2.031 1.00 0.00 C ATOM 253 C VAL A 17 -6.434 -5.058 -2.258 1.00 0.00 C ATOM 254 O VAL A 17 -6.936 -4.954 -3.378 1.00 0.00 O ATOM 255 CB VAL A 17 -4.403 -3.658 -2.608 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.062 -2.454 -1.906 1.00 0.00 C ATOM 257 CG2 VAL A 17 -2.877 -3.615 -2.401 1.00 0.00 C ATOM 0 H VAL A 17 -4.197 -6.120 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.734 -4.941 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.634 -3.607 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.670 -1.528 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.141 -2.492 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.841 -2.489 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.480 -2.686 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.653 -3.666 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.417 -4.462 -2.910 1.00 0.00 H new ATOM 267 N LEU A 18 -7.200 -5.275 -1.181 1.00 0.00 N ATOM 268 CA LEU A 18 -8.638 -5.400 -1.242 1.00 0.00 C ATOM 269 C LEU A 18 -9.298 -4.026 -1.252 1.00 0.00 C ATOM 270 O LEU A 18 -9.449 -3.376 -0.219 1.00 0.00 O ATOM 271 CB LEU A 18 -9.224 -6.232 -0.067 1.00 0.00 C ATOM 272 CG LEU A 18 -8.909 -7.747 -0.081 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.480 -8.085 0.375 1.00 0.00 C ATOM 274 CD2 LEU A 18 -9.911 -8.486 0.817 1.00 0.00 C ATOM 0 H LEU A 18 -6.822 -5.368 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.855 -5.930 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.853 -5.813 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.307 -6.107 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.994 -8.071 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.332 -9.164 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.763 -7.598 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.331 -7.732 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.690 -9.553 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.833 -8.108 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.922 -8.322 0.445 1.00 0.00 H new ATOM 286 N GLY A 19 -9.722 -3.548 -2.439 1.00 0.00 N ATOM 287 CA GLY A 19 -10.563 -2.361 -2.552 1.00 0.00 C ATOM 288 C GLY A 19 -11.951 -2.629 -2.047 1.00 0.00 C ATOM 289 O GLY A 19 -12.651 -3.518 -2.525 1.00 0.00 O ATOM 0 H GLY A 19 -9.488 -3.977 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.119 -1.542 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.607 -2.041 -3.593 1.00 0.00 H new ATOM 293 N GLN A 20 -12.387 -1.857 -1.038 1.00 0.00 N ATOM 294 CA GLN A 20 -13.645 -2.050 -0.334 1.00 0.00 C ATOM 295 C GLN A 20 -14.889 -1.705 -1.167 1.00 0.00 C ATOM 296 O GLN A 20 -16.022 -2.063 -0.849 1.00 0.00 O ATOM 297 CB GLN A 20 -13.575 -1.225 0.973 1.00 0.00 C ATOM 298 CG GLN A 20 -14.562 -1.685 2.066 1.00 0.00 C ATOM 299 CD GLN A 20 -14.441 -0.822 3.320 1.00 0.00 C ATOM 300 OE1 GLN A 20 -15.261 0.071 3.550 1.00 0.00 O ATOM 301 NE2 GLN A 20 -13.403 -1.063 4.151 1.00 0.00 N ATOM 0 H GLN A 20 -11.852 -1.062 -0.687 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.765 -3.112 -0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.561 -1.279 1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.771 -0.178 0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.581 -1.634 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.368 -2.727 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.740 -1.808 3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.282 -0.500 4.993 1.00 0.00 H new ATOM 310 N ASP A 21 -14.683 -1.044 -2.318 1.00 0.00 N ATOM 311 CA ASP A 21 -15.635 -0.826 -3.385 1.00 0.00 C ATOM 312 C ASP A 21 -15.909 -2.097 -4.206 1.00 0.00 C ATOM 313 O ASP A 21 -16.951 -2.227 -4.846 1.00 0.00 O ATOM 314 CB ASP A 21 -15.108 0.324 -4.299 1.00 0.00 C ATOM 315 CG ASP A 21 -13.700 0.120 -4.842 1.00 0.00 C ATOM 316 OD1 ASP A 21 -12.983 -0.821 -4.419 1.00 0.00 O ATOM 317 OD2 ASP A 21 -13.290 0.948 -5.696 1.00 0.00 O ATOM 0 H ASP A 21 -13.778 -0.624 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.589 -0.545 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.792 0.442 -5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.132 1.256 -3.735 1.00 0.00 H new ATOM 322 N ASN A 22 -14.951 -3.052 -4.148 1.00 0.00 N ATOM 323 CA ASN A 22 -14.833 -4.349 -4.804 1.00 0.00 C ATOM 324 C ASN A 22 -13.737 -4.309 -5.871 1.00 0.00 C ATOM 325 O ASN A 22 -13.606 -5.229 -6.685 1.00 0.00 O ATOM 326 CB ASN A 22 -16.133 -5.005 -5.379 1.00 0.00 C ATOM 327 CG ASN A 22 -17.192 -5.413 -4.348 1.00 0.00 C ATOM 328 OD1 ASN A 22 -18.150 -6.113 -4.703 1.00 0.00 O ATOM 329 ND2 ASN A 22 -17.049 -5.018 -3.068 1.00 0.00 N ATOM 0 H ASN A 22 -14.137 -2.894 -3.554 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.572 -5.014 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.588 -4.307 -6.082 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.849 -5.890 -5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.738 -5.295 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.252 -4.442 -2.798 1.00 0.00 H new ATOM 336 N ALA A 23 -12.876 -3.269 -5.881 1.00 0.00 N ATOM 337 CA ALA A 23 -11.708 -3.208 -6.736 1.00 0.00 C ATOM 338 C ALA A 23 -10.494 -3.898 -6.113 1.00 0.00 C ATOM 339 O ALA A 23 -9.547 -3.271 -5.650 1.00 0.00 O ATOM 340 CB ALA A 23 -11.372 -1.737 -7.050 1.00 0.00 C ATOM 0 H ALA A 23 -12.988 -2.449 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.946 -3.742 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.493 -1.694 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.217 -1.271 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.168 -1.204 -6.121 1.00 0.00 H new ATOM 346 N VAL A 24 -10.474 -5.245 -6.095 1.00 0.00 N ATOM 347 CA VAL A 24 -9.350 -6.003 -5.559 1.00 0.00 C ATOM 348 C VAL A 24 -8.189 -6.045 -6.550 1.00 0.00 C ATOM 349 O VAL A 24 -8.268 -6.674 -7.605 1.00 0.00 O ATOM 350 CB VAL A 24 -9.745 -7.418 -5.143 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.555 -8.125 -4.457 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.947 -7.349 -4.177 1.00 0.00 C ATOM 0 H VAL A 24 -11.234 -5.825 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.025 -5.479 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.023 -7.989 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.850 -9.133 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.715 -8.179 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.259 -7.563 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.232 -8.358 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.671 -6.773 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.788 -6.868 -4.676 1.00 0.00 H new ATOM 362 N VAL A 25 -7.079 -5.349 -6.245 1.00 0.00 N ATOM 363 CA VAL A 25 -5.930 -5.204 -7.130 1.00 0.00 C ATOM 364 C VAL A 25 -4.686 -5.809 -6.499 1.00 0.00 C ATOM 365 O VAL A 25 -4.693 -6.286 -5.366 1.00 0.00 O ATOM 366 CB VAL A 25 -5.673 -3.755 -7.554 1.00 0.00 C ATOM 367 CG1 VAL A 25 -6.909 -3.232 -8.312 1.00 0.00 C ATOM 368 CG2 VAL A 25 -5.362 -2.855 -6.344 1.00 0.00 C ATOM 0 H VAL A 25 -6.962 -4.865 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.172 -5.752 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.799 -3.730 -8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.738 -2.200 -8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.083 -3.849 -9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.781 -3.276 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.185 -1.835 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.207 -2.866 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.473 -3.226 -5.834 1.00 0.00 H new ATOM 378 N GLN A 26 -3.559 -5.840 -7.230 1.00 0.00 N ATOM 379 CA GLN A 26 -2.345 -6.442 -6.725 1.00 0.00 C ATOM 380 C GLN A 26 -1.146 -5.914 -7.484 1.00 0.00 C ATOM 381 O GLN A 26 -1.282 -5.367 -8.579 1.00 0.00 O ATOM 382 CB GLN A 26 -2.404 -7.992 -6.796 1.00 0.00 C ATOM 383 CG GLN A 26 -2.660 -8.563 -8.208 1.00 0.00 C ATOM 384 CD GLN A 26 -2.954 -10.057 -8.111 1.00 0.00 C ATOM 385 OE1 GLN A 26 -2.151 -10.844 -7.615 1.00 0.00 O ATOM 386 NE2 GLN A 26 -4.138 -10.478 -8.608 1.00 0.00 N ATOM 0 H GLN A 26 -3.478 -5.452 -8.170 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.245 -6.169 -5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.464 -8.396 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.191 -8.343 -6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.500 -8.046 -8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.790 -8.394 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.788 -9.806 