USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 433 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 Single : A 1 VAL N :NH3+ 153:sc= -2.15! (180deg=-3.29!) USER MOD Single : A 5 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.2) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -48:sc=0.000547 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00988 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 19 THR OG1 : rot -10:sc= 0.203! USER MOD Single : A 20 SER OG : rot 180:sc= 0.019 USER MOD Single : A 26 CYS SG : rot 180:sc=-0.00159 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 24:sc= 1.07 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.4!) USER MOD Single : A 39 HIS : no HD1:sc= -0.425 K(o=-0.43,f=-3.2) USER MOD Single : A 40 CYS SG : rot 61:sc= 0.24 USER MOD Single : A 43 GLN : amide:sc= -0.0122 K(o=-0.012,f=-0.75) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 76:sc= 0.182 USER MOD Single : A 52 GLN : amide:sc= -0.3 K(o=-0.3,f=-3.1!) USER MOD Single : A 54 GLN : amide:sc= -0.457 K(o=-0.46,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -0.133 K(o=-0.13,f=-1.1) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.35) USER MOD Single : A 65 HIS : no HE2:sc= -0.826 K(o=-0.83,f=-2.8) USER MOD Single : A 66 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.39) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 14.900 3.409 -9.721 1.00 0.00 N ATOM 2 CA VAL A 1 15.023 2.636 -8.457 1.00 0.00 C ATOM 3 C VAL A 1 16.334 2.957 -7.738 1.00 0.00 C ATOM 4 O VAL A 1 17.212 2.101 -7.620 1.00 0.00 O ATOM 5 CB VAL A 1 14.956 1.118 -8.720 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.516 0.632 -8.693 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.615 0.773 -10.047 1.00 0.00 C ATOM 0 H1 VAL A 1 14.298 2.887 -10.390 1.00 0.00 H new ATOM 0 H2 VAL A 1 14.473 4.336 -9.521 1.00 0.00 H new ATOM 0 H3 VAL A 1 15.843 3.545 -10.138 1.00 0.00 H new ATOM 0 HA VAL A 1 14.184 2.928 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 1 15.503 0.610 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 1 13.491 -0.441 -8.881 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.080 0.840 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 1 12.943 1.149 -9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.557 -0.303 -10.213 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.101 1.293 -10.855 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.660 1.081 -10.025 1.00 0.00 H new ATOM 17 N PRO A 2 16.486 4.201 -7.247 1.00 0.00 N ATOM 18 CA PRO A 2 17.692 4.628 -6.542 1.00 0.00 C ATOM 19 C PRO A 2 17.644 4.301 -5.052 1.00 0.00 C ATOM 20 O PRO A 2 16.928 4.949 -4.287 1.00 0.00 O ATOM 21 CB PRO A 2 17.685 6.137 -6.762 1.00 0.00 C ATOM 22 CG PRO A 2 16.239 6.506 -6.827 1.00 0.00 C ATOM 23 CD PRO A 2 15.498 5.292 -7.341 1.00 0.00 C ATOM 0 HA PRO A 2 18.588 4.126 -6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.190 6.658 -5.948 1.00 0.00 H new ATOM 0 HB3 PRO A 2 18.204 6.405 -7.683 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.870 6.796 -5.843 1.00 0.00 H new ATOM 0 HG3 PRO A 2 16.088 7.359 -7.488 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.613 5.081 -6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.160 5.436 -8.367 1.00 0.00 H new ATOM 31 N CYS A 3 18.410 3.292 -4.647 1.00 0.00 N ATOM 32 CA CYS A 3 18.453 2.882 -3.247 1.00 0.00 C ATOM 33 C CYS A 3 19.887 2.609 -2.802 1.00 0.00 C ATOM 34 O CYS A 3 20.286 1.456 -2.629 1.00 0.00 O ATOM 35 CB CYS A 3 17.593 1.635 -3.030 1.00 0.00 C ATOM 36 SG CYS A 3 15.799 1.934 -3.156 1.00 0.00 S ATOM 0 H CYS A 3 19.008 2.745 -5.266 1.00 0.00 H new ATOM 0 HA CYS A 3 18.054 3.698 -2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 3 17.877 0.880 -3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.813 1.222 -2.045 1.00 0.00 H new ATOM 41 N ASP A 4 20.654 3.680 -2.612 1.00 0.00 N ATOM 42 CA ASP A 4 22.046 3.566 -2.180 1.00 0.00 C ATOM 43 C ASP A 4 22.857 2.702 -3.143 1.00 0.00 C ATOM 44 O ASP A 4 22.450 2.476 -4.283 