USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.546 K(o=1.2,f=-14!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -168:sc= 0.662 (180deg=-0.648) USER MOD Set 2.1: A 34 ASN :FLIP amide:sc= 0.207 F(o=-1.1,f=0.4) USER MOD Set 2.2: A 54 TYR OH : rot -15:sc= 0.198 USER MOD Set 3.1: A 5 HIS : no HE2:sc= 0.651 K(o=0.73,f=-5.6!) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.0804 USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.18) USER MOD Single : A 8 SER OG : rot 67:sc= 0.625 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -76:sc= -0.23 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 35 LYS NZ :NH3+ 138:sc= -0.0299 (180deg=-0.32) USER MOD Single : A 44 THR OG1 : rot -73:sc= -0.253 USER MOD Single : A 46 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-8.5!) USER MOD Single : A 50 SER OG : rot -100:sc= 1.24 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -169:sc= 1.72 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0.454 (180deg=0.398) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 13.171 7.788 -9.302 1.00 0.00 N ATOM 2 CA GLU A 2 11.830 8.154 -8.885 1.00 0.00 C ATOM 3 C GLU A 2 11.862 8.503 -7.419 1.00 0.00 C ATOM 4 O GLU A 2 12.650 7.920 -6.669 1.00 0.00 O ATOM 5 CB GLU A 2 10.847 7.012 -9.157 1.00 0.00 C ATOM 6 CG GLU A 2 11.138 5.718 -8.416 1.00 0.00 C ATOM 7 CD GLU A 2 10.136 4.648 -8.751 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.984 4.733 -8.287 1.00 0.00 O ATOM 9 OE2 GLU A 2 10.469 3.727 -9.512 1.00 0.00 O ATOM 0 HA GLU A 2 11.489 9.017 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.844 7.346 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.842 6.806 -10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.140 5.371 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.127 5.903 -7.342 1.00 0.00 H new ATOM 16 N LEU A 3 11.060 9.460 -7.016 1.00 0.00 N ATOM 17 CA LEU A 3 10.996 9.891 -5.628 1.00 0.00 C ATOM 18 C LEU A 3 9.629 10.456 -5.350 1.00 0.00 C ATOM 19 O LEU A 3 8.911 10.836 -6.281 1.00 0.00 O ATOM 20 CB LEU A 3 12.056 10.977 -5.301 1.00 0.00 C ATOM 21 CG LEU A 3 13.532 10.548 -5.229 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.427 11.765 -5.050 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.746 9.575 -4.075 1.00 0.00 C ATOM 0 H LEU A 3 10.430 9.967 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 3 11.199 9.021 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.973 11.762 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.791 11.424 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 3 13.792 10.051 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.468 11.447 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.294 12.442 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.161 12.280 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.795 9.281 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.470 10.057 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.126 8.691 -4.225 1.00 0.00 H new ATOM 35 N LYS A 4 9.270 10.509 -4.098 1.00 0.00 N ATOM 36 CA LYS A 4 8.027 11.097 -3.690 1.00 0.00 C ATOM 37 C LYS A 4 8.252 11.889 -2.423 1.00 0.00 C ATOM 38 O LYS A 4 9.300 11.745 -1.778 1.00 0.00 O ATOM 39 CB LYS A 4 6.953 10.032 -3.405 1.00 0.00 C ATOM 40 CG LYS A 4 7.178 9.174 -2.146 1.00 0.00 C ATOM 41 CD LYS A 4 8.286 8.139 -2.290 1.00 0.00 C ATOM 42 CE LYS A 4 8.450 7.375 -0.994 1.00 0.00 C ATOM 43 NZ LYS A 4 9.459 6.297 -1.069 1.00 0.00 N ATOM 0 H LYS A 4 9.834 10.144 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 4 7.677 11.733 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.988 10.531 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.888 9.368 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.415 9.831 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.248 8.663 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.049 7.450 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.223 8.631 -2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.732 8.071 -0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.490 6.944 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.582 5.871 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.140 5.569 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.365 6.692 -1.392 1.00 0.00 H new ATOM 57 N HIS A 5 7.301 12.720 -2.064 1.00 0.00 N ATOM 58 CA HIS A 5 7.379 13.409 -0.791 1.00 0.00 C ATOM 59 C HIS A 5 6.608 12.615 0.278 1.00 0.00 C ATOM 60 O HIS A 5 6.993 12.591 1.443 1.00 0.00 O ATOM 61 CB HIS A 5 6.892 14.893 -0.878 1.00 0.00 C ATOM 62 CG HIS A 5 5.414 15.100 -1.078 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.760 14.905 -2.265 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.461 15.479 -0.190 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.470 15.149 -2.075 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.229 15.506 -0.831 1.00 0.00 N ATOM 0 H HIS A 5 6.476 12.935 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 5 8.429 13.461 -0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.188 15.404 0.038 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.420 15.379 -1.699 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.191 14.621 -3.145 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.633 15.721 0.848 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.715 15.066 -2.842 1.00 0.00 H new ATOM 74 N SER A 6 5.548 11.926 -0.139 1.00 0.00 N ATOM 75 CA SER A 6 4.715 11.166 0.779 1.00 0.00 C ATOM 76 C SER A 6 3.869 10.182 -0.016 1.00 0.00 C ATOM 77 O SER A 6 4.072 10.015 -1.224 1.00 0.00 O ATOM 78 CB SER A 6 3.783 12.128 1.524 1.00 0.00 C ATOM 79 OG SER A 6 2.877 12.751 0.613 1.00 0.00 O ATOM 0 H SER A 6 5.248 11.881 -1.113 1.00 0.00 H new ATOM 0 HA SER A 6 5.344 10.630 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.225 11.585 2.287 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.371 12.888 2.039 1.00 0.00 H new ATOM 0 HG SER A 6 2.288 13.361 1.104 1.00 0.00 H new ATOM 85 N ILE A 7 2.915 9.565 0.654 1.00 0.00 N ATOM 86 CA ILE A 7 1.954 8.680 0.025 1.00 0.00 C ATOM 87 C ILE A 7 1.012 9.494 -0.879 1.00 0.00 C ATOM 88 O ILE A 7 0.548 9.010 -1.900 1.00 0.00 O ATOM 89 CB ILE A 7 1.121 7.921 1.105 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.130 6.942 0.464 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.381 8.901 2.010 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.655 6.139 1.470 1.00 0.00 C ATOM 0 H ILE A 7 2.784 9.665 1.661 1.00 0.00 H new ATOM 0 HA ILE A 7 2.494 7.949 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 7 1.822 7.346 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.564 7.499 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.675 6.260 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.192 8.348 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.101 9.546 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.295 9.510 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.336 5.467 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.031 5.555 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.228 6.813 2.107 1.00 0.00 H new ATOM 104 N SER A 8 0.816 10.763 -0.524 1.00 0.00 N ATOM 105 CA SER A 8 -0.093 11.629 -1.235 1.00 0.00 C ATOM 106 C SER A 8 0.564 12.127 -2.530 1.00 0.00 C ATOM 107 O SER A 8 -0.069 12.768 -3.371 1.00 0.00 O ATOM 108 CB SER A 8 -0.535 12.797 -0.314 1.00 0.00 C ATOM 109 OG SER A 8 -1.588 13.556 -0.885 1.00 0.00 O ATOM 0 H SER A 8 1.286 11.209 0.264 1.00 0.00 H new ATOM 0 HA SER A 8 -0.989 11.076 -1.516 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.856 12.398 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.317 13.448 -0.120 1.00 0.00 H new ATOM 0 HG SER A 8 -2.398 13.007 -0.934 1.00 0.00 H new ATOM 115 N ASP A 9 1.841 11.833 -2.679 1.00 0.00 N ATOM 116 CA ASP A 9 2.568 12.158 -3.900 1.00 0.00 C ATOM 117 C ASP A 9 2.154 11.168 -4.969 1.00 0.00 C ATOM 118 O ASP A 9 1.984 11.514 -6.144 1.00 0.00 O ATOM 119 CB ASP A 9 4.049 12.008 -3.655 1.00 0.00 C ATOM 120 CG ASP A 9 4.915 12.583 -4.747 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.002 12.011 -5.836 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.561 13.624 -4.495 1.00 0.00 O ATOM 0 H ASP A 9 2.403 11.367 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 9 2.348 13.180 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.301 12.494 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.282 10.949 -3.541 1.00 0.00 H new ATOM 127 N TYR A 10 1.972 9.943 -4.534 1.00 0.00 N ATOM 128 CA TYR A 10 1.551 8.869 -5.383 1.00 0.00 C ATOM 129 C TYR A 10 0.089 9.026 -5.707 1.00 0.00 C ATOM 130 O TYR A 10 -0.710 9.416 -4.845 1.00 0.00 O ATOM 131 CB TYR A 10 1.743 7.504 -4.692 1.00 0.00 C ATOM 132 CG TYR A 10 3.161 6.964 -4.618 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.018 7.253 -3.554 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.627 6.114 -5.609 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.282 6.703 -3.504 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.892 5.575 -5.560 1.00 0.00 C ATOM 137 CZ TYR A 10 5.710 5.871 -4.505 1.00 0.00 C ATOM 138 OH TYR A 10 6.967 5.324 -4.441 1.00 0.00 O ATOM 0 H TYR A 10 2.117 9.667 -3.563 1.00 0.00 H new ATOM 0 HA TYR A 10 2.157 8.903 -6.288 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.356 7.581 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.128 6.771 -5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.689 7.912 -2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.982 5.869 -6.440 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.936 6.929 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.236 4.923 -6.349 1.00 0.00 H new ATOM 0 HH TYR A 10 7.117 4.757 -5.226 1.00 0.00 H new ATOM 148 N THR A 11 -0.260 8.785 -6.935 1.00 0.00 N ATOM 149 CA THR A 11 -1.640 8.735 -7.297 1.00 0.00 C ATOM 150 C THR A 11 -2.186 7.383 -6.884 1.00 0.00 C ATOM 151 O THR A 11 -1.394 6.473 -6.545 1.00 0.00 O ATOM 152 CB THR A 11 -1.846 8.934 -8.814 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.029 8.022 -9.540 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.522 10.351 -9.233 1.00 0.00 C ATOM 0 H THR A 11 0.393 8.620 -7.701 1.00 0.00 H new ATOM 0 HA THR A 11 -2.165 9.544 -6.790 1.00 0.00 H new ATOM 0 HB THR A 11 -2.896 8.744 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.100 8.334 -9.527 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.677 10.457 -10.307 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.173 11.045 -8.702 