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.381 -11.468 -8.576 1.00 0.00 H new ATOM 395 N PHE A 27 0.055 -6.034 -6.894 1.00 0.00 N ATOM 396 CA PHE A 27 1.281 -5.526 -7.483 1.00 0.00 C ATOM 397 C PHE A 27 2.480 -6.148 -6.783 1.00 0.00 C ATOM 398 O PHE A 27 2.330 -7.071 -5.986 1.00 0.00 O ATOM 399 CB PHE A 27 1.352 -3.964 -7.495 1.00 0.00 C ATOM 400 CG PHE A 27 0.985 -3.358 -6.166 1.00 0.00 C ATOM 401 CD1 PHE A 27 1.901 -3.336 -5.102 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.287 -2.794 -5.974 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.551 -2.772 -3.870 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.636 -2.215 -4.749 1.00 0.00 C ATOM 405 CZ PHE A 27 0.281 -2.213 -3.692 1.00 0.00 C ATOM 0 H PHE A 27 0.191 -6.490 -5.992 1.00 0.00 H new ATOM 0 HA PHE A 27 1.294 -5.820 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.360 -3.652 -7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.681 -3.579 -8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.886 -3.759 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.004 -2.807 -6.781 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.261 -2.768 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.612 -1.770 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.009 -1.781 -2.740 1.00 0.00 H new ATOM 415 N LYS A 28 3.710 -5.673 -7.067 1.00 0.00 N ATOM 416 CA LYS A 28 4.892 -6.078 -6.329 1.00 0.00 C ATOM 417 C LYS A 28 5.687 -4.863 -5.868 1.00 0.00 C ATOM 418 O LYS A 28 5.643 -3.788 -6.471 1.00 0.00 O ATOM 419 CB LYS A 28 5.797 -7.044 -7.138 1.00 0.00 C ATOM 420 CG LYS A 28 6.415 -6.465 -8.419 1.00 0.00 C ATOM 421 CD LYS A 28 7.460 -7.414 -9.033 1.00 0.00 C ATOM 422 CE LYS A 28 8.164 -6.804 -10.249 1.00 0.00 C ATOM 423 NZ LYS A 28 9.386 -7.550 -10.599 1.00 0.00 N ATOM 0 H LYS A 28 3.896 -5.002 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 28 4.542 -6.625 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.604 -7.384 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.211 -7.923 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.627 -6.273 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.883 -5.506 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.203 -7.669 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.973 -8.344 -9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.483 -6.800 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.419 -5.765 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.667 -7.318 -11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.152 -7.288 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.203 -8.571 -10.525 1.00 0.00 H new ATOM 437 N ILE A 29 6.443 -5.005 -4.765 1.00 0.00 N ATOM 438 CA ILE A 29 7.375 -3.995 -4.278 1.00 0.00 C ATOM 439 C ILE A 29 8.657 -4.730 -3.932 1.00 0.00 C ATOM 440 O ILE A 29 8.662 -5.955 -3.813 1.00 0.00 O ATOM 441 CB ILE A 29 6.817 -3.164 -3.113 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.648 -1.890 -2.810 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.620 -4.036 -1.859 1.00 0.00 C ATOM 444 CD1 ILE A 29 6.984 -0.955 -1.793 1.00 0.00 C ATOM 0 H ILE A 29 6.417 -5.842 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 29 7.561 -3.245 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 29 5.840 -2.802 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.628 -2.186 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.814 -1.345 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.224 -3.424 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.919 -4.841 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.577 -4.462 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.620 -0.085 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.016 -0.630 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.843 -1.484 -0.851 1.00 0.00 H new ATOM 456 N LYS A 30 9.801 -4.033 -3.822 1.00 0.00 N ATOM 457 CA LYS A 30 11.067 -4.628 -3.438 1.00 0.00 C ATOM 458 C LYS A 30 11.120 -4.702 -1.921 1.00 0.00 C ATOM 459 O LYS A 30 10.611 -3.809 -1.252 1.00 0.00 O ATOM 460 CB LYS A 30 12.228 -3.736 -3.946 1.00 0.00 C ATOM 461 CG LYS A 30 13.580 -4.449 -4.106 1.00 0.00 C ATOM 462 CD LYS A 30 13.672 -5.177 -5.461 1.00 0.00 C ATOM 463 CE LYS A 30 15.038 -5.798 -5.785 1.00 0.00 C ATOM 464 NZ LYS A 30 16.104 -4.785 -5.744 1.00 0.00 N ATOM 0 H LYS A 30 9.860 -3.031 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 30 11.161 -5.625 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.944 -3.311 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.354 -2.903 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.389 -3.722 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.714 -5.166 -3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.920 -5.965 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.416 -4.471 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.259 -6.592 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.007 -6.258 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.977 -5.184 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.816 -3.955 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.274 -4.499 -4.759 1.00 0.00 H new ATOM 478 N LYS A 31 11.725 -5.738 -1.300 1.00 0.00 N ATOM 479 CA LYS A 31 11.668 -5.845 0.158 1.00 0.00 C ATOM 480 C LYS A 31 12.451 -4.757 0.894 1.00 0.00 C ATOM 481 O LYS A 31 12.146 -4.392 2.026 1.00 0.00 O ATOM 482 CB LYS A 31 12.076 -7.247 0.685 1.00 0.00 C ATOM 483 CG LYS A 31 11.213 -8.368 0.083 1.00 0.00 C ATOM 484 CD LYS A 31 11.343 -9.755 0.756 1.00 0.00 C ATOM 485 CE LYS A 31 10.591 -9.889 2.093 1.00 0.00 C ATOM 486 NZ LYS A 31 10.393 -11.302 2.461 1.00 0.00 N ATOM 0 H LYS A 31 12.238 -6.482 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 31 10.613 -5.691 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.124 -7.431 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.986 -7.265 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.168 -8.060 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.470 -8.472 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.973 -10.515 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.399 -9.965 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.151 -9.382 2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.624 -9.392 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.742 -11.362 3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.990 -11.818 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.307 -11.725 2.720 1.00 0.00 H new ATOM 500 N HIS A 32 13.467 -4.189 0.226 1.00 0.00 N ATOM 501 CA HIS A 32 14.280 -3.094 0.723 1.00 0.00 C ATOM 502 C HIS A 32 13.568 -1.736 0.733 1.00 0.00 C ATOM 503 O HIS A 32 13.928 -0.844 1.501 1.00 0.00 O ATOM 504 CB HIS A 32 15.529 -2.901 -0.179 1.00 0.00 C ATOM 505 CG HIS A 32 16.536 -4.024 -0.250 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.315 -5.381 -0.100 1.00 0.00 N ATOM 507 CD2 HIS A 32 17.842 -3.908 -0.613 1.00 0.00 C ATOM 508 CE1 HIS A 32 17.484 -6.013 -0.378 1.00 0.00 C ATOM 509 NE2 HIS A 32 18.432 -5.156 -0.708 1.00 0.00 N ATOM 0 H HIS A 32 13.746 -4.498 -0.705 1.00 0.00 H new ATOM 0 HA HIS A 32 14.526 -3.379 1.746 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.181 -2.701 -1.192 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.051 -2.006 0.161 1.00 0.00 H new ATOM 0 HD1 HIS A 32 15.437 -5.825 0.169 1.00 0.00 H new ATOM 0 HD2 HIS A 32 18.348 -2.972 -0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.621 -7.083 -0.335 1.00 0.00 H new ATOM 517 N THR A 33 12.579 -1.492 -0.155 1.00 0.00 N ATOM 518 CA THR A 33 12.033 -0.146 -0.349 1.00 0.00 C ATOM 519 C THR A 33 10.763 0.090 0.469 1.00 0.00 C ATOM 520 O THR A 33 9.956 -0.825 0.636 1.00 0.00 O ATOM 521 CB THR A 33 11.825 0.274 -1.811 1.00 0.00 C ATOM 522 OG1 THR A 33 11.052 -0.645 -2.572 1.00 0.00 O ATOM 523 CG2 THR A 33 13.200 0.351 -2.493 1.00 0.00 C ATOM 0 H THR A 33 12.151 -2.209 -0.741 1.00 0.00 H new ATOM 0 HA THR A 33 12.821 0.505 0.029 1.00 0.00 H new ATOM 0 HB THR A 33 11.293 1.225 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.959 -0.313 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.074 0.648 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.821 1.085 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.682 -0.626 -2.451 1.00 0.00 H new ATOM 531 N PRO A 34 10.528 1.273 1.054 1.00 0.00 N ATOM 532 CA PRO A 34 9.372 1.482 1.919 1.00 0.00 C ATOM 533 C PRO A 34 8.097 1.705 1.127 1.00 0.00 C ATOM 534 O PRO A 34 8.126 2.047 -0.057 1.00 