1.00 0.00 O ATOM 45 CB ASP A 4 22.116 2.983 -0.766 1.00 0.00 C ATOM 46 CG ASP A 4 21.058 3.564 0.151 1.00 0.00 C ATOM 47 OD1 ASP A 4 19.891 3.130 0.060 1.00 0.00 O ATOM 48 OD2 ASP A 4 21.397 4.452 0.961 1.00 0.00 O ATOM 0 H ASP A 4 20.335 4.639 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 4 22.478 4.567 -2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 4 21.996 1.901 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 4 23.103 3.175 -0.345 1.00 0.00 H new ATOM 53 N ASN A 5 24.009 2.226 -2.676 1.00 0.00 N ATOM 54 CA ASN A 5 24.883 1.391 -3.493 1.00 0.00 C ATOM 55 C ASN A 5 25.008 -0.010 -2.901 1.00 0.00 C ATOM 56 O ASN A 5 24.769 -0.213 -1.709 1.00 0.00 O ATOM 57 CB ASN A 5 26.266 2.035 -3.614 1.00 0.00 C ATOM 58 CG ASN A 5 27.228 1.200 -4.438 1.00 0.00 C ATOM 59 OD1 ASN A 5 26.892 0.739 -5.528 1.00 0.00 O ATOM 60 ND2 ASN A 5 28.434 1.001 -3.917 1.00 0.00 N ATOM 0 H ASN A 5 24.358 2.405 -1.735 1.00 0.00 H new ATOM 0 HA ASN A 5 24.441 1.305 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.165 3.021 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.682 2.184 -2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 5 29.124 0.447 -4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 5 28.670 1.402 -3.009 1.00 0.00 H new ATOM 67 N VAL A 6 25.385 -0.973 -3.745 1.00 0.00 N ATOM 68 CA VAL A 6 25.550 -2.365 -3.324 1.00 0.00 C ATOM 69 C VAL A 6 24.206 -3.017 -2.995 1.00 0.00 C ATOM 70 O VAL A 6 24.123 -4.232 -2.813 1.00 0.00 O ATOM 71 CB VAL A 6 26.490 -2.487 -2.105 1.00 0.00 C ATOM 72 CG1 VAL A 6 26.864 -3.940 -1.856 1.00 0.00 C ATOM 73 CG2 VAL A 6 27.737 -1.639 -2.306 1.00 0.00 C ATOM 0 H VAL A 6 25.583 -0.811 -4.732 1.00 0.00 H new ATOM 0 HA VAL A 6 26.000 -2.889 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 6 25.961 -2.117 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.527 -4.002 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 6 25.962 -4.520 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.372 -4.340 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 6 28.388 -1.737 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 6 28.267 -1.977 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 6 27.451 -0.594 -2.429 1.00 0.00 H new ATOM 83 N SER A 7 23.154 -2.207 -2.925 1.00 0.00 N ATOM 84 CA SER A 7 21.820 -2.713 -2.624 1.00 0.00 C ATOM 85 C SER A 7 20.841 -2.353 -3.736 1.00 0.00 C ATOM 86 O SER A 7 20.440 -1.197 -3.873 1.00 0.00 O ATOM 87 CB SER A 7 21.327 -2.150 -1.289 1.00 0.00 C ATOM 88 OG SER A 7 22.303 -1.310 -0.698 1.00 0.00 O ATOM 0 H SER A 7 23.200 -1.199 -3.072 1.00 0.00 H new ATOM 0 HA SER A 7 21.876 -3.799 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.406 -1.588 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 7 21.089 -2.969 -0.611 1.00 0.00 H new ATOM 0 HG SER A 7 21.963 -0.962 0.153 1.00 0.00 H new ATOM 94 N SER A 8 20.461 -3.350 -4.529 1.00 0.00 N ATOM 95 CA SER A 8 19.531 -3.138 -5.631 1.00 0.00 C ATOM 96 C SER A 8 18.233 -3.905 -5.408 1.00 0.00 C ATOM 97 O SER A 8 18.224 -4.963 -4.779 1.00 0.00 O ATOM 98 CB SER A 8 20.168 -3.567 -6.954 1.00 0.00 C ATOM 99 OG SER A 8 19.970 -4.951 -7.191 1.00 0.00 O ATOM 0 H SER A 8 20.783 -4.313 -4.428 1.00 0.00 H new ATOM 0 HA SER A 8 19.299 -2.074 -5.674 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.738 -2.990 -7.772 1.00 0.00 H new ATOM 0 HB3 SER A 8 21.235 -3.347 -6.935 1.00 0.00 H new ATOM 0 HG SER A 8 20.385 -5.200 -8.043 1.00 0.00 H new ATOM 105 N CYS A 9 17.138 -3.364 -5.933 1.00 0.00 N ATOM 106 CA CYS A 9 15.828 -3.993 -5.800 1.00 0.00 C ATOM 107 C CYS A 9 14.950 -3.662 -7.005 1.00 0.00 C ATOM 108 O CYS A 9 15.151 -2.642 -7.665 1.00 0.00 O ATOM 109 CB CYS A 9 15.146 -3.533 -4.510 1.00 0.00 C ATOM 110 SG CYS A 9 14.584 -4.898 -3.442 1.00 0.00 S ATOM 0 H CYS A 9 17.132 -2.488 -6.456 1.00 0.00 H new ATOM 0 HA CYS A 9 15.968 -5.073 -5.758 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.839 -2.907 -3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.290 -2.909 -4.766 1.00 0.00 H new ATOM 115 N