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.482 10.573 -8.993 1.00 0.00 H new ATOM 162 N GLU A 12 -3.503 7.231 -6.903 1.00 0.00 N ATOM 163 CA GLU A 12 -4.134 5.968 -6.560 1.00 0.00 C ATOM 164 C GLU A 12 -3.544 4.834 -7.400 1.00 0.00 C ATOM 165 O GLU A 12 -3.184 3.797 -6.871 1.00 0.00 O ATOM 166 CB GLU A 12 -5.646 6.043 -6.764 1.00 0.00 C ATOM 167 CG GLU A 12 -6.382 4.752 -6.441 1.00 0.00 C ATOM 168 CD GLU A 12 -7.850 4.851 -6.714 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.282 4.636 -7.869 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.612 5.147 -5.788 1.00 0.00 O ATOM 0 H GLU A 12 -4.157 7.973 -7.154 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.939 5.765 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.046 6.842 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.849 6.315 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.959 3.938 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.226 4.500 -5.392 1.00 0.00 H new ATOM 177 N ALA A 13 -3.379 5.083 -8.688 1.00 0.00 N ATOM 178 CA ALA A 13 -2.867 4.083 -9.607 1.00 0.00 C ATOM 179 C ALA A 13 -1.402 3.729 -9.326 1.00 0.00 C ATOM 180 O ALA A 13 -1.034 2.569 -9.392 1.00 0.00 O ATOM 181 CB ALA A 13 -3.053 4.535 -11.046 1.00 0.00 C ATOM 0 H ALA A 13 -3.595 5.980 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.446 3.173 -9.450 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.663 3.772 -11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.114 4.688 -11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.516 5.470 -11.206 1.00 0.00 H new ATOM 187 N GLU A 14 -0.578 4.722 -8.991 1.00 0.00 N ATOM 188 CA GLU A 14 0.856 4.473 -8.696 1.00 0.00 C ATOM 189 C GLU A 14 1.009 3.755 -7.391 1.00 0.00 C ATOM 190 O GLU A 14 1.886 2.919 -7.224 1.00 0.00 O ATOM 191 CB GLU A 14 1.634 5.757 -8.617 1.00 0.00 C ATOM 192 CG GLU A 14 1.659 6.565 -9.870 1.00 0.00 C ATOM 193 CD GLU A 14 2.265 7.898 -9.605 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.554 8.775 -9.081 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.458 8.093 -9.899 1.00 0.00 O ATOM 0 H GLU A 14 -0.862 5.699 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 14 1.245 3.863 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.214 6.368 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.660 5.524 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.230 6.043 -10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.646 6.687 -10.254 1.00 0.00 H new ATOM 202 N PHE A 15 0.169 4.086 -6.468 1.00 0.00 N ATOM 203 CA PHE A 15 0.171 3.434 -5.201 1.00 0.00 C ATOM 204 C PHE A 15 -0.359 2.043 -5.365 1.00 0.00 C ATOM 205 O PHE A 15 0.045 1.140 -4.693 1.00 0.00 O ATOM 206 CB PHE A 15 -0.617 4.222 -4.178 1.00 0.00 C ATOM 207 CG PHE A 15 -0.569 3.604 -2.841 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.435 3.925 -1.955 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.519 2.680 -2.473 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.484 3.336 -0.725 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.480 2.092 -1.261 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.476 2.415 -0.376 1.00 0.00 C ATOM 0 H PHE A 15 -0.537 4.815 -6.570 1.00 0.00 H new ATOM 0 HA PHE A 15 1.192 3.376 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.223 5.237 -4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.654 4.300 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.188 4.647 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.307 2.422 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.271 3.591 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.234 1.370 -0.985 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.442 1.944 0.595 1.00 0.00 H new ATOM 222 N LEU A 16 -1.248 1.873 -6.261 1.00 0.00 N ATOM 223 CA LEU A 16 -1.772 0.571 -6.530 1.00 0.00 C ATOM 224 C LEU A 16 -0.715 -0.278 -7.228 1.00 0.00 C ATOM 225 O LEU A 16 -0.756 -1.506 -7.219 1.00 0.00 O ATOM 226 CB LEU A 16 -3.082 0.718 -7.288 1.00 0.00 C ATOM 227 CG LEU A 16 -3.904 -0.507 -7.409 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.360 -0.152 -7.377 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.627 -1.198 -8.670 1.00 0.00 C ATOM 0 H LEU A 16 -1.640 2.620 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.009 0.032 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.679 1.485 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.859 1.083 -8.291 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.654 -1.160 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.958 -1.059 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.593 0.344 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.590 0.517 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.243 -2.095 -8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.858 -0.537 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.574 -1.477 -8.708 1.00 0.00 H new ATOM 241 N GLU A 17 0.233 0.382 -7.787 1.00 0.00 N ATOM 242 CA GLU A 17 1.395 -0.277 -8.306 1.00 0.00 C ATOM 243 C GLU A 17 2.321 -0.697 -7.135 1.00 0.00 C ATOM 244 O GLU A 17 3.136 -1.573 -7.317 1.00 0.00 O ATOM 245 CB GLU A 17 2.199 0.597 -9.282 1.00 0.00 C ATOM 246 CG GLU A 17 1.469 1.043 -10.529 1.00 0.00 C ATOM 247 CD GLU A 17 2.342 1.911 -11.411 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.345 3.154 -11.246 1.00 0.00 O ATOM 249 OE2 GLU A 17 3.048 1.369 -12.294 1.00 0.00 O ATOM 0 H GLU A 17 0.234 1.395 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 17 1.040 -1.146 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.540 1.484 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.089 0.045 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.141 0.168 -11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.573 1.596 -10.248 1.00 0.00 H new ATOM 256 N PHE A 18 2.178 -0.050 -5.929 1.00 0.00 N ATOM 257 CA PHE A 18 3.009 -0.393 -4.713 1.00 0.00 C ATOM 258 C PHE A 18 2.883 -1.851 -4.460 1.00 0.00 C ATOM 259 O PHE A 18 3.851 -2.592 -4.420 1.00 0.00 O ATOM 260 CB PHE A 18 2.574 0.425 -3.375 1.00 0.00 C ATOM 261 CG PHE A 18 1.787 -0.344 -2.209 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.386 -0.491 -2.217 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.469 -0.902 -1.122 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.286 -1.173 -1.176 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.785 -1.575 -0.097 1.00 0.00 C ATOM 266 CZ PHE A 18 0.421 -1.706 -0.131 1.00 0.00 C ATOM 0 H PHE A 18 1.506 0.701 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 18 4.038 -0.105 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.480 0.844 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.954 1.264 -3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.186 -0.075 -3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.544 -0.813 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.361 -1.274 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.341 -1.995 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.094 -2.227 0.663 1.00 0.00 H new ATOM 276 N VAL A 19 1.671 -2.245 -4.392 1.00 0.00 N ATOM 277 CA VAL A 19 1.307 -3.576 -4.042 1.00 0.00 C ATOM 278 C VAL A 19 1.603 -4.554 -5.166 1.00 0.00 C ATOM 279 O VAL A 19 2.005 -5.681 -4.921 1.00 0.00 O ATOM 280 CB VAL A 19 -0.167 -3.617 -3.589 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.091 -3.122 -4.663 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.572 -4.970 -3.047 1.00 0.00 C ATOM 0 H VAL A 19 0.874 -1.638 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 19 1.921 -3.898 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.260 -2.925 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.120 -3.166 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.838 -2.092 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.987 -3.748 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.618 -4.942 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.439 -5.726 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.049 -5.218 -2.186 1.00 0.00 H new ATOM 292 N LYS A 20 1.434 -4.112 -6.388 1.00 0.00 N ATOM 293 CA LYS A 20 1.748 -4.949 -7.522 1.00 0.00 C ATOM 294 C LYS A 20 3.260 -5.175 -7.608 1.00 0.00 C ATOM 295 O LYS A 20 3.728 -6.278 -7.897 1.00 0.00 O ATOM 296 CB LYS A 20 1.237 -4.344 -8.805 1.00 0.00 C ATOM 297 CG LYS A 20 -0.264 -4.258 -8.861 1.00 0.00 C ATOM 298 CD LYS A 20 -0.704 -3.842 -10.221 1.00 0.00 C ATOM 299 CE LYS A 20 -2.198 -3.757 -10.345 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.636 -3.537 -11.747 1.00 0.00 N ATOM 0 H LYS A 20 1.083 -3.184 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 20 1.251 -5.909 -7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.657 -3.345 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.592 -4.938 -9.647 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.701 -5.224 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.623 -3.543 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.268 -2.872 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.322 -4.552 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.645 -4.677 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.566 -2.944 -9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.674 -3.485 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.233 -2.646 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.308 -4.325 -12.341 1.00 0.00 H new ATOM 314 N LYS A 21 4.012 -4.114 -7.308 1.00 0.00 N ATOM 315 CA LYS A 21 5.470 -4.145 -7.269 1.00 0.00 C ATOM 316 C LYS A 21 5.903 -5.099 -6.170 1.00 0.00 C ATOM 317 O LYS A 21 6.865 -5.822 -6.326 1.00 0.00 O ATOM 318 CB LYS A 21 6.036 -2.732 -6.984 1.00 0.00 C ATOM 319 CG LYS A 21 7.562 -2.625 -7.047 1.00 0.00 C ATOM 320 CD LYS A 21 8.087 -1.324 -6.419 1.00 0.00 C ATOM 321 CE LYS A 21 7.615 -0.048 -7.127 1.00 0.00 C ATOM 322 NZ LYS A 21 8.169 0.100 -8.496 1.00 0.00 N ATOM 0 H LYS A 21 3.618 -3.200 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 21 5.852 -4.479 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.607 -2.033 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.705 -2.416 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.004 -3.478 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.884 -2.679 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.773 -1.285 -5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.177 -1.346 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.526 -0.052 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.902 0.818 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.814 