USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 695 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 NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 99 CUCU :(H bumps) USER MOD Set 1.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 7 MET CE :methyl -109:sc= -6.19! (180deg=-7.66!) USER MOD Set 2.2: A 33 ASN : amide:sc= -7.05! C(o=-13!,f=-19!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0503) USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -111:sc= -1.08 (180deg=-1.21) USER MOD Single : A 2 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.49) USER MOD Single : A 4 THR OG1 : rot -83:sc= -2.72! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0997 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.0038) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -3.23 X(o=-3.2,f=-3) USER MOD Single : A 40 ASN : amide:sc= -2.95 X(o=-2.9,f=-3.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.241 USER MOD Single : A 58 HIS : no HE2:sc= -5.78 K(o=-5.8,f=-8.8!) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0237) USER MOD Single : A 68 SER OG : rot 144:sc= -4.12! USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 71 SER OG : rot -134:sc= 0.129! USER MOD Single : A 72 THR OG1 : rot -129:sc= -0.396 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 79 TYR OH : rot 130:sc= -2.34! USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0993 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.145 -9.623 11.019 1.00 10.00 N ATOM 2 CA ALA A 1 6.709 -8.373 11.616 1.00 10.00 C ATOM 3 C ALA A 1 5.711 -7.687 10.680 1.00 10.00 C ATOM 4 O ALA A 1 5.628 -8.025 9.501 1.00 10.00 O ATOM 5 CB ALA A 1 7.927 -7.495 11.913 1.00 10.00 C ATOM 0 H1 ALA A 1 6.766 -10.421 11.568 1.00 10.00 H new ATOM 0 H2 ALA A 1 6.798 -9.680 10.040 1.00 10.00 H new ATOM 0 H3 ALA A 1 8.184 -9.665 11.020 1.00 10.00 H new ATOM 0 HA ALA A 1 6.202 -8.557 12.563 1.00 10.00 H new ATOM 0 HB1 ALA A 1 7.599 -6.557 12.361 1.00 10.00 H new ATOM 0 HB2 ALA A 1 8.590 -8.015 12.604 1.00 10.00 H new ATOM 0 HB3 ALA A 1 8.460 -7.287 10.985 1.00 10.00 H new ATOM 11 N ASN A 2 4.979 -6.736 11.242 1.00 10.00 N ATOM 12 CA ASN A 2 3.990 -6.000 10.473 1.00 10.00 C ATOM 13 C ASN A 2 4.693 -4.923 9.644 1.00 10.00 C ATOM 14 O ASN A 2 5.720 -4.388 10.058 1.00 10.00 O ATOM 15 CB ASN A 2 2.982 -5.307 11.391 1.00 10.00 C ATOM 16 CG ASN A 2 3.693 -4.558 12.521 1.00 10.00 C ATOM 17 OD1 ASN A 2 3.806 -5.033 13.639 1.00 10.00 O ATOM 18 ND2 ASN A 2 4.164 -3.367 12.167 1.00 10.00 N ATOM 0 H ASN A 2 5.051 -6.458 12.221 1.00 10.00 H new ATOM 0 HA ASN A 2 3.466 -6.709 9.832 1.00 10.00 H new ATOM 0 HB2 ASN A 2 2.377 -4.609 10.812 1.00 10.00 H new ATOM 0 HB3 ASN A 2 2.301 -6.046 11.812 1.00 10.00 H new ATOM 0 HD21 ASN A 2 4.655 -2.790 12.849 1.00 10.00 H new ATOM 0 HD22 ASN A 2 4.034 -3.030 11.213 1.00 10.00 H new ATOM 25 N ALA A 3 4.112 -4.639 8.488 1.00 10.00 N ATOM 26 CA ALA A 3 4.669 -3.634 7.597 1.00 10.00 C ATOM 27 C ALA A 3 3.539 -2.768 7.041 1.00 10.00 C ATOM 28 O ALA A 3 2.480 -3.279 6.677 1.00 10.00 O ATOM 29 CB ALA A 3 5.475 -4.323 6.494 1.00 10.00 C ATOM 0 H ALA A 3 3.261 -5.087 8.147 1.00 10.00 H new ATOM 0 HA ALA A 3 5.350 -2.976 8.137 1.00 10.00 H new ATOM 0 HB1 ALA A 3 5.893 -3.571 5.825 1.00 10.00 H new ATOM 0 HB2 ALA A 3 6.284 -4.901 6.941 1.00 10.00 H new ATOM 0 HB3 ALA A 3 4.823 -4.989 5.929 1.00 10.00 H new ATOM 35 N THR A 4 3.800 -1.470 6.991 1.00 10.00 N ATOM 36 CA THR A 4 2.817 -0.527 6.485 1.00 10.00 C ATOM 37 C THR A 4 3.508 0.605 5.722 1.00 10.00 C ATOM 38 O THR A 4 4.679 0.897 5.961 1.00 10.00 O ATOM 39 CB THR A 4 1.978 -0.039 7.667 1.00 10.00 C ATOM 40 OG1 THR A 4 0.724 -0.693 7.495 1.00 10.00 O ATOM 41 CG2 THR A 4 1.637 1.450 7.568 1.00 10.00 C ATOM 0 H THR A 4 4.679 -1.049 7.293 1.00 10.00 H new ATOM 0 HA THR A 4 2.148 -1.000 5.766 1.00 10.00 H new ATOM 0 HB THR A 4 2.516 -0.228 8.596 1.00 10.00 H new ATOM 0 HG1 THR A 4 0.174 -0.185 6.862 1.00 10.00 H new ATOM 0 HG21 THR A 4 1.041 1.745 8.431 1.00 10.00 H new ATOM 0 HG22 THR A 4 2.557 2.033 7.546 1.00 10.00 H new ATOM 0 HG23 THR A 4 1.070 1.633 6.656 1.00 10.00 H new ATOM 49 N VAL A 5 2.754 1.212 4.817 1.00 10.00 N ATOM 50 CA VAL A 5 3.279 2.306 4.017 1.00 10.00 C ATOM 51 C VAL A 5 2.216 3.400 3.896 1.00 10.00 C ATOM 52 O VAL A 5 1.030 3.105 3.752 1.00 10.00 O ATOM 53 CB VAL A 5 3.754 1.781 2.660 1.00 10.00 C ATOM 54 CG1 VAL A 5 4.221 2.927 1.762 1.00 10.00 C ATOM 55 CG2 VAL A 5 4.858 0.735 2.833 1.00 10.00 C ATOM 0 H VAL A 5 1.784 0.967 4.620 1.00 10.00 H new ATOM 0 HA VAL A 5 4.149 2.750 4.501 1.00 10.00 H new ATOM 0 HB VAL A 5 2.907 1.297 2.173 1.00 10.00 H new ATOM 0 HG11 VAL A 5 4.553 2.527 0.804 1.00 10.00 H new ATOM 0 HG12 VAL A 5 3.396 3.621 1.599 1.00 10.00 H new ATOM 0 HG13 VAL A 5 5.047 3.452 2.242 1.00 10.00 H new ATOM 0 HG21 VAL A 5 5.178 0.378 1.854 1.00 10.00 H new ATOM 0 HG22 VAL A 5 5.706 1.183 3.351 1.00 10.00 H new ATOM 0 HG23 VAL A 5 4.477 -0.102 3.418 1.00 10.00 H new ATOM 65 N LYS A 6 2.679 4.639 3.960 1.00 10.00 N ATOM 66 CA LYS A 6 1.783 5.778 3.859 1.00 10.00 C ATOM 67 C LYS A 6 1.596 6.147 2.386 1.00 10.00 C ATOM 68 O LYS A 6 1.115 7.234 2.070 1.00 10.00 O ATOM 69 CB LYS A 6 2.289 6.936 4.723 1.00 10.00 C ATOM 70 CG LYS A 6 3.588 7.514 4.158 1.00 10.00 C ATOM 71 CD LYS A 6 4.319 8.352 5.210 1.00 10.00 C ATOM 72 CE LYS A 6 5.815 8.035 5.219 1.00 10.00 C ATOM 73 NZ LYS A 6 6.608 9.285 5.261 1.00 10.00 N ATOM 0 H LYS A 6 3.663 4.879 4.081 1.00 10.00 H new ATOM 0 HA LYS A 6 0.799 5.523 4.251 1.00 10.00 H new ATOM 0 HB2 LYS A 6 1.530 7.717 4.772 1.00 10.00 H new ATOM 0 HB3 LYS A 6 2.455 6.588 5.743 1.00 10.00 H new ATOM 0 HG2 LYS A 6 4.234 6.704 3.820 1.00 10.00 H new ATOM 0 HG3 LYS A 6 3.367 8.130 3.286 1.00 10.00 H new ATOM 0 HD2 LYS A 6 4.169 9.412 5.004 1.00 10.00 H new ATOM 0 HD3 LYS A 6 3.896 8.156 6.195 1.00 10.00 H new ATOM 0 HE2 LYS A 6 6.056 7.415 6.082 1.00 10.00 H new ATOM 0 HE3 LYS A 6 6.077 7.461 4.330 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 7.601 9.059 5.470 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 6.549 9.765 4.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 6.232 9.910 6.002 1.00 10.00 H new ATOM 87 N MET A 7 1.985 5.219 1.523 1.00 10.00 N ATOM 88 CA MET A 7 1.867 5.433 0.091 1.00 10.00 C ATOM 89 C MET A 7 2.767 6.580 -0.368 1.00 10.00 C ATOM 90 O MET A 7 3.772 6.355 -1.041 1.00 10.00 O ATOM 91 CB MET A 7 0.413 5.753 -0.259 1.00 10.00 C ATOM 92 CG MET A 7 -0.528 4.653 0.244 1.00 10.00 C ATOM 93 SD MET A 7 -2.177 5.306 0.441 1.00 10.00 S ATOM 94 CE MET A 7 -3.073 3.791 0.746 1.00 10.00 C ATOM 0 H MET A 7 2.382 4.318 1.788 1.00 10.00 H new ATOM 0 HA MET A 7 2.181 4.523 -0.420 1.00 10.00 H new ATOM 0 HB2 MET A 7 0.131 6.708 0.183 1.00 10.00 H new ATOM 0 HB3 MET A 7 0.310 5.859 -1.339 1.00 10.00 H new ATOM 0 HG2 MET A 7 -0.539 3.821 -0.461 1.00 10.00 H new ATOM 0 HG3 MET A 7 -0.167 4.261 1.195 1.00 10.00 H new ATOM 0 HE1 MET A 7 -3.694 3.555 -0.118 1.00 10.00 H new ATOM 0 HE2 MET A 7 -2.367 2.979 0.918 1.00 10.00 H new ATOM 0 HE3 MET A 7 -3.706 3.913 1.625 1.00 10.00 H new ATOM 104 N GLY A 8 2.374 7.788 0.012 1.00 10.00 N ATOM 105 CA GLY A 8 3.134 8.972 -0.353 1.00 10.00 C ATOM 106 C GLY A 8 4.080 9.385 0.776 1.00 10.00 C ATOM 107 O GLY A 8 4.816 8.556 1.310 1.00 10.00 O ATOM 0 H GLY A 8 1.539 7.972 0.569 1.00 10.00 H new ATOM 0 HA2 GLY A 8 3.707 8.776 -1.259 1.00 10.00 H new ATOM 0 HA3 GLY A 8 2.452 9.791 -0.579 1.00 10.00 H new ATOM 111 N SER A 9 4.030 10.668 1.107 1.00 10.00 N ATOM 112 CA SER A 9 4.874 11.202 2.162 1.00 10.00 C ATOM 113 C SER A 9 4.126 12.297 2.926 1.00 10.00 C ATOM 114 O SER A 9 3.112 12.808 2.452 1.00 10.00 O ATOM 115 CB SER A 9 6.184 11.750 1.594 1.00 10.00 C ATOM 116 OG SER A 9 7.320 11.074 2.127 1.00 10.00 O ATOM 0 H SER A 9 3.418 11.353 0.663 1.00 10.00 H new ATOM 0 HA SER A 9 5.119 10.392 2.849 1.00 10.00 H new ATOM 0 HB2 SER A 9 6.179 11.650 0.509 1.00 10.00 H new ATOM 0 HB3 SER A 9 6.258 12.815 1.816 1.00 10.00 H new ATOM 0 HG SER A 9 8.137 11.451 1.739 1.00 10.00 H new ATOM 122 N ASP A 10 4.655 12.624 4.096 1.00 10.00 N ATOM 123 CA ASP A 10 4.051 13.650 4.929 1.00 10.00 C ATOM 124 C ASP A 10 3.993 14.966 4.152 1.00 10.00 C ATOM 125 O ASP A 10 2.939 15.591 4.060 1.00 10.00 O ATOM 126 CB ASP A 10 4.874 13.885 6.197 1.00 10.00 C ATOM 127 CG ASP A 10 4.091 13.772 7.507 1.00 10.00 C ATOM 128 OD1 ASP A 10 2.850 13.651 7.418 1.00 10.00 O ATOM 129 OD2 ASP A 10 4.753 13.810 8.567 1.00 10.00 O ATOM 0 H ASP A 10 5.495 12.197 4.487 1.00 10.00 H new ATOM 0 HA ASP A 10 3.051 13.314 5.205 1.00 10.00 H new ATOM 0 HB2 ASP A 10 5.694 13.167 6.218 1.00 10.00 H new ATOM 0 HB3 ASP A 10 5.321 14.878 6.143 1.00 10.00 H new ATOM 134 N SER A 11 5.141 15.346 3.612 1.00 10.00 N ATOM 135 CA SER A 11 5.236 16.577 2.844 1.00 10.00 C ATOM 136 C SER A 11 4.192 16.577 1.725 1.00 10.00 C ATOM 137 O SER A 11 3.346 17.469 1.660 1.00 10.00 O ATOM 138 CB SER A 11 6.638 16.757 2.261 1.00 10.00 C ATOM 139 OG SER A 11 7.501 17.459 3.153 1.00 10.00 O ATOM 0 H SER A 11 6.014 14.824 3.691 1.00 10.00 H new ATOM 0 HA SER A 11 5.041 17.414 3.515 1.00 10.00 H new ATOM 0 HB2 SER A 11 7.066 15.780 2.037 1.00 10.00 H new ATOM 0 HB3 SER A 11 6.572 17.300 1.318 1.00 10.00 H new ATOM 0 HG SER A 11 8.387 17.552 2.745 1.00 10.00 H new ATOM 145 N GLY A 12 4.285 15.568 0.872 1.00 10.00 N ATOM 146 CA GLY A 12 3.359 15.439 -0.240 1.00 10.00 C ATOM 147 C GLY A 12 4.112 15.283 -1.563 1.00 10.00 C ATOM 148 O GLY A 12 4.454 16.274 -2.207 1.00 10.00 O ATOM 0 H GLY A 12 4.988 14.831 0.929 1.00 10.00 H new ATOM 0 HA2 GLY A 12 2.712 14.576 -0.081 1.00 10.00 H new ATOM 0 HA3 GLY A 12 2.714 16.317 -0.285 1.00 10.00 H new ATOM 152 N ALA A 13 4.344 14.032 -1.930 1.00 10.00 N ATOM 153 CA ALA A 13 5.050 13.734 -3.165 1.00 10.00 C ATOM 154 C ALA A 13 4.689 12.320 -3.624 1.00 10.00 C ATOM 155 O ALA A 13 4.332 11.471 -2.809 1.00 10.00 O ATOM 156 CB ALA A 13 6.554 13.911 -2.950 1.00 10.00 C ATOM 0 H ALA A 13 4.056 13.213 -1.395 1.00 10.00 H new ATOM 0 HA ALA A 13 4.751 14.424 -3.954 1.00 10.00 H new ATOM 0 HB1 ALA A 13 7.083 13.687 -3.877 1.00 10.00 H new ATOM 0 HB2 ALA A 13 6.761 14.939 -2.653 1.00 10.00 H new ATOM 0 HB3 ALA A 13 6.892 13.233 -2.167 1.00 10.00 H new ATOM 162 N LEU A 14 4.795 12.110 -4.929 1.00 10.00 N ATOM 