PRO A 10 13.961 -4.522 -7.317 1.00 0.00 N ATOM 116 CA PRO A 10 13.065 -4.309 -8.450 1.00 0.00 C ATOM 117 C PRO A 10 11.898 -3.390 -8.105 1.00 0.00 C ATOM 118 O PRO A 10 11.797 -2.892 -6.984 1.00 0.00 O ATOM 119 CB PRO A 10 12.566 -5.720 -8.750 1.00 0.00 C ATOM 120 CG PRO A 10 12.547 -6.402 -7.423 1.00 0.00 C ATOM 121 CD PRO A 10 13.644 -5.773 -6.597 1.00 0.00 C ATOM 0 HA PRO A 10 13.563 -3.822 -9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.574 -5.702 -9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.225 -6.233 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.578 -6.279 -6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.713 -7.473 -7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.312 -5.574 -5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.515 -6.425 -6.527 1.00 0.00 H new ATOM 129 N SER A 11 11.023 -3.163 -9.080 1.00 0.00 N ATOM 130 CA SER A 11 9.864 -2.298 -8.885 1.00 0.00 C ATOM 131 C SER A 11 8.723 -3.055 -8.212 1.00 0.00 C ATOM 132 O SER A 11 7.610 -2.540 -8.093 1.00 0.00 O ATOM 133 CB SER A 11 9.395 -1.731 -10.225 1.00 0.00 C ATOM 134 OG SER A 11 8.748 -0.482 -10.054 1.00 0.00 O ATOM 0 H SER A 11 11.095 -3.566 -10.014 1.00 0.00 H new ATOM 0 HA SER A 11 10.162 -1.476 -8.234 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.249 -1.613 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.713 -2.435 -10.702 1.00 0.00 H new ATOM 0 HG SER A 11 8.088 -0.552 -9.333 1.00 0.00 H new ATOM 140 N SER A 12 9.005 -4.278 -7.778 1.00 0.00 N ATOM 141 CA SER A 12 8.001 -5.107 -7.120 1.00 0.00 C ATOM 142 C SER A 12 8.128 -5.020 -5.603 1.00 0.00 C ATOM 143 O SER A 12 7.407 -5.701 -4.872 1.00 0.00 O ATOM 144 CB SER A 12 8.137 -6.562 -7.572 1.00 0.00 C ATOM 145 OG SER A 12 8.127 -6.659 -8.986 1.00 0.00 O ATOM 0 H SER A 12 9.921 -4.718 -7.870 1.00 0.00 H new ATOM 0 HA SER A 12 7.017 -4.734 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.064 -6.982 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.320 -7.153 -7.158 1.00 0.00 H new ATOM 0 HG SER A 12 8.217 -7.598 -9.250 1.00 0.00 H new ATOM 151 N ASP A 13 9.048 -4.182 -5.134 1.00 0.00 N ATOM 152 CA ASP A 13 9.266 -4.013 -3.702 1.00 0.00 C ATOM 153 C ASP A 13 9.853 -2.638 -3.396 1.00 0.00 C ATOM 154 O ASP A 13 9.999 -1.802 -4.288 1.00 0.00 O ATOM 155 CB ASP A 13 10.202 -5.103 -3.178 1.00 0.00 C ATOM 156 CG ASP A 13 11.332 -5.394 -4.142 1.00 0.00 C ATOM 157 OD1 ASP A 13 11.861 -4.431 -4.735 1.00 0.00 O ATOM 158 OD2 ASP A 13 11.685 -6.581 -4.306 1.00 0.00 O ATOM 0 H ASP A 13 9.653 -3.611 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 13 8.301 -4.095 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.615 -4.795 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.632 -6.015 -3.001 1.00 0.00 H new ATOM 163 N THR A 14 10.189 -2.415 -2.129 1.00 0.00 N ATOM 164 CA THR A 14 10.764 -1.146 -1.699 1.00 0.00 C ATOM 165 C THR A 14 11.997 -1.371 -0.830 1.00 0.00 C ATOM 166 O THR A 14 12.090 -2.370 -0.116 1.00 0.00 O ATOM 167 CB THR A 14 9.743 -0.297 -0.918 1.00 0.00 C ATOM 168 OG1 THR A 14 10.390 0.849 -0.352 1.00 0.00 O ATOM 169 CG2 THR A 14 9.089 -1.114 0.188 1.00 0.00 C ATOM 0 H THR A 14 10.072 -3.099 -1.381 1.00 0.00 H new ATOM 0 HA THR A 14 11.051 -0.607 -2.602 1.00 0.00 H new ATOM 0 HB THR A 14 8.969 0.028 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.734 1.385 0.141 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.372 -0.492 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.572 -1.969 -0.248 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.853 -1.467 0.880 1.00 0.00 H new ATOM 177 N CYS A 15 12.941 -0.438 -0.898 1.00 0.00 N ATOM 178 CA CYS A 15 14.173 -0.532 -0.122 1.00 0.00 C ATOM 179 C CYS A 15 14.118 0.367 1.111 1.00 0.00 C ATOM 180 O CYS A 15 14.136 1.592 0.998 1.00 0.00 O ATOM 181 CB CYS A 15 15.376 -0.153 -0.988 1.00 0.00 C ATOM 182 SG CYS A 15 14.973 0.125 -2.744 1.00 0.00 S ATOM 0 H CYS A 15 12.876 0.394 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 15 14.281 -1.564 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.831 