0.980 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.207 0.133 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.875 -0.709 -9.079 1.00 0.00 H new ATOM 336 N ILE A 22 5.167 -5.086 -5.066 1.00 0.00 N ATOM 337 CA ILE A 22 5.416 -5.988 -3.955 1.00 0.00 C ATOM 338 C ILE A 22 5.068 -7.416 -4.338 1.00 0.00 C ATOM 339 O ILE A 22 5.808 -8.332 -4.050 1.00 0.00 O ATOM 340 CB ILE A 22 4.646 -5.566 -2.676 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.161 -4.210 -2.202 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.805 -6.617 -1.571 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.444 -3.641 -1.019 1.00 0.00 C ATOM 0 H ILE A 22 4.383 -4.450 -4.918 1.00 0.00 H new ATOM 0 HA ILE A 22 6.480 -5.932 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 22 3.584 -5.488 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.219 -4.305 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.089 -3.502 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.256 -6.299 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.411 -7.572 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.861 -6.728 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.881 -2.677 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.390 -3.507 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.538 -4.323 -0.174 1.00 0.00 H new ATOM 355 N CYS A 23 3.974 -7.594 -5.035 1.00 0.00 N ATOM 356 CA CYS A 23 3.553 -8.911 -5.468 1.00 0.00 C ATOM 357 C CYS A 23 4.635 -9.545 -6.364 1.00 0.00 C ATOM 358 O CYS A 23 4.857 -10.745 -6.321 1.00 0.00 O ATOM 359 CB CYS A 23 2.195 -8.833 -6.188 1.00 0.00 C ATOM 360 SG CYS A 23 1.447 -10.432 -6.578 1.00 0.00 S ATOM 0 H CYS A 23 3.351 -6.838 -5.319 1.00 0.00 H new ATOM 0 HA CYS A 23 3.425 -9.550 -4.594 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.502 -8.266 -5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.323 -8.273 -7.114 1.00 0.00 H new ATOM 0 HG CYS A 23 0.310 -10.244 -7.179 1.00 0.00 H new ATOM 366 N ARG A 24 5.349 -8.720 -7.114 1.00 0.00 N ATOM 367 CA ARG A 24 6.415 -9.199 -7.985 1.00 0.00 C ATOM 368 C ARG A 24 7.802 -9.011 -7.328 1.00 0.00 C ATOM 369 O ARG A 24 8.829 -9.280 -7.939 1.00 0.00 O ATOM 370 CB ARG A 24 6.385 -8.476 -9.334 1.00 0.00 C ATOM 371 CG ARG A 24 6.854 -7.046 -9.267 1.00 0.00 C ATOM 372 CD ARG A 24 6.854 -6.392 -10.619 1.00 0.00 C ATOM 373 NE ARG A 24 7.562 -5.096 -10.587 1.00 0.00 N ATOM 374 CZ ARG A 24 7.281 -4.025 -11.356 1.00 0.00 C ATOM 375 NH1 ARG A 24 6.175 -4.006 -12.103 1.00 0.00 N ATOM 376 NH2 ARG A 24 8.092 -2.956 -11.331 1.00 0.00 N ATOM 0 H ARG A 24 5.210 -7.710 -7.138 1.00 0.00 H new ATOM 0 HA ARG A 24 6.246 -10.263 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.010 -9.021 -10.042 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.368 -8.497 -9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.209 -6.484 -8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.860 -7.013 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.330 -7.051 -11.345 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.827 -6.240 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 24 8.332 -5.003 -9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.539 -4.804 -12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.966 -3.194 -12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.917 -2.956 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.883 -2.144 -11.911 1.00 0.00 H new ATOM 390 N ALA A 25 7.814 -8.592 -6.075 1.00 0.00 N ATOM 391 CA ALA A 25 9.040 -8.208 -5.342 1.00 0.00 C ATOM 392 C ALA A 25 9.883 -9.376 -4.857 1.00 0.00 C ATOM 393 O ALA A 25 10.671 -9.200 -3.923 1.00 0.00 O ATOM 394 CB ALA A 25 8.722 -7.289 -4.182 1.00 0.00 C ATOM 0 H ALA A 25 6.966 -8.502 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 25 9.646 -7.682 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.644 -7.025 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.244 -6.384 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.049 -7.796 -3.490 1.00 0.00 H new ATOM 400 N GLU A 26 9.732 -10.546 -5.487 1.00 0.00 N ATOM 401 CA GLU A 26 10.503 -11.746 -5.144 1.00 0.00 C ATOM 402 C GLU A 26 11.987 -11.430 -4.931 1.00 0.00 C ATOM 403 O GLU A 26 12.569 -11.844 -3.919 1.00 0.00 O ATOM 404 CB GLU A 26 10.314 -12.851 -6.201 1.00 0.00 C ATOM 405 CG GLU A 26 10.662 -12.442 -7.626 1.00 0.00 C ATOM 406 CD GLU A 26 10.412 -13.537 -8.615 1.00 0.00 C ATOM 407 OE1 GLU A 26 9.290 -13.638 -9.127 1.00 0.00 O ATOM 408 OE2 GLU A 26 11.330 -14.327 -8.899 1.00 0.00 O ATOM 0 H GLU A 26 9.071 -10.688 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 26 10.114 -12.119 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.929 -13.707 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.276 -13.183 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.075 -11.566 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.711 -12.149 -7.670 1.00 0.00 H new ATOM 415 N GLY A 27 12.560 -10.643 -5.848 1.00 0.00 N ATOM 416 CA GLY A 27 13.930 -10.217 -5.747 1.00 0.00 C ATOM 417 C GLY A 27 14.864 -11.373 -5.583 1.00 0.00 C ATOM 418 O GLY A 27 14.874 -12.301 -6.411 1.00 0.00 O ATOM 0 H GLY A 27 12.075 -10.292 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.202 -9.655 -6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.038 -9.540 -4.899 1.00 0.00 H new ATOM 422 N ALA A 28 15.642 -11.339 -4.539 1.00 0.00 N ATOM 423 CA ALA A 28 16.537 -12.426 -4.254 1.00 0.00 C ATOM 424 C ALA A 28 16.140 -13.143 -2.969 1.00 0.00 C ATOM 425 O ALA A 28 16.389 -14.339 -2.801 1.00 0.00 O ATOM 426 CB ALA A 28 17.979 -11.953 -4.201 1.00 0.00 C ATOM 0 H ALA A 28 15.675 -10.570 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 28 16.458 -13.144 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.632 -12.799 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.255 -11.519 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.087 -11.201 -3.419 1.00 0.00 H new ATOM 432 N THR A 29 15.541 -12.419 -2.055 1.00 0.00 N ATOM 433 CA THR A 29 15.125 -12.970 -0.786 1.00 0.00 C ATOM 434 C THR A 29 13.922 -12.149 -0.312 1.00 0.00 C ATOM 435 O THR A 29 13.748 -11.006 -0.763 1.00 0.00 O ATOM 436 CB THR A 29 16.268 -12.843 0.261 1.00 0.00 C ATOM 437 OG1 THR A 29 17.536 -13.152 -0.354 1.00 0.00 O ATOM 438 CG2 THR A 29 16.055 -13.806 1.425 1.00 0.00 C ATOM 0 H THR A 29 15.327 -11.428 -2.170 1.00 0.00 H new ATOM 0 HA THR A 29 14.874 -14.025 -0.896 1.00 0.00 H new ATOM 0 HB THR A 29 16.263 -11.818 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.251 -13.068 0.311 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.869 -13.696 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.107 -13.581 1.914 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.037 -14.830 1.051 1.00 0.00 H new ATOM 446 N GLU A 30 13.128 -12.700 0.596 1.00 0.00 N ATOM 447 CA GLU A 30 11.928 -12.032 1.102 1.00 0.00 C ATOM 448 C GLU A 30 12.228 -10.727 1.845 1.00 0.00 C ATOM 449 O GLU A 30 11.349 -9.913 2.018 1.00 0.00 O ATOM 450 CB GLU A 30 11.067 -12.959 1.962 1.00 0.00 C ATOM 451 CG GLU A 30 11.764 -13.514 3.187 1.00 0.00 C ATOM 452 CD GLU A 30 10.817 -14.261 4.084 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.492 -15.425 3.799 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.390 -13.707 5.106 1.00 0.00 O ATOM 0 H GLU A 30 13.293 -13.620 1.004 1.00 0.00 H new ATOM 0 HA GLU A 30 11.355 -11.766 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.179 -12.414 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.726 -13.791 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.569 -14.179 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.223 -12.697 3.744 1.00 0.00 H new ATOM 461 N GLU A 31 13.465 -10.532 2.277 1.00 0.00 N ATOM 462 CA GLU A 31 13.846 -9.271 2.910 1.00 0.00 C ATOM 463 C GLU A 31 13.739 -8.108 1.918 1.00 0.00 C ATOM 464 O GLU A 31 13.380 -6.993 2.289 1.00 0.00 O ATOM 465 CB GLU A 31 15.255 -9.333 3.489 1.00 0.00 C ATOM 466 CG GLU A 31 16.315 -9.764 2.507 1.00 0.00 C ATOM 467 CD GLU A 31 17.686 -9.517 3.030 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.178 -10.309 3.849 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.307 -8.512 2.632 1.00 0.00 O ATOM 0 H GLU A 31 14.216 -11.219 2.204 1.00 0.00 H new ATOM 0 HA GLU A 31 13.150 -9.102 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.517 -8.350 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.257 -10.022 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.196 -10.825 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.182 -9.226 1.569 1.00 0.00 H new ATOM 476 N ASP A 32 14.009 -8.404 0.649 1.00 0.00 N ATOM 477 CA ASP A 32 13.955 -7.405 -0.420 1.00 0.00 C ATOM 478 C ASP A 32 12.505 -6.994 -0.636 1.00 0.00 C ATOM 479 O ASP A 32 12.176 -5.814 -0.810 1.00 0.00 O ATOM 480 CB ASP A 32 14.576 -7.984 -1.712 1.00 0.00 C ATOM 481 CG ASP A 32 14.590 -7.003 -2.861 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.730 -5.793 -2.625 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.524 -7.439 -4.023 1.00 0.00 O ATOM 0 H ASP A 32 14.270 -9.338 0.332 1.00 0.00 H new ATOM 0 HA ASP A 32 14.531 -6.522 -0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.597 -8.304 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.018 -8.872 -2.009 1.00 0.00 H new ATOM 488 N ASP A 33 11.661 -7.985 -0.545 1.00 0.00 N ATOM 489 CA ASP A 33 10.209 -7.862 -0.624 1.00 0.00 C ATOM 490 C ASP A 33 9.703 -7.052 0.584 1.00 0.00 C ATOM 491 O ASP A 33 9.065 -6.000 0.441 1.00 0.00 O ATOM 492 CB ASP A 33 9.645 -9.294 -0.587 1.00 0.00 C ATOM 493 CG ASP A 33 8.143 -9.420 -0.629 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.492 -9.350 0.425 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.607 -9.727 -1.694 1.00 0.00 O ATOM 0 H ASP A 33 11.968 -8.948 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 33 9.893 -7.348 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.059 -9.847 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.004 -9.780 0.320 1.00 0.00 H new ATOM 500 N ASN A 34 10.076 -7.523 1.761 1.00 0.00 N ATOM 501 CA ASN A 34 9.705 -6.937 3.054 1.00 0.00 C ATOM 502 C ASN A 34 10.097 -5.478 3.207 1.00 0.00 C ATOM 503 O ASN A 34 9.312 -4.677 3.726 1.00 0.00 O ATOM 504 CB ASN A 34 10.269 -7.787 4.208 1.00 0.00 C ATOM 505 CG ASN A 34 10.172 -7.138 5.578 1.00 0.00 C ATOM 506 OD1 ASN A 34 11.269 -6.570 6.039 1.00 0.00 O flip ATOM 507 ND2 ASN A 34 9.139 -7.212 6.245 1.00 0.00 N flip ATOM 0 H ASN A 34 10.665 -8.351 1.855 1.00 0.00 H new ATOM 