0.00 O ATOM 535 CB PRO A 34 9.756 2.736 2.723 1.00 0.00 C ATOM 536 CG PRO A 34 10.659 3.528 1.775 1.00 0.00 C ATOM 537 CD PRO A 34 11.440 2.422 1.066 1.00 0.00 C ATOM 0 HA PRO A 34 9.159 0.616 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.875 3.312 3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.277 2.474 3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.082 4.132 1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.318 4.208 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.717 2.719 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.364 2.189 1.594 1.00 0.00 H new ATOM 545 N LEU A 35 6.937 1.538 1.789 1.00 0.00 N ATOM 546 CA LEU A 35 5.626 1.506 1.167 1.00 0.00 C ATOM 547 C LEU A 35 5.235 2.832 0.532 1.00 0.00 C ATOM 548 O LEU A 35 4.596 2.863 -0.519 1.00 0.00 O ATOM 549 CB LEU A 35 4.534 1.075 2.185 1.00 0.00 C ATOM 550 CG LEU A 35 4.490 -0.434 2.547 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.185 -1.318 1.325 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.736 -0.951 3.283 1.00 0.00 C ATOM 0 H LEU A 35 6.899 1.419 2.801 1.00 0.00 H new ATOM 0 HA LEU A 35 5.694 0.767 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.679 1.643 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.561 1.359 1.784 1.00 0.00 H new ATOM 0 HG LEU A 35 3.664 -0.513 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.165 -2.365 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.216 -1.042 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.958 -1.174 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.618 -2.014 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.616 -0.802 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.859 -0.405 4.218 1.00 0.00 H new ATOM 564 N ARG A 36 5.651 3.969 1.132 1.00 0.00 N ATOM 565 CA ARG A 36 5.397 5.321 0.651 1.00 0.00 C ATOM 566 C ARG A 36 5.756 5.551 -0.814 1.00 0.00 C ATOM 567 O ARG A 36 5.011 6.156 -1.582 1.00 0.00 O ATOM 568 CB ARG A 36 6.188 6.345 1.498 1.00 0.00 C ATOM 569 CG ARG A 36 5.669 7.791 1.360 1.00 0.00 C ATOM 570 CD ARG A 36 6.481 8.779 2.198 1.00 0.00 C ATOM 571 NE ARG A 36 5.753 10.088 2.156 1.00 0.00 N ATOM 572 CZ ARG A 36 5.843 11.004 3.129 1.00 0.00 C ATOM 573 NH1 ARG A 36 6.352 10.719 4.318 1.00 0.00 N ATOM 574 NH2 ARG A 36 5.395 12.235 2.917 1.00 0.00 N ATOM 0 H ARG A 36 6.192 3.956 1.996 1.00 0.00 H new ATOM 0 HA ARG A 36 4.320 5.455 0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.142 6.050 2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.237 6.315 1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.706 8.090 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.624 7.831 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.580 8.425 3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.490 8.885 1.799 1.00 0.00 H new ATOM 0 HE ARG A 36 5.162 10.291 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.691 9.777 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.405 11.441 5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.984 12.480 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.461 12.936 3.655 1.00 0.00 H new ATOM 588 N LYS A 37 6.906 4.997 -1.242 1.00 0.00 N ATOM 589 CA LYS A 37 7.429 5.104 -2.590 1.00 0.00 C ATOM 590 C LYS A 37 6.515 4.468 -3.639 1.00 0.00 C ATOM 591 O LYS A 37 6.415 4.919 -4.778 1.00 0.00 O ATOM 592 CB LYS A 37 8.846 4.468 -2.603 1.00 0.00 C ATOM 593 CG LYS A 37 9.787 4.989 -3.705 1.00 0.00 C ATOM 594 CD LYS A 37 10.210 3.940 -4.752 1.00 0.00 C ATOM 595 CE LYS A 37 9.140 3.645 -5.806 1.00 0.00 C ATOM 596 NZ LYS A 37 9.673 2.756 -6.852 1.00 0.00 N ATOM 0 H LYS A 37 7.506 4.447 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 37 7.483 6.157 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.314 4.643 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.742 3.389 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.297 5.816 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.684 5.393 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.114 4.286 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.466 3.013 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.275 3.181 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.797 4.577 -6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.933 2.567 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.485 3.212 -7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.979 1.859 -6.423 1.00 0.00 H new ATOM 610 N LEU A 38 5.784 3.399 -3.262 1.00 0.00 N ATOM 611 CA LEU A 38 4.781 2.789 -4.115 1.00 0.00 C ATOM 612 C LEU A 38 3.438 3.500 -4.014 1.00 0.00 C ATOM 613 O LEU A 38 2.727 3.643 -5.006 1.00 0.00 O ATOM 614 CB LEU A 38 4.657 1.278 -3.824 1.00 0.00 C ATOM 615 CG LEU A 38 3.883 0.484 -4.900 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.453 -0.932 -5.030 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.377 0.399 -4.608 1.00 0.00 C ATOM 0 H LEU A 38 5.884 2.945 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 38 5.113 2.901 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.657 0.855 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.160 1.145 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 38 4.008 1.028 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.898 -1.479 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.503 -0.877 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.364 -1.449 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.885 -0.170 -5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.219 -0.097 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.957 1.404 -4.569 1.00 0.00 H new ATOM 629 N MET A 39 3.058 4.022 -2.828 1.00 0.00 N ATOM 630 CA MET A 39 1.856 4.835 -2.659 1.00 0.00 C ATOM 631 C MET A 39 1.831 6.063 -3.571 1.00 0.00 C ATOM 632 O MET A 39 0.842 6.314 -4.260 1.00 0.00 O ATOM 633 CB MET A 39 1.663 5.293 -1.192 1.00 0.00 C ATOM 634 CG MET A 39 1.415 4.156 -0.178 1.00 0.00 C ATOM 635 SD MET A 39 -0.138 3.240 -0.421 1.00 0.00 S ATOM 636 CE MET A 39 0.568 1.798 -1.273 1.00 0.00 C ATOM 0 H MET A 39 3.584 3.885 -1.965 1.00 0.00 H new ATOM 0 HA MET A 39 1.032 4.180 -2.943 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.548 5.849 -0.882 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.822 5.985 -1.151 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.247 3.453 -0.231 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.418 4.578 0.827 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.202 1.321 -1.880 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.388 2.120 -1.914 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.941 1.087 -0.536 1.00 0.00 H new ATOM 646 N ASN A 40 2.950 6.815 -3.646 1.00 0.00 N ATOM 647 CA ASN A 40 3.113 7.924 -4.580 1.00 0.00 C ATOM 648 C ASN A 40 3.179 7.499 -6.052 1.00 0.00 C ATOM 649 O ASN A 40 2.969 8.302 -6.958 1.00 0.00 O ATOM 650 CB ASN A 40 4.372 8.764 -4.234 1.00 0.00 C ATOM 651 CG ASN A 40 4.217 9.480 -2.896 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.014 9.310 -1.968 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.184 10.342 -2.790 1.00 0.00 N ATOM 0 H ASN A 40 3.764 6.660 -3.052 1.00 0.00 H new ATOM 0 HA ASN A 40 2.212 8.526 -4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.246 8.114 -4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.549 9.497 -5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.048 10.871 -1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.540 10.464 -3.571 1.00 0.00 H new ATOM 660 N ALA A 41 3.443 6.211 -6.351 1.00 0.00 N ATOM 661 CA ALA A 41 3.287 5.667 -7.687 1.00 0.00 C ATOM 662 C ALA A 41 1.820 5.427 -8.019 1.00 0.00 C ATOM 663 O ALA A 41 1.297 5.939 -9.005 1.00 0.00 O ATOM 664 CB ALA A 41 4.103 4.368 -7.850 1.00 0.00 C ATOM 0 H ALA A 41 3.769 5.531 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 41 3.672 6.404 -8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.970 3.979 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.159 4.578 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.758 3.628 -7.128 1.00 0.00 H new ATOM 670 N TYR A 42 1.110 4.638 -7.190 1.00 0.00 N ATOM 671 CA TYR A 42 -0.255 4.208 -7.461 1.00 0.00 C ATOM 672 C TYR A 42 -1.290 5.332 -7.493 1.00 0.00 C ATOM 673 O TYR A 42 -2.208 5.296 -8.311 1.00 0.00 O ATOM 674 CB TYR A 42 -0.683 3.081 -6.478 1.00 0.00 C ATOM 675 CG TYR A 42 -0.964 1.810 -7.237 1.00 0.00 C ATOM 676 CD1 TYR A 42 0.086 0.936 -7.571 1.00 0.00 C ATOM 677 CD2 TYR A 42 -2.267 1.498 -7.658 1.00 0.00 C ATOM 678 CE1 TYR A 42 -0.168 -0.241 -8.295 1.00 0.00 C ATOM 679 CE2 TYR A 42 -2.522 0.322 -8.380 1.00 0.00 C ATOM 680 CZ TYR A 42 -1.473 -0.549 -8.691 1.00 0.00 C ATOM 681 OH TYR A 42 -1.742 -1.743 -9.392 1.00 0.00 O ATOM 0 H TYR A 42 1.481 4.284 -6.308 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.236 3.817 -8.478 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.105 2.909 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.571 3.388 -5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.096 1.171 -7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.080 2.169 -7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.644 -0.907 -8.545 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.528 0.090 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.701 -1.798 -9.588 1.00 0.00 H new ATOM 691 N CYS A 43 -1.140 6.382 -6.652 1.00 0.00 N ATOM 692 CA CYS A 43 -2.012 7.558 -6.649 1.00 0.00 C ATOM 693 C CYS A 43 -2.106 8.230 -8.009 1.00 0.00 C ATOM 694 O CYS A 43 -3.169 8.297 -8.625 1.00 0.00 O ATOM 695 CB CYS A 43 -1.536 8.641 -5.635 1.00 0.00 C ATOM 696 SG CYS A 43 -1.858 8.210 -3.894 1.00 0.00 S ATOM 0 H CYS A 43 -0.399 6.427 -5.953 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.989 7.169 -6.363 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.466 8.804 -5.767 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.033 9.584 -5.864 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.970 7.352 -3.488 1.00 0.00 H new ATOM 702 N ASP A 44 -0.968 8.727 -8.508 1.00 0.00 N ATOM 703 CA ASP A 44 -0.845 9.416 -9.769 1.00 0.00 C ATOM 704 C ASP A 44 -0.961 8.486 -10.979 1.00 0.00 C ATOM 705 O ASP A 44 -1.438 8.896 -12.035 1.00 0.00 O ATOM 706 CB ASP A 44 0.485 10.201 -9.765 1.00 0.00 C ATOM 707 CG ASP A 44 0.418 11.229 -8.657 1.00 0.00 C ATOM 708 OD1 ASP A 44 0.719 10.891 -7.485 1.00 0.00 O ATOM 709 OD2 ASP A 44 0.029 12.392 -8.945 1.00 0.00 O ATOM 0 H ASP A 44 -0.079 8.650 -8.013 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.682 10.106 -9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.326 9.525 -9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.643 10.688 -10.727 1.00 0.00 H new ATOM 714 N ARG A 45 -0.586 7.191 -10.868 1.00 0.00 N ATOM 715 CA ARG A 45 -0.791 6.209 -11.931 1.00 0.00 C ATOM 716 C ARG A 45 -2.263 5.959 -12.250 1.00 0.00 C ATOM 717 O ARG A 45 -2.657 5.875 -13.416 1.00 0.00 O ATOM 718 CB ARG A 45 -0.123 4.855 -11.577 1.00 0.00 C ATOM 719 CG ARG A 45 -0.087 3.814 -12.716 1.00 0.00 C ATOM 720 CD ARG A 45 0.866 4.203 -13.848 1.00 0.00 C ATOM 721 NE ARG A 45 0.835 3.109 -14.870 1.00 0.00 N ATOM 722 CZ ARG A 45 1.850 2.865 -15.706 1.00 0.00 C ATOM 723 NH1 ARG A 45 2.959 3.592 -15.705 1.00 0.00 N ATOM 724 NH2 ARG A 45 1.775 1.871 -16.581 1.00 0.00 N ATOM 0 H ARG A 45 -0.135 6.809 -10.037 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.325 6.642 -12.816 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.899 5.048 -11.252 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.650 4.421 -10.728 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.214 2.849 -12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.092 3.690 -13.120 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.563 5.150 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.878 4.340 -13.466 1.00 0.00 H new ATOM 0 HE ARG A 45 0.002 2.523 -14.931 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.059 4.368 -15.051 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.712 3.375 -16.358 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.939 1.287 -16.619 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.553 1.690 -17.216 1.00 0.00 H new ATOM 738 N ALA A 46 -3.113 5.848 -11.210 1.00 0.00 N ATOM 739 CA ALA A 46 -4.557 5.791 -11.334 1.00 0.00 C ATOM 740 C ALA A 46 -5.150 7.155 -11.683 1.00 0.00 C ATOM 741 O ALA A 46 -6.001 7.297 -12.563 1.00 0.00 O ATOM 742 CB ALA A 46 -5.143 5.300 -9.996 1.00 0.00 C ATOM 0 H ALA A 46 -2.792 5.795 -10.243 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.810 5.106 -12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.229 5.251 -10.071 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.750 4.309 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.865 5.992 -9.201 1.00 0.00 H new ATOM 748 N GLY A 47 -4.684 8.206 -10.984 1.00 0.00 N ATOM 749 CA GLY A 47 -5.115 9.585 -11.157 1.00 0.00 C ATOM 750 C GLY A 47 -6.082 9.990 -10.083 1.00 0.00 C ATOM 751 O GLY A 47 -7.067 10.676 -10.345 1.00 0.00 O ATOM 0 H GLY A 47 -3.972 8.103 -10.260 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.248 10.245 -11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.583 9.703 -12.134 1.00 0.00 H new ATOM 755 N LEU A 48 -5.824 9.595 -8.829 1.00 0.00 N ATOM 756 CA LEU A 48 -6.675 9.898 -7.692 1.00 0.00 C ATOM 757 C LEU A 48 -5.939 10.759 -6.679 1.00 0.00 C ATOM 758 O LEU A 48 -4.822 11.216 -6.916 1.00 0.00 O ATOM 759 CB LEU A 48 -7.270 8.600 -7.080 1.00 0.00 C ATOM 760 CG LEU A 48 -6.277 7.499 -6.636 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.494 7.839 -5.360 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.043 6.184 -6.428 1.00 0.00 C ATOM 0 H LEU A 48 -5.000 9.046 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.525 10.488 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.870 8.881 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.950 8.164 -7.812 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.538 7.409 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.821 7.017 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.914 8.748 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.191 7.994 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.349 5.404 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.803 6.323 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.522 5.890 -7.362 1.00 0.00 H new ATOM 774 N SER A 49 -6.548 11.025 -5.508 1.00 0.00 N ATOM 775 CA SER A 49 -5.929 11.821 -4.456 1.00 0.00 C ATOM 776 C SER A 49 -6.038 11.100 -3.139 1.00 0.00 C ATOM 777 O SER A 49 -6.966 10.329 -2.908 1.00 0.00 O ATOM 778 CB SER A 49 -6.556 13.225 -4.279 1.00 0.00 C ATOM 779 OG SER A 49 -6.540 13.932 -5.518 1.00 0.00 O ATOM 0 H SER A 49 -7.483 10.690 -5.274 1.00 0.00 H new ATOM 0 HA SER A 49 -4.892 11.957 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.581 13.131 -3.919 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.003 13.786 -3.525 1.00 0.00 H new ATOM 0 HG SER A 49 -6.941 14.818 -5.394 1.00 0.00 H new ATOM 785 N MET A 50 -5.078 11.326 -2.219 1.00 0.00 N ATOM 786 CA MET A 50 -4.910 10.483 -1.047 1.00 0.00 C ATOM 787 C MET A 50 -6.033 10.561 -0.012 1.00 0.00 C ATOM 788 O MET A 50 -6.420 9.553 0.568 1.00 0.00 O ATOM 789 CB MET A 50 -3.528 10.743 -0.405 1.00 0.00 C ATOM 790 CG MET A 50 -3.085 9.628 0.567 1.00 0.00 C ATOM 791 SD MET A 50 -1.371 9.777 1.161 1.00 0.00 S ATOM 792 CE MET A 50 -0.514 9.329 -0.378 1.00 0.00 C ATOM 0 H MET A 50 -4.410 12.094 -2.278 1.00 0.00 H new ATOM 0 HA MET A 50 -4.966 9.458 -1.413 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.782 10.845 -1.194 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.557 11.692 0.131 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.755 9.627 1.427 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.201 8.664 0.071 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.525 9.085 -0.158 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.002 8.465 -0.828 1.00 0.00 H new ATOM 0 HE3 MET A 50 -0.550 10.168 -1.072 1.00 0.00 H new ATOM 802 N GLN A 51 -6.639 11.746 0.221 1.00 0.00 N ATOM 803 CA GLN A 51 -7.659 11.940 1.249 1.00 0.00 C ATOM 804 C GLN A 51 -9.011 11.234 1.037 1.00 0.00 C ATOM 805 O GLN A 51 -9.941 11.415 1.823 1.00 0.00 O ATOM 806 CB GLN A 51 -7.947 13.450 1.474 1.00 0.00 C ATOM 807 CG GLN A 51 -6.732 14.294 1.936 1.00 0.00 C ATOM 808 CD GLN A 51 -7.192 15.718 2.260 1.00 0.00 C ATOM 809 OE1 GLN A 51 -7.891 16.360 1.473 1.00 0.00 O ATOM 810 NE2 GLN A 51 -6.827 16.238 3.450 1.00 0.00 N ATOM 0 H GLN A 51 -6.426 12.592 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.203 11.465 2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.330 13.872 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.738 13.545 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.273 13.840 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.972 14.315 1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.248 15.693 4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.130 17.176 3.711 1.00 0.00 H new ATOM 819 N VAL A 52 -9.178 