0.751 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 15 16.123 -0.944 -0.919 1.00 0.00 H new ATOM 187 N CYS A 16 14.054 -0.253 2.286 1.00 0.00 N ATOM 188 CA CYS A 16 14.001 0.488 3.541 1.00 0.00 C ATOM 189 C CYS A 16 15.361 0.486 4.233 1.00 0.00 C ATOM 190 O CYS A 16 16.220 -0.343 3.930 1.00 0.00 O ATOM 191 CB CYS A 16 12.943 -0.112 4.468 1.00 0.00 C ATOM 192 SG CYS A 16 11.389 0.810 4.511 1.00 0.00 S ATOM 0 H CYS A 16 14.038 -1.267 2.395 1.00 0.00 H new ATOM 0 HA CYS A 16 13.731 1.519 3.313 1.00 0.00 H new ATOM 0 HB2 CYS A 16 12.737 -1.135 4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 16 13.349 -0.166 5.478 1.00 0.00 H new ATOM 0 HG CYS A 16 10.558 0.223 5.321 1.00 0.00 H new ATOM 198 N GLN A 17 15.551 1.421 5.159 1.00 0.00 N ATOM 199 CA GLN A 17 16.807 1.532 5.892 1.00 0.00 C ATOM 200 C GLN A 17 16.700 0.877 7.267 1.00 0.00 C ATOM 201 O GLN A 17 15.626 0.854 7.871 1.00 0.00 O ATOM 202 CB GLN A 17 17.202 3.003 6.041 1.00 0.00 C ATOM 203 CG GLN A 17 18.500 3.218 6.805 1.00 0.00 C ATOM 204 CD GLN A 17 18.915 4.674 6.852 1.00 0.00 C ATOM 205 OE1 GLN A 17 19.627 5.158 5.972 1.00 0.00 O ATOM 206 NE2 GLN A 17 18.471 5.383 7.884 1.00 0.00 N ATOM 0 H GLN A 17 14.849 2.114 5.420 1.00 0.00 H new ATOM 0 HA GLN A 17 17.578 1.010 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 17 17.298 3.446 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.399 3.535 6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 17 18.384 2.844 7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 17 19.293 2.633 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 17 17.883 4.941 8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 17 18.718 6.369 7.970 1.00 0.00 H new ATOM 215 N LEU A 18 17.818 0.350 7.757 1.00 0.00 N ATOM 216 CA LEU A 18 17.851 -0.302 9.062 1.00 0.00 C ATOM 217 C LEU A 18 18.809 0.421 10.005 1.00 0.00 C ATOM 218 O LEU A 18 19.733 1.105 9.563 1.00 0.00 O ATOM 219 CB LEU A 18 18.266 -1.768 8.917 1.00 0.00 C ATOM 220 CG LEU A 18 17.310 -2.633 8.093 1.00 0.00 C ATOM 221 CD1 LEU A 18 17.969 -3.955 7.725 1.00 0.00 C ATOM 222 CD2 LEU A 18 16.019 -2.874 8.860 1.00 0.00 C ATOM 0 H LEU A 18 18.714 0.362 7.270 1.00 0.00 H new ATOM 0 HA LEU A 18 16.848 -0.259 9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 18 19.254 -1.806 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.360 -2.203 9.912 1.00 0.00 H new ATOM 0 HG LEU A 18 17.070 -2.102 7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.274 -4.557 7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.867 -3.763 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.238 -4.493 8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.349 -3.491 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 18 16.242 -3.385 9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.539 -1.919 9.073 1.00 0.00 H new ATOM 234 N THR A 19 18.581 0.265 11.306 1.00 0.00 N ATOM 235 CA THR A 19 19.423 0.903 12.311 1.00 0.00 C ATOM 236 C THR A 19 20.803 0.258 12.366 1.00 0.00 C ATOM 237 O THR A 19 21.739 0.819 12.937 1.00 0.00 O ATOM 238 CB THR A 19 18.780 0.832 13.710 1.00 0.00 C ATOM 239 OG1 THR A 19 19.731 1.222 14.708 1.00 0.00 O ATOM 240 CG2 THR A 19 18.278 -0.573 14.004 1.00 0.00 C ATOM 0 H THR A 19 17.821 -0.297 11.688 1.00 0.00 H new ATOM 0 HA THR A 19 19.526 1.948 12.018 1.00 0.00 H new ATOM 0 HB THR A 19 17.932 1.516 13.730 1.00 0.00 H new ATOM 0 HG1 THR A 19 20.620 1.297 14.302 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.828 -0.598 14.997 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.533 -0.856 13.261 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.113 -1.273 13.966 1.00 0.00 H new ATOM 248 N SER A 20 20.923 -0.922 11.767 1.00 0.00 N ATOM 249 CA SER A 20 22.190 -1.644 11.746 1.00 0.00 C ATOM 250 C SER A 20 23.151 -1.027 10.733 1.00 0.00 C ATOM 251 O SER A 20 24.274 -1.501 10.562 1.00 0.00 O ATOM 252 CB SER A 20 21.955 -3.117 11.410 1.00 0.00 C ATOM 253 OG SER A 20 21.033 -3.258 10.344 1.00 0.00 O ATOM 0 H SER A 20 20.158 -1.399 