0 HA ASN A 34 8.616 -6.949 3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.739 -8.739 4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.315 -8.010 4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.310 -7.659 5.853 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.113 -6.826 7.189 1.00 0.00 H new ATOM 514 N LYS A 35 11.282 -5.102 2.751 1.00 0.00 N ATOM 515 CA LYS A 35 11.690 -3.716 2.889 1.00 0.00 C ATOM 516 C LYS A 35 10.813 -2.787 2.042 1.00 0.00 C ATOM 517 O LYS A 35 10.580 -1.643 2.430 1.00 0.00 O ATOM 518 CB LYS A 35 13.185 -3.489 2.624 1.00 0.00 C ATOM 519 CG LYS A 35 13.651 -3.812 1.226 1.00 0.00 C ATOM 520 CD LYS A 35 15.113 -3.453 1.046 1.00 0.00 C ATOM 521 CE LYS A 35 15.587 -3.749 -0.361 1.00 0.00 C ATOM 522 NZ LYS A 35 14.806 -3.013 -1.377 1.00 0.00 N ATOM 0 H LYS A 35 11.958 -5.716 2.296 1.00 0.00 H new ATOM 0 HA LYS A 35 11.536 -3.459 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.420 -2.446 2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.757 -4.093 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.506 -4.874 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.047 -3.266 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.259 -2.395 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.717 -4.013 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.640 -3.483 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.511 -4.820 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.448 -2.641 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.117 -3.655 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.303 -2.224 -0.923 1.00 0.00 H new ATOM 536 N LEU A 36 10.298 -3.286 0.909 1.00 0.00 N ATOM 537 CA LEU A 36 9.367 -2.497 0.105 1.00 0.00 C ATOM 538 C LEU A 36 8.075 -2.344 0.854 1.00 0.00 C ATOM 539 O LEU A 36 7.510 -1.273 0.908 1.00 0.00 O ATOM 540 CB LEU A 36 9.098 -3.109 -1.278 1.00 0.00 C ATOM 541 CG LEU A 36 10.272 -3.122 -2.253 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.878 -3.841 -3.527 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.698 -1.696 -2.574 1.00 0.00 C ATOM 0 H LEU A 36 10.507 -4.213 0.538 1.00 0.00 H new ATOM 0 HA LEU A 36 9.830 -1.526 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.759 -4.135 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.276 -2.562 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 36 11.109 -3.647 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.721 -3.846 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.595 -4.867 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.034 -3.328 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.536 -1.715 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.863 -1.160 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.000 -1.191 -1.656 1.00 0.00 H new ATOM 555 N VAL A 37 7.641 -3.413 1.475 1.00 0.00 N ATOM 556 CA VAL A 37 6.427 -3.388 2.271 1.00 0.00 C ATOM 557 C VAL A 37 6.557 -2.342 3.385 1.00 0.00 C ATOM 558 O VAL A 37 5.684 -1.506 3.557 1.00 0.00 O ATOM 559 CB VAL A 37 6.115 -4.774 2.891 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.816 -4.718 3.650 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.052 -5.856 1.824 1.00 0.00 C ATOM 0 H VAL A 37 8.110 -4.319 1.447 1.00 0.00 H new ATOM 0 HA VAL A 37 5.602 -3.125 1.608 1.00 0.00 H new ATOM 0 HB VAL A 37 6.923 -5.027 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.605 -5.696 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.892 -3.978 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.010 -4.439 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.832 -6.816 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.269 -5.614 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.011 -5.915 1.309 1.00 0.00 H new ATOM 571 N ARG A 38 7.683 -2.362 4.077 1.00 0.00 N ATOM 572 CA ARG A 38 7.945 -1.419 5.165 1.00 0.00 C ATOM 573 C ARG A 38 8.049 0.024 4.677 1.00 0.00 C ATOM 574 O ARG A 38 7.635 0.952 5.373 1.00 0.00 O ATOM 575 CB ARG A 38 9.167 -1.833 5.965 1.00 0.00 C ATOM 576 CG ARG A 38 8.949 -3.137 6.683 1.00 0.00 C ATOM 577 CD ARG A 38 10.099 -3.502 7.575 1.00 0.00 C ATOM 578 NE ARG A 38 9.773 -4.669 8.402 1.00 0.00 N ATOM 579 CZ ARG A 38 10.651 -5.375 9.119 1.00 0.00 C ATOM 580 NH1 ARG A 38 11.956 -5.134 9.007 1.00 0.00 N ATOM 581 NH2 ARG A 38 10.225 -6.349 9.906 1.00 0.00 N ATOM 0 H ARG A 38 8.440 -3.024 3.907 1.00 0.00 H new ATOM 0 HA ARG A 38 7.083 -1.454 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.024 -1.924 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.408 -1.055 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.038 -3.072 7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.796 -3.930 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.980 -3.715 6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.350 -2.656 8.216 1.00 0.00 H new ATOM 0 HE ARG A 38 8.797 -4.965 8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.288 -4.408 8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.624 -5.675 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.229 -6.559 9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.893 -6.890 10.455 1.00 0.00 H new ATOM 595 N GLU A 39 8.570 0.198 3.470 1.00 0.00 N ATOM 596 CA GLU A 39 8.651 1.477 2.805 1.00 0.00 C ATOM 597 C GLU A 39 7.251 2.062 2.688 1.00 0.00 C ATOM 598 O GLU A 39 6.980 3.219 3.066 1.00 0.00 O ATOM 599 CB GLU A 39 9.185 1.181 1.419 1.00 0.00 C ATOM 600 CG GLU A 39 9.054 2.265 0.403 1.00 0.00 C ATOM 601 CD GLU A 39 10.048 3.378 0.590 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.263 3.142 0.394 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.652 4.507 0.931 1.00 0.00 O ATOM 0 H GLU A 39 8.955 -0.569 2.919 1.00 0.00 H new ATOM 0 HA GLU A 39 9.283 2.183 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.241 0.925 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.674 0.296 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.180 1.838 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.046 2.676 0.448 1.00 0.00 H new ATOM 610 N PHE A 40 6.369 1.235 2.206 1.00 0.00 N ATOM 611 CA PHE A 40 5.030 1.608 1.960 1.00 0.00 C ATOM 612 C PHE A 40 4.199 1.684 3.236 1.00 0.00 C ATOM 613 O PHE A 40 3.323 2.538 3.345 1.00 0.00 O ATOM 614 CB PHE A 40 4.441 0.720 0.886 1.00 0.00 C ATOM 615 CG PHE A 40 5.062 0.967 -0.486 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.821 2.146 -1.173 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.882 0.024 -1.074 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.392 2.370 -2.416 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.452 0.237 -2.310 1.00 0.00 C ATOM 620 CZ PHE A 40 6.211 1.410 -2.983 1.00 0.00 C ATOM 0 H PHE A 40 6.578 0.264 1.972 1.00 0.00 H new ATOM 0 HA PHE A 40 5.012 2.628 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.586 -0.324 1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.366 0.889 0.830 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.182 2.898 -0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.081 -0.901 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.198 3.293 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.088 -0.517 -2.749 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.659 1.582 -3.951 1.00 0.00 H new ATOM 630 N GLU A 41 4.471 0.817 4.209 1.00 0.00 N ATOM 631 CA GLU A 41 3.859 0.920 5.528 1.00 0.00 C ATOM 632 C GLU A 41 4.182 2.246 6.169 1.00 0.00 C ATOM 633 O GLU A 41 3.351 2.822 6.855 1.00 0.00 O ATOM 634 CB GLU A 41 4.309 -0.188 6.440 1.00 0.00 C ATOM 635 CG GLU A 41 3.601 -1.497 6.246 1.00 0.00 C ATOM 636 CD GLU A 41 4.074 -2.517 7.227 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.238 -2.944 7.163 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.283 -2.902 8.122 1.00 0.00 O ATOM 0 H GLU A 41 5.115 0.032 4.106 1.00 0.00 H new ATOM 0 HA GLU A 41 2.782 0.837 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.378 -0.345 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.171 0.133 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.526 -1.352 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.770 -1.858 5.232 1.00 0.00 H new ATOM 645 N ARG A 42 5.387 2.726 5.935 1.00 0.00 N ATOM 646 CA ARG A 42 5.804 4.013 6.434 1.00 0.00 C ATOM 647 C ARG A 42 4.924 5.105 5.829 1.00 0.00 C ATOM 648 O ARG A 42 4.359 5.927 6.543 1.00 0.00 O ATOM 649 CB ARG A 42 7.263 4.258 6.067 1.00 0.00 C ATOM 650 CG ARG A 42 7.831 5.563 6.587 1.00 0.00 C ATOM 651 CD ARG A 42 7.810 5.614 8.100 1.00 0.00 C ATOM 652 NE ARG A 42 8.333 6.875 8.593 1.00 0.00 N ATOM 653 CZ ARG A 42 8.862 7.066 9.799 1.00 0.00 C ATOM 654 NH1 ARG A 42 8.911 6.060 10.691 1.00 0.00 N ATOM 655 NH2 ARG A 42 9.346 8.266 10.115 1.00 0.00 N ATOM 0 H ARG A 42 6.099 2.234 5.395 1.00 0.00 H new ATOM 0 HA ARG A 42 5.703 4.032 7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.865 3.435 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.359 4.241 4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.855 5.682 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.255 6.397 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.789 5.477 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.401 4.791 8.502 1.00 0.00 H new ATOM 0 HE ARG A 42 8.292 7.678 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.541 5.142 10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.318 6.215 11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.309 9.026 9.436 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.754 8.425 11.036 1.00 0.00 H new ATOM 669 N LEU A 43 4.791 5.054 4.515 1.00 0.00 N ATOM 670 CA LEU A 43 4.006 6.024 3.749 1.00 0.00 C ATOM 671 C LEU A 43 2.533 5.993 4.140 1.00 0.00 C ATOM 672 O LEU A 43 1.918 7.033 4.379 1.00 0.00 O ATOM 673 CB LEU A 43 4.141 5.745 2.251 1.00 0.00 C ATOM 674 CG LEU A 43 5.548 5.851 1.676 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.550 5.414 0.228 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.058 7.282 1.798 1.00 0.00 C ATOM 0 H LEU A 43 5.226 4.334 3.939 1.00 0.00 H new ATOM 0 HA LEU A 43 4.398 7.015 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.764 4.742 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.497 6.440 1.713 1.00 0.00 H new ATOM 0 HG LEU A 43 6.211 5.196 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.560 5.493 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.212 4.380 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.879 6.054 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.064 7.346 