10.401 -0.010 1.00 0.00 N ATOM 820 CA VAL A 52 -10.316 9.492 -0.124 1.00 0.00 C ATOM 821 C VAL A 52 -9.893 8.030 -0.036 1.00 0.00 C ATOM 822 O VAL A 52 -10.743 7.152 0.094 1.00 0.00 O ATOM 823 CB VAL A 52 -11.157 9.703 -1.386 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.855 11.074 -1.300 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.315 9.589 -2.669 1.00 0.00 C ATOM 0 H VAL A 52 -8.526 10.346 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.946 9.739 0.731 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.906 8.913 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.456 11.233 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.499 11.100 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.104 11.860 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.954 9.746 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.528 10.343 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.866 8.597 -2.723 1.00 0.00 H new ATOM 835 N VAL A 53 -8.579 7.726 -0.079 1.00 0.00 N ATOM 836 CA VAL A 53 -8.051 6.370 -0.156 1.00 0.00 C ATOM 837 C VAL A 53 -7.425 5.984 1.175 1.00 0.00 C ATOM 838 O VAL A 53 -6.289 6.334 1.487 1.00 0.00 O ATOM 839 CB VAL A 53 -7.024 6.243 -1.278 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.525 4.793 -1.415 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.673 6.674 -2.603 1.00 0.00 C ATOM 0 H VAL A 53 -7.850 8.439 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.876 5.692 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.173 6.881 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.795 4.734 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.060 4.479 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.367 4.138 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.946 6.586 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.529 6.033 -2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.006 7.709 -2.525 1.00 0.00 H new ATOM 851 N ARG A 54 -8.174 5.261 2.028 1.00 0.00 N ATOM 852 CA ARG A 54 -7.782 5.006 3.403 1.00 0.00 C ATOM 853 C ARG A 54 -7.505 3.536 3.656 1.00 0.00 C ATOM 854 O ARG A 54 -8.394 2.689 3.610 1.00 0.00 O ATOM 855 CB ARG A 54 -8.892 5.508 4.347 1.00 0.00 C ATOM 856 CG ARG A 54 -8.993 7.047 4.350 1.00 0.00 C ATOM 857 CD ARG A 54 -10.406 7.585 4.562 1.00 0.00 C ATOM 858 NE ARG A 54 -11.172 7.257 3.312 1.00 0.00 N ATOM 859 CZ ARG A 54 -12.388 7.748 3.044 1.00 0.00 C ATOM 860 NH1 ARG A 54 -13.050 8.474 3.933 1.00 0.00 N ATOM 861 NH2 ARG A 54 -12.918 7.530 1.849 1.00 0.00 N ATOM 0 H ARG A 54 -9.068 4.842 1.771 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.854 5.544 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.848 5.082 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.694 5.155 5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.346 7.440 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.611 7.426 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.870 7.126 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.391 8.661 4.738 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.744 6.628 2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.634 8.669 4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.976 8.838 3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.400 6.996 1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.844 7.897 1.627 1.00 0.00 H new ATOM 875 N PHE A 55 -6.236 3.194 3.918 1.00 0.00 N ATOM 876 CA PHE A 55 -5.765 1.836 4.124 1.00 0.00 C ATOM 877 C PHE A 55 -5.904 1.356 5.568 1.00 0.00 C ATOM 878 O PHE A 55 -5.786 2.127 6.520 1.00 0.00 O ATOM 879 CB PHE A 55 -4.297 1.693 3.619 1.00 0.00 C ATOM 880 CG PHE A 55 -3.443 2.897 3.957 1.00 0.00 C ATOM 881 CD1 PHE A 55 -2.881 3.045 5.235 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.214 3.899 2.996 1.00 0.00 C ATOM 883 CE1 PHE A 55 -2.104 4.168 5.551 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.446 5.027 3.309 1.00 0.00 C ATOM 885 CZ PHE A 55 -1.888 5.160 4.587 1.00 0.00 C ATOM 0 H PHE A 55 -5.491 3.886 3.993 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.412 1.186 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.851 0.801 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.301 1.547 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.049 2.285 5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.635 3.797 2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.673 4.268 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.284 5.794 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.291 6.027 4.829 1.00 0.00 H new ATOM 895 N ARG A 56 -6.158 0.048 5.765 1.00 0.00 N ATOM 896 CA ARG A 56 -6.222 -0.558 7.083 1.00 0.00 C ATOM 897 C ARG A 56 -5.542 -1.918 7.041 1.00 0.00 C ATOM 898 O ARG A 56 -5.739 -2.699 6.113 1.00 0.00 O ATOM 899 CB ARG A 56 -7.693 -0.662 7.581 1.00 0.00 C ATOM 900 CG ARG A 56 -7.869 -1.443 8.903 1.00 0.00 C ATOM 901 CD ARG A 56 -9.183 -1.199 9.673 1.00 0.00 C ATOM 902 NE ARG A 56 -10.379 -1.436 8.801 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.873 -2.624 8.445 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.225 -3.766 8.619 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.966 -2.681 7.691 1.00 0.00 N ATOM 0 H ARG A 56 -6.323 -0.610 5.003 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.695 0.074 7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.091 0.344 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.292 -1.143 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.794 -2.508 8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.036 -1.194 9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.226 -1.858 10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.202 -0.176 10.049 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.862 -0.611 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.298 -3.767 9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.653 -4.645 8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.422 -1.820 7.388 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.349 -3.585 7.415 1.00 0.00 H new ATOM 919 N PHE A 57 -4.701 -2.229 8.048 1.00 0.00 N ATOM 920 CA PHE A 57 -3.960 -3.477 8.116 1.00 0.00 C ATOM 921 C PHE A 57 -4.090 -4.039 9.526 1.00 0.00 C ATOM 922 O PHE A 57 -3.884 -3.331 10.510 1.00 0.00 O ATOM 923 CB PHE A 57 -2.471 -3.226 7.753 1.00 0.00 C ATOM 924 CG PHE A 57 -1.648 -4.488 7.793 1.00 0.00 C ATOM 925 CD1 PHE A 57 -1.782 -5.463 6.792 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.765 -4.723 8.860 1.00 0.00 C ATOM 927 CE1 PHE A 57 -1.039 -6.649 6.852 1.00 0.00 C ATOM 928 CE2 PHE A 57 -0.022 -5.907 8.925 1.00 0.00 C ATOM 929 CZ PHE A 57 -0.157 -6.871 7.918 1.00 0.00 C ATOM 0 H PHE A 57 -4.525 -1.607 8.837 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.362 -4.197 7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.412 -2.789 6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.049 -2.498 8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.463 -5.298 5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.658 -3.982 9.638 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.146 -7.393 6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.654 -6.077 9.750 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.418 -7.784 7.963 1.00 0.00 H new ATOM 939 N ASP A 58 -4.493 -5.320 9.662 1.00 0.00 N ATOM 940 CA ASP A 58 -4.584 -6.053 10.919 1.00 0.00 C ATOM 941 C ASP A 58 -5.659 -5.495 11.883 1.00 0.00 C ATOM 942 O ASP A 58 -5.775 -5.875 13.046 1.00 0.00 O ATOM 943 CB ASP A 58 -3.161 -6.237 11.528 1.00 0.00 C ATOM 944 CG ASP A 58 -3.125 -7.258 12.637 1.00 0.00 C ATOM 945 OD1 ASP A 58 -3.620 -8.399 12.446 1.00 0.00 O ATOM 946 OD2 ASP A 58 -2.645 -6.915 13.751 1.00 0.00 O ATOM 0 H ASP A 58 -4.773 -5.885 8.860 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.962 -7.055 10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.471 -6.539 10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.809 -5.279 11.911 1.00 0.00 H new ATOM 951 N GLY A 59 -6.507 -4.566 11.402 1.00 0.00 N ATOM 952 CA GLY A 59 -7.484 -3.846 12.219 1.00 0.00 C ATOM 953 C GLY A 59 -7.022 -2.455 12.577 1.00 0.00 C ATOM 954 O GLY A 59 -7.790 -1.643 13.079 1.00 0.00 O ATOM 0 H GLY A 59 -6.527 -4.295 10.419 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.429 -3.784 11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.675 -4.409 13.133 1.00 0.00 H new ATOM 958 N GLN A 60 -5.745 -2.136 12.328 1.00 0.00 N ATOM 959 CA GLN A 60 -5.100 -0.913 12.767 1.00 0.00 C ATOM 