11.290 1.00 0.00 H new ATOM 0 HA SER A 20 22.638 -1.571 12.737 1.00 0.00 H new ATOM 0 HB2 SER A 20 22.901 -3.587 11.141 1.00 0.00 H new ATOM 0 HB3 SER A 20 21.579 -3.638 12.291 1.00 0.00 H new ATOM 0 HG SER A 20 20.902 -4.209 10.148 1.00 0.00 H new ATOM 259 N GLY A 21 22.702 0.033 10.067 1.00 0.00 N ATOM 260 CA GLY A 21 23.535 0.697 9.082 1.00 0.00 C ATOM 261 C GLY A 21 23.432 0.059 7.711 1.00 0.00 C ATOM 262 O GLY A 21 24.071 0.508 6.760 1.00 0.00 O ATOM 0 H GLY A 21 21.777 0.443 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.246 1.746 9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.573 0.673 9.413 1.00 0.00 H new ATOM 266 N GLU A 22 22.621 -0.990 7.609 1.00 0.00 N ATOM 267 CA GLU A 22 22.433 -1.692 6.347 1.00 0.00 C ATOM 268 C GLU A 22 21.053 -1.398 5.767 1.00 0.00 C ATOM 269 O GLU A 22 20.193 -0.833 6.442 1.00 0.00 O ATOM 270 CB GLU A 22 22.606 -3.199 6.547 1.00 0.00 C ATOM 271 CG GLU A 22 24.038 -3.677 6.366 1.00 0.00 C ATOM 272 CD GLU A 22 24.749 -3.897 7.688 1.00 0.00 C ATOM 273 OE1 GLU A 22 24.203 -4.627 8.541 1.00 0.00 O ATOM 274 OE2 GLU A 22 25.852 -3.340 7.869 1.00 0.00 O ATOM 0 H GLU A 22 22.084 -1.372 8.387 1.00 0.00 H new ATOM 0 HA GLU A 22 23.187 -1.339 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 22 22.267 -3.465 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.964 -3.727 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.038 -4.607 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.590 -2.944 5.778 1.00 0.00 H new ATOM 281 N TRP A 23 20.849 -1.783 4.511 1.00 0.00 N ATOM 282 CA TRP A 23 19.574 -1.558 3.840 1.00 0.00 C ATOM 283 C TRP A 23 18.932 -2.879 3.431 1.00 0.00 C ATOM 284 O TRP A 23 19.625 -3.832 3.070 1.00 0.00 O ATOM 285 CB TRP A 23 19.774 -0.671 2.611 1.00 0.00 C ATOM 286 CG TRP A 23 19.898 0.784 2.945 1.00 0.00 C ATOM 287 CD1 TRP A 23 20.949 1.397 3.564 1.00 0.00 C ATOM 288 CD2 TRP A 23 18.933 1.809 2.683 1.00 0.00 C ATOM 289 NE1 TRP A 23 20.698 2.741 3.699 1.00 0.00 N ATOM 290 CE2 TRP A 23 19.467 3.018 3.166 1.00 0.00 C ATOM 291 CE3 TRP A 23 17.670 1.822 2.084 1.00 0.00 C ATOM 292 CZ2 TRP A 23 18.781 4.226 3.070 1.00 0.00 C ATOM 293 CZ3 TRP A 23 16.990 3.021 1.990 1.00 0.00 C ATOM 294 CH2 TRP A 23 17.546 4.209 2.480 1.00 0.00 C ATOM 0 H TRP A 23 21.550 -2.252 3.938 1.00 0.00 H new ATOM 0 HA TRP A 23 18.907 -1.055 4.539 1.00 0.00 H new ATOM 0 HB2 TRP A 23 20.671 -0.993 2.081 1.00 0.00 H new ATOM 0 HB3 TRP A 23 18.934 -0.810 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 23 21.847 0.898 3.899 1.00 0.00 H new ATOM 0 HE1 TRP A 23 21.326 3.422 4.126 1.00 0.00 H new ATOM 0 HE3 TRP A 23 17.234 0.911 1.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 19.208 5.143 3.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 16.013 3.042 1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 23 16.989 5.130 2.391 1.00 0.00 H new ATOM 305 N GLY A 24 17.605 -2.930 3.490 1.00 0.00 N ATOM 306 CA GLY A 24 16.892 -4.139 3.123 1.00 0.00 C ATOM 307 C GLY A 24 15.685 -3.857 2.249 1.00 0.00 C ATOM 308 O GLY A 24 15.327 -2.701 2.031 1.00 0.00 O ATOM 0 H GLY A 24 17.011 -2.155 3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.569 -4.811 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.570 -4.656 4.027 1.00 0.00 H new ATOM 312 N CYS A 25 15.057 -4.917 1.749 1.00 0.00 N ATOM 313 CA CYS A 25 13.884 -4.778 0.894 1.00 0.00 C ATOM 314 C CYS A 25 12.667 -5.444 1.528 1.00 0.00 C ATOM 315 O CYS A 25 12.742 -6.584 1.987 1.00 0.00 O ATOM 316 CB CYS A 25 14.155 -5.387 -0.482 1.00 0.00 C ATOM 317 SG CYS A 25 15.150 -4.326 -1.579 1.00 0.00 S ATOM 0 H CYS A 25 15.341 -5.881 1.921 1.00 0.00 H new ATOM 0 HA CYS A 25 13.674 -3.715 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.668 -6.340 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 25 13.203 -5.602 -0.967 1.00 0.00 H new ATOM 322 N CYS A 26 11.549 -4.725 1.549 1.00 0.00 N ATOM 323 CA CYS A 26 10.315 -5.247 2.128 1.00 0.00 C ATOM 324 C CYS A 26 9.117 -4.383 1.735 1.00 0.00 C ATOM 325 O CYS A 26 8.849 -3.361 2.366 1.00 0.00 O