163 CA LEU A 14 4.485 10.811 -5.505 1.00 10.00 C ATOM 164 C LEU A 14 5.627 9.840 -5.206 1.00 10.00 C ATOM 165 O LEU A 14 6.207 9.257 -6.121 1.00 10.00 O ATOM 166 CB LEU A 14 4.169 10.950 -6.995 1.00 10.00 C ATOM 167 CG LEU A 14 3.369 9.807 -7.620 1.00 10.00 C ATOM 168 CD1 LEU A 14 2.039 10.311 -8.184 1.00 10.00 C ATOM 169 CD2 LEU A 14 4.197 9.072 -8.678 1.00 10.00 C ATOM 0 H LEU A 14 5.091 12.816 -5.603 1.00 10.00 H new ATOM 0 HA LEU A 14 3.587 10.395 -5.049 1.00 10.00 H new ATOM 0 HB2 LEU A 14 3.616 11.878 -7.144 1.00 10.00 H new ATOM 0 HB3 LEU A 14 5.109 11.048 -7.538 1.00 10.00 H new ATOM 0 HG LEU A 14 3.134 9.087 -6.836 1.00 10.00 H new ATOM 0 HD11 LEU A 14 1.490 9.477 -8.622 1.00 10.00 H new ATOM 0 HD12 LEU A 14 1.448 10.753 -7.382 1.00 10.00 H new ATOM 0 HD13 LEU A 14 2.230 11.063 -8.950 1.00 10.00 H new ATOM 0 HD21 LEU A 14 3.605 8.264 -9.107 1.00 10.00 H new ATOM 0 HD22 LEU A 14 4.483 9.769 -9.465 1.00 10.00 H new ATOM 0 HD23 LEU A 14 5.094 8.659 -8.216 1.00 10.00 H new ATOM 181 N VAL A 15 5.915 9.693 -3.921 1.00 10.00 N ATOM 182 CA VAL A 15 6.978 8.800 -3.491 1.00 10.00 C ATOM 183 C VAL A 15 6.379 7.669 -2.650 1.00 10.00 C ATOM 184 O VAL A 15 5.171 7.632 -2.425 1.00 10.00 O ATOM 185 CB VAL A 15 8.056 9.590 -2.747 1.00 10.00 C ATOM 186 CG1 VAL A 15 8.566 10.756 -3.596 1.00 10.00 C ATOM 187 CG2 VAL A 15 7.540 10.082 -1.394 1.00 10.00 C ATOM 0 H VAL A 15 5.431 10.177 -3.164 1.00 10.00 H new ATOM 0 HA VAL A 15 7.465 8.343 -4.353 1.00 10.00 H new ATOM 0 HB VAL A 15 8.895 8.919 -2.562 1.00 10.00 H new ATOM 0 HG11 VAL A 15 9.331 11.301 -3.043 1.00 10.00 H new ATOM 0 HG12 VAL A 15 8.992 10.372 -4.523 1.00 10.00 H new ATOM 0 HG13 VAL A 15 7.739 11.427 -3.827 1.00 10.00 H new ATOM 0 HG21 VAL A 15 8.326 10.641 -0.886 1.00 10.00 H new ATOM 0 HG22 VAL A 15 6.676 10.729 -1.547 1.00 10.00 H new ATOM 0 HG23 VAL A 15 7.249 9.228 -0.783 1.00 10.00 H new ATOM 197 N PHE A 16 7.253 6.776 -2.211 1.00 10.00 N ATOM 198 CA PHE A 16 6.826 5.647 -1.402 1.00 10.00 C ATOM 199 C PHE A 16 7.897 5.271 -0.375 1.00 10.00 C ATOM 200 O PHE A 16 8.998 4.862 -0.744 1.00 10.00 O ATOM 201 CB PHE A 16 6.613 4.468 -2.353 1.00 10.00 C ATOM 202 CG PHE A 16 7.670 4.359 -3.454 1.00 10.00 C ATOM 203 CD1 PHE A 16 7.749 5.316 -4.418 1.00 10.00 C ATOM 204 CD2 PHE A 16 8.530 3.306 -3.469 1.00 10.00 C ATOM 205 CE1 PHE A 16 8.730 5.214 -5.440 1.00 10.00 C ATOM 206 CE2 PHE A 16 9.510 3.204 -4.491 1.00 10.00 C ATOM 207 CZ PHE A 16 9.590 4.160 -5.454 1.00 10.00 C ATOM 0 H PHE A 16 8.255 6.811 -2.400 1.00 10.00 H new ATOM 0 HA PHE A 16 5.915 5.902 -0.861 1.00 10.00 H new ATOM 0 HB2 PHE A 16 6.609 3.544 -1.775 1.00 10.00 H new ATOM 0 HB3 PHE A 16 5.630 4.560 -2.815 1.00 10.00 H new ATOM 0 HD1 PHE A 16 7.066 6.153 -4.406 1.00 10.00 H new ATOM 0 HD2 PHE A 16 8.468 2.547 -2.703 1.00 10.00 H new ATOM 0 HE1 PHE A 16 8.793 5.973 -6.206 1.00 10.00 H new ATOM 0 HE2 PHE A 16 10.192 2.367 -4.503 1.00 10.00 H new ATOM 0 HZ PHE A 16 10.337 4.083 -6.231 1.00 10.00 H new ATOM 217 N GLU A 17 7.538 5.424 0.890 1.00 10.00 N ATOM 218 CA GLU A 17 8.455 5.106 1.972 1.00 10.00 C ATOM 219 C GLU A 17 7.689 4.538 3.168 1.00 10.00 C ATOM 220 O GLU A 17 6.643 5.064 3.547 1.00 10.00 O ATOM 221 CB GLU A 17 9.272 6.334 2.378 1.00 10.00 C ATOM 222 CG GLU A 17 10.686 6.267 1.799 1.00 10.00 C ATOM 223 CD GLU A 17 11.603 7.293 2.472 1.00 10.00 C ATOM 224 OE1 GLU A 17 11.955 7.055 3.647 1.00 10.00 O ATOM 225 OE2 GLU A 17 11.930 8.291 1.794 1.00 10.00 O ATOM 0 H GLU A 17 6.625 5.764 1.191 1.00 10.00 H new ATOM 0 HA GLU A 17 9.153 4.347 1.618 1.00 10.00 H new ATOM 0 HB2 GLU A 17 8.774 7.238 2.028 1.00 10.00 H new ATOM 0 HB3 GLU A 17 9.323 6.398 3.465 1.00 10.00 H new ATOM 0 HG2 GLU A 17 11.092 5.265 1.937 1.00 10.00 H new ATOM 0 HG3 GLU A 17 10.653 6.453 0.725 1.00 10.00 H new ATOM 232 N PRO A 18 8.252 3.444 3.745 1.00 10.00 N ATOM 233 CA PRO A 18 9.493 2.883 3.234 1.00 10.00 C ATOM 234 C PRO A 18 9.252 2.117 1.932 1.00 10.00 C ATOM 235 O PRO A 18 8.277 1.376 1.815 1.00 10.00 O ATOM 236 CB PRO A 18 10.016 2.001 4.355 1.00 10.00 C ATOM 237 CG PRO A 18 8.828 1.732 5.264 1.00 10.00 C ATOM 238 CD PRO A 18 7.727 2.712 4.893 1.00 10.00 C ATOM 0 HA PRO A 18 10.225 3.647 2.973 1.00 10.00 H new ATOM 0 HB2 PRO A 18 10.425 1.070 3.961 1.00 10.00 H new ATOM 0 HB3 PRO A 18 10.820 2.497 4.899 1.00 10.00 H new ATOM 0 HG2 PRO A 18 8.481 0.705 5.146 1.00 10.00 H new ATOM 0 HG3 PRO A 18 9.112 1.854 6.309 1.00 10.00 H new ATOM 0 HD2 PRO A 18 6.803 2.192 4.642 1.00 10.00 H new ATOM 0 HD3 PRO A 18 7.500 3.384 5.721 1.00 10.00 H new ATOM 246 N SER A 19 10.158 2.321 0.987 1.00 10.00 N ATOM 247 CA SER A 19 10.057 1.658 -0.302 1.00 10.00 C ATOM 248 C SER A 19 9.924 0.146 -0.106 1.00 10.00 C ATOM 249 O SER A 19 9.178 -0.514 -0.825 1.00 10.00 O ATOM 250 CB SER A 19 11.269 1.975 -1.180 1.00 10.00 C ATOM 251 OG SER A 19 12.470 1.418 -0.653 1.00 10.00 O ATOM 0 H SER A 19 10.965 2.936 1.088 1.00 10.00 H new ATOM 0 HA SER A 19 9.167 2.031 -0.809 1.00 10.00 H new ATOM 0 HB2 SER A 19 11.100 1.588 -2.185 1.00 10.00 H new ATOM 0 HB3 SER A 19 11.379 3.056 -1.269 1.00 10.00 H new ATOM 0 HG SER A 19 13.220 1.641 -1.243 1.00 10.00 H new ATOM 257 N THR A 20 10.659 -0.357 0.876 1.00 10.00 N ATOM 258 CA THR A 20 10.634 -1.778 1.177 1.00 10.00 C ATOM 259 C THR A 20 10.251 -2.006 2.640 1.00 10.00 C ATOM 260 O THR A 20 10.750 -1.319 3.530 1.00 10.00 O ATOM 261 CB THR A 20 11.997 -2.364 0.806 1.00 10.00 C ATOM 262 OG1 THR A 20 12.281 -1.804 -0.472 1.00 10.00 O ATOM 263 CG2 THR A 20 11.935 -3.871 0.547 1.00 10.00 C ATOM 0 H THR A 20 11.275 0.195 1.473 1.00 10.00 H new ATOM 0 HA THR A 20 9.873 -2.294 0.591 1.00 10.00 H new ATOM 0 HB THR A 20 12.708 -2.162 1.607 1.00 10.00 H new ATOM 0 HG1 THR A 20 13.150 -2.131 -0.787 1.00 10.00 H new ATOM 0 HG21 THR A 20 12.928 -4.237 0.288 1.00 10.00 H new ATOM 0 HG22 THR A 20 11.584 -4.380 1.444 1.00 10.00 H new ATOM 0 HG23 THR A 20 11.249 -4.071 -0.276 1.00 10.00 H new ATOM 271 N VAL A 21 9.368 -2.973 2.844 1.00 10.00 N ATOM 272 CA VAL A 21 8.912 -3.299 4.184 1.00 10.00 C ATOM 273 C VAL A 21 9.068 -4.804 4.419 1.00 10.00 C ATOM 274 O VAL A 21 8.967 -5.594 3.482 1.00 10.00 O ATOM 275 CB VAL A 21 7.478 -2.808 4.384 1.00 10.00 C ATOM 276 CG1 VAL A 21 7.377 -1.300 4.149 1.00 10.00 C ATOM 277 CG2 VAL A 21 6.507 -3.570 3.481 1.00 10.00 C ATOM 0 H VAL A 21 8.957 -3.541 2.103 1.00 10.00 H new ATOM 0 HA VAL A 21 9.522 -2.788 4.929 1.00 10.00 H new ATOM 0 HB VAL A 21 7.198 -3.005 5.419 1.00 10.00 H new ATOM 0 HG11 VAL A 21 6.347 -0.977 4.298 1.00 10.00 H new ATOM 0 HG12 VAL A 21 8.026 -0.778 4.852 1.00 10.00 H new ATOM 0 HG13 VAL A 21 7.686 -1.069 3.130 1.00 10.00 H new ATOM 0 HG21 VAL A 21 5.494 -3.201 3.643 1.00 10.00 H new ATOM 0 HG22 VAL A 21 6.786 -3.419 2.438 1.00 10.00 H new ATOM 0 HG23 VAL A 21 6.548 -4.633 3.718 1.00 10.00 H new ATOM 287 N THR A 22 9.311 -5.153 5.674 1.00 10.00 N ATOM 288 CA THR A 22 9.481 -6.548 6.042 1.00 10.00 C ATOM 289 C THR A 22 8.165 -7.124 6.571 1.00 10.00 C ATOM 290 O THR A 22 7.465 -6.474 7.344 1.00 10.00 O ATOM 291 CB THR A 22 10.631 -6.635 7.049 1.00 10.00 C ATOM 292 OG1 THR A 22 10.587 -5.385 7.733 1.00 10.00 O ATOM 293 CG2 THR A 22 12.001 -6.642 6.372 1.00 10.00 C ATOM 0 H THR A 22 9.394 -4.494 6.448 1.00 10.00 H new ATOM 0 HA THR A 22 9.741 -7.157 5.176 1.00 10.00 H new ATOM 0 HB THR A 22 10.520 -7.537 7.652 1.00 10.00 H new ATOM 0 HG1 THR A 22 11.298 -5.355 8.407 1.00 10.00 H new ATOM 0 HG21 THR A 22 12.781 -6.705 7.130 1.00 10.00 H new ATOM 0 HG22 THR A 22 12.073 -7.501 5.705 1.00 10.00 H new ATOM 0 HG23 THR A 22 12.127 -5.725 5.797 1.00 10.00 H new ATOM 301 N ILE A 23 7.869 -8.339 6.133 1.00 10.00 N ATOM 302 CA ILE A 23 6.651 -9.010 6.552 1.00 10.00 C ATOM 303 C ILE A 23 6.936 -10.500 6.746 1.00 10.00 C ATOM 304 O ILE A 23 7.881 -11.036 6.170 1.00 10.00 O ATOM 305 CB ILE A 23 5.516 -8.726 5.566 1.00 10.00 C ATOM 306 CG1 ILE A 23 4.152 -8.943 6.222 1.00 10.00 C ATOM 307 CG2 ILE A 23 5.677 -9.554 4.290 1.00 10.00 C ATOM 308 CD1 ILE A 23 3.579 -10.314 5.857 1.00 10.00 C ATOM 0 H ILE A 23 8.453 -8.876 5.492 1.00 10.00 H new ATOM 0 HA ILE A 23 6.314 -8.621 7.513 1.00 10.00 H new ATOM 0 HB ILE A 23 5.570 -7.676 5.277 1.00 10.00 H new ATOM 0 HG12 ILE A 23 4.248 -8.862 7.305 1.00 10.00 H new ATOM 0 HG13 ILE A 23 3.463 -8.161 5.904 1.00 10.00 H new ATOM 0 HG21 ILE A 23 4.857 -9.333 3.607 1.00 10.00 H new ATOM 0 HG22 ILE A 23 6.625 -9.305 3.812 1.00 10.00 H new ATOM 0 HG23 ILE A 23 5.664 -10.615 4.541 1.00 10.00 H new ATOM 0 HD11 ILE A 23 2.609 -10.442 6.337 1.00 10.00 H new ATOM 0 HD12 ILE A 23 3.461 -10.383 4.776 1.00 10.00 H new ATOM 0 HD13 ILE A 23 4.259 -11.095 6.198 1.00 10.00 H new ATOM 320 N LYS A 24 6.101 -11.129 7.562 1.00 10.00 N ATOM 321 CA LYS A 24 6.252 -12.545 7.842 1.00 10.00 C ATOM 322 C LYS A 24 5.150 -13.324 7.118 1.00 10.00 C ATOM 323 O LYS A 24 4.106 -12.764 6.788 1.00 10.00 O ATOM 324 CB LYS A 24 6.290 -12.795 9.350 1.00 10.00 C ATOM 325 CG LYS A 24 7.715 -12.663 9.891 1.00 10.00 C ATOM 326 CD LYS A 24 8.181 -13.973 10.530 1.00 10.00 C ATOM 327 CE LYS A 24 8.933 -13.709 11.836 1.00 10.00 C ATOM 328 NZ LYS A 24 8.089 -14.064 12.999 1.00 10.00 N ATOM 0 H LYS A 24 5.317 -10.682 8.038 1.00 10.00 H new ATOM 0 HA LYS A 24 7.206 -12.908 7.459 1.00 10.00 H new ATOM 0 HB2 LYS A 24 5.637 -12.084 9.857 1.00 10.00 H new ATOM 0 HB3 LYS A 24 5.905 -13.792 9.567 1.00 10.00 H new ATOM 0 HG2 LYS A 24 8.391 -12.388 9.082 1.00 10.00 H new ATOM 0 HG3 LYS A 24 7.756 -11.860 10.627 1.00 10.00 H new ATOM 0 HD2 LYS A 24 7.320 -14.613 10.725 1.00 10.00 H new ATOM 0 HD3 LYS A 24 8.827 -14.510 9.836 1.00 10.00 H new ATOM 0 HE2 LYS A 24 9.854 -14.291 11.856 1.00 10.00 H new ATOM 0 HE3 LYS A 24 9.218 -12.658 11.893 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 8.613 -13.879 13.878 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 7.222 -13.491 12.986 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 7.838 -15.072 12.951 1.00 10.00 H new ATOM 342 N ALA A 25 5.420 -14.600 6.894 1.00 10.00 N ATOM 343 CA ALA A 25 4.465 -15.461 6.217 1.00 10.00 C ATOM 344 C ALA A 25 3.271 -15.714 7.138 1.00 10.00 C ATOM 345 O ALA A 25 3.210 -16.741 7.813 1.00 10.00 O ATOM 346 CB ALA A 25 5.158 -16.756 5.790 1.00 10.00 C ATOM 0 H ALA A 25 6.288 -15.060 7.169 1.00 10.00 H new