960 C GLN A 60 -4.763 0.004 11.588 1.00 0.00 C ATOM 961 O GLN A 60 -4.841 -0.417 10.428 1.00 0.00 O ATOM 962 CB GLN A 60 -3.793 -1.315 13.502 1.00 0.00 C ATOM 963 CG GLN A 60 -4.054 -2.095 14.816 1.00 0.00 C ATOM 964 CD GLN A 60 -3.197 -3.357 14.890 1.00 0.00 C ATOM 965 OE1 GLN A 60 -1.976 -3.295 15.068 1.00 0.00 O ATOM 966 NE2 GLN A 60 -3.831 -4.537 14.729 1.00 0.00 N ATOM 0 H GLN A 60 -5.122 -2.747 11.799 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.775 -0.363 13.422 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.182 -1.927 12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.218 -0.417 13.727 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.837 -1.455 15.671 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.108 -2.364 14.879 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.840 -4.558 14.584 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.301 -5.408 14.753 1.00 0.00 H new ATOM 975 N PRO A 61 -4.375 1.263 11.794 1.00 0.00 N ATOM 976 CA PRO A 61 -3.591 2.001 10.809 1.00 0.00 C ATOM 977 C PRO A 61 -2.157 1.479 10.763 1.00 0.00 C ATOM 978 O PRO A 61 -1.733 0.741 11.649 1.00 0.00 O ATOM 979 CB PRO A 61 -3.650 3.445 11.340 1.00 0.00 C ATOM 980 CG PRO A 61 -3.726 3.284 12.861 1.00 0.00 C ATOM 981 CD PRO A 61 -4.590 2.032 13.028 1.00 0.00 C ATOM 0 HA PRO A 61 -3.966 1.908 9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.769 4.015 11.043 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.519 3.977 10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.738 3.156 13.304 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.178 4.154 13.337 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.293 1.461 13.907 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.641 2.290 13.156 1.00 0.00 H new ATOM 989 N ILE A 62 -1.393 1.845 9.721 1.00 0.00 N ATOM 990 CA ILE A 62 -0.036 1.372 9.518 1.00 0.00 C ATOM 991 C ILE A 62 0.818 2.557 9.097 1.00 0.00 C ATOM 992 O ILE A 62 0.348 3.471 8.417 1.00 0.00 O ATOM 993 CB ILE A 62 0.004 0.223 8.503 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.414 -0.399 8.360 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.588 0.662 7.142 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.431 -1.717 7.577 1.00 0.00 C ATOM 0 H ILE A 62 -1.714 2.485 8.994 1.00 0.00 H new ATOM 0 HA ILE A 62 0.366 0.959 10.443 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.630 -0.573 8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.068 0.317 7.863 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.827 -0.572 9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.547 -0.172 6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.624 0.971 7.279 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.010 1.497 6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.453 -2.092 7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.804 -2.450 8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.049 -1.547 6.571 1.00 0.00 H new ATOM 1008 N ASN A 63 2.101 2.606 9.514 1.00 0.00 N ATOM 1009 CA ASN A 63 2.996 3.692 9.161 1.00 0.00 C ATOM 1010 C ASN A 63 3.842 3.288 7.960 1.00 0.00 C ATOM 1011 O ASN A 63 4.323 2.163 7.848 1.00 0.00 O ATOM 1012 CB ASN A 63 3.929 4.099 10.334 1.00 0.00 C ATOM 1013 CG ASN A 63 3.145 4.770 11.456 1.00 0.00 C ATOM 1014 OD1 ASN A 63 1.913 4.824 11.512 1.00 0.00 O ATOM 1015 ND2 ASN A 63 3.886 5.348 12.424 1.00 0.00 N ATOM 0 H ASN A 63 2.529 1.890 10.101 1.00 0.00 H new ATOM 0 HA ASN A 63 2.376 4.556 8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.438 3.216 10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.700 4.778 9.970 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.428 5.828 13.199 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.904 5.305 12.381 1.00 0.00 H new ATOM 1022 N GLU A 64 4.052 4.222 7.015 1.00 0.00 N ATOM 1023 CA GLU A 64 4.663 3.979 5.720 1.00 0.00 C ATOM 1024 C GLU A 64 6.174 3.744 5.705 1.00 0.00 C ATOM 1025 O GLU A 64 6.752 3.388 4.677 1.00 0.00 O ATOM 1026 CB GLU A 64 4.261 5.131 4.756 1.00 0.00 C ATOM 1027 CG GLU A 64 4.297 6.593 5.304 1.00 0.00 C ATOM 1028 CD GLU A 64 5.646 7.296 5.420 1.00 0.00 C ATOM 1029 OE1 GLU A 64 6.710 6.729 5.094 1.00 0.00 O ATOM 1030 OE2 GLU A 64 5.619 8.502 5.800 1.00 0.00 O ATOM 0 H GLU A 64 3.787 5.198 7.149 1.00 0.00 H new ATOM 0 HA GLU A 64 4.270 3.019 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.918 5.084 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.250 4.932 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.660 7.203 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.841 6.587 6.294 1.00 0.00 H new ATOM 1037 N ASN A 65 6.832 3.909 6.870 1.00 0.00 N ATOM 1038 CA ASN A 65 8.268 3.882 7.035 1.00 0.00 C ATOM 1039 C ASN A 65 8.869 2.478 7.093 1.00 0.00 C ATOM 1040 O ASN A 65 10.013 2.263 6.694 1.00 0.00 O ATOM 1041 CB ASN A 65 8.610 4.645 8.346 1.00 0.00 C ATOM 1042 CG ASN A 65 10.077 5.051 8.395 1.00 0.00 C ATOM 1043 OD1 ASN A 65 10.530 5.884 7.605 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.866 4.480 9.327 1.00 0.00 N ATOM 0 H ASN A 65 6.340 4.071 7.749 1.00 0.00 H new ATOM 0 HA ASN A 65 8.705 4.352 6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.984 5.534 8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.378 4.015 9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.852 4.735 9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.477 3.793 9.973 1.00 0.00 H new ATOM 1051 N ASP A 66 8.133 1.499 7.643 1.00 0.00 N ATOM 1052 CA ASP A 66 8.647 0.175 7.929 1.00 0.00 C ATOM 1053 C ASP A 66 8.770 -0.698 6.681 1.00 0.00 C ATOM 1054 O ASP A 66 7.835 -0.845 5.896 1.00 0.00 O ATOM 1055 CB ASP A 66 7.749 -0.523 8.980 1.00 0.00 C ATOM 1056 CG ASP A 66 7.749 0.279 10.256 1.00 0.00 C ATOM 1057 OD1 ASP A 66 8.844 0.441 10.848 1.00 0.00 O ATOM 1058 OD2 ASP A 66 6.668 0.764 10.678 1.00 0.00 O ATOM 0 H ASP A 66 7.153 1.619 7.900 1.00 0.00 H new ATOM 0 HA ASP A 66 9.655 0.303 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.732 -0.619 8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.114 -1.532 9.173 1.00 0.00 H new ATOM 1063 N THR A 67 9.953 -1.303 6.455 1.00 0.00 N ATOM 1064 CA THR A 67 10.184 -2.191 5.322 1.00 0.00 C ATOM 1065 C THR A 67 9.969 -3.642 5.733 1.00 0.00 C ATOM 1066 O THR A 67 10.150 -3.982 6.906 1.00 0.00 O ATOM 1067 CB THR A 67 11.594 -2.083 4.731 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.592 -2.388 5.695 1.00 0.00 O ATOM 1069 CG2 THR A 67 11.847 -0.647 4.260 1.00 0.00 C ATOM 0 H THR A 67 10.767 -1.184 7.057 1.00 0.00 H new ATOM 0 HA THR A 67 9.470 -1.877 4.561 1.00 0.00 H new ATOM 0 HB THR A 67 11.651 -2.793 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.245 -3.007 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.850 -0.573 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.114 -0.379 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.757 0.035 5.106 1.00 0.00 H new ATOM 1077 N PRO A 68 9.634 -4.568 4.839 1.00 0.00 N ATOM 1078 CA PRO A 68 9.573 -5.986 5.183 1.00 0.00 C ATOM 1079 C PRO A 68 10.955 -6.602 5.358 1.00 0.00 C ATOM 1080 O PRO A 68 11.019 -7.730 5.836 1.00 0.00 O ATOM 1081 CB PRO A 68 8.789 -6.609 4.019 1.00 0.00 C ATOM 1082 CG PRO A 68 9.101 -5.688 2.844 1.00 0.00 C ATOM 1083 CD PRO A 68 9.132 -4.304 3.488 1.00 0.00 C ATOM 0 HA PRO A 68 9.093 -6.162 6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.109 -7.632 3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.720 -6.644 4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.054 -5.937 2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.340 -5.754 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.785 -3.622 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.142 -3.849 3.509 1.00 0.00 H new ATOM 1091 N THR A 69 12.073 -5.905 5.040 1.00 0.00 N ATOM 1092 CA THR A 69 13.406 -6.303 5.508 1.00 0.00 C ATOM 1093 C THR A 69 13.554 -6.060 6.995 1.00 0.00 C ATOM 1094 O THR A 69 13.906 -6.968 7.744 1.00 0.00 O ATOM 1095 CB THR A 69 14.605 -5.642 4.823 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.477 -4.226 4.718 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.753 -6.205 3.406 1.00 0.00 C ATOM 0 H THR A 69 12.069 -5.065 4.461 1.00 0.00 H new ATOM 0 HA THR A 69 13.439 -7.360 5.244 1.00 0.00 H new ATOM 0 HB THR A 69 15.476 -5.860 5.441 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.270 -3.858 4.275 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.606 -5.736 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.911 -7.282 