ATOM 326 CB CYS A 26 10.432 -5.313 3.653 1.00 0.00 C ATOM 327 SG CYS A 26 10.144 -6.958 4.345 1.00 0.00 S ATOM 0 H CYS A 26 11.472 -3.780 1.172 1.00 0.00 H new ATOM 0 HA CYS A 26 10.157 -6.252 1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 26 11.427 -4.977 3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.718 -4.616 4.092 1.00 0.00 H new ATOM 0 HG CYS A 26 10.267 -6.912 5.638 1.00 0.00 H new ATOM 333 N PRO A 27 8.378 -4.786 0.684 1.00 0.00 N ATOM 334 CA PRO A 27 7.204 -4.045 0.212 1.00 0.00 C ATOM 335 C PRO A 27 5.963 -4.350 1.039 1.00 0.00 C ATOM 336 O PRO A 27 4.919 -4.719 0.497 1.00 0.00 O ATOM 337 CB PRO A 27 7.034 -4.561 -1.213 1.00 0.00 C ATOM 338 CG PRO A 27 7.521 -5.968 -1.157 1.00 0.00 C ATOM 339 CD PRO A 27 8.624 -5.996 -0.128 1.00 0.00 C ATOM 0 HA PRO A 27 7.334 -2.965 0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.993 -4.513 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.612 -3.968 -1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.715 -6.647 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.890 -6.290 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.582 -6.900 0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.608 -5.971 -0.596 1.00 0.00 H new ATOM 347 N ILE A 28 6.087 -4.208 2.354 1.00 0.00 N ATOM 348 CA ILE A 28 4.981 -4.482 3.264 1.00 0.00 C ATOM 349 C ILE A 28 4.375 -5.856 2.982 1.00 0.00 C ATOM 350 O ILE A 28 3.171 -5.980 2.757 1.00 0.00 O ATOM 351 CB ILE A 28 3.876 -3.411 3.161 1.00 0.00 C ATOM 352 CG1 ILE A 28 4.481 -2.042 2.842 1.00 0.00 C ATOM 353 CG2 ILE A 28 3.073 -3.353 4.452 1.00 0.00 C ATOM 354 CD1 ILE A 28 3.537 -1.124 2.095 1.00 0.00 C ATOM 0 H ILE A 28 6.945 -3.904 2.815 1.00 0.00 H new ATOM 0 HA ILE A 28 5.390 -4.462 4.274 1.00 0.00 H new ATOM 0 HB ILE A 28 3.204 -3.685 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.782 -1.561 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.384 -2.182 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.297 -2.593 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.611 -4.323 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.735 -3.102 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.032 -0.172 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.255 -1.584 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.644 -0.954 2.696 1.00 0.00 H new ATOM 366 N PRO A 29 5.211 -6.914 2.985 1.00 0.00 N ATOM 367 CA PRO A 29 4.761 -8.281 2.725 1.00 0.00 C ATOM 368 C PRO A 29 4.079 -8.906 3.939 1.00 0.00 C ATOM 369 O PRO A 29 4.351 -10.053 4.294 1.00 0.00 O ATOM 370 CB PRO A 29 6.057 -9.041 2.387 1.00 0.00 C ATOM 371 CG PRO A 29 7.162 -8.027 2.424 1.00 0.00 C ATOM 372 CD PRO A 29 6.655 -6.868 3.232 1.00 0.00 C ATOM 0 HA PRO A 29 4.018 -8.315 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.238 -9.840 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.989 -9.507 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.060 -8.449 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.430 -7.709 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.889 -6.979 4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.092 -5.924 2.906 1.00 0.00 H new ATOM 380 N GLU A 30 3.190 -8.145 4.569 1.00 0.00 N ATOM 381 CA GLU A 30 2.467 -8.624 5.742 1.00 0.00 C ATOM 382 C GLU A 30 1.034 -8.100 5.747 1.00 0.00 C ATOM 383 O GLU A 30 0.799 -6.906 5.559 1.00 0.00 O ATOM 384 CB GLU A 30 3.185 -8.190 7.022 1.00 0.00 C ATOM 385 CG GLU A 30 3.037 -9.177 8.168 1.00 0.00 C ATOM 386 CD GLU A 30 3.182 -8.520 9.526 1.00 0.00 C ATOM 387 OE1 GLU A 30 4.277 -7.996 9.818 1.00 0.00 O ATOM 388 OE2 GLU A 30 2.199 -8.530 10.299 1.00 0.00 O ATOM 0 H GLU A 30 2.953 -7.194 4.287 1.00 0.00 H new ATOM 0 HA GLU A 30 2.438 -9.713 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.245 -8.054 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.796 -7.221 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.061 -9.659 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.787 -9.961 8.066 1.00 0.00 H new ATOM 395 N ALA A 31 0.081 -9.002 5.961 