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.396 7.952 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.079 7.573 2.848 1.00 0.00 H new ATOM 688 N THR A 44 1.985 4.801 4.208 1.00 0.00 N ATOM 689 CA THR A 44 0.591 4.605 4.530 1.00 0.00 C ATOM 690 C THR A 44 0.311 4.944 5.969 1.00 0.00 C ATOM 691 O THR A 44 -0.796 5.399 6.300 1.00 0.00 O ATOM 692 CB THR A 44 0.165 3.143 4.266 1.00 0.00 C ATOM 693 OG1 THR A 44 1.018 2.256 4.988 1.00 0.00 O ATOM 694 CG2 THR A 44 0.268 2.811 2.810 1.00 0.00 C ATOM 0 H THR A 44 2.498 3.935 4.040 1.00 0.00 H new ATOM 0 HA THR A 44 0.016 5.273 3.888 1.00 0.00 H new ATOM 0 HB THR A 44 -0.869 3.030 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.900 2.232 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.037 1.777 2.650 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.382 3.474 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.299 2.940 2.479 1.00 0.00 H new ATOM 702 N GLU A 45 1.334 4.727 6.815 1.00 0.00 N ATOM 703 CA GLU A 45 1.267 4.868 8.248 1.00 0.00 C ATOM 704 C GLU A 45 0.352 3.759 8.779 1.00 0.00 C ATOM 705 O GLU A 45 -0.093 3.771 9.939 1.00 0.00 O ATOM 706 CB GLU A 45 0.769 6.270 8.634 1.00 0.00 C ATOM 707 CG GLU A 45 1.011 6.627 10.066 1.00 0.00 C ATOM 708 CD GLU A 45 0.532 8.002 10.407 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.160 8.994 9.974 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.468 8.128 11.110 1.00 0.00 O ATOM 0 H GLU A 45 2.257 4.439 6.489 1.00 0.00 H new ATOM 0 HA GLU A 45 2.255 4.765 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.260 7.007 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.300 6.334 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.509 5.902 10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.078 6.555 10.279 1.00 0.00 H new ATOM 717 N HIS A 46 0.145 2.752 7.931 1.00 0.00 N ATOM 718 CA HIS A 46 -0.795 1.717 8.200 1.00 0.00 C ATOM 719 C HIS A 46 -0.142 0.573 9.001 1.00 0.00 C ATOM 720 O HIS A 46 0.824 -0.036 8.555 1.00 0.00 O ATOM 721 CB HIS A 46 -1.455 1.197 6.886 1.00 0.00 C ATOM 722 CG HIS A 46 -2.666 0.326 7.117 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.913 -0.288 8.297 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.722 0.025 6.323 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.040 -0.920 8.236 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.602 -0.780 7.050 1.00 0.00 N ATOM 0 H HIS A 46 0.636 2.650 7.043 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.590 2.137 8.816 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.744 2.051 6.273 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.716 0.632 6.318 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.860 0.352 5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.466 -1.488 9.050 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.488 -1.174 6.733 1.00 0.00 H new ATOM 734 N PRO A 47 -0.695 0.285 10.204 1.00 0.00 N ATOM 735 CA PRO A 47 -0.221 -0.767 11.106 1.00 0.00 C ATOM 736 C PRO A 47 -0.155 -2.155 10.485 1.00 0.00 C ATOM 737 O PRO A 47 0.816 -2.880 10.635 1.00 0.00 O ATOM 738 CB PRO A 47 -1.293 -0.808 12.186 1.00 0.00 C ATOM 739 CG PRO A 47 -2.353 0.125 11.811 1.00 0.00 C ATOM 740 CD PRO A 47 -1.779 1.038 10.823 1.00 0.00 C ATOM 0 HA PRO A 47 0.794 -0.539 11.430 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.693 -1.817 12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.870 -0.534 13.153 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.208 -0.408 11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.712 0.673 12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.522 1.340 10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.409 1.949 11.294 1.00 0.00 H new ATOM 748 N ASP A 48 -1.198 -2.499 9.784 1.00 0.00 N ATOM 749 CA ASP A 48 -1.372 -3.800 9.218 1.00 0.00 C ATOM 750 C ASP A 48 -1.009 -3.760 7.780 1.00 0.00 C ATOM 751 O ASP A 48 -1.349 -4.648 7.044 1.00 0.00 O ATOM 752 CB ASP A 48 -2.828 -4.275 9.351 1.00 0.00 C ATOM 753 CG ASP A 48 -3.214 -4.724 10.737 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.372 -3.871 11.644 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.422 -5.934 10.936 1.00 0.00 O ATOM 0 H ASP A 48 -1.970 -1.862 9.587 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.729 -4.496 9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.491 -3.464 9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.993 -5.099 8.657 1.00 0.00 H new ATOM 760 N GLY A 49 -0.311 -2.708 7.391 1.00 0.00 N ATOM 761 CA GLY A 49 0.146 -2.555 5.982 1.00 0.00 C ATOM 762 C GLY A 49 0.877 -3.750 5.464 1.00 0.00 C ATOM 763 O GLY A 49 0.707 -4.137 4.310 1.00 0.00 O ATOM 0 H GLY A 49 -0.040 -1.943 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.718 -2.363 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.795 -1.682 5.911 1.00 0.00 H new ATOM 767 N SER A 50 1.638 -4.359 6.305 1.00 0.00 N ATOM 768 CA SER A 50 2.331 -5.551 5.922 1.00 0.00 C ATOM 769 C SER A 50 1.385 -6.733 5.931 1.00 0.00 C ATOM 770 O SER A 50 1.337 -7.518 4.981 1.00 0.00 O ATOM 771 CB SER A 50 3.528 -5.768 6.822 1.00 0.00 C ATOM 772 OG SER A 50 3.187 -5.508 8.170 1.00 0.00 O ATOM 0 H SER A 50 1.800 -4.055 7.265 1.00 0.00 H new ATOM 0 HA SER A 50 2.704 -5.444 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.885 -6.793 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.345 -5.115 6.515 1.00 0.00 H new ATOM 0 HG SER A 50 3.495 -4.611 8.418 1.00 0.00 H new ATOM 778 N ASP A 51 0.571 -6.798 6.962 1.00 0.00 N ATOM 779 CA ASP A 51 -0.389 -7.873 7.137 1.00 0.00 C ATOM 780 C ASP A 51 -1.430 -7.905 6.036 1.00 0.00 C ATOM 781 O ASP A 51 -1.949 -8.941 5.744 1.00 0.00 O ATOM 782 CB ASP A 51 -1.054 -7.850 8.515 1.00 0.00 C ATOM 783 CG ASP A 51 -0.099 -8.205 9.629 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.468 -9.304 9.607 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.108 -7.384 10.551 1.00 0.00 O ATOM 0 H ASP A 51 0.554 -6.103 7.709 1.00 0.00 H new ATOM 0 HA ASP A 51 0.189 -8.795 7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.467 -6.858 8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.890 -8.549 8.522 1.00 0.00 H new ATOM 790 N LEU A 52 -1.707 -6.760 5.417 1.00 0.00 N ATOM 791 CA LEU A 52 -2.639 -6.673 4.275 1.00 0.00 C ATOM 792 C LEU A 52 -2.149 -7.534 3.138 1.00 0.00 C ATOM 793 O LEU A 52 -2.934 -8.199 2.449 1.00 0.00 O ATOM 794 CB LEU A 52 -2.749 -5.215 3.765 1.00 0.00 C ATOM 795 CG LEU A 52 -3.292 -4.192 4.752 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.341 -2.835 4.103 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.670 -4.595 5.267 1.00 0.00 C ATOM 0 H LEU A 52 -1.298 -5.865 5.685 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.615 -7.017 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.759 -4.889 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.387 -5.209 2.881 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.622 -4.152 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.730 -2.106 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.337 -2.542 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.991 -2.873 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.030 -3.844 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.364 -4.670 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.603 -5.560 5.770 1.00 0.00 H new ATOM 809 N ILE A 53 -0.853 -7.542 2.981 1.00 0.00 N ATOM 810 CA ILE A 53 -0.215 -8.234 1.882 1.00 0.00 C ATOM 811 C ILE A 53 0.107 -9.660 2.284 1.00 0.00 C ATOM 812 O ILE A 53 0.038 -10.584 1.479 1.00 0.00 O ATOM 813 CB ILE A 53 1.096 -7.516 1.508 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.831 -6.021 1.309 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.699 -8.127 0.241 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.071 -5.205 1.104 1.00 0.00 C ATOM 0 H ILE A 53 -0.204 -7.069 3.610 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.894 -8.238 1.029 1.00 0.00 H new ATOM 0 HB ILE A 53 1.812 -7.642 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.176 -5.890 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.296 -5.638 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.624 -7.608 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.910 -9.183 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.993 -8.026 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.800 -4.158 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.720 -5.304 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.597 -5.559 0.218 1.00 0.00 H new ATOM 828 N TYR A 54 0.442 -9.827 3.530 1.00 0.00 N ATOM 829 CA TYR A 54 0.849 -11.111 4.036 1.00 0.00 C ATOM 830 C TYR A 54 -0.341 -12.018 4.371 1.00 0.00 C ATOM 831 O TYR A 54 -0.243 -13.244 4.259 1.00 0.00 O ATOM 832 CB TYR A 54 1.733 -10.943 5.267 1.00 0.00 C ATOM 833 CG TYR A 54 3.034 -10.171 5.065 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.665 -10.093 3.828 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.631 -9.529 6.135 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.846 -9.392 3.676 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.811 -8.829 5.991 1.00 0.00 C ATOM 838 CZ TYR A 54 5.415 -8.762 4.766 1.00 0.00 C ATOM 839 OH TYR A 54 6.593 -8.053 4.618 1.00 0.00 O ATOM 0 H TYR A 54 0.442 -9.081 4.225 1.00 0.00 H new ATOM 0 HA TYR A 54 1.415 -11.596 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.152 -10.438 6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.979 -11.934 5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.226 -10.587 2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.162 -9.577 7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.323 -9.337 2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.256 -8.336 6.843 1.00 0.00 H new ATOM 0 HH TYR A 54 7.012 -8.289 3.764 1.00 0.00 H new ATOM 849 N TYR A 55 -1.443 -11.433 4.801 1.00 0.00 N ATOM 850 CA TYR A 55 -2.611 -12.197 5.196 1.00 0.00 C ATOM 851 C TYR A 55 -3.894 -11.514 4.720 1.00 0.00 C ATOM 852 O TYR A 55 -4.169 -10.359 5.089 1.00 0.00 O ATOM 853 CB TYR A 55 -2.692 -12.336 6.730 1.00 0.00 C ATOM 854 CG TYR A 55 -1.529 -13.038 7.403 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.489 -14.422 7.498 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.487 -12.313 7.967 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.445 -15.063 8.135 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.562 -12.945 8.600 1.00 0.00 C ATOM 859 CZ TYR A 55 0.578 -14.319 8.683 1.00 0.00 C ATOM 860 OH TYR A 55 1.616 -14.954 9.332 1.00 0.00 O ATOM 0 H TYR A 