ATOM 0 HA ALA A 25 4.088 -14.981 5.314 1.00 10.00 H new ATOM 0 HB1 ALA A 25 4.442 -17.402 5.282 1.00 10.00 H new ATOM 0 HB2 ALA A 25 5.980 -16.523 5.113 1.00 10.00 H new ATOM 0 HB3 ALA A 25 5.547 -17.268 6.670 1.00 10.00 H new ATOM 352 N GLY A 26 2.351 -14.762 7.137 1.00 10.00 N ATOM 353 CA GLY A 26 1.160 -14.869 7.964 1.00 10.00 C ATOM 354 C GLY A 26 0.636 -13.485 8.352 1.00 10.00 C ATOM 355 O GLY A 26 -0.565 -13.305 8.548 1.00 10.00 O ATOM 0 H GLY A 26 2.405 -13.912 6.576 1.00 10.00 H new ATOM 0 HA2 GLY A 26 0.387 -15.417 7.425 1.00 10.00 H new ATOM 0 HA3 GLY A 26 1.388 -15.441 8.864 1.00 10.00 H new ATOM 359 N GLU A 27 1.562 -12.543 8.452 1.00 10.00 N ATOM 360 CA GLU A 27 1.208 -11.181 8.814 1.00 10.00 C ATOM 361 C GLU A 27 0.545 -10.474 7.631 1.00 10.00 C ATOM 362 O GLU A 27 0.349 -11.073 6.575 1.00 10.00 O ATOM 363 CB GLU A 27 2.435 -10.406 9.299 1.00 10.00 C ATOM 364 CG GLU A 27 2.317 -10.069 10.786 1.00 10.00 C ATOM 365 CD GLU A 27 1.234 -9.015 11.025 1.00 10.00 C ATOM 366 OE1 GLU A 27 0.155 -9.162 10.412 1.00 10.00 O ATOM 367 OE2 GLU A 27 1.507 -8.088 11.816 1.00 10.00 O ATOM 0 H GLU A 27 2.557 -12.696 8.289 1.00 10.00 H new ATOM 0 HA GLU A 27 0.494 -11.218 9.637 1.00 10.00 H new ATOM 0 HB2 GLU A 27 3.335 -10.997 9.127 1.00 10.00 H new ATOM 0 HB3 GLU A 27 2.541 -9.488 8.722 1.00 10.00 H new ATOM 0 HG2 GLU A 27 2.082 -10.972 11.350 1.00 10.00 H new ATOM 0 HG3 GLU A 27 3.274 -9.702 11.157 1.00 10.00 H new ATOM 374 N GLU A 28 0.217 -9.208 7.847 1.00 10.00 N ATOM 375 CA GLU A 28 -0.421 -8.412 6.813 1.00 10.00 C ATOM 376 C GLU A 28 0.152 -6.993 6.807 1.00 10.00 C ATOM 377 O GLU A 28 0.886 -6.612 7.716 1.00 10.00 O ATOM 378 CB GLU A 28 -1.939 -8.390 6.995 1.00 10.00 C ATOM 379 CG GLU A 28 -2.326 -8.791 8.420 1.00 10.00 C ATOM 380 CD GLU A 28 -3.847 -8.814 8.591 1.00 10.00 C ATOM 381 OE1 GLU A 28 -4.406 -7.725 8.840 1.00 10.00 O ATOM 382 OE2 GLU A 28 -4.415 -9.920 8.465 1.00 10.00 O ATOM 0 H GLU A 28 0.382 -8.714 8.724 1.00 10.00 H new ATOM 0 HA GLU A 28 -0.212 -8.872 5.847 1.00 10.00 H new ATOM 0 HB2 GLU A 28 -2.321 -7.392 6.778 1.00 10.00 H new ATOM 0 HB3 GLU A 28 -2.404 -9.071 6.283 1.00 10.00 H new ATOM 0 HG2 GLU A 28 -1.916 -9.775 8.648 1.00 10.00 H new ATOM 0 HG3 GLU A 28 -1.887 -8.090 9.130 1.00 10.00 H new ATOM 389 N VAL A 29 -0.207 -6.249 5.769 1.00 10.00 N ATOM 390 CA VAL A 29 0.261 -4.880 5.634 1.00 10.00 C ATOM 391 C VAL A 29 -0.933 -3.928 5.706 1.00 10.00 C ATOM 392 O VAL A 29 -2.076 -4.345 5.524 1.00 10.00 O ATOM 393 CB VAL A 29 1.068 -4.730 4.342 1.00 10.00 C ATOM 394 CG1 VAL A 29 1.181 -3.260 3.934 1.00 10.00 C ATOM 395 CG2 VAL A 29 2.451 -5.370 4.481 1.00 10.00 C ATOM 0 H VAL A 29 -0.815 -6.569 5.015 1.00 10.00 H new ATOM 0 HA VAL A 29 0.932 -4.622 6.454 1.00 10.00 H new ATOM 0 HB VAL A 29 0.535 -5.257 3.551 1.00 10.00 H new ATOM 0 HG11 VAL A 29 1.759 -3.181 3.013 1.00 10.00 H new ATOM 0 HG12 VAL A 29 0.184 -2.849 3.773 1.00 10.00 H new ATOM 0 HG13 VAL A 29 1.680 -2.700 4.725 1.00 10.00 H new ATOM 0 HG21 VAL A 29 3.003 -5.249 3.549 1.00 10.00 H new ATOM 0 HG22 VAL A 29 2.996 -4.886 5.291 1.00 10.00 H new ATOM 0 HG23 VAL A 29 2.340 -6.432 4.702 1.00 10.00 H new ATOM 405 N LYS A 30 -0.628 -2.666 5.974 1.00 10.00 N ATOM 406 CA LYS A 30 -1.662 -1.651 6.074 1.00 10.00 C ATOM 407 C LYS A 30 -1.258 -0.435 5.238 1.00 10.00 C ATOM 408 O LYS A 30 -0.216 0.171 5.480 1.00 10.00 O ATOM 409 CB LYS A 30 -1.950 -1.321 7.540 1.00 10.00 C ATOM 410 CG LYS A 30 -3.455 -1.214 7.792 1.00 10.00 C ATOM 411 CD LYS A 30 -3.781 0.013 8.646 1.00 10.00 C ATOM 412 CE LYS A 30 -3.490 -0.255 10.125 1.00 10.00 C ATOM 413 NZ LYS A 30 -3.828 0.931 10.943 1.00 10.00 N ATOM 0 H LYS A 30 0.321 -2.324 6.125 1.00 10.00 H new ATOM 0 HA LYS A 30 -2.602 -2.023 5.665 1.00 10.00 H new ATOM 0 HB2 LYS A 30 -1.524 -2.093 8.181 1.00 10.00 H new ATOM 0 HB3 LYS A 30 -1.465 -0.382 7.807 1.00 10.00 H new ATOM 0 HG2 LYS A 30 -3.983 -1.150 6.841 1.00 10.00 H new ATOM 0 HG3 LYS A 30 -3.809 -2.115 8.293 1.00 10.00 H new ATOM 0 HD2 LYS A 30 -3.193 0.865 8.305 1.00 10.00 H new ATOM 0 HD3 LYS A 30 -4.830 0.279 8.521 1.00 10.00 H new ATOM 0 HE2 LYS A 30 -4.067 -1.115 10.465 1.00 10.00 H new ATOM 0 HE3 LYS A 30 -2.437 -0.506 10.255 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 -3.625 0.732 11.943 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 -3.259 1.743 10.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 -4.838 1.152 10.833 1.00 10.00 H new ATOM 427 N TRP A 31 -2.106 -0.114 4.270 1.00 10.00 N ATOM 428 CA TRP A 31 -1.852 1.019 3.397 1.00 10.00 C ATOM 429 C TRP A 31 -2.883 2.104 3.716 1.00 10.00 C ATOM 430 O TRP A 31 -4.015 2.046 3.242 1.00 10.00 O ATOM 431 CB TRP A 31 -1.865 0.594 1.928 1.00 10.00 C ATOM 432 CG TRP A 31 -0.607 -0.154 1.485 1.00 10.00 C ATOM 433 CD1 TRP A 31 0.556 0.364 1.066 1.00 10.00 C ATOM 434 CD2 TRP A 31 -0.430 -1.586 1.432 1.00 10.00 C ATOM 435 NE1 TRP A 31 1.465 -0.625 0.748 1.00 10.00 N ATOM 436 CE2 TRP A 31 0.846 -1.847 0.979 1.00 10.00 C ATOM 437 CE3 TRP A 31 -1.320 -2.624 1.757 1.00 10.00 C ATOM 438 CZ2 TRP A 31 1.349 -3.144 0.809 1.00 10.00 C ATOM 439 CZ3 TRP A 31 -0.803 -3.914 1.582 1.00 10.00 C ATOM 440 CH2 TRP A 31 0.479 -4.195 1.126 1.00 10.00 C ATOM 0 H TRP A 31 -2.969 -0.620 4.072 1.00 10.00 H new ATOM 0 HA TRP A 31 -0.856 1.425 3.573 1.00 10.00 H new ATOM 0 HB2 TRP A 31 -2.733 -0.041 1.752 1.00 10.00 H new ATOM 0 HB3 TRP A 31 -1.986 1.480 1.305 1.00 10.00 H new ATOM 0 HD1 TRP A 31 0.757 1.422 0.987 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.416 -0.484 0.406 1.00 10.00 H new ATOM 0 HE3 TRP A 31 -2.323 -2.442 2.113 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.353 -3.323 0.453 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 -1.446 -4.749 1.818 1.00 10.00 H new ATOM 0 HH2 TRP A 31 0.803 -5.219 1.016 1.00 10.00 H new ATOM 451 N VAL A 32 -2.453 3.066 4.519 1.00 10.00 N ATOM 452 CA VAL A 32 -3.325 4.162 4.906 1.00 10.00 C ATOM 453 C VAL A 32 -3.325 5.224 3.804 1.00 10.00 C ATOM 454 O VAL A 32 -2.281 5.522 3.227 1.00 10.00 O ATOM 455 CB VAL A 32 -2.900 4.714 6.268 1.00 10.00 C ATOM 456 CG1 VAL A 32 -1.873 5.837 6.108 1.00 10.00 C ATOM 457 CG2 VAL A 32 -4.112 5.190 7.071 1.00 10.00 C ATOM 0 H VAL A 32 -1.513 3.109 4.912 1.00 10.00 H new ATOM 0 HA VAL A 32 -4.351 3.811 5.018 1.00 10.00 H new ATOM 0 HB VAL A 32 -2.428 3.904 6.824 1.00 10.00 H new ATOM 0 HG11 VAL A 32 -1.588 6.212 7.091 1.00 10.00 H new ATOM 0 HG12 VAL A 32 -0.991 5.453 5.596 1.00 10.00 H new ATOM 0 HG13 VAL A 32 -2.308 6.647 5.523 1.00 10.00 H new ATOM 0 HG21 VAL A 32 -3.781 5.577 8.035 1.00 10.00 H new ATOM 0 HG22 VAL A 32 -4.626 5.978 6.521 1.00 10.00 H new ATOM 0 HG23 VAL A 32 -4.794 4.354 7.231 1.00 10.00 H new ATOM 467 N ASN A 33 -4.506 5.765 3.546 1.00 10.00 N ATOM 468 CA ASN A 33 -4.655 6.786 2.524 1.00 10.00 C ATOM 469 C ASN A 33 -4.174 8.129 3.077 1.00 10.00 C ATOM 470 O ASN A 33 -4.896 8.794 3.818 1.00 10.00 O ATOM 471 CB ASN A 33 -6.118 6.942 2.110 1.00 10.00 C ATOM 472 CG ASN A 33 -6.708 5.603 1.661 1.00 10.00 C ATOM 473 OD1 ASN A 33 -6.018 4.607 1.520 1.00 10.00 O ATOM 474 ND2 ASN A 33 -8.021 5.635 1.449 1.00 10.00 N ATOM 0 H ASN A 33 -5.370 5.515 4.028 1.00 10.00 H new ATOM 0 HA ASN A 33 -4.066 6.484 1.658 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -6.696 7.336 2.946 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -6.195 7.667 1.300 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -8.510 4.791 1.150 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -8.539 6.503 1.586 1.00 10.00 H new ATOM 481 N ASN A 34 -2.956 8.488 2.696 1.00 10.00 N ATOM 482 CA ASN A 34 -2.371 9.740 3.144 1.00 10.00 C ATOM 483 C ASN A 34 -2.903 10.885 2.282 1.00 10.00 C ATOM 484 O ASN A 34 -3.629 11.749 2.771 1.00 10.00 O ATOM 485 CB ASN A 34 -0.846 9.714 3.010 1.00 10.00 C ATOM 486 CG ASN A 34 -0.188 10.629 4.044 1.00 10.00 C ATOM 487 OD1 ASN A 34 -0.246 10.397 5.241 1.00 10.00 O ATOM 488 ND2 ASN A 34 0.439 11.677 3.519 1.00 10.00 N ATOM 0 H ASN A 34 -2.359 7.934 2.082 1.00 10.00 H new ATOM 0 HA ASN A 34 -2.639 9.882 4.191 1.00 10.00 H new ATOM 0 HB2 ASN A 34 -0.484 8.694 3.139 1.00 10.00 H new ATOM 0 HB3 ASN A 34 -0.560 10.029 2.006 1.00 10.00 H new ATOM 0 HD21 ASN A 34 0.910 12.347 4.127 1.00 10.00 H new ATOM 0 HD22 ASN A 34 0.449 11.811 2.508 1.00 10.00 H new ATOM 495 N LYS A 35 -2.520 10.856 1.013 1.00 10.00 N ATOM 496 CA LYS A 35 -2.950 11.882 0.079 1.00 10.00 C ATOM 497 C LYS A 35 -2.439 11.535 -1.322 1.00 10.00 C ATOM 498 O LYS A 35 -2.172 10.372 -1.618 1.00 10.00 O ATOM 499 CB LYS A 35 -2.517 13.266 0.566 1.00 10.00 C ATOM 500 CG LYS A 35 -3.677 14.260 0.490 1.00 10.00 C ATOM 501 CD LYS A 35 -3.941 14.898 1.856 1.00 10.00 C ATOM 502 CE LYS A 35 -5.442 15.003 2.132 1.00 10.00 C ATOM 503 NZ LYS A 35 -5.775 16.330 2.695 1.00 10.00 N ATOM 0 H LYS A 35 -1.917 10.138 0.611 1.00 10.00 H new ATOM 0 HA LYS A 35 -4.038 11.916 0.024 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -2.158 13.198 1.593 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.685 13.625 -0.040 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -3.448 15.036 -0.240 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -4.576 13.750 0.143 1.00 10.00 H new ATOM 0 HD2 LYS A 35 -3.465 14.304 2.637 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -3.491 15.890 1.891 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -5.999 14.843 1.209 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -5.745 14.220 2.