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.848 -5.998 2.836 1.00 0.00 H new ATOM 1105 N SER A 70 13.251 -4.842 7.489 1.00 0.00 N ATOM 1106 CA SER A 70 13.365 -4.513 8.907 1.00 0.00 C ATOM 1107 C SER A 70 12.378 -5.261 9.772 1.00 0.00 C ATOM 1108 O SER A 70 12.689 -5.659 10.893 1.00 0.00 O ATOM 1109 CB SER A 70 13.191 -3.004 9.206 1.00 0.00 C ATOM 1110 OG SER A 70 14.141 -2.222 8.481 1.00 0.00 O ATOM 0 H SER A 70 12.923 -4.068 6.911 1.00 0.00 H new ATOM 0 HA SER A 70 14.381 -4.819 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.181 -2.692 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.309 -2.826 10.275 1.00 0.00 H new ATOM 0 HG SER A 70 13.845 -2.126 7.552 1.00 0.00 H new ATOM 1116 N LEU A 71 11.160 -5.507 9.262 1.00 0.00 N ATOM 1117 CA LEU A 71 10.180 -6.319 9.955 1.00 0.00 C ATOM 1118 C LEU A 71 10.385 -7.830 9.794 1.00 0.00 C ATOM 1119 O LEU A 71 9.701 -8.599 10.465 1.00 0.00 O ATOM 1120 CB LEU A 71 8.749 -5.967 9.481 1.00 0.00 C ATOM 1121 CG LEU A 71 8.298 -4.514 9.736 1.00 0.00 C ATOM 1122 CD1 LEU A 71 6.901 -4.301 9.133 1.00 0.00 C ATOM 1123 CD2 LEU A 71 8.287 -4.151 11.227 1.00 0.00 C ATOM 0 H LEU A 71 10.841 -5.146 8.363 1.00 0.00 H new ATOM 0 HA LEU A 71 10.316 -6.084 11.011 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.681 -6.167 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.047 -6.638 9.976 1.00 0.00 H new ATOM 0 HG LEU A 71 9.022 -3.856 9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.580 -3.275 9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.935 -4.488 8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.195 -4.988 9.599 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.962 -3.118 11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.601 -4.811 11.757 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.290 -4.266 11.637 1.00 0.00 H new ATOM 1135 N GLU A 72 11.306 -8.281 8.913 1.00 0.00 N ATOM 1136 CA GLU A 72 11.587 -9.684 8.605 1.00 0.00 C ATOM 1137 C GLU A 72 10.407 -10.486 8.039 1.00 0.00 C ATOM 1138 O GLU A 72 10.284 -11.688 8.260 1.00 0.00 O ATOM 1139 CB GLU A 72 12.228 -10.460 9.795 1.00 0.00 C ATOM 1140 CG GLU A 72 13.554 -9.860 10.327 1.00 0.00 C ATOM 1141 CD GLU A 72 14.137 -10.710 11.443 1.00 0.00 C ATOM 1142 OE1 GLU A 72 13.470 -10.880 12.494 1.00 0.00 O ATOM 1143 OE2 GLU A 72 15.295 -11.190 11.308 1.00 0.00 O ATOM 0 H GLU A 72 11.895 -7.642 8.379 1.00 0.00 H new ATOM 0 HA GLU A 72 12.318 -9.602 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.509 -10.499 10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.411 -11.488 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.274 -9.783 9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.377 -8.848 10.692 1.00 0.00 H new ATOM 1150 N MET A 73 9.518 -9.864 7.245 1.00 0.00 N ATOM 1151 CA MET A 73 8.244 -10.470 6.881 1.00 0.00 C ATOM 1152 C MET A 73 8.285 -11.432 5.695 1.00 0.00 C ATOM 1153 O MET A 73 9.247 -11.507 4.932 1.00 0.00 O ATOM 1154 CB MET A 73 7.171 -9.381 6.634 1.00 0.00 C ATOM 1155 CG MET A 73 6.735 -8.682 7.934 1.00 0.00 C ATOM 1156 SD MET A 73 5.756 -9.751 9.032 1.00 0.00 S ATOM 1157 CE MET A 73 5.773 -8.600 10.436 1.00 0.00 C ATOM 0 H MET A 73 9.668 -8.937 6.846 1.00 0.00 H new ATOM 0 HA MET A 73 7.982 -11.085 7.742 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.564 -8.638 5.940 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.301 -9.833 6.158 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.621 -8.338 8.468 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.150 -7.797 7.684 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.176 -9.010 11.250 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.799 -8.455 10.775 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.355 -7.642 10.126 1.00 0.00 H new ATOM 1167 N GLU A 74 7.200 -12.219 5.539 1.00 0.00 N ATOM 1168 CA GLU A 74 7.035 -13.253 4.531 1.00 0.00 C ATOM 1169 C GLU A 74 6.669 -12.703 3.145 1.00 0.00 C ATOM 1170 O GLU A 74 7.347 -11.809 2.641 1.00 0.00 O ATOM 1171 CB GLU A 74 6.051 -14.331 5.075 1.00 0.00 C ATOM 1172 CG GLU A 74 4.647 -13.821 5.523 1.00 0.00 C ATOM 1173 CD GLU A 74 3.869 -14.846 6.331 1.00 0.00 C ATOM 1174 OE1 GLU A 74 4.386 -15.966 6.584 1.00 0.00 O ATOM 1175 OE2 GLU A 74 2.751 -14.520 6.800 1.00 0.00 O ATOM 0 H GLU A 74 6.385 -12.136 6.147 1.00 0.00 H new ATOM 0 HA GLU A 74 7.997 -13.733 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.910 -15.087 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.522 -14.827 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.769 -12.916 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.068 -13.548 4.641 1.00 0.00 H new ATOM 1182 N GLU A 75 5.629 -13.250 2.478 1.00 0.00 N ATOM 1183 CA GLU A 75 5.159 -12.752 1.198 1.00 0.00 C ATOM 1184 C GLU A 75 3.753 -13.262 0.902 1.00 0.00 C ATOM 1185 O GLU A 75 3.322 -14.296 1.418 1.00 0.00 O ATOM 1186 CB GLU A 75 6.095 -13.145 0.022 1.00 0.00 C ATOM 1187 CG GLU A 75 6.223 -14.662 -0.254 1.00 0.00 C ATOM 1188 CD GLU A 75 7.203 -14.923 -1.380 1.00 0.00 C ATOM 1189 OE1 GLU A 75 8.429 -14.708 -1.184 1.00 0.00 O ATOM 1190 OE2 GLU A 75 6.750 -15.376 -2.466 1.00 0.00 O ATOM 0 H GLU A 75 5.101 -14.050 2.826 1.00 0.00 H new ATOM 0 HA GLU A 75 5.154 -11.665 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.734 -12.659 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.089 -12.746 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.555 -15.174 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.247 -15.073 -0.513 1.00 0.00 H new ATOM 1197 N GLY A 76 2.990 -12.543 0.053 1.00 0.00 N ATOM 1198 CA GLY A 76 1.638 -12.906 -0.387 1.00 0.00 C ATOM 1199 C GLY A 76 0.622 -12.021 0.275 1.00 0.00 C ATOM 1200 O GLY A 76 -0.396 -12.469 0.800 1.00 0.00 O ATOM 0 H GLY A 76 3.314 -11.666 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.563 -12.811 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.436 -13.949 -0.143 1.00 0.00 H new ATOM 1204 N ASP A 77 0.920 -10.721 0.270 1.00 0.00 N ATOM 1205 CA ASP A 77 0.700 -9.822 1.375 1.00 0.00 C ATOM 1206 C ASP A 77 -0.671 -9.129 1.348 1.00 0.00 C ATOM 1207 O ASP A 77 -0.910 -8.205 0.572 1.00 0.00 O ATOM 1208 CB ASP A 77 1.864 -8.780 1.340 1.00 0.00 C ATOM 1209 CG ASP A 77 3.220 -9.389 0.991 1.00 0.00 C ATOM 1210 OD1 ASP A 77 3.424 -9.806 -0.188 1.00 0.00 O ATOM 1211 OD2 ASP A 77 4.081 -9.461 1.896 1.00 0.00 O ATOM 0 H ASP A 77 1.336 -10.260 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 77 0.694 -10.391 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.625 -8.005 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.934 -8.293 2.313 1.00 0.00 H new ATOM 1216 N THR A 78 -1.633 -9.564 2.188 1.00 0.00 N ATOM 1217 CA THR A 78 -3.014 -9.069 2.159 1.00 0.00 C ATOM 1218 C THR A 78 -3.257 -7.810 2.973 1.00 0.00 C ATOM 1219 O THR A 78 -2.922 -7.737 4.153 1.00 0.00 O ATOM 1220 CB THR A 78 -4.022 -10.098 2.656 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.660 -10.600 3.936 1.00 0.00 O ATOM 1222 CG2 THR A 78 -4.042 -11.297 1.698 1.00 0.00 C ATOM 0 H THR A 78 -1.468 -10.270 2.905 1.00 0.00 H new ATOM 0 HA THR A 78 -3.158 -8.849 1.101 1.00 0.00 H new ATOM 0 HB THR A 78 -4.993 -9.605 2.710 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.319 -9.867 4.490 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.763 -12.034 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.327 -10.961 0.701 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.051 -11.748 1.659 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.890 -6.790 2.363 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.183 -5.519 3.009 1.00 0.00 C ATOM 1232 C ILE A 79 -5.457 -4.948 2.391 1.00 0.00 C ATOM 1233 O ILE A 79 -5.737 -5.190 1.217 1.00 0.00 O ATOM 1234 CB ILE A 79 -2.968 -4.585 2.892 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.148 -3.200 3.566 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.477 -4.487 1.429 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -3.613 -2.076 2.630 1.00 0.00 C ATOM 0 H ILE A 79 -4.212 -6.837 1.396 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.365 -5.644 4.076 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.177 -5.054 3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.870 -3.299 4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.200 -2.907 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.617 -3.819 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.190 -5.477 1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.278 -4.095 