1.00 0.00 N ATOM 396 CA ALA A 31 -1.328 -8.631 5.989 1.00 0.00 C ATOM 397 C ALA A 31 -2.135 -9.607 6.837 1.00 0.00 C ATOM 398 O ALA A 31 -1.577 -10.505 7.468 1.00 0.00 O ATOM 399 CB ALA A 31 -1.887 -8.575 4.574 1.00 0.00 C ATOM 0 H ALA A 31 0.260 -9.994 6.117 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.409 -7.642 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.940 -8.297 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.336 -7.835 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.786 -9.553 4.104 1.00 0.00 H new ATOM 405 N VAL A 32 -3.453 -9.426 6.845 1.00 0.00 N ATOM 406 CA VAL A 32 -4.339 -10.290 7.614 1.00 0.00 C ATOM 407 C VAL A 32 -4.721 -11.534 6.815 1.00 0.00 C ATOM 408 O VAL A 32 -5.857 -12.006 6.884 1.00 0.00 O ATOM 409 CB VAL A 32 -5.618 -9.541 8.039 1.00 0.00 C ATOM 410 CG1 VAL A 32 -5.274 -8.388 8.971 1.00 0.00 C ATOM 411 CG2 VAL A 32 -6.375 -9.040 6.820 1.00 0.00 C ATOM 0 H VAL A 32 -3.930 -8.688 6.327 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.795 -10.595 8.508 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.262 -10.236 8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.188 -7.870 9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.778 -8.775 9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.610 -7.692 8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.274 -8.514 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.740 -8.360 6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.654 -9.886 6.192 1.00 0.00 H new ATOM 421 N CYS A 33 -3.756 -12.060 6.063 1.00 0.00 N ATOM 422 CA CYS A 33 -3.971 -13.254 5.248 1.00 0.00 C ATOM 423 C CYS A 33 -5.040 -13.014 4.186 1.00 0.00 C ATOM 424 O CYS A 33 -6.228 -13.235 4.425 1.00 0.00 O ATOM 425 CB CYS A 33 -4.363 -14.440 6.132 1.00 0.00 C ATOM 426 SG CYS A 33 -3.158 -14.822 7.425 1.00 0.00 S ATOM 0 H CYS A 33 -2.813 -11.676 6.001 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.035 -13.484 4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.326 -14.231 6.597 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.497 -15.320 5.503 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.576 -15.836 8.122 1.00 0.00 H new ATOM 432 N CYS A 34 -4.607 -12.564 3.010 1.00 0.00 N ATOM 433 CA CYS A 34 -5.521 -12.297 1.905 1.00 0.00 C ATOM 434 C CYS A 34 -4.756 -12.058 0.606 1.00 0.00 C ATOM 435 O CYS A 34 -5.255 -12.351 -0.480 1.00 0.00 O ATOM 436 CB CYS A 34 -6.401 -11.086 2.221 1.00 0.00 C ATOM 437 SG CYS A 34 -8.007 -11.090 1.358 1.00 0.00 S ATOM 0 H CYS A 34 -3.627 -12.377 2.799 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.155 -13.174 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.578 -11.049 3.296 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.860 -10.178 1.956 1.00 0.00 H new ATOM 442 N SER A 35 -3.540 -11.526 0.731 1.00 0.00 N ATOM 443 CA SER A 35 -2.692 -11.242 -0.426 1.00 0.00 C ATOM 444 C SER A 35 -3.470 -10.510 -1.518 1.00 0.00 C ATOM 445 O SER A 35 -3.867 -11.107 -2.520 1.00 0.00 O ATOM 446 CB SER A 35 -2.093 -12.537 -0.982 1.00 0.00 C ATOM 447 OG SER A 35 -3.105 -13.420 -1.433 1.00 0.00 O ATOM 0 H SER A 35 -3.119 -11.282 1.627 1.00 0.00 H new ATOM 0 HA SER A 35 -1.883 -10.592 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.418 -12.304 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.498 -13.026 -0.210 1.00 0.00 H new ATOM 0 HG SER A 35 -3.911 -12.908 -1.653 1.00 0.00 H new ATOM 453 N ASP A 36 -3.679 -9.213 -1.317 1.00 0.00 N ATOM 454 CA ASP A 36 -4.404 -8.396 -2.283 1.00 0.00 C ATOM 455 C ASP A 36 -3.470 -7.394 -2.955 1.00 0.00 C ATOM 456 O ASP A 36 -2.254 -7.438 -2.760 1.00 0.00 O ATOM 457 CB ASP A 36 -5.558 -7.660 -1.600 1.00 0.00 C ATOM 458 CG ASP A 36 -5.151 -7.050 -0.273 1.00 0.00 C ATOM 459 OD1 ASP A 36 -4.583 -5.938 -0.280 1.00 0.00 O ATOM 460 OD2 ASP A 36 -5.401 -7.684 0.774 1.00 0.00 O ATOM 0 H ASP A 36 -3.356 -8.705 -0.493 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.810 -9.057 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.925 -6.874 