55 -1.554 -10.423 4.886 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.515 -13.181 4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.784 -11.338 7.160 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.606 -12.875 6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.288 -15.007 7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.499 -11.235 7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.430 -16.141 8.203 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.367 -12.366 9.028 1.00 0.00 H new ATOM 0 HH TYR A 55 2.254 -14.286 9.659 1.00 0.00 H new ATOM 870 N PRO A 56 -4.696 -12.184 3.894 1.00 0.00 N ATOM 871 CA PRO A 56 -6.000 -11.664 3.503 1.00 0.00 C ATOM 872 C PRO A 56 -6.936 -11.639 4.721 1.00 0.00 C ATOM 873 O PRO A 56 -6.771 -12.438 5.658 1.00 0.00 O ATOM 874 CB PRO A 56 -6.501 -12.672 2.460 1.00 0.00 C ATOM 875 CG PRO A 56 -5.733 -13.920 2.725 1.00 0.00 C ATOM 876 CD PRO A 56 -4.399 -13.482 3.258 1.00 0.00 C ATOM 0 HA PRO A 56 -5.958 -10.647 3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.573 -12.841 2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.327 -12.310 1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.252 -14.552 3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.615 -14.506 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.997 -14.198 3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.662 -13.380 2.462 1.00 0.00 H new ATOM 884 N ARG A 57 -7.874 -10.723 4.742 1.00 0.00 N ATOM 885 CA ARG A 57 -8.783 -10.643 5.865 1.00 0.00 C ATOM 886 C ARG A 57 -10.016 -11.525 5.665 1.00 0.00 C ATOM 887 O ARG A 57 -9.894 -12.761 5.603 1.00 0.00 O ATOM 888 CB ARG A 57 -9.166 -9.187 6.158 1.00 0.00 C ATOM 889 CG ARG A 57 -8.006 -8.336 6.657 1.00 0.00 C ATOM 890 CD ARG A 57 -8.375 -6.868 6.714 1.00 0.00 C ATOM 891 NE ARG A 57 -9.532 -6.583 7.571 1.00 0.00 N ATOM 892 CZ ARG A 57 -10.428 -5.613 7.318 1.00 0.00 C ATOM 893 NH1 ARG A 57 -10.332 -4.897 6.213 1.00 0.00 N ATOM 894 NH2 ARG A 57 -11.420 -5.369 8.172 1.00 0.00 N ATOM 0 H ARG A 57 -8.029 -10.032 4.008 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.260 -11.031 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.570 -8.738 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.962 -9.173 6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.706 -8.675 7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.147 -8.470 6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.517 -6.301 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.587 -6.516 5.704 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.664 -7.153 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.578 -5.080 5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.012 -4.161 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.505 -5.920 9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.095 -4.631 7.972 1.00 0.00 H new ATOM 908 N ASP A 58 -11.180 -10.919 5.581 1.00 0.00 N ATOM 909 CA ASP A 58 -12.410 -11.682 5.394 1.00 0.00 C ATOM 910 C ASP A 58 -13.219 -11.300 4.168 1.00 0.00 C ATOM 911 O ASP A 58 -13.422 -12.101 3.247 1.00 0.00 O ATOM 912 CB ASP A 58 -13.271 -11.714 6.663 1.00 0.00 C ATOM 913 CG ASP A 58 -14.613 -12.392 6.453 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.650 -13.598 6.105 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.655 -11.736 6.656 1.00 0.00 O ATOM 0 H ASP A 58 -11.308 -9.909 5.638 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.071 -12.698 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.727 -12.234 7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.436 -10.694 7.009 1.00 0.00 H new ATOM 920 N ASP A 59 -13.682 -10.090 4.166 1.00 0.00 N ATOM 921 CA ASP A 59 -14.611 -9.617 3.144 1.00 0.00 C ATOM 922 C ASP A 59 -13.903 -8.852 2.062 1.00 0.00 C ATOM 923 O ASP A 59 -14.382 -8.767 0.924 1.00 0.00 O ATOM 924 CB ASP A 59 -15.690 -8.743 3.797 1.00 0.00 C ATOM 925 CG ASP A 59 -16.657 -8.110 2.810 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.475 -8.836 2.205 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.621 -6.877 2.641 1.00 0.00 O ATOM 0 H ASP A 59 -13.437 -9.389 4.865 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.076 -10.485 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.255 -9.350 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.205 -7.954 4.371 1.00 0.00 H new ATOM 932 N ARG A 60 -12.745 -8.352 2.389 1.00 0.00 N ATOM 933 CA ARG A 60 -12.018 -7.520 1.512 1.00 0.00 C ATOM 934 C ARG A 60 -11.482 -8.296 0.341 1.00 0.00 C ATOM 935 O ARG A 60 -11.049 -9.441 0.483 1.00 0.00 O ATOM 936 CB ARG A 60 -10.915 -6.820 2.282 1.00 0.00 C ATOM 937 CG ARG A 60 -10.086 -5.879 1.465 1.00 0.00 C ATOM 938 CD ARG A 60 -8.737 -6.470 1.058 1.00 0.00 C ATOM 939 NE ARG A 60 -7.863 -6.828 2.204 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.843 -7.715 2.121 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.661 -8.386 0.995 1.00 0.00 N ATOM 942 NH2 ARG A 60 -6.026 -7.919 3.160 1.00 0.00 N ATOM 0 H ARG A 60 -12.286 -8.521 3.284 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.686 -6.763 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.361 -6.267 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.261 -7.574 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.640 -5.601 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.919 -4.964 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.910 -7.361 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.214 -5.753 0.426 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.041 -6.381 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.285 -8.232 0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.897 -9.057 0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.167 -7.403 4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.262 -8.590 3.084 1.00 0.00 H new ATOM 956 N GLU A 61 -11.534 -7.673 -0.795 1.00 0.00 N ATOM 957 CA GLU A 61 -11.032 -8.228 -2.019 1.00 0.00 C ATOM 958 C GLU A 61 -9.532 -8.366 -1.924 1.00 0.00 C ATOM 959 O GLU A 61 -8.803 -7.364 -1.850 1.00 0.00 O ATOM 960 CB GLU A 61 -11.395 -7.321 -3.182 1.00 0.00 C ATOM 961 CG GLU A 61 -10.877 -7.798 -4.535 1.00 0.00 C ATOM 962 CD GLU A 61 -11.319 -6.927 -5.672 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.508 -6.975 -6.053 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.474 -6.197 -6.231 1.00 0.00 O ATOM 0 H GLU A 61 -11.936 -6.742 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.477 -9.209 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.480 -7.231 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.001 -6.324 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.788 -7.829 -4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.221 -8.817 -4.711 1.00 0.00 H new ATOM 971 N ASP A 62 -9.065 -9.573 -1.868 1.00 0.00 N ATOM 972 CA ASP A 62 -7.656 -9.800 -1.791 1.00 0.00 C ATOM 973 C ASP A 62 -7.063 -9.713 -3.164 1.00 0.00 C ATOM 974 O ASP A 62 -7.012 -10.689 -3.895 1.00 0.00 O ATOM 975 CB ASP A 62 -7.322 -11.123 -1.111 1.00 0.00 C ATOM 976 CG ASP A 62 -5.843 -11.261 -0.853 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.304 -10.463 -0.048 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.205 -12.187 -1.416 1.00 0.00 O ATOM 0 H ASP A 62 -9.638 -10.417 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.214 -9.024 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.864 -11.194 -0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.661 -11.949 -1.736 1.00 0.00 H new ATOM 983 N SER A 63 -6.745 -8.516 -3.551 1.00 0.00 N ATOM 984 CA SER A 63 -6.178 -8.251 -4.819 1.00 0.00 C ATOM 985 C SER A 63 -5.255 -7.055 -4.631 1.00 0.00 C ATOM 986 O SER A 63 -5.367 -6.372 -3.592 1.00 0.00 O ATOM 987 CB SER A 63 -7.337 -7.896 -5.779 1.00 0.00 C ATOM 988 OG SER A 63 -7.962 -6.683 -5.379 1.00 0.00 O ATOM 0 H SER A 63 -6.879 -7.685 -2.975 1.00 0.00 H new ATOM 0 HA SER A 63 -5.623 -9.096 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.957 -7.798 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.069 -8.703 -5.788 1.00 0.00 H new ATOM 0 HG SER A 63 -8.794 -6.562 -5.883 1.00 0.00 H new ATOM 994 N PRO A 64 -4.322 -6.771 -5.579 1.00 0.00 N ATOM 995 CA PRO A 64 -3.504 -5.549 -5.531 1.00 0.00 C ATOM 996 C PRO A 64 -4.421 -4.302 -5.401 1.00 0.00 C ATOM 997 O PRO A 64 -4.105 -3.338 -4.720 1.00 0.00 O ATOM 998 CB PRO A 64 -2.759 -5.571 -6.909 1.00 0.00 C ATOM 999 CG PRO A 64 -2.674 -7.017 -7.243 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.947 -7.642 -6.723 1.00 0.00 C ATOM 0 HA PRO A 64 -2.819 -5.506 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.308 -5.016 -7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.770 -5.118 -6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.579 -7.164 -8.319 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.799 -7.473 -6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.726 -7.660 -7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.787 -8.673 -6.407 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.591 -4.403 -5.984 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.555 -3.330 -6.002 1.00 0.00 C ATOM 1010 C GLU A 65 -7.275 -3.194 -4.645 1.00 0.00 C ATOM 1011 O GLU A 65 -7.492 -2.075 -4.152 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.544 -3.595 -7.121 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.859 -3.812 -8.460 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.806 -4.203 -9.547 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.066 -5.412 -9.719 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.294 -3.306 -10.265 1.00 0.00 O ATOM 0 H GLU A 65 -5.905 -5.245 -6.466 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.042 -2.385 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.141 -4.473 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.233 -2.754 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.342 -2.897 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.100 -4.587 -8.352 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.613 -4.321 -4.042 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.311 -4.310 -2.772 1.00 0.00 C ATOM 1025 C GLY A 66 -7.411 -3.969 -1.599 1.00 0.00 C ATOM 1026 O GLY A 66 -7.880 -3.493 -0.576 1.00 0.00 O ATOM 0 H GLY A 66 -7.415 -5.251 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.126 -3.587 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.762 -5.288 -2.604 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.124 -4.215 -1.733 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.177 -3.837 -0.683 1.00 0.00 C ATOM 1032 C ILE A 67 -5.050 -2.303 -0.628 1.00 0.00 C ATOM 1033 O ILE A 67 -5.000 -1.707 0.439 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.800 -4.545 -0.859 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.987 -6.069 -0.673 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.762 -3.995 0.126 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.736 -6.900 -0.873 1.00 0.00 C ATOM 0 H ILE A 67 -5.705 -4.669 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.563 -4.179 0.277 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.425 -4.348 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.369 -6.252 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.749 -6.414 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.812 -4.509 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.627 -2.927 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.107 -4.157 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.971 -7.953 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.361 -6.754 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.975 -6.591 -0.156 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.048 -1.688 -1.786 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.103 -0.235 -1.920 1.00 0.00 C ATOM 1051 C VAL A 68 -6.402 0.300 -1.324 1.00 0.00 C ATOM 1052 O VAL A 68 -6.424 1.363 -0.692 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.966 0.197 -3.401 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.154 1.707 -3.577 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.608 -0.190 -3.874 1.00 0.00 C ATOM 0 H VAL A 68 -5.008 -2.180 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.262 0.189 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.743 -0.299 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.050 1.966 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.147 1.993 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.399 2.238 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.488 0.105 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.855 0.311 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.486 -1.270 -3.786 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.472 -0.460 -1.500 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.756 -0.129 -0.929 1.00 0.00 C ATOM 1067 C LYS A 69 -8.654 -0.065 0.579 1.00 0.00 C ATOM 1068 O LYS A 69 -9.201 0.843 1.200 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.783 -1.149 -1.297 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.168 -0.713 -0.919 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.911 -0.057 -2.067 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.331 1.306 -2.439 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.131 1.994 -3.467 1.00 0.00 N ATOM 0 H LYS A 69 -7.468 -1.323 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.056 0.841 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.741 -1.335 -2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.552 -2.092 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.734 -1.577 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.109 -0.015 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.878 -0.712 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.960 0.060 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.276 1.930 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.311 1.177 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.698 2.914 -3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.163 1.413 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.098 2.142 -3.113 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.927 -1.019 1.151 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.682 -1.076 2.581 1.00 0.00 C ATOM 1089 C GLU A 70 -7.061 0.201 3.065 1.00 0.00 C ATOM 1090 O GLU A 70 -7.502 0.762 4.057 1.00 0.00 O ATOM 1091 CB GLU A 70 -6.775 -2.253 2.925 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.401 -3.597 2.696 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.474 -3.929 3.699 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.392 -3.106 3.917 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.451 -5.053 4.244 1.00 0.00 O ATOM 0 H GLU A 70 -7.490 -1.778 0.628 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.642 -1.212 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.865 -2.182 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.479 -2.176 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.828 -3.626 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.627 -4.363 2.735 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.074 0.678 2.325 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.356 1.892 2.679 1.00 0.00 C ATOM 1104 C ILE A 71 -6.295 3.079 2.549 1.00 0.00 C ATOM 1105 O ILE A 71 -6.355 3.944 3.426 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.168 2.174 1.730 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.367 0.912 1.372 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.255 3.234 2.318 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.833 0.111 2.511 1.00 0.00 C ATOM 0 H ILE A 71 -5.748 0.237 1.465 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.986 1.753 3.695 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.598 2.544 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.004 0.264 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.528 1.209 0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.425 3.419 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.816 4.157 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.867 2.889 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.288 -0.751 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.161 0.729 3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.659 -0.231 3.134 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.011 3.103 1.428 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.947 4.163 1.095 1.00 0.00 C ATOM 1123 C LYS A 72 -8.989 4.319 2.175 1.00 0.00 C ATOM 1124 O LYS A 72 -9.076 5.366 2.798 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.666 3.833 -0.213 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.718 4.857 -0.604 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.152 6.054 -1.346 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.755 5.650 -2.749 1.00 0.00 C ATOM 1129 NZ LYS A 72 -8.439 6.796 -3.615 1.00 0.00 N ATOM 0 H LYS A 72 -6.953 2.374 0.717 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.379 5.088 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.930 3.757 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.139 2.855 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.469 4.374 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.227 5.204 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.893 6.853 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.286 6.447 -0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.888 4.991 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.566 5.076 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.078 6.452 -4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.299 7.359 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.717 7.388 -3.158 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.727 3.248 2.426 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.807 3.263 3.384 1.00 0.00 C ATOM 1145 C GLU A 73 -10.313 3.607 4.773 1.00 0.00 C ATOM 1146 O GLU A 73 -10.932 4.405 5.470 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.530 1.927 3.388 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.332 1.642 2.129 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.446 2.633 1.942 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.288 2.776 2.855 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.496 3.321 0.898 1.00 0.00 O ATOM 0 H GLU A 73 -9.589 2.347 1.968 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.509 4.040 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.797 1.132 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.201 1.893 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.671 1.670 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.746 0.635 2.182 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.175 3.048 5.135 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.581 3.259 6.432 1.00 0.00 C ATOM 1160 C TRP A 74 -8.184 4.725 6.594 1.00 0.00 C ATOM 1161 O TRP A 74 -8.662 5.402 7.500 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.374 2.333 6.568 1.00 0.00 C ATOM 1163 CG TRP A 74 -6.715 2.275 7.903 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.120 1.564 8.984 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.497 2.911 8.275 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.221 1.719 10.004 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.222 2.545 9.591 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.626 3.751 7.614 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.101 2.991 10.262 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.507 4.213 8.261 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.245 3.825 9.582 1.00 0.00 C ATOM 0 H TRP A 74 -8.635 2.430 4.529 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.296 3.027 7.221 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.689 1.324 6.301 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.628 2.639 5.835 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.017 0.965 9.033 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.289 1.285 10.925 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.823 4.044 6.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -3.904 2.696 11.