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -6.798 16.384 2.876 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 -5.258 16.469 3.587 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 -5.504 17.072 2.019 1.00 10.00 H new ATOM 517 N LEU A 36 -2.319 12.565 -2.145 1.00 10.00 N ATOM 518 CA LEU A 36 -1.847 12.384 -3.507 1.00 10.00 C ATOM 519 C LEU A 36 -2.763 11.398 -4.233 1.00 10.00 C ATOM 520 O LEU A 36 -2.360 10.273 -4.527 1.00 10.00 O ATOM 521 CB LEU A 36 -0.372 11.973 -3.511 1.00 10.00 C ATOM 522 CG LEU A 36 0.642 13.114 -3.609 1.00 10.00 C ATOM 523 CD1 LEU A 36 1.396 13.291 -2.289 1.00 10.00 C ATOM 524 CD2 LEU A 36 1.593 12.903 -4.788 1.00 10.00 C ATOM 0 H LEU A 36 -2.541 13.529 -1.895 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.894 13.325 -4.056 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -0.170 11.411 -2.599 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -0.207 11.294 -4.347 1.00 10.00 H new ATOM 0 HG LEU A 36 0.098 14.040 -3.797 1.00 10.00 H new ATOM 0 HD11 LEU A 36 2.111 14.108 -2.385 1.00 10.00 H new ATOM 0 HD12 LEU A 36 0.687 13.520 -1.493 1.00 10.00 H new ATOM 0 HD13 LEU A 36 1.928 12.371 -2.047 1.00 10.00 H new ATOM 0 HD21 LEU A 36 2.303 13.728 -4.835 1.00 10.00 H new ATOM 0 HD22 LEU A 36 2.134 11.966 -4.656 1.00 10.00 H new ATOM 0 HD23 LEU A 36 1.021 12.864 -5.715 1.00 10.00 H new ATOM 536 N SER A 37 -3.976 11.856 -4.503 1.00 10.00 N ATOM 537 CA SER A 37 -4.952 11.029 -5.190 1.00 10.00 C ATOM 538 C SER A 37 -5.337 11.669 -6.526 1.00 10.00 C ATOM 539 O SER A 37 -5.087 12.854 -6.744 1.00 10.00 O ATOM 540 CB SER A 37 -6.198 10.813 -4.328 1.00 10.00 C ATOM 541 OG SER A 37 -6.241 11.710 -3.221 1.00 10.00 O ATOM 0 H SER A 37 -4.305 12.790 -4.258 1.00 10.00 H new ATOM 0 HA SER A 37 -4.499 10.055 -5.378 1.00 10.00 H new ATOM 0 HB2 SER A 37 -7.090 10.948 -4.939 1.00 10.00 H new ATOM 0 HB3 SER A 37 -6.214 9.786 -3.964 1.00 10.00 H new ATOM 0 HG SER A 37 -7.051 11.543 -2.696 1.00 10.00 H new ATOM 547 N PRO A 38 -5.952 10.838 -7.408 1.00 10.00 N ATOM 548 CA PRO A 38 -6.209 9.448 -7.070 1.00 10.00 C ATOM 549 C PRO A 38 -4.923 8.621 -7.135 1.00 10.00 C ATOM 550 O PRO A 38 -3.908 9.085 -7.649 1.00 10.00 O ATOM 551 CB PRO A 38 -7.261 8.989 -8.068 1.00 10.00 C ATOM 552 CG PRO A 38 -7.214 9.989 -9.211 1.00 10.00 C ATOM 553 CD PRO A 38 -6.418 11.196 -8.744 1.00 10.00 C ATOM 0 HA PRO A 38 -6.566 9.323 -6.048 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -7.049 7.980 -8.423 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -8.250 8.965 -7.610 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -6.749 9.542 -10.090 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -8.222 10.286 -9.500 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -5.582 11.402 -9.413 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -7.036 12.093 -8.721 1.00 10.00 H new ATOM 561 N HIS A 39 -5.010 7.409 -6.606 1.00 10.00 N ATOM 562 CA HIS A 39 -3.866 6.514 -6.596 1.00 10.00 C ATOM 563 C HIS A 39 -4.263 5.181 -5.958 1.00 10.00 C ATOM 564 O HIS A 39 -5.007 5.155 -4.977 1.00 10.00 O ATOM 565 CB HIS A 39 -2.668 7.169 -5.907 1.00 10.00 C ATOM 566 CG HIS A 39 -2.537 6.823 -4.442 1.00 10.00 C ATOM 567 ND1 HIS A 39 -1.764 5.770 -3.987 1.00 10.00 N ATOM 568 CD2 HIS A 39 -3.088 7.402 -3.337 1.00 10.00 C ATOM 569 CE1 HIS A 39 -1.853 5.725 -2.666 1.00 10.00 C ATOM 570 NE2 HIS A 39 -2.675 6.738 -2.265 1.00 10.00 N ATOM 0 H HIS A 39 -5.855 7.026 -6.182 1.00 10.00 H new ATOM 0 HA HIS A 39 -3.552 6.308 -7.619 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -1.756 6.869 -6.424 1.00 10.00 H new ATOM 0 HB3 HIS A 39 -2.751 8.251 -6.008 1.00 10.00 H new ATOM 0 HD2 HIS A 39 -3.749 8.256 -3.335 1.00 10.00 H new ATOM 0 HE1 HIS A 39 -1.362 5.012 -2.020 1.00 10.00 H new ATOM 0 HE2 HIS A 39 -2.930 6.950 -1.300 1.00 10.00 H new ATOM 578 N ASN A 40 -3.747 4.107 -6.536 1.00 10.00 N ATOM 579 CA ASN A 40 -4.039 2.775 -6.035 1.00 10.00 C ATOM 580 C ASN A 40 -2.727 2.025 -5.799 1.00 10.00 C ATOM 581 O ASN A 40 -1.650 2.541 -6.097 1.00 10.00 O ATOM 582 CB ASN A 40 -4.864 1.974 -7.045 1.00 10.00 C ATOM 583 CG ASN A 40 -4.406 2.259 -8.476 1.00 10.00 C ATOM 584 OD1 ASN A 40 -5.122 2.833 -9.282 1.00 10.00 O ATOM 585 ND2 ASN A 40 -3.178 1.828 -8.746 1.00 10.00 N ATOM 0 H ASN A 40 -3.128 4.132 -7.347 1.00 10.00 H new ATOM 0 HA ASN A 40 -4.605 2.880 -5.109 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -4.769 0.909 -6.834 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -5.919 2.227 -6.940 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -2.780 1.970 -9.674 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -2.633 1.355 -8.025 1.00 10.00 H new ATOM 592 N ILE A 41 -2.858 0.820 -5.265 1.00 10.00 N ATOM 593 CA ILE A 41 -1.695 -0.006 -4.985 1.00 10.00 C ATOM 594 C ILE A 41 -1.908 -1.399 -5.581 1.00 10.00 C ATOM 595 O ILE A 41 -2.193 -2.351 -4.856 1.00 10.00 O ATOM 596 CB ILE A 41 -1.395 -0.018 -3.485 1.00 10.00 C ATOM 597 CG1 ILE A 41 -1.441 1.398 -2.906 1.00 10.00 C ATOM 598 CG2 ILE A 41 -0.063 -0.712 -3.199 1.00 10.00 C ATOM 599 CD1 ILE A 41 -1.887 1.376 -1.443 1.00 10.00 C ATOM 0 H ILE A 41 -3.752 0.395 -5.018 1.00 10.00 H new ATOM 0 HA ILE A 41 -0.808 0.412 -5.461 1.00 10.00 H new ATOM 0 HB ILE A 41 -2.172 -0.595 -2.985 1.00 10.00 H new ATOM 0 HG12 ILE A 41 -0.456 1.859 -2.983 1.00 10.00 H new ATOM 0 HG13 ILE A 41 -2.127 2.012 -3.490 1.00 10.00 H new ATOM 0 HG21 ILE A 41 0.127 -0.707 -2.126 1.00 10.00 H new ATOM 0 HG22 ILE A 41 -0.105 -1.741 -3.555 1.00 10.00 H new ATOM 0 HG23 ILE A 41 0.740 -0.183 -3.712 1.00 10.00 H new ATOM 0 HD11 ILE A 41 -1.912 2.394 -1.055 1.00 10.00 H new ATOM 0 HD12 ILE A 41 -2.882 0.937 -1.373 1.00 10.00 H new ATOM 0 HD13 ILE A 41 -1.186 0.781 -0.858 1.00 10.00 H new ATOM 611 N VAL A 42 -1.765 -1.474 -6.896 1.00 10.00 N ATOM 612 CA VAL A 42 -1.938 -2.735 -7.597 1.00 10.00 C ATOM 613 C VAL A 42 -0.662 -3.568 -7.463 1.00 10.00 C ATOM 614 O VAL A 42 0.442 -3.049 -7.621 1.00 10.00 O ATOM 615 CB VAL A 42 -2.332 -2.474 -9.053 1.00 10.00 C ATOM 616 CG1 VAL A 42 -2.744 -3.772 -9.750 1.00 10.00 C ATOM 617 CG2 VAL A 42 -3.444 -1.427 -9.141 1.00 10.00 C ATOM 0 H VAL A 42 -1.531 -0.682 -7.495 1.00 10.00 H new ATOM 0 HA VAL A 42 -2.750 -3.311 -7.152 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.458 -2.078 -9.571 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -3.019 -3.559 -10.783 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -1.910 -4.474 -9.734 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.597 -4.209 -9.230 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.705 -1.260 -10.186 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.321 -1.782 -8.600 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.099 -0.492 -8.700 1.00 10.00 H new ATOM 627 N PHE A 43 -0.855 -4.847 -7.174 1.00 10.00 N ATOM 628 CA PHE A 43 0.266 -5.757 -7.017 1.00 10.00 C ATOM 629 C PHE A 43 0.375 -6.705 -8.214 1.00 10.00 C ATOM 630 O PHE A 43 -0.639 -7.137 -8.761 1.00 10.00 O ATOM 631 CB PHE A 43 0.004 -6.577 -5.753 1.00 10.00 C ATOM 632 CG PHE A 43 0.125 -5.776 -4.456 1.00 10.00 C ATOM 633 CD1 PHE A 43 -0.659 -4.683 -4.254 1.00 10.00 C ATOM 634 CD2 PHE A 43 1.019 -6.157 -3.502 1.00 10.00 C ATOM 635 CE1 PHE A 43 -0.546 -3.940 -3.049 1.00 10.00 C ATOM 636 CE2 PHE A 43 1.131 -5.413 -2.298 1.00 10.00 C ATOM 637 CZ PHE A 43 0.347 -4.321 -2.096 1.00 10.00 C ATOM 0 H PHE A 43 -1.772 -5.274 -7.045 1.00 10.00 H new ATOM 0 HA PHE A 43 1.196 -5.193 -6.949 1.00 10.00 H new ATOM 0 HB2 PHE A 43 -0.996 -7.006 -5.811 1.00 10.00 H new ATOM 0 HB3 PHE A 43 0.706 -7.410 -5.720 1.00 10.00 H new ATOM 0 HD1 PHE A 43 -1.368 -4.380 -5.010 1.00 10.00 H new ATOM 0 HD2 PHE A 43 1.642 -7.024 -3.661 1.00 10.00 H new ATOM 0 HE1 PHE A 43 -1.169 -3.072 -2.889 1.00 10.00 H new ATOM 0 HE2 PHE A 43 1.840 -5.715 -1.541 1.00 10.00 H new ATOM 0 HZ PHE A 43 0.433 -3.756 -1.179 1.00 10.00 H new ATOM 647 N ALA A 44 1.612 -7.001 -8.583 1.00 10.00 N ATOM 648 CA ALA A 44 1.865 -7.889 -9.704 1.00 10.00 C ATOM 649 C ALA A 44 2.055 -9.316 -9.185 1.00 10.00 C ATOM 650 O ALA A 44 2.643 -9.522 -8.124 1.00 10.00 O ATOM 651 CB ALA A 44 3.079 -7.389 -10.489 1.00 10.00 C ATOM 0 H ALA A 44 2.450 -6.642 -8.126 1.00 10.00 H new ATOM 0 HA ALA A 44 1.016 -7.896 -10.387 1.00 10.00 H new ATOM 0 HB1 ALA A 44 3.268 -8.056 -11.330 1.00 10.00 H new ATOM 0 HB2 ALA A 44 2.883 -6.383 -10.860 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.952 -7.371 -9.837 1.00 10.00 H new ATOM 657 N ALA A 45 1.547 -10.265 -9.957 1.00 10.00 N ATOM 658 CA ALA A 45 1.653 -11.668 -9.588 1.00 10.00 C ATOM 659 C ALA A 45 2.779 -12.318 -10.395 1.00 10.00 C ATOM 660 O ALA A 45 2.523 -13.008 -11.380 1.00 10.00 O ATOM 661 CB ALA A 45 0.305 -12.356 -9.808 1.00 10.00 C ATOM 0 H ALA A 45 1.061 -10.091 -10.837 1.00 10.00 H new ATOM 0 HA ALA A 45 1.902 -11.771 -8.532 1.00 10.00 H new ATOM 0 HB1 ALA A 45 0.384 -13.407 -9.532 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -0.454 -11.875 -9.191 1.00 10.00 H new ATOM 0 HB3 ALA A 45 0.023 -12.277 -10.858 1.00 10.00 H new ATOM 667 N ASP A 46 4.001 -12.077 -9.944 1.00 10.00 N ATOM 668 CA ASP A 46 5.168 -12.631 -10.611 1.00 10.00 C ATOM 669 C ASP A 46 5.679 -13.834 -9.817 1.00 10.00 C ATOM 670 O ASP A 46 6.352 -13.670 -8.800 1.00 10.00 O ATOM 671 CB ASP A 46 6.296 -11.601 -10.692 1.00 10.00 C ATOM 672 CG ASP A 46 7.539 -12.065 -11.454 1.00 10.00 C ATOM 673 OD1 ASP A 46 7.364 -12.884 -12.382 1.00 10.00 O ATOM 674 OD2 ASP A 46 8.638 -11.589 -11.093 1.00 10.00 O ATOM 0 H ASP A 46 4.209 -11.506 -9.125 1.00 10.00 H new ATOM 0 HA ASP A 46 4.875 -12.923 -11.619 1.00 10.00 H new ATOM 0 HB2 ASP A 46 5.911 -10.699 -11.168 1.00 10.00 H new ATOM 0 HB3 ASP A 46 6.590 -11.326 -9.679 1.00 10.00 H new ATOM 679 N GLY A 47 5.343 -15.016 -10.312 1.00 10.00 N ATOM 680 CA GLY A 47 5.761 -16.247 -9.661 1.00 10.00 C ATOM 681 C GLY A 47 4.721 -16.706 -8.638 1.00 10.00 C ATOM 682 O GLY A 47 4.594 -17.899 -8.370 1.00 10.00 O ATOM 0 H GLY A 47 4.786 -15.148 -11.156 1.00 10.00 H new ATOM 0 HA2 GLY A 47 5.909 -17.026 -10.409 1.00 10.00 H new ATOM 0 HA3 GLY A 47 6.720 -16.094 -9.166 1.00 10.00 H new ATOM 686 N VAL A 48 4.004 -15.733 -8.093 1.00 10.00 N ATOM 687 CA VAL A 48 2.980 -16.022 -7.104 1.00 10.00 C ATOM 688 C VAL A 48 1.652 -16.294 -7.817 1.00 10.00 C ATOM 689 O VAL A 48 1.533 -16.072 -9.020 1.00 10.00 O ATOM 690 CB VAL A 48 2.892 -14.879 -6.091 1.00 10.00 C ATOM 691 CG1 VAL A 48 2.294 -15.364 -4.768 1.00 10.00 C ATOM 692 CG2 VAL A 48 4.263 -14.236 -5.871 1.00 10.00 C ATOM 0 H VAL A 48 4.113 -14.744 -8.318 1.00 10.00 H new ATOM 0 HA VAL A 48 3.236 -16.918 -6.539 1.00 10.00 H new ATOM 0 HB VAL A 48 2.227 -14.118 -6.500 1.00 10.00 H new ATOM 0 HG11 VAL A 48 2.243 -14.532 -4.065 1.00 10.00 H new ATOM 0 HG12 VAL A 48 1.291 -15.754 -4.943 1.00 10.00 H new ATOM 0 HG13 VAL A 48 2.922 -16.152 -4.352 1.00 10.00 H new ATOM 0 HG21 VAL A 48 4.173 -13.426 -5.147 1.00 10.00 H new ATOM 0 HG22 VAL A 48 4.960 -14.985 -5.494 1.00 10.00 H new ATOM 0 HG23 VAL A 48 4.634 -13.838 -6.816 1.00 10.00 H new ATOM 702 N ASP A 49 0.688 -16.772 -7.041 1.00 10.00 N ATOM 703 CA