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.709 -1.149 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.882 -1.941 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.578 -2.339 2.197 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.308 -4.203 3.139 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.517 -3.614 2.578 1.00 0.00 C ATOM 1251 C GLU A 80 -7.441 -2.098 2.466 1.00 0.00 C ATOM 1252 O GLU A 80 -6.719 -1.409 3.192 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.804 -3.997 3.350 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.881 -3.432 4.784 1.00 0.00 C ATOM 1255 CD GLU A 80 -10.273 -3.548 5.362 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -11.076 -2.583 5.226 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.540 -4.533 6.101 1.00 0.00 O ATOM 0 H GLU A 80 -6.167 -4.005 4.129 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.577 -4.040 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.669 -3.645 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.875 -5.084 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.177 -3.966 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.576 -2.385 4.779 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.213 -1.527 1.523 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.259 -0.096 1.311 1.00 0.00 C ATOM 1266 C VAL A 81 -9.682 0.396 1.082 1.00 0.00 C ATOM 1267 O VAL A 81 -10.437 -0.081 0.234 1.00 0.00 O ATOM 1268 CB VAL A 81 -7.290 0.345 0.214 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -7.718 -0.136 -1.187 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -7.099 1.869 0.246 1.00 0.00 C ATOM 0 H VAL A 81 -8.817 -2.057 0.895 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.917 0.384 2.228 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.332 -0.132 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.994 0.206 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.763 -1.225 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.701 0.271 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.406 2.165 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.059 2.359 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.696 2.165 1.214 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.101 1.403 1.867 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.366 2.078 1.693 1.00 0.00 C ATOM 1282 C TYR A 82 -11.174 3.289 0.791 1.00 0.00 C ATOM 1283 O TYR A 82 -10.754 4.368 1.217 1.00 0.00 O ATOM 1284 CB TYR A 82 -11.991 2.464 3.064 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.293 3.228 2.947 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.257 2.927 1.965 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -13.531 4.305 3.815 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -15.406 3.718 1.827 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -14.693 5.082 3.694 1.00 0.00 C ATOM 1290 CZ TYR A 82 -15.622 4.793 2.690 1.00 0.00 C ATOM 1291 OH TYR A 82 -16.783 5.574 2.535 1.00 0.00 O ATOM 0 H TYR A 82 -9.551 1.764 2.647 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.071 1.400 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.163 1.557 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.275 3.067 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.110 2.079 1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.811 4.538 4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.125 3.495 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.869 5.902 4.375 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.792 6.284 3.211 1.00 0.00 H new ATOM 1301 N GLN A 83 -11.512 3.111 -0.494 1.00 0.00 N ATOM 1302 CA GLN A 83 -11.752 4.179 -1.434 1.00 0.00 C ATOM 1303 C GLN A 83 -13.240 4.185 -1.734 1.00 0.00 C ATOM 1304 O GLN A 83 -13.924 3.180 -1.545 1.00 0.00 O ATOM 1305 CB GLN A 83 -10.920 3.995 -2.731 1.00 0.00 C ATOM 1306 CG GLN A 83 -11.229 2.695 -3.518 1.00 0.00 C ATOM 1307 CD GLN A 83 -10.279 2.522 -4.710 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -9.300 3.225 -4.890 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -10.599 1.514 -5.561 1.00 0.00 N ATOM 0 H GLN A 83 -11.626 2.185 -0.906 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.442 5.133 -1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -11.096 4.850 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -9.861 4.004 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.141 1.836 -2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.259 2.719 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.425 0.941 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.014 1.329 -6.376 1.00 0.00 H new ATOM 1318 N GLN A 84 -13.791 5.322 -2.196 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.172 5.381 -2.646 1.00 0.00 C ATOM 1320 C GLN A 84 -15.221 5.224 -4.164 1.00 0.00 C ATOM 1321 O GLN A 84 -14.223 4.890 -4.807 1.00 0.00 O ATOM 1322 CB GLN A 84 -15.853 6.706 -2.202 1.00 0.00 C ATOM 1323 CG GLN A 84 -15.184 7.993 -2.749 1.00 0.00 C ATOM 1324 CD GLN A 84 -16.216 9.081 -3.048 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -16.575 9.308 -4.209 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -16.700 9.756 -1.985 1.00 0.00 N ATOM 0 H GLN A 84 -13.290 6.208 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 84 -15.726 4.563 -2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -16.894 6.689 -2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.857 6.750 -1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.462 8.365 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.629 7.757 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.372 9.531 -1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.394 10.491 -2.121 1.00 0.00 H new ATOM 1335 N GLN A 85 -16.378 5.507 -4.805 1.00 0.00 N ATOM 1336 CA GLN A 85 -16.512 5.461 -6.255 1.00 0.00 C ATOM 1337 C GLN A 85 -15.523 6.357 -7.002 1.00 0.00 C ATOM 1338 O GLN A 85 -14.900 5.926 -7.970 1.00 0.00 O ATOM 1339 CB GLN A 85 -17.965 5.787 -6.675 1.00 0.00 C ATOM 1340 CG GLN A 85 -18.213 5.578 -8.186 1.00 0.00 C ATOM 1341 CD GLN A 85 -19.704 5.564 -8.507 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -20.468 4.794 -7.912 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -20.143 6.385 -9.481 1.00 0.00 N ATOM 0 H GLN A 85 -17.236 5.772 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.265 4.440 -6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.652 5.158 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.190 6.821 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -17.725 6.373 -8.750 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -17.762 4.638 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.490 7.009 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -21.128 6.382 -9.745 1.00 0.00 H new ATOM 1352 N THR A 86 -15.320 7.599 -6.506 1.00 0.00 N ATOM 1353 CA THR A 86 -14.199 8.470 -6.862 1.00 0.00 C ATOM 1354 C THR A 86 -14.239 8.980 -8.289 1.00 0.00 C ATOM 1355 O THR A 86 -13.488 8.539 -9.160 1.00 0.00 O ATOM 1356 CB THR A 86 -12.811 7.892 -6.555 1.00 0.00 C ATOM 1357 OG1 THR A 86 -12.769 7.341 -5.243 1.00 0.00 O ATOM 1358 CG2 THR A 86 -11.736 8.991 -6.582 1.00 0.00 C ATOM 0 H THR A 86 -15.954 8.025 -5.830 1.00 0.00 H new ATOM 0 HA THR A 86 -14.349 9.320 -6.196 1.00 0.00 H new ATOM 0 HB THR A 86 -12.621 7.133 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.257 6.491 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.763 8.553 -6.361 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.711 9.451 -7.570 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.971 9.748 -5.834 1.00 0.00 H new ATOM 1366 N GLY A 87 -15.118 9.960 -8.580 1.00 0.00 N ATOM 1367 CA GLY A 87 -15.235 10.444 -9.950 1.00 0.00 C ATOM 1368 C GLY A 87 -16.131 11.636 -10.132 1.00 0.00 C ATOM 1369 O GLY A 87 -15.762 12.601 -10.804 1.00 0.00 O ATOM 0 H GLY A 87 -15.733 10.412 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.240 10.698 -10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -15.606 9.632 -10.575 1.00 0.00 H new ATOM 1373 N GLY A 88 -17.352 11.605 -9.583 1.00 0.00 N ATOM 1374 CA GLY A 88 -18.333 12.661 -9.788 1.00 0.00 C ATOM 1375 C GLY A 88 -19.284 12.814 -8.598 1.00 0.00 C ATOM 1376 O GLY A 88 -19.193 12.047 -7.604 1.00 0.00 O ATOM 1377 OXT GLY A 88 -20.123 13.761 -8.639 1.00 0.00 O ATOM 0 H GLY A 88 -17.680 10.846 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.816 13.605 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.911 12.446 -10.687 1.00 0.00 H new TER 1381 GLY A 88