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.826 4.878 7.750 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.355 4.188 10.075 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.388 5.247 5.668 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.918 6.619 5.780 1.00 0.00 C ATOM 1184 C ARG A 75 -8.031 7.629 5.631 1.00 0.00 C ATOM 1185 O ARG A 75 -8.039 8.648 6.327 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.710 6.919 4.875 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.466 6.206 5.363 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.203 6.553 4.612 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.988 7.997 4.461 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.839 8.646 4.744 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -0.845 8.037 5.379 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.722 9.915 4.421 1.00 0.00 N ATOM 0 H ARG A 75 -7.059 4.747 4.842 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.550 6.725 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.932 6.609 3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.530 7.994 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.321 6.439 6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.630 5.131 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.349 6.119 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.240 6.094 3.624 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.769 8.554 4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.942 7.062 5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.016 8.544 5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.494 10.398 3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.859 10.417 4.629 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.999 7.325 4.791 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.144 8.201 4.597 1.00 0.00 C ATOM 1208 C ALA A 76 -11.022 8.237 5.858 1.00 0.00 C ATOM 1209 O ALA A 76 -11.608 9.263 6.189 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.962 7.761 3.380 1.00 0.00 C ATOM 0 H ALA A 76 -9.018 6.475 4.228 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.773 9.209 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.814 8.429 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.336 7.797 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.320 6.742 3.531 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.050 7.134 6.600 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.889 7.038 7.788 1.00 0.00 C ATOM 1218 C ALA A 77 -11.178 7.668 8.941 1.00 0.00 C ATOM 1219 O ALA A 77 -11.783 8.280 9.818 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.226 5.591 8.107 1.00 0.00 C ATOM 0 H ALA A 77 -10.503 6.297 6.400 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.826 7.563 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.853 5.551 8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.761 5.148 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.306 5.034 8.285 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.873 7.529 8.914 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.996 8.070 9.919 1.00 0.00 C ATOM 1228 C ASN A 78 -8.896 9.589 9.824 1.00 0.00 C ATOM 1229 O ASN A 78 -8.460 10.245 10.762 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.596 7.465 9.789 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.407 6.053 10.359 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.305 5.712 10.763 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.437 5.244 10.395 1.00 0.00 N ATOM 0 H ASN A 78 -9.383 7.025 8.175 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.421 7.812 10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.329 7.445 8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.889 8.131 10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.332 4.300 10.768 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.344 5.558 10.050 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.289 10.137 8.690 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.198 11.569 8.496 1.00 0.00 C ATOM 1242 C GLY A 79 -7.804 11.963 8.074 1.00 0.00 C ATOM 1243 O GLY A 79 -7.358 13.091 8.297 1.00 0.00 O ATOM 0 H GLY A 79 -9.670 9.619 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.915 11.885 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.463 12.084 9.420 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.127 11.028 7.461 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.797 11.205 6.996 1.00 0.00 C ATOM 1249 C LYS A 80 -5.814 11.665 5.554 1.00 0.00 C ATOM 1250 O LYS A 80 -6.883 11.711 4.913 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.055 9.888 7.105 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.699 9.480 8.526 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.154 8.070 8.553 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.560 7.694 9.911 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.516 7.775 11.041 1.00 0.00 N ATOM 0 H LYS A 80 -7.506 10.100 7.271 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.295 11.960 7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.665 9.104 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.138 9.952 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.960 10.169 8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.582 9.547 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.953 7.371 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.388 7.966 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.169 6.678 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.715 8.350 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.998 7.706 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.023 8.682 11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.199 6.994 10.974 1.00 0.00 H new ATOM 1269 N SER A 81 -4.657 11.985 5.051 1.00 0.00 N ATOM 1270 CA SER A 81 -4.487 12.412 3.719 1.00 0.00 C ATOM 1271 C SER A 81 -4.654 11.213 2.770 1.00 0.00 C ATOM 1272 O SER A 81 -4.539 10.040 3.199 1.00 0.00 O ATOM 1273 CB SER A 81 -3.095 12.976 3.611 1.00 0.00 C ATOM 1274 OG SER A 81 -2.846 13.934 4.630 1.00 0.00 O ATOM 0 H SER A 81 -3.788 11.950 5.584 1.00 0.00 H new ATOM 0 HA SER A 81 -5.226 13.165 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.366 12.168 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.963 13.439 2.633 1.00 0.00 H new ATOM 0 HG SER A 81 -1.935 14.282 4.536 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.845 11.493 1.511 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.113 10.461 0.553 1.00 0.00 C ATOM 1282 C GLY A 82 -4.133 10.518 -0.571 1.00 0.00 C ATOM 1283 O GLY A 82 -3.149 11.243 -0.487 1.00 0.00 O ATOM 0 H GLY A 82 -4.819 12.436 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.062 9.486 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.126 10.572 0.165 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.411 9.813 -1.629 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.515 9.730 -2.745 1.00 0.00 C ATOM 1289 C PHE A 83 -3.767 10.900 -3.657 1.00 0.00 C ATOM 1290 O PHE A 83 -4.769 11.620 -3.497 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.790 8.448 -3.525 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.876 7.215 -2.678 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.756 6.692 -2.087 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.093 6.593 -2.463 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.844 5.569 -1.301 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.185 5.469 -1.675 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.057 4.957 -1.096 1.00 0.00 C ATOM 0 H PHE A 83 -5.271 9.276 -1.742 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.486 9.735 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.725 8.564 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.002 8.311 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.798 7.166 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.984 6.996 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.954 5.165 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.142 4.994 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.119 4.073 -0.479 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.883 11.117 -4.587 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.106 12.117 -5.573 1.00 0.00 C ATOM 1309 C LYS A 84 -4.137 11.544 -6.542 1.00 0.00 C ATOM 1310 O LYS A 84 -4.095 10.358 -6.878 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.795 12.489 -6.258 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.902 13.631 -7.249 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.563 13.973 -7.891 1.00 0.00 C ATOM 1314 CE LYS A 84 0.450 14.552 -6.911 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.690 14.987 -7.606 1.00 0.00 N ATOM 0 H LYS A 84 -2.002 10.611 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.484 13.043 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.064 12.755 -5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.409 11.611 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.618 13.367 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.294 14.513 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.146 13.074 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.727 14.689 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.008 15.400 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.697 13.805 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.359 15.376 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.123 14.172 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.456 15.717 -8.308 1.00 0.00 H new ATOM 1329 N GLN A 85 -5.047 12.349 -6.970 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.197 11.846 -7.702 1.00 0.00 C ATOM 1331 C GLN A 85 -6.347 12.529 -9.045 1.00 0.00 C ATOM 1332 O GLN A 85 -7.449 12.625 -9.602 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.439 12.013 -6.822 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.693 13.445 -6.387 1.00 0.00 C ATOM 1335 CD GLN A 85 -8.604 13.531 -5.194 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -9.821 13.609 -5.316 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -8.019 13.518 -4.025 1.00 0.00 N ATOM 0 H GLN A 85 -5.033 13.360 -6.835 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.058 10.788 -7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.310 11.648 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.332 11.387 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.743 13.923 -6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.131 14.001 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.003 13.452 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.579 13.574 -3.174 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.244 12.930 -9.592 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.251 13.588 -10.856 1.00 0.00 C ATOM 1348 C GLY A 86 -4.619 14.923 -10.722 1.00 0.00 C ATOM 1349 O GLY A 86 -3.678 15.049 -9.905 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.091 15.878 -11.345 1.00 0.00 O ATOM 0 H GLY A 86 -4.320 12.811 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.712 12.991 -11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.274 13.693 -11.218 1.00 0.00 H new TER 1354 GLY A 86