ASP A 49 -0.624 -17.074 -7.583 1.00 10.00 C ATOM 704 C ASP A 49 -1.391 -15.770 -7.811 1.00 10.00 C ATOM 705 O ASP A 49 -1.219 -14.806 -7.068 1.00 10.00 O ATOM 706 CB ASP A 49 -1.435 -17.935 -6.610 1.00 10.00 C ATOM 707 CG ASP A 49 -0.606 -18.872 -5.729 1.00 10.00 C ATOM 708 OD1 ASP A 49 -0.021 -18.359 -4.751 1.00 10.00 O ATOM 709 OD2 ASP A 49 -0.576 -20.078 -6.055 1.00 10.00 O ATOM 0 H ASP A 49 0.791 -16.957 -6.043 1.00 10.00 H new ATOM 0 HA ASP A 49 -0.486 -17.616 -8.518 1.00 10.00 H new ATOM 0 HB2 ASP A 49 -2.018 -17.277 -5.966 1.00 10.00 H new ATOM 0 HB3 ASP A 49 -2.145 -18.532 -7.182 1.00 10.00 H new ATOM 714 N ALA A 50 -2.223 -15.784 -8.844 1.00 10.00 N ATOM 715 CA ALA A 50 -3.016 -14.613 -9.180 1.00 10.00 C ATOM 716 C ALA A 50 -4.019 -14.343 -8.058 1.00 10.00 C ATOM 717 O ALA A 50 -4.010 -13.270 -7.458 1.00 10.00 O ATOM 718 CB ALA A 50 -3.698 -14.831 -10.533 1.00 10.00 C ATOM 0 H ALA A 50 -2.365 -16.586 -9.458 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.381 -13.732 -9.273 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -4.293 -13.954 -10.786 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -2.941 -14.990 -11.301 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -4.347 -15.705 -10.477 1.00 10.00 H new ATOM 724 N ASP A 51 -4.861 -15.336 -7.808 1.00 10.00 N ATOM 725 CA ASP A 51 -5.868 -15.218 -6.769 1.00 10.00 C ATOM 726 C ASP A 51 -5.265 -14.503 -5.557 1.00 10.00 C ATOM 727 O ASP A 51 -5.708 -13.417 -5.189 1.00 10.00 O ATOM 728 CB ASP A 51 -6.350 -16.596 -6.311 1.00 10.00 C ATOM 729 CG ASP A 51 -7.759 -16.976 -6.777 1.00 10.00 C ATOM 730 OD1 ASP A 51 -8.480 -16.053 -7.215 1.00 10.00 O ATOM 731 OD2 ASP A 51 -8.081 -18.180 -6.685 1.00 10.00 O ATOM 0 H ASP A 51 -4.866 -16.225 -8.308 1.00 10.00 H new ATOM 0 HA ASP A 51 -6.709 -14.658 -7.178 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -5.649 -17.348 -6.672 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -6.322 -16.631 -5.222 1.00 10.00 H new ATOM 736 N THR A 52 -4.263 -15.141 -4.972 1.00 10.00 N ATOM 737 CA THR A 52 -3.594 -14.581 -3.811 1.00 10.00 C ATOM 738 C THR A 52 -3.239 -13.113 -4.057 1.00 10.00 C ATOM 739 O THR A 52 -3.642 -12.236 -3.295 1.00 10.00 O ATOM 740 CB THR A 52 -2.379 -15.455 -3.496 1.00 10.00 C ATOM 741 OG1 THR A 52 -2.916 -16.539 -2.744 1.00 10.00 O ATOM 742 CG2 THR A 52 -1.404 -14.778 -2.530 1.00 10.00 C ATOM 0 H THR A 52 -3.898 -16.042 -5.281 1.00 10.00 H new ATOM 0 HA THR A 52 -4.248 -14.584 -2.939 1.00 10.00 H new ATOM 0 HB THR A 52 -1.860 -15.701 -4.422 1.00 10.00 H new ATOM 0 HG1 THR A 52 -2.195 -17.156 -2.499 1.00 10.00 H new ATOM 0 HG21 THR A 52 -0.560 -15.441 -2.340 1.00 10.00 H new ATOM 0 HG22 THR A 52 -1.043 -13.848 -2.970 1.00 10.00 H new ATOM 0 HG23 THR A 52 -1.913 -14.562 -1.591 1.00 10.00 H new ATOM 750 N ALA A 53 -2.488 -12.891 -5.126 1.00 10.00 N ATOM 751 CA ALA A 53 -2.073 -11.545 -5.484 1.00 10.00 C ATOM 752 C ALA A 53 -3.311 -10.658 -5.633 1.00 10.00 C ATOM 753 O ALA A 53 -3.226 -9.438 -5.496 1.00 10.00 O ATOM 754 CB ALA A 53 -1.232 -11.590 -6.760 1.00 10.00 C ATOM 0 H ALA A 53 -2.156 -13.621 -5.756 1.00 10.00 H new ATOM 0 HA ALA A 53 -1.450 -11.115 -4.700 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -0.922 -10.580 -7.027 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -0.350 -12.208 -6.593 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -1.824 -12.014 -7.571 1.00 10.00 H new ATOM 760 N ALA A 54 -4.434 -11.304 -5.909 1.00 10.00 N ATOM 761 CA ALA A 54 -5.687 -10.589 -6.079 1.00 10.00 C ATOM 762 C ALA A 54 -6.135 -10.029 -4.729 1.00 10.00 C ATOM 763 O ALA A 54 -6.729 -8.952 -4.666 1.00 10.00 O ATOM 764 CB ALA A 54 -6.729 -11.526 -6.698 1.00 10.00 C ATOM 0 H ALA A 54 -4.502 -12.316 -6.019 1.00 10.00 H new ATOM 0 HA ALA A 54 -5.561 -9.747 -6.760 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -7.670 -10.990 -6.826 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -6.375 -11.874 -7.668 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -6.885 -12.381 -6.041 1.00 10.00 H new ATOM 770 N LYS A 55 -5.837 -10.783 -3.682 1.00 10.00 N ATOM 771 CA LYS A 55 -6.202 -10.375 -2.336 1.00 10.00 C ATOM 772 C LYS A 55 -5.137 -9.422 -1.790 1.00 10.00 C ATOM 773 O LYS A 55 -5.328 -8.805 -0.744 1.00 10.00 O ATOM 774 CB LYS A 55 -6.443 -11.600 -1.451 1.00 10.00 C ATOM 775 CG LYS A 55 -7.940 -11.836 -1.239 1.00 10.00 C ATOM 776 CD LYS A 55 -8.293 -13.314 -1.422 1.00 10.00 C ATOM 777 CE LYS A 55 -8.406 -14.021 -0.070 1.00 10.00 C ATOM 778 NZ LYS A 55 -7.883 -15.403 -0.162 1.00 10.00 N ATOM 0 H LYS A 55 -5.346 -11.675 -3.738 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.145 -9.828 -2.347 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.994 -12.480 -1.911 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -5.953 -11.459 -0.487 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -8.225 -11.512 -0.238 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -8.511 -11.232 -1.944 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -9.235 -13.402 -1.963 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -7.530 -13.802 -2.029 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -7.850 -13.465 0.685 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -9.448 -14.041 0.251 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -7.967 -15.868 0.764 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -8.431 -15.935 -0.868 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -6.883 -15.378 -0.447 1.00 10.00 H new ATOM 792 N LEU A 56 -4.038 -9.333 -2.524 1.00 10.00 N ATOM 793 CA LEU A 56 -2.941 -8.466 -2.126 1.00 10.00 C ATOM 794 C LEU A 56 -2.847 -7.291 -3.101 1.00 10.00 C ATOM 795 O LEU A 56 -2.061 -6.366 -2.892 1.00 10.00 O ATOM 796 CB LEU A 56 -1.644 -9.266 -2.000 1.00 10.00 C ATOM 797 CG LEU A 56 -1.541 -10.191 -0.785 1.00 10.00 C ATOM 798 CD1 LEU A 56 -0.721 -11.439 -1.115 1.00 10.00 C ATOM 799 CD2 LEU A 56 -0.985 -9.443 0.429 1.00 10.00 C ATOM 0 H LEU A 56 -3.883 -9.846 -3.392 1.00 10.00 H new ATOM 0 HA LEU A 56 -3.126 -8.047 -1.137 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.523 -9.868 -2.901 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -0.810 -8.565 -1.970 1.00 10.00 H new ATOM 0 HG LEU A 56 -2.545 -10.525 -0.524 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -0.663 -12.079 -0.235 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -1.199 -11.984 -1.929 1.00 10.00 H new ATOM 0 HD13 LEU A 56 0.284 -11.145 -1.416 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -0.922 -10.123 1.278 1.00 10.00 H new ATOM 0 HD22 LEU A 56 0.009 -9.060 0.197 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -1.645 -8.612 0.678 1.00 10.00 H new ATOM 811 N SER A 57 -3.657 -7.363 -4.147 1.00 10.00 N ATOM 812 CA SER A 57 -3.675 -6.317 -5.155 1.00 10.00 C ATOM 813 C SER A 57 -4.768 -5.297 -4.832 1.00 10.00 C ATOM 814 O SER A 57 -5.955 -5.620 -4.870 1.00 10.00 O ATOM 815 CB SER A 57 -3.891 -6.902 -6.552 1.00 10.00 C ATOM 816 OG SER A 57 -3.912 -5.892 -7.557 1.00 10.00 O ATOM 0 H SER A 57 -4.306 -8.131 -4.318 1.00 10.00 H new ATOM 0 HA SER A 57 -2.707 -5.817 -5.146 1.00 10.00 H new ATOM 0 HB2 SER A 57 -3.098 -7.616 -6.772 1.00 10.00 H new ATOM 0 HB3 SER A 57 -4.831 -7.453 -6.573 1.00 10.00 H new ATOM 0 HG SER A 57 -4.050 -6.306 -8.434 1.00 10.00 H new ATOM 822 N HIS A 58 -4.331 -4.086 -4.519 1.00 10.00 N ATOM 823 CA HIS A 58 -5.257 -3.017 -4.190 1.00 10.00 C ATOM 824 C HIS A 58 -5.666 -2.280 -5.467 1.00 10.00 C ATOM 825 O HIS A 58 -4.884 -1.509 -6.020 1.00 10.00 O ATOM 826 CB HIS A 58 -4.659 -2.085 -3.133 1.00 10.00 C ATOM 827 CG HIS A 58 -4.235 -2.788 -1.866 1.00 10.00 C ATOM 828 ND1 HIS A 58 -4.704 -2.427 -0.615 1.00 10.00 N ATOM 829 CD2 HIS A 58 -3.380 -3.832 -1.669 1.00 10.00 C ATOM 830 CE1 HIS A 58 -4.150 -3.224 0.285 1.00 10.00 C ATOM 831 NE2 HIS A 58 -3.329 -4.095 -0.370 1.00 10.00 N ATOM 0 H HIS A 58 -3.346 -3.822 -4.486 1.00 10.00 H new ATOM 0 HA HIS A 58 -6.161 -3.438 -3.750 1.00 10.00 H new ATOM 0 HB2 HIS A 58 -3.796 -1.574 -3.560 1.00 10.00 H new ATOM 0 HB3 HIS A 58 -5.392 -1.318 -2.883 1.00 10.00 H new ATOM 0 HD1 HIS A 58 -5.364 -1.675 -0.420 1.00 10.00 H new ATOM 0 HD2 HIS A 58 -2.836 -4.356 -2.441 1.00 10.00 H new ATOM 0 HE1 HIS A 58 -4.318 -3.191 1.351 1.00 10.00 H new ATOM 839 N LYS A 59 -6.891 -2.544 -5.898 1.00 10.00 N ATOM 840 CA LYS A 59 -7.413 -1.915 -7.099 1.00 10.00 C ATOM 841 C LYS A 59 -7.336 -0.395 -6.949 1.00 10.00 C ATOM 842 O LYS A 59 -6.987 0.309 -7.895 1.00 10.00 O ATOM 843 CB LYS A 59 -8.820 -2.432 -7.406 1.00 10.00 C ATOM 844 CG LYS A 59 -8.773 -3.584 -8.415 1.00 10.00 C ATOM 845 CD LYS A 59 -9.721 -3.325 -9.586 1.00 10.00 C ATOM 846 CE LYS A 59 -9.269 -2.111 -10.400 1.00 10.00 C ATOM 847 NZ LYS A 59 -10.314 -1.064 -10.395 1.00 10.00 N ATOM 0 H LYS A 59 -7.537 -3.185 -5.437 1.00 10.00 H new ATOM 0 HA LYS A 59 -6.804 -2.181 -7.963 1.00 10.00 H new ATOM 0 HB2 LYS A 59 -9.296 -2.769 -6.485 1.00 10.00 H new ATOM 0 HB3 LYS A 59 -9.431 -1.621 -7.803 1.00 10.00 H new ATOM 0 HG2 LYS A 59 -7.755 -3.706 -8.786 1.00 10.00 H new ATOM 0 HG3 LYS A 59 -9.046 -4.516 -7.921 1.00 10.00 H new ATOM 0 HD2 LYS A 59 -9.759 -4.204 -10.229 1.00 10.00 H new ATOM 0 HD3 LYS A 59 -10.731 -3.160 -9.211 1.00 10.00 H new ATOM 0 HE2 LYS A 59 -8.344 -1.711 -9.984 1.00 10.00 H new ATOM 0 HE3 LYS A 59 -9.054 -2.413 -11.425 1.00 10.00 H new ATOM 0 HZ1 LYS A 59 -9.907 -0.166 -10.725 1.00 10.00 H new ATOM 0 HZ2 LYS A 59 -11.090 -1.345 -11.028 1.00 10.00 H new ATOM 0 HZ3 LYS A 59 -10.681 -0.944 -9.429 1.00 10.00 H new ATOM 861 N GLY A 60 -7.669 0.067 -5.752 1.00 10.00 N ATOM 862 CA GLY A 60 -7.641 1.491 -5.466 1.00 10.00 C ATOM 863 C GLY A 60 -8.722 1.867 -4.450 1.00 10.00 C ATOM 864 O GLY A 60 -8.999 1.106 -3.524 1.00 10.00 O ATOM 0 H GLY A 60 -7.959 -0.520 -4.970 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -6.661 1.769 -5.079 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -7.791 2.054 -6.387 1.00 10.00 H new ATOM 868 N LEU A 61 -9.303 3.039 -4.658 1.00 10.00 N ATOM 869 CA LEU A 61 -10.348 3.525 -3.774 1.00 10.00 C ATOM 870 C LEU A 61 -9.708 4.181 -2.548 1.00 10.00 C ATOM 871 O LEU A 61 -10.283 4.168 -1.461 1.00 10.00 O ATOM 872 CB LEU A 61 -11.323 2.398 -3.427 1.00 10.00 C ATOM 873 CG LEU A 61 -12.809 2.713 -3.620 1.00 10.00 C ATOM 874 CD1 LEU A 61 -13.663 1.456 -3.453 1.00 10.00 C ATOM 875 CD2 LEU A 61 -13.256 3.838 -2.683 1.00 10.00 C ATOM 0 H LEU A 61 -9.069 3.667 -5.427 1.00 10.00 H new ATOM 0 HA LEU A 61 -10.943 4.290 -4.273 1.00 10.00 H new ATOM 0 HB2 LEU A 61 -11.074 1.529 -4.036 1.00 10.00 H new ATOM 0 HB3 LEU A 61 -11.164 2.114 -2.387 1.00 10.00 H new ATOM 0 HG LEU A 61 -12.953 3.066 -4.641 1.00 10.00 H new ATOM 0 HD11 LEU A 61 -14.714 1.708 -3.595 1.00 10.00 H new ATOM 0 HD12 LEU A 61 -13.365 0.713 -4.193 1.00 10.00 H new ATOM 0 HD13 LEU A 61 -13.520 1.049 -2.452 1.00 10.00 H new ATOM 0 HD21 LEU A 61 -14.315 4.043 -2.840 1.00 10.00 H new ATOM 0 HD22 LEU A 61 -13.094 3.536 -1.648 1.00 10.00 H new ATOM 0 HD23 LEU A 61 -12.678 4.738 -2.893 1.00 10.00 H new ATOM 887 N ALA A 62 -8.526 4.739 -2.766 1.00 10.00 N ATOM 888 CA ALA A 62 -7.801 5.400 -1.693 1.00 10.00 C ATOM 889 C ALA A 62 -7.626 6.880 -2.038 1.00 10.00 C ATOM 890 O ALA A 62 -6.951 7.220 -3.010 1.00 10.00 O ATOM 891 CB ALA A 62 -6.464 4.691 -1.469 1.00 10.00 C ATOM 0 H ALA A 62 -8.052 4.747 -3.669 1.00 10.00 H new ATOM 0 HA ALA A 62 -8.361 5.344 -0.759 1.00 10.00 H new ATOM 0 HB1 ALA A 62 -5.920 5.186 -0.665 1.00 10.00 H new ATOM 0 HB2 ALA A 62 -6.645 3.651 -1.198 1.00 10.00 H new ATOM 0 HB3 ALA A 62 -5.873 4.730 -2.384 1.00 10.00 H new ATOM 897 N PHE A 63 -8.247 7.722 -1.225 1.00 10.00 N ATOM 898 CA PHE A 63 -8.168 9.158 -1.431 1.00 10.00 C ATOM 899 C PHE A 63 -8.614 9.918 -0.181 1.00 10.00 C ATOM 900 O PHE A 63 -7.999 10.913 0.199 1.00 10.00 O ATOM 901 CB PHE A 63 -9.113 9.496 -2.585 1.00 10.00 C ATOM 902 CG PHE A 63 -10.566 9.084 -2.339 1.00 10.00 C ATOM 903 CD1 PHE A 63 -10.935 7.783 -2.475 1.00 10.00 C ATOM 904 CD2 PHE A 63 -11.488 10.018 -1.985 1.00 10.00 C ATOM 905 CE1 PHE A 63 -12.284 7.398 -2.247 1.00 10.00 C ATOM 906 CE2 PHE A 63 -12.837 9.635 -1.758 1.00 10.00 C ATOM 907 CZ PHE A 63 -13.206 8.334 -1.893 1.00 10.00 C ATOM 0 H PHE A 63 -8.807 7.437 -0.422 1.00 10.00 H new ATOM 0 HA PHE A 63 -7.140 9.447 -1.649 1.00 10.00 H new ATOM 0 HB2 PHE A 63 -9.076 10.570 -2.769 1.00 10.00 H new ATOM 0 HB3 PHE A 63 -8.755 9.005 -3.490 1.00 10.00 H new ATOM 0 HD1 PHE A 63 -10.202 7.041 -2.757 1.00 10.00 H new ATOM 0 HD2 PHE A 63 -11.195 11.052 -1.876 1.00 10.00 H new ATOM 0 HE1 PHE A 63 -12.577 6.364 -2.355 1.00 10.00 H new ATOM 0 HE2 PHE A 63 -13.569 10.378 -1.478 1.00 10.00 H new ATOM 0 HZ PHE A 63 -14.231 8.043 -1.719 1.00 10.00 H new ATOM 917 N ALA A 64 -9.682 9.419 0.424 1.00 10.00 N ATOM 918 CA ALA A 64 -10.219 10.039 1.626 1.00 10.00 C ATOM 919 C ALA A 64 -9.480 9.494 2.849 1.00 10.00 C ATOM 920 O ALA A 64 -9.715 8.360 3.265 1.00 10.00 O ATOM 921 CB ALA A 64 -11.727 9.792 1.696 1.00 10.00 C ATOM 0 H ALA A 64 -10.190 8.594 0.106 1.00 10.00 H new ATOM 0 HA ALA A 64 -10.066 11.118 1.604 1.00 10.00 H new ATOM 0 HB1 ALA A 64 -12.130 10.256 2.596 1.00 10.00 H new ATOM 0 HB2 ALA A 64 -12.208 10.224 0.818 1.00 10.00 H new ATOM 0 HB3 ALA A 64 -11.919 8.719 1.724 1.00 10.00 H new ATOM 927 N ALA A 65 -8.602 10.326 3.390 1.00 10.00 N ATOM 928 CA ALA A 65 -7.829 9.942 4.558 1.00 10.00 C ATOM 929 C ALA A 65 -8.757 9.310 5.595 1.00 10.00 C ATOM 930 O ALA A 65 -9.608 9.990 6.168 1.00 10.00 O ATOM 931 CB ALA A 65 -7.088 11.164 5.105 1.00 10.00 C ATOM 0 H ALA A 65 -8.409 11.265 3.041 1.00 10.00 H new ATOM 0 HA ALA A 65 -7.078 9.198 4.292 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -6.508 10.876 5.982 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -6.418 11.556 4.340 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -7.809 11.932 5.384 1.00 10.00 H new ATOM 937 N GLY A 66 -8.564 8.017 5.806 1.00 10.00 N ATOM 938 CA GLY A 66 -9.374 7.286 6.767 1.00 10.00 C ATOM 939 C GLY A 66 -9.515 5.818 6.360 1.00 10.00 C ATOM 940 O GLY A 66 -9.256 4.921 7.161 1.00 10.00 O ATOM 0 H GLY A 66 -7.859 7.456 5.328 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -8.919 7.351 7.755 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -10.361 7.744 6.839 1.00 10.00 H new ATOM 944 N GLU A 67 -9.925 5.619 5.116 1.00 10.00 N ATOM 945 CA GLU A 67 -10.104 4.274 4.592 1.00 10.00 C ATOM 946 C GLU A 67 -8.745 3.636 4.298 1.00 10.00 C ATOM 947 O GLU A 67 -8.091 3.986 3.317 1.00 10.00 O ATOM 948 CB GLU A 67 -10.989 4.284 3.345 1.00 10.00 C ATOM 949 CG GLU A 67 -12.438 4.618 3.703 1.00 10.00 C ATOM 950 CD GLU A 67 -13.293 4.771 2.443 1.00 10.00 C ATOM 951 OE1 GLU A 67 -13.363 3.783 1.681 1.00 10.00 O ATOM 952 OE2 GLU A 67 -13.857 5.874 2.271 1.00 10.00 O ATOM 0 H GLU A 67 -10.139 6.366 4.455 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.609 3.673 5.348 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -10.609 5.015 2.631 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.947 3.310 2.857 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -12.851 3.831 4.334 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -12.470 5.541 4.283 1.00 10.00 H new ATOM 959 N SER A 68 -8.361 2.708 5.163 1.00 10.00 N ATOM 960 CA SER A 68 -7.094 2.018 5.008 1.00 10.00 C ATOM 961 C SER A 68 -7.335 0.573 4.566 1.00 10.00 C ATOM 962 O SER A 68 -8.294 -0.061 5.003 1.00 10.00 O ATOM 963 CB SER A 68 -6.286 2.048 6.308 1.00 10.00 C ATOM 964 OG SER A 68 -6.290 3.339 6.909 1.00 10.00 O ATOM 0 H SER A 68 -8.907 2.419 5.974 1.00 10.00 H new ATOM 0 HA SER A 68 -6.516 2.534 4.241 1.00 10.00 H new ATOM 0 HB2 SER A 68 -6.698 1.321 7.008 1.00 10.00 H new ATOM 0 HB3 SER A 68 -5.259 1.747 6.103 1.00 10.00 H new ATOM 0 HG SER A 68 -6.312 3.246 7.884 1.00 10.00 H new ATOM 970 N PHE A 69 -6.449 0.095 3.704 1.00 10.00 N ATOM 971 CA PHE A 69 -6.555 -1.263 3.198 1.00 10.00 C ATOM 972 C PHE A 69 -5.640 -2.210 3.978 1.00 10.00 C ATOM 973 O PHE A 69 -4.800 -1.766 4.758 1.00 10.00 O ATOM 974 CB PHE A 69 -6.110 -1.231 1.735 1.00 10.00 C ATOM 975 CG PHE A 69 -6.861 -0.210 0.878 1.00 10.00 C ATOM 976 CD1 PHE A 69 -8.185 0.017 1.093 1.00 10.00 C ATOM 977 CD2 PHE A 69 -6.204 0.473 -0.099 1.00 10.00 C ATOM 978 CE1 PHE A 69 -8.881 0.963 0.297 1.00 10.00 C ATOM 979 CE2 PHE A 69 -6.901 1.420 -0.894 1.00 10.00 C ATOM 980 CZ PHE A 69 -8.225 1.646 -0.678 1.00 10.00 C ATOM 0 H PHE A 69 -5.655 0.624 3.343 1.00 10.00 H new ATOM 0 HA PHE A 69 -7.579 -1.622 3.303 1.00 10.00 H new ATOM 0 HB2 PHE A 69 -5.044 -1.009 1.695 1.00 10.00 H new ATOM 0 HB3 PHE A 69 -6.246 -2.222 1.303 1.00 10.00 H new ATOM 0 HD1 PHE A 69 -8.706 -0.523 1.870 1.00 10.00 H new ATOM 0 HD2 PHE A 69 -5.153 0.294 -0.269 1.00 10.00 H new ATOM 0 HE1 PHE A 69 -9.933 1.141 0.466 1.00 10.00 H new ATOM 0 HE2 PHE A 69 -6.380 1.961 -1.670 1.00 10.00 H new ATOM 0 HZ PHE A 69 -8.755 2.368 -1.281 1.00 10.00 H new ATOM 990 N THR A 70 -5.833 -3.498 3.737 1.00 10.00 N ATOM 991 CA THR A 70 -5.034 -4.512 4.405 1.00 10.00 C ATOM 992 C THR A 70 -4.788 -5.699 3.471 1.00 10.00 C ATOM 993 O THR A 70 -5.641 -6.034 2.650 1.00 10.00 O ATOM 994 CB THR A 70 -5.751 -4.898 5.701 1.00 10.00 C ATOM 995 OG1 THR A 70 -6.208 -3.656 6.229 1.00 10.00 O ATOM 996 CG2 THR A 70 -4.788 -5.424 6.768 1.00 10.00 C ATOM 0 H THR A 70 -6.531 -3.863 3.089 1.00 10.00 H new ATOM 0 HA THR A 70 -4.046 -4.131 4.662 1.00 10.00 H new ATOM 0 HB THR A 70 -6.505 -5.655 5.487 1.00 10.00 H new ATOM 0 HG1 THR A 70 -6.686 -3.814 7.070 1.00 10.00 H new ATOM 0 HG21 THR A 70 -5.347 -5.683 7.667 1.00 10.00 H new ATOM 0 HG22 THR A 70 -4.276 -6.309 6.391 1.00 10.00 H new ATOM 0 HG23 THR A 70 -4.054 -4.654 7.007 1.00 10.00 H new ATOM 1004 N SER A 71 -3.618 -6.301 3.627 1.00 10.00 N ATOM 1005 CA SER A 71 -3.249 -7.442 2.807 1.00 10.00 C ATOM 1006 C SER A 71 -2.407 -8.422 3.625 1.00 10.00 C ATOM 1007 O SER A 71 -1.400 -8.038 4.219 1.00 10.00 O ATOM 1008 CB SER A 71 -2.484 -6.999 1.559 1.00 10.00 C ATOM 1009 OG SER A 71 -1.082 -6.910 1.796 1.00 10.00 O ATOM 0 H SER A 71 -2.913 -6.020 4.309 1.00 10.00 H new ATOM 0 HA SER A 71 -4.163 -7.940 2.482 1.00 10.00 H new ATOM 0 HB2 SER A 71 -2.671 -7.705 0.750 1.00 10.00 H new ATOM 0 HB3 SER A 71 -2.858 -6.030 1.229 1.00 10.00 H new ATOM 0 HG SER A 71 -0.740 -6.071 1.422 1.00 10.00 H new ATOM 1015 N THR A 72 -2.848 -9.671 3.633 1.00 10.00 N ATOM 1016 CA THR A 72 -2.148 -10.710 4.369 1.00 10.00 C ATOM 1017 C THR A 72 -1.384 -11.623 3.407 1.00 10.00 C ATOM 1018 O THR A 72 -1.915 -12.026 2.374 1.00 10.00 O ATOM 1019 CB THR A 72 -3.173 -11.454 5.228 1.00 10.00 C ATOM 1020 OG1 THR A 72 -4.034 -10.427 5.709 1.00 10.00 O ATOM 1021 CG2 THR A 72 -2.554 -12.046 6.496 1.00 10.00 C ATOM 0 H THR A 72 -3.683 -9.988 3.140 1.00 10.00 H new ATOM 0 HA THR A 72 -1.394 -10.285 5.032 1.00 10.00 H new ATOM 0 HB THR A 72 -3.629 -12.251 4.640 1.00 10.00 H new ATOM 0 HG1 THR A 72 -4.123 -10.503 6.682 1.00 10.00 H new ATOM 0 HG21 THR A 72 -3.324 -12.563 7.069 1.00 10.00 H new ATOM 0 HG22 THR A 72 -1.770 -12.752 6.223 1.00 10.00 H new ATOM 0 HG23 THR A 72 -2.127 -11.246 7.100 1.00 10.00 H new ATOM 1029 N PHE A 73 -0.149 -11.920 3.780 1.00 10.00 N ATOM 1030 CA PHE A 73 0.694 -12.777 2.964 1.00 10.00 C ATOM 1031 C PHE A 73 0.990 -14.097 3.679 1.00 10.00 C ATOM 1032 O PHE A 73 1.866 -14.159 4.540 1.00 10.00 O ATOM 1033 CB PHE A 73 2.010 -12.028 2.738 1.00 10.00 C ATOM 1034 CG PHE A 73 1.917 -10.905 1.704 1.00 10.00 C ATOM 1035 CD1 PHE A 73 1.929 -11.201 0.376 1.00 10.00 C ATOM 1036 CD2 PHE A 73 1.821 -9.611 2.111 1.00 10.00 C ATOM 1037 CE1 PHE A 73 1.842 -10.159 -0.585 1.00 10.00 C ATOM 1038 CE2 PHE A 73 1.736 -8.569 1.151 1.00 10.00 C ATOM 1039 CZ PHE A 73 1.747 -8.865 -0.177 1.00 10.00 C ATOM 0 H PHE A 73 0.289 -11.582 4.637 1.00 10.00 H new ATOM 0 HA PHE A 73 0.190 -13.008 2.025 1.00 10.00 H new ATOM 0 HB2 PHE A 73 2.345 -11.608 3.686 1.00 10.00 H new ATOM 0 HB3 PHE A 73 2.771 -12.740 2.419 1.00 10.00 H new ATOM 0 HD1 PHE A 73 2.005 -12.229 0.053 1.00 10.00 H new ATOM 0 HD2 PHE A 73 1.809 -9.376 3.165 1.00 10.00 H new ATOM 0 HE1 PHE A 73 1.851 -10.394 -1.639 1.00 10.00 H new ATOM 0 HE2 PHE A 73 1.663 -7.541 1.475 1.00 10.00 H new ATOM 0 HZ PHE A 73 1.680 -8.072 -0.907 1.00 10.00 H new ATOM 1049 N THR A 74 0.242 -15.122 3.294 1.00 10.00 N ATOM 1050 CA THR A 74 0.411 -16.436 3.888 1.00 10.00 C ATOM 1051 C THR A 74 1.473 -17.232 3.125 1.00 10.00 C ATOM 1052 O THR A 74 1.820 -18.346 3.516 1.00 10.00 O ATOM 1053 CB THR A 74 -0.957 -17.122 3.919 1.00 10.00 C ATOM 1054 OG1 THR A 74 -1.876 -16.052 4.120 1.00 10.00 O ATOM 1055 CG2 THR A 74 -1.139 -18.008 5.152 1.00 10.00 C ATOM 0 H THR A 74 -0.482 -15.068 2.578 1.00 10.00 H new ATOM 0 HA THR A 74 0.776 -16.363 4.912 1.00 10.00 H new ATOM 0 HB THR A 74 -1.083 -17.724 3.019 1.00 10.00 H new ATOM 0 HG1 THR A 74 -2.789 -16.407 4.151 1.00 10.00 H new ATOM 0 HG21 THR A 74 -2.126 -18.471 5.125 1.00 10.00 H new ATOM 0 HG22 THR A 74 -0.374 -18.784 5.158 1.00 10.00 H new ATOM 0 HG23 THR A 74 -1.047 -17.401 6.053 1.00 10.00 H new ATOM 1063 N GLU A 75 1.958 -16.630 2.049 1.00 10.00 N ATOM 1064 CA GLU A 75 2.973 -17.268 1.228 1.00 10.00 C ATOM 1065 C GLU A 75 4.257 -16.436 1.229 1.00 10.00 C ATOM 1066 O GLU A 75 4.210 -15.216 1.085 1.00 10.00 O ATOM 1067 CB GLU A 75 2.464 -17.490 -0.197 1.00 10.00 C ATOM 1068 CG GLU A 75 3.198 -18.656 -0.866 1.00 10.00 C ATOM 1069 CD GLU A 75 2.994 -19.954 -0.082 1.00 10.00 C ATOM 1070 OE1 GLU A 75 1.897 -20.100 0.499 1.00 10.00 O ATOM 1071 OE2 GLU A 75 3.940 -20.770 -0.080 1.00 10.00 O ATOM 0 H GLU A 75 1.667 -15.707 1.727 1.00 10.00 H new ATOM 0 HA GLU A 75 3.197 -18.245 1.655 1.00 10.00 H new ATOM 0 HB2 GLU A 75 1.393 -17.693 -0.177 1.00 10.00 H new ATOM 0 HB3 GLU A 75 2.606 -16.582 -0.783 1.00 10.00 H new ATOM 0 HG2 GLU A 75 2.835 -18.782 -1.886 1.00 10.00 H new ATOM 0 HG3 GLU A 75 4.262 -18.430 -0.932 1.00 10.00 H new ATOM 1078 N PRO A 76 5.403 -17.148 1.396 1.00 10.00 N ATOM 1079 CA PRO A 76 6.698 -16.488 1.417 1.00 10.00 C ATOM 1080 C PRO A 76 7.123 -16.071 0.009 1.00 10.00 C ATOM 1081 O PRO A 76 6.980 -16.839 -0.941 1.00 10.00 O ATOM 1082 CB PRO A 76 7.644 -17.498 2.047 1.00 10.00 C ATOM 1083 CG PRO A 76 6.953 -18.846 1.931 1.00 10.00 C ATOM 1084 CD PRO A 76 5.497 -18.594 1.569 1.00 10.00 C ATOM 0 HA PRO A 76 6.688 -15.560 1.989 1.00 10.00 H new ATOM 0 HB2 PRO A 76 8.605 -17.506 1.533 1.00 10.00 H new ATOM 0 HB3 PRO A 76 7.843 -17.249 3.090 1.00 10.00 H new ATOM 0 HG2 PRO A 76 7.435 -19.458 1.169 1.00 10.00 H new ATOM 0 HG3 PRO A 76 7.023 -19.393 2.871 1.00 10.00 H new ATOM 0 HD2 PRO A 76 5.219 -19.121 0.656 1.00 10.00 H new ATOM 0 HD3 PRO A 76 4.827 -18.943 2.355 1.00 10.00 H new ATOM 1092 N GLY A 77 7.637 -14.854 -0.083 1.00 10.00 N ATOM 1093 CA GLY A 77 8.084 -14.323 -1.360 1.00 10.00 C ATOM 1094 C GLY A 77 8.136 -12.794 -1.332 1.00 10.00 C ATOM 1095 O GLY A 77 7.884 -12.180 -0.297 1.00 10.00 O ATOM 0 H GLY A 77 7.754 -14.219 0.707 1.00 10.00 H new ATOM 0 HA2 GLY A 77 9.071 -14.719 -1.597 1.00 10.00 H new ATOM 0 HA3 GLY A 77 7.410 -14.653 -2.151 1.00 10.00 H new ATOM 1099 N THR A 78 8.466 -12.224 -2.482 1.00 10.00 N ATOM 1100 CA THR A 78 8.552 -10.779 -2.601 1.00 10.00 C ATOM 1101 C THR A 78 7.522 -10.263 -3.608 1.00 10.00 C ATOM 1102 O THR A 78 7.448 -10.757 -4.734 1.00 10.00 O ATOM 1103 CB THR A 78 9.994 -10.422 -2.970 1.00 10.00 C ATOM 1104 OG1 THR A 78 10.715 -10.585 -1.752 1.00 10.00 O ATOM 1105 CG2 THR A 78 10.162 -8.937 -3.305 1.00 10.00 C ATOM 0 H THR A 78 8.677 -12.736 -3.338 1.00 10.00 H new ATOM 0 HA THR A 78 8.310 -10.289 -1.658 1.00 10.00 H new ATOM 0 HB THR A 78 10.311 -11.025 -3.821 1.00 10.00 H new ATOM 0 HG1 THR A 78 11.661 -10.375 -1.901 1.00 10.00 H new ATOM 0 HG21 THR A 78 11.203 -8.737 -3.560 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.525 -8.681 -4.152 1.00 10.00 H new ATOM 0 HG23 THR A 78 9.877 -8.335 -2.442 1.00 10.00 H new ATOM 1113 N TYR A 79 6.753 -9.278 -3.168 1.00 10.00 N ATOM 1114 CA TYR A 79 5.731 -8.691 -4.017 1.00 10.00 C ATOM 1115 C TYR A 79 6.112 -7.268 -4.430 1.00 10.00 C ATOM 1116 O TYR A 79 6.982 -6.650 -3.817 1.00 10.00 O ATOM 1117 CB TYR A 79 4.458 -8.639 -3.170 1.00 10.00 C ATOM 1118 CG TYR A 79 3.825 -10.009 -2.916 1.00 10.00 C ATOM 1119 CD1 TYR A 79 4.248 -10.778 -1.851 1.00 10.00 C ATOM 1120 CD2 TYR A 79 2.828 -10.475 -3.750 1.00 10.00 C ATOM 1121 CE1 TYR A 79 3.653 -12.066 -1.610 1.00 10.00 C ATOM 1122 CE2 TYR A 79 2.233 -11.763 -3.509 1.00 10.00 C ATOM 1123 CZ TYR A 79 2.674 -12.496 -2.453 1.00 10.00 C ATOM 1124 OH TYR A 79 2.112 -13.712 -2.226 1.00 10.00 O ATOM 0 H TYR A 79 6.817 -8.872 -2.235 1.00 10.00 H new ATOM 0 HA TYR A 79 5.605 -9.278 -4.927 1.00 10.00 H new ATOM 0 HB2 TYR A 79 4.690 -8.174 -2.212 1.00 10.00 H new ATOM 0 HB3 TYR A 79 3.729 -7.999 -3.667 1.00 10.00 H new ATOM 0 HD1 TYR A 79 5.027 -10.413 -1.198 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.495 -9.873 -4.583 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.975 -12.677 -0.780 1.00 10.00 H new ATOM 0 HE2 TYR A 79 1.452 -12.139 -4.154 1.00 10.00 H new ATOM 0 HH TYR A 79 1.136 -13.627 -2.229 1.00 10.00 H new ATOM 1134 N THR A 80 5.442 -6.787 -5.469 1.00 10.00 N ATOM 1135 CA THR A 80 5.700 -5.448 -5.970 1.00 10.00 C ATOM 1136 C THR A 80 4.406 -4.814 -6.484 1.00 10.00 C ATOM 1137 O THR A 80 3.556 -5.500 -7.049 1.00 10.00 O ATOM 1138 CB THR A 80 6.795 -5.545 -7.034 1.00 10.00 C ATOM 1139 OG1 THR A 80 7.861 -6.221 -6.376 1.00 10.00 O ATOM 1140 CG2 THR A 80 7.384 -4.180 -7.394 1.00 10.00 C ATOM 0 H THR A 80 4.722 -7.301 -5.976 1.00 10.00 H new ATOM 0 HA THR A 80 6.055 -4.789 -5.177 1.00 10.00 H new ATOM 0 HB THR A 80 6.388 -6.013 -7.931 1.00 10.00 H new ATOM 0 HG1 THR A 80 8.613 -6.327 -6.996 1.00 10.00 H new ATOM 0 HG21 THR A 80 8.156 -4.306 -8.153 1.00 10.00 H new ATOM 0 HG22 THR A 80 6.596 -3.534 -7.782 1.00 10.00 H new ATOM 0 HG23 THR A 80 7.820 -3.726 -6.504 1.00 10.00 H new ATOM 1148 N TYR A 81 4.299 -3.510 -6.271 1.00 10.00 N ATOM 1149 CA TYR A 81 3.123 -2.775 -6.706 1.00 10.00 C ATOM 1150 C TYR A 81 3.517 -1.457 -7.375 1.00 10.00 C ATOM 1151 O TYR A 81 4.364 -0.726 -6.864 1.00 10.00 O ATOM 1152 CB TYR A 81 2.323 -2.471 -5.438 1.00 10.00 C ATOM 1153 CG TYR A 81 3.132 -1.761 -4.349 1.00 10.00 C ATOM 1154 CD1 TYR A 81 3.267 -0.389 -4.375 1.00 10.00 C ATOM 1155 CD2 TYR A 81 3.723 -2.495 -3.341 1.00 10.00 C ATOM 1156 CE1 TYR A 81 4.028 0.278 -3.349 1.00 10.00 C ATOM 1157 CE2 TYR A 81 4.482 -1.828 -2.316 1.00 10.00 C ATOM 1158 CZ TYR A 81 4.597 -0.474 -2.370 1.00 10.00 C ATOM 1159 OH TYR A 81 5.315 0.156 -1.402 1.00 10.00 O ATOM 0 H TYR A 81 5.007 -2.944 -5.803 1.00 10.00 H new ATOM 0 HA TYR A 81 2.553 -3.357 -7.430 1.00 10.00 H new ATOM 0 HB2 TYR A 81 1.465 -1.852 -5.701 1.00 10.00 H new ATOM 0 HB3 TYR A 81 1.931 -3.405 -5.035 1.00 10.00 H new ATOM 0 HD1 TYR A 81 2.803 0.185 -5.163 1.00 10.00 H new ATOM 0 HD2 TYR A 81 3.616 -3.570 -3.321 1.00 10.00 H new ATOM 0 HE1 TYR A 81 4.144 1.352 -3.358 1.00 10.00 H new ATOM 0 HE2 TYR A 81 4.950 -2.390 -1.522 1.00 10.00 H new ATOM 0 HH TYR A 81 5.662 -0.506 -0.769 1.00 10.00 H new ATOM 1169 N TYR A 82 2.885 -1.194 -8.510 1.00 10.00 N ATOM 1170 CA TYR A 82 3.158 0.022 -9.255 1.00 10.00 C ATOM 1171 C TYR A 82 1.904 0.891 -9.368 1.00 10.00 C ATOM 1172 O TYR A 82 0.831 0.395 -9.712 1.00 10.00 O ATOM 1173 CB TYR A 82 3.582 -0.426 -10.656 1.00 10.00 C ATOM 1174 CG TYR A 82 2.528 -1.261 -11.386 1.00 10.00 C ATOM 1175 CD1 TYR A 82 2.430 -2.616 -11.142 1.00 10.00 C ATOM 1176 CD2 TYR A 82 1.676 -0.659 -12.289 1.00 10.00 C ATOM 1177 CE1 TYR A 82 1.438 -3.402 -11.829 1.00 10.00 C ATOM 1178 CE2 TYR A 82 0.685 -1.444 -12.977 1.00 10.00 C ATOM 1179 CZ TYR A 82 0.615 -2.776 -12.713 1.00 10.00 C ATOM 1180 OH TYR A 82 -0.321 -3.518 -13.362 1.00 10.00 O ATOM 0 H TYR A 82 2.184 -1.804 -8.931 1.00 10.00 H new ATOM 0 HA TYR A 82 3.926 0.613 -8.755 1.00 10.00 H new ATOM 0 HB2 TYR A 82 3.811 0.456 -11.255 1.00 10.00 H new ATOM 0 HB3 TYR A 82 4.501 -1.007 -10.578 1.00 10.00 H new ATOM 0 HD1 TYR A 82 3.098 -3.087 -10.436 1.00 10.00 H new ATOM 0 HD2 TYR A 82 1.753 0.401 -12.480 1.00 10.00 H new ATOM 0 HE1 TYR A 82 1.350 -4.463 -11.647 1.00 10.00 H new ATOM 0 HE2 TYR A 82 0.012 -0.986 -13.687 1.00 10.00 H new ATOM 0 HH TYR A 82 -0.838 -2.940 -13.961 1.00 10.00 H new ATOM 1190 N CYS A 83 2.081 2.170 -9.072 1.00 10.00 N ATOM 1191 CA CYS A 83 0.975 3.112 -9.136 1.00 10.00 C ATOM 1192 C CYS A 83 1.120 3.936 -10.417 1.00 10.00 C ATOM 1193 O CYS A 83 1.687 5.027 -10.396 1.00 10.00 O ATOM 1194 CB CYS A 83 0.913 3.997 -7.891 1.00 10.00 C ATOM 1195 SG CYS A 83 -0.751 4.742 -7.733 1.00 10.00 S ATOM 0 H CYS A 83 2.972 2.576 -8.787 1.00 10.00 H new ATOM 0 HA CYS A 83 0.031 2.568 -9.161 1.00 10.00 H new ATOM 0 HB2 CYS A 83 1.142 3.407 -7.004 1.00 10.00 H new ATOM 0 HB3 CYS A 83 1.667 4.782 -7.955 1.00 10.00 H new ATOM 1200 N GLU A 84 0.598 3.382 -11.502 1.00 10.00 N ATOM 1201 CA GLU A 84 0.662 4.052 -12.789 1.00 10.00 C ATOM 1202 C GLU A 84 -0.446 5.102 -12.896 1.00 10.00 C ATOM 1203 O GLU A 84 -0.171 6.280 -13.122 1.00 10.00 O ATOM 1204 CB GLU A 84 0.576 3.045 -13.937 1.00 10.00 C ATOM 1205 CG GLU A 84 1.905 2.958 -14.690 1.00 10.00 C ATOM 1206 CD GLU A 84 2.209 4.271 -15.418 1.00 10.00 C ATOM 1207 OE1 GLU A 84 1.231 4.944 -15.808 1.00 10.00 O ATOM 1208 OE2 GLU A 84 3.413 4.570 -15.569 1.00 10.00 O ATOM 0 H GLU A 84 0.129 2.476 -11.516 1.00 10.00 H new ATOM 0 HA GLU A 84 1.624 4.558 -12.866 1.00 10.00 H new ATOM 0 HB2 GLU A 84 0.311 2.063 -13.545 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -0.217 3.339 -14.625 1.00 10.00 H new ATOM 0 HG2 GLU A 84 2.709 2.731 -13.990 1.00 10.00 H new ATOM 0 HG3 GLU A 84 1.867 2.140 -15.409 1.00 10.00 H new ATOM 1215 N PRO A 85 -1.708 4.625 -12.726 1.00 10.00 N ATOM 1216 CA PRO A 85 -2.859 5.509 -12.802 1.00 10.00 C ATOM 1217 C PRO A 85 -2.977 6.366 -11.541 1.00 10.00 C ATOM 1218 O PRO A 85 -3.811 6.099 -10.679 1.00 10.00 O ATOM 1219 CB PRO A 85 -4.050 4.588 -13.006 1.00 10.00 C ATOM 1220 CG PRO A 85 -3.587 3.205 -12.574 1.00 10.00 C ATOM 1221 CD PRO A 85 -2.071 3.236 -12.457 1.00 10.00 C ATOM 0 HA PRO A 85 -2.783 6.228 -13.618 1.00 10.00 H new ATOM 0 HB2 PRO A 85 -4.904 4.917 -12.413 1.00 10.00 H new ATOM 0 HB3 PRO A 85 -4.368 4.585 -14.049 1.00 10.00 H new ATOM 0 HG2 PRO A 85 -4.038 2.932 -11.620 1.00 10.00 H new ATOM 0 HG3 PRO A 85 -3.899 2.454 -13.300 1.00 10.00 H new ATOM 0 HD2 PRO A 85 -1.744 2.926 -11.465 1.00 10.00 H new ATOM 0 HD3 PRO A 85 -1.604 2.559 -13.172 1.00 10.00 H new ATOM 1229 N HIS A 86 -2.126 7.380 -11.472 1.00 10.00 N ATOM 1230 CA HIS A 86 -2.123 8.279 -10.330 1.00 10.00 C ATOM 1231 C HIS A 86 -1.268 9.508 -10.645 1.00 10.00 C ATOM 1232 O HIS A 86 -0.325 9.817 -9.918 1.00 10.00 O ATOM 1233 CB HIS A 86 -1.667 7.549 -9.066 1.00 10.00 C ATOM 1234 CG HIS A 86 -0.168 7.426 -8.933 1.00 10.00 C ATOM 1235 ND1 HIS A 86 0.473 7.364 -7.708 1.00 10.00 N ATOM 1236 CD2 HIS A 86 0.806 7.354 -9.883 1.00 10.00 C ATOM 1237 CE1 HIS A 86 1.777 7.261 -7.925 1.00 10.00 C ATOM 1238 NE2 HIS A 86 1.981 7.255 -9.273 1.00 10.00 N ATOM 0 H HIS A 86 -1.434 7.599 -12.189 1.00 10.00 H new ATOM 0 HA HIS A 86 -3.137 8.626 -10.134 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -2.056 8.075 -8.195 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -2.105 6.551 -9.058 1.00 10.00 H new ATOM 0 HD2 HIS A 86 0.649 7.374 -10.951 1.00 10.00 H new ATOM 0 HE1 HIS A 86 2.543 7.194 -7.167 1.00 10.00 H new ATOM 0 HE2 HIS A 86 2.887 7.186 -9.736 1.00 10.00 H new ATOM 1246 N ARG A 87 -1.626 10.176 -11.733 1.00 10.00 N ATOM 1247 CA ARG A 87 -0.903 11.363 -12.154 1.00 10.00 C ATOM 1248 C ARG A 87 0.330 10.973 -12.969 1.00 10.00 C ATOM 1249 O ARG A 87 0.456 11.351 -14.132 1.00 10.00 O ATOM 1250 CB ARG A 87 -0.467 12.198 -10.949 1.00 10.00 C ATOM 1251 CG ARG A 87 -0.523 13.694 -11.267 1.00 10.00 C ATOM 1252 CD ARG A 87 0.765 14.396 -10.835 1.00 10.00 C ATOM 1253 NE ARG A 87 1.572 14.752 -12.022 1.00 10.00 N ATOM 1254 CZ ARG A 87 2.671 15.517 -11.982 1.00 10.00 C ATOM 1255 NH1 ARG A 87 3.102 16.011 -10.813 1.00 10.00 N ATOM 1256 NH2 ARG A 87 3.342 15.788 -13.110 1.00 10.00 N ATOM 0 H ARG A 87 -2.408 9.917 -12.335 1.00 10.00 H new ATOM 0 HA ARG A 87 -1.575 11.959 -12.771 1.00 10.00 H new ATOM 0 HB2 ARG A 87 -1.112 11.979 -10.098 1.00 10.00 H new ATOM 0 HB3 ARG A 87 0.547 11.922 -10.659 1.00 10.00 H new ATOM 0 HG2 ARG A 87 -0.677 13.836 -12.337 1.00 10.00 H new ATOM 0 HG3 ARG A 87 -1.375 14.146 -10.759 1.00 10.00 H new ATOM 0 HD2 ARG A 87 0.526 15.294 -10.266 1.00 10.00 H new ATOM 0 HD3 ARG A 87 1.340 13.745 -10.176 1.00 10.00 H new ATOM 0 HE ARG A 87 1.273 14.392 -12.928 1.00 10.00 H new ATOM 0 HH11 ARG A 87 2.593 15.804 -9.953 1.00 10.00 H new ATOM 0 HH12 ARG A 87 3.939 16.593 -10.783 1.00 10.00 H new ATOM 0 HH21 ARG A 87 3.016 15.412 -14.000 1.00 10.00 H new ATOM 0 HH22 ARG A 87 4.179 16.371 -13.078 1.00 10.00 H new ATOM 1270 N GLY A 88 1.210 10.219 -12.327 1.00 10.00 N ATOM 1271 CA GLY A 88 2.430 9.773 -12.978 1.00 10.00 C ATOM 1272 C GLY A 88 3.632 10.600 -12.517 1.00 10.00 C ATOM 1273 O GLY A 88 3.635 11.824 -12.646 1.00 10.00 O ATOM 0 H GLY A 88 1.102 9.906 -11.362 1.00 10.00 H new ATOM 0 HA2 GLY A 88 2.601 8.720 -12.755 1.00 10.00 H new ATOM 0 HA3 GLY A 88 2.320 9.856 -14.059 1.00 10.00 H new ATOM 1277 N ALA A 89 4.625 9.899 -11.988 1.00 10.00 N ATOM 1278 CA ALA A 89 5.830 10.554 -11.507 1.00 10.00 C ATOM 1279 C ALA A 89 6.922 9.505 -11.288 1.00 10.00 C ATOM 1280 O ALA A 89 8.073 9.713 -11.669 1.00 10.00 O ATOM 1281 CB ALA A 89 5.511 11.338 -10.233 1.00 10.00 C ATOM 0 H ALA A 89 4.620 8.885 -11.882 1.00 10.00 H new ATOM 0 HA ALA A 89 6.200 11.267 -12.244 1.00 10.00 H new ATOM 0 HB1 ALA A 89 6.415 11.829 -9.872 1.00 10.00 H new ATOM 0 HB2 ALA A 89 4.751 12.089 -10.449 1.00 10.00 H new ATOM 0 HB3 ALA A 89 5.140 10.655 -9.469 1.00 10.00 H new ATOM 1287 N GLY A 90 6.522 8.400 -10.677 1.00 10.00 N ATOM 1288 CA GLY A 90 7.453 7.317 -10.402 1.00 10.00 C ATOM 1289 C GLY A 90 7.266 6.781 -8.982 1.00 10.00 C ATOM 1290 O GLY A 90 8.044 7.105 -8.085 1.00 10.00 O ATOM 0 H GLY A 90 5.566 8.230 -10.364 1.00 10.00 H new ATOM 0 HA2 GLY A 90 7.303 6.512 -11.121 1.00 10.00 H new ATOM 0 HA3 GLY A 90 8.476 7.671 -10.529 1.00 10.00 H new ATOM 1294 N MET A 91 6.233 5.968 -8.821 1.00 10.00 N ATOM 1295 CA MET A 91 5.934 5.383 -7.526 1.00 10.00 C ATOM 1296 C MET A 91 5.828 3.859 -7.623 1.00 10.00 C ATOM 1297 O MET A 91 5.043 3.338 -8.412 1.00 10.00 O ATOM 1298 CB MET A 91 4.616 5.954 -7.000 1.00 10.00 C ATOM 1299 CG MET A 91 4.247 5.327 -5.653 1.00 10.00 C ATOM 1300 SD MET A 91 2.472 5.188 -5.510 1.00 10.00 S ATOM 1301 CE MET A 91 2.355 4.308 -3.962 1.00 10.00 C ATOM 0 H MET A 91 5.592 5.700 -9.568 1.00 10.00 H new ATOM 0 HA MET A 91 6.746 5.629 -6.841 1.00 10.00 H new ATOM 0 HB2 MET A 91 4.701 7.035 -6.891 1.00 10.00 H new ATOM 0 HB3 MET A 91 3.821 5.768 -7.722 1.00 10.00 H new ATOM 0 HG2 MET A 91 4.706 4.342 -5.563 1.00 10.00 H new ATOM 0 HG3 MET A 91 4.639 5.937 -4.839 1.00 10.00 H new ATOM 0 HE1 MET A 91 1.306 4.136 -3.719 1.00 10.00 H new ATOM 0 HE2 MET A 91 2.869 3.351 -4.048 1.00 10.00 H new ATOM 0 HE3 MET A 91 2.818 4.899 -3.172 1.00 10.00 H new ATOM 1311 N VAL A 92 6.632 3.190 -6.810 1.00 10.00 N ATOM 1312 CA VAL A 92 6.639 1.737 -6.795 1.00 10.00 C ATOM 1313 C VAL A 92 6.794 1.248 -5.354 1.00 10.00 C ATOM 1314 O VAL A 92 6.406 1.940 -4.415 1.00 10.00 O ATOM 1315 CB VAL A 92 7.733 1.209 -7.727 1.00 10.00 C ATOM 1316 CG1 VAL A 92 7.609 1.824 -9.122 1.00 10.00 C ATOM 1317 CG2 VAL A 92 9.122 1.460 -7.139 1.00 10.00 C ATOM 0 H VAL A 92 7.283 3.627 -6.157 1.00 10.00 H new ATOM 0 HA VAL A 92 5.694 1.346 -7.172 1.00 10.00 H new ATOM 0 HB VAL A 92 7.600 0.131 -7.823 1.00 10.00 H new ATOM 0 HG11 VAL A 92 8.398 1.432 -9.764 1.00 10.00 H new ATOM 0 HG12 VAL A 92 6.637 1.571 -9.546 1.00 10.00 H new ATOM 0 HG13 VAL A 92 7.703 2.908 -9.052 1.00 10.00 H new ATOM 0 HG21 VAL A 92 9.881 1.075 -7.821 1.00 10.00 H new ATOM 0 HG22 VAL A 92 9.270 2.531 -6.999 1.00 10.00 H new ATOM 0 HG23 VAL A 92 9.207 0.953 -6.178 1.00 10.00 H new ATOM 1327 N GLY A 93 7.360 0.057 -5.225 1.00 10.00 N ATOM 1328 CA GLY A 93 7.572 -0.534 -3.914 1.00 10.00 C ATOM 1329 C GLY A 93 7.503 -2.061 -3.983 1.00 10.00 C ATOM 1330 O GLY A 93 6.767 -2.616 -4.798 1.00 10.00 O ATOM 0 H GLY A 93 7.679 -0.515 -6.007 1.00 10.00 H new ATOM 0 HA2 GLY A 93 8.543 -0.228 -3.526 1.00 10.00 H new ATOM 0 HA3 GLY A 93 6.819 -0.163 -3.218 1.00 10.00 H new ATOM 1334 N LYS A 94 8.280 -2.696 -3.119 1.00 10.00 N ATOM 1335 CA LYS A 94 8.317 -4.147 -3.071 1.00 10.00 C ATOM 1336 C LYS A 94 8.309 -4.606 -1.611 1.00 10.00 C ATOM 1337 O LYS A 94 8.888 -3.950 -0.748 1.00 10.00 O ATOM 1338 CB LYS A 94 9.503 -4.680 -3.876 1.00 10.00 C ATOM 1339 CG LYS A 94 10.829 -4.314 -3.206 1.00 10.00 C ATOM 1340 CD LYS A 94 11.926 -5.315 -3.578 1.00 10.00 C ATOM 1341 CE LYS A 94 13.189 -5.076 -2.749 1.00 10.00 C ATOM 1342 NZ LYS A 94 14.395 -5.168 -3.603 1.00 10.00 N ATOM 0 H LYS A 94 8.890 -2.232 -2.446 1.00 10.00 H new ATOM 0 HA LYS A 94 7.428 -4.566 -3.542 1.00 10.00 H new ATOM 0 HB2 LYS A 94 9.426 -5.763 -3.970 1.00 10.00 H new ATOM 0 HB3 LYS A 94 9.476 -4.270 -4.885 1.00 10.00 H new ATOM 0 HG2 LYS A 94 11.129 -3.311 -3.509 1.00 10.00 H new ATOM 0 HG3 LYS A 94 10.701 -4.295 -2.124 1.00 10.00 H new ATOM 0 HD2 LYS A 94 11.567 -6.331 -3.415 1.00 10.00 H new ATOM 0 HD3 LYS A 94 12.160 -5.226 -4.639 1.00 10.00 H new ATOM 0 HE2 LYS A 94 13.143 -4.093 -2.280 1.00 10.00 H new ATOM 0 HE3 LYS A 94 13.248 -5.810 -1.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 94 15.243 -5.003 -3.025 1.00 10.00 H new ATOM 0 HZ2 LYS A 94 14.446 -6.115 -4.031 1.00 10.00 H new ATOM 0 HZ3 LYS A 94 14.344 -4.451 -4.354 1.00 10.00 H new ATOM 1356 N VAL A 95 7.645 -5.730 -1.381 1.00 10.00 N ATOM 1357 CA VAL A 95 7.555 -6.284 -0.041 1.00 10.00 C ATOM 1358 C VAL A 95 8.303 -7.618 0.006 1.00 10.00 C ATOM 1359 O VAL A 95 8.496 -8.263 -1.024 1.00 10.00 O ATOM 1360 CB VAL A 95 6.088 -6.405 0.377 1.00 10.00 C ATOM 1361 CG1 VAL A 95 5.962 -6.577 1.892 1.00 10.00 C ATOM 1362 CG2 VAL A 95 5.278 -5.202 -0.109 1.00 10.00 C ATOM 0 H VAL A 95 7.165 -6.271 -2.100 1.00 10.00 H new ATOM 0 HA VAL A 95 8.031 -5.620 0.680 1.00 10.00 H new ATOM 0 HB VAL A 95 5.677 -7.297 -0.096 1.00 10.00 H new ATOM 0 HG11 VAL A 95 4.909 -6.661 2.162 1.00 10.00 H new ATOM 0 HG12 VAL A 95 6.489 -7.480 2.201 1.00 10.00 H new ATOM 0 HG13 VAL A 95 6.398 -5.713 2.394 1.00 10.00 H new ATOM 0 HG21 VAL A 95 4.239 -5.313 0.202 1.00 10.00 H new ATOM 0 HG22 VAL A 95 5.689 -4.289 0.321 1.00 10.00 H new ATOM 0 HG23 VAL A 95 5.328 -5.145 -1.196 1.00 10.00 H new ATOM 1372 N VAL A 96 8.702 -7.994 1.211 1.00 10.00 N ATOM 1373 CA VAL A 96 9.424 -9.239 1.406 1.00 10.00 C ATOM 1374 C VAL A 96 8.750 -10.046 2.520 1.00 10.00 C ATOM 1375 O VAL A 96 8.551 -9.543 3.623 1.00 10.00 O ATOM 1376 CB VAL A 96 10.900 -8.950 1.689 1.00 10.00 C ATOM 1377 CG1 VAL A 96 11.668 -10.244 1.966 1.00 10.00 C ATOM 1378 CG2 VAL A 96 11.535 -8.171 0.538 1.00 10.00 C ATOM 0 H VAL A 96 8.539 -7.458 2.063 1.00 10.00 H new ATOM 0 HA VAL A 96 9.392 -9.844 0.500 1.00 10.00 H new ATOM 0 HB VAL A 96 10.955 -8.330 2.584 1.00 10.00 H new ATOM 0 HG11 VAL A 96 12.714 -10.011 2.164 1.00 10.00 H new ATOM 0 HG12 VAL A 96 11.237 -10.744 2.833 1.00 10.00 H new ATOM 0 HG13 VAL A 96 11.600 -10.900 1.098 1.00 10.00 H new ATOM 0 HG21 VAL A 96 12.584 -7.978 0.764 1.00 10.00 H new ATOM 0 HG22 VAL A 96 11.463 -8.755 -0.380 1.00 10.00 H new ATOM 0 HG23 VAL A 96 11.012 -7.224 0.408 1.00 10.00 H new ATOM 1388 N VAL A 97 8.416 -11.285 2.189 1.00 10.00 N ATOM 1389 CA VAL A 97 7.767 -12.166 3.144 1.00 10.00 C ATOM 1390 C VAL A 97 8.675 -13.367 3.422 1.00 10.00 C ATOM 1391 O VAL A 97 9.027 -14.108 2.506 1.00 10.00 O ATOM 1392 CB VAL A 97 6.385 -12.569 2.632 1.00 10.00 C ATOM 1393 CG1 VAL A 97 5.501 -13.078 3.774 1.00 10.00 C ATOM 1394 CG2 VAL A 97 5.713 -11.408 1.895 1.00 10.00 C ATOM 0 H VAL A 97 8.583 -11.699 1.272 1.00 10.00 H new ATOM 0 HA VAL A 97 7.609 -11.650 4.091 1.00 10.00 H new ATOM 0 HB VAL A 97 6.517 -13.386 1.922 1.00 10.00 H new ATOM 0 HG11 VAL A 97 4.524 -13.358 3.381 1.00 10.00 H new ATOM 0 HG12 VAL A 97 5.968 -13.947 4.236 1.00 10.00 H new ATOM 0 HG13 VAL A 97 5.381 -12.292 4.519 1.00 10.00 H new ATOM 0 HG21 VAL A 97 4.731 -11.722 1.541 1.00 10.00 H new ATOM 0 HG22 VAL A 97 5.601 -10.562 2.574 1.00 10.00 H new ATOM 0 HG23 VAL A 97 6.328 -11.112 1.045 1.00 10.00 H new ATOM 1404 N ASP A 98 9.029 -13.520 4.689 1.00 10.00 N ATOM 1405 CA ASP A 98 9.889 -14.617 5.099 1.00 10.00 C ATOM 1406 C ASP A 98 9.186 -15.431 6.187 1.00 10.00 C ATOM 1407 O ASP A 98 8.842 -14.899 7.242 1.00 10.00 O ATOM 1408 CB ASP A 98 11.208 -14.098 5.675 1.00 10.00 C ATOM 1409 CG ASP A 98 12.085 -15.160 6.340 1.00 10.00 C ATOM 1410 OD1 ASP A 98 12.559 -16.050 5.601 1.00 10.00 O ATOM 1411 OD2 ASP A 98 12.264 -15.057 7.573 1.00 10.00 O ATOM 0 H ASP A 98 8.736 -12.902 5.446 1.00 10.00 H new ATOM 0 HA ASP A 98 10.095 -15.230 4.221 1.00 10.00 H new ATOM 0 HB2 ASP A 98 11.777 -13.628 4.873 1.00 10.00 H new ATOM 0 HB3 ASP A 98 10.987 -13.321 6.407 1.00 10.00 H new TER 1416 ASP A 98 HETATM 1417 CU CU A 99 -0.436 6.239 -5.868 1.00 10.00 CU