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.383 -8.354 -1.440 1.00 0.00 H new ATOM 465 N HIS A 37 -4.043 -6.492 -3.745 1.00 0.00 N ATOM 466 CA HIS A 37 -3.260 -5.481 -4.445 1.00 0.00 C ATOM 467 C HIS A 37 -4.104 -4.245 -4.745 1.00 0.00 C ATOM 468 O HIS A 37 -3.983 -3.221 -4.073 1.00 0.00 O ATOM 469 CB HIS A 37 -2.695 -6.054 -5.745 1.00 0.00 C ATOM 470 CG HIS A 37 -1.199 -6.049 -5.802 1.00 0.00 C ATOM 471 ND1 HIS A 37 -0.472 -5.044 -6.408 1.00 0.00 N ATOM 472 CD2 HIS A 37 -0.290 -6.932 -5.324 1.00 0.00 C ATOM 473 CE1 HIS A 37 0.818 -5.311 -6.301 1.00 0.00 C ATOM 474 NE2 HIS A 37 0.954 -6.450 -5.647 1.00 0.00 N ATOM 0 H HIS A 37 -5.047 -6.441 -3.916 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.435 -5.185 -3.796 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.051 -7.077 -5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -3.084 -5.479 -6.585 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.504 -7.845 -4.789 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.623 -4.702 -6.683 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.841 -6.899 -5.419 1.00 0.00 H new ATOM 483 N GLN A 38 -4.958 -4.350 -5.759 1.00 0.00 N ATOM 484 CA GLN A 38 -5.822 -3.242 -6.152 1.00 0.00 C ATOM 485 C GLN A 38 -6.890 -2.984 -5.093 1.00 0.00 C ATOM 486 O GLN A 38 -6.877 -1.951 -4.424 1.00 0.00 O ATOM 487 CB GLN A 38 -6.483 -3.535 -7.500 1.00 0.00 C ATOM 488 CG GLN A 38 -6.959 -2.289 -8.228 1.00 0.00 C ATOM 489 CD GLN A 38 -5.819 -1.500 -8.841 1.00 0.00 C ATOM 490 OE1 GLN A 38 -4.754 -2.047 -9.129 1.00 0.00 O ATOM 491 NE2 GLN A 38 -6.037 -0.206 -9.046 1.00 0.00 N ATOM 0 H GLN A 38 -5.070 -5.192 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.205 -2.348 -6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.775 -4.068 -8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.332 -4.200 -7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.660 -2.576 -9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.504 -1.652 -7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.935 0.206 -8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.307 0.375 -9.457 1.00 0.00 H new ATOM 500 N HIS A 39 -7.812 -3.931 -4.946 1.00 0.00 N ATOM 501 CA HIS A 39 -8.885 -3.807 -3.966 1.00 0.00 C ATOM 502 C HIS A 39 -8.382 -4.149 -2.567 1.00 0.00 C ATOM 503 O HIS A 39 -8.606 -5.252 -2.068 1.00 0.00 O ATOM 504 CB HIS A 39 -10.055 -4.720 -4.339 1.00 0.00 C ATOM 505 CG HIS A 39 -10.515 -4.557 -5.754 1.00 0.00 C ATOM 506 ND1 HIS A 39 -9.745 -4.914 -6.841 1.00 0.00 N ATOM 507 CD2 HIS A 39 -11.675 -4.073 -6.259 1.00 0.00 C ATOM 508 CE1 HIS A 39 -10.411 -4.655 -7.953 1.00 0.00 C ATOM 509 NE2 HIS A 39 -11.584 -4.146 -7.626 1.00 0.00 N ATOM 0 H HIS A 39 -7.837 -4.792 -5.493 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.229 -2.773 -3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.761 -5.757 -4.179 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.890 -4.518 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -12.515 -3.699 -5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.056 -4.830 -8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.307 -3.854 -8.284 1.00 0.00 H new ATOM 518 N CYS A 40 -7.695 -3.197 -1.944 1.00 0.00 N ATOM 519 CA CYS A 40 -7.153 -3.398 -0.605 1.00 0.00 C ATOM 520 C CYS A 40 -8.031 -2.730 0.450 1.00 0.00 C ATOM 521 O CYS A 40 -8.728 -1.755 0.167 1.00 0.00 O ATOM 522 CB CYS A 40 -5.725 -2.852 -0.525 1.00 0.00 C ATOM 523 SG CYS A 40 -5.581 -1.261 0.322 1.00 0.00 S ATOM 0 H CYS A 40 -7.501 -2.279 -2.345 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.137 -4.469 -0.404 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.098 -3.581 -0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.331 -2.749 -1.536 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.994 -1.384 1.549 1.00 0.00 H new ATOM 529 N CYS A 41 -7.989 -3.265 1.666 1.00 0.00 N ATOM 530 CA CYS A 41 -8.776 -2.731 2.771 1.00 0.00 C ATOM 531 C CYS A 41 -7.928 -1.795 3.636 1.00 0.00 C ATOM 532 O CYS A 41 -6.703 -1.782 3.522 1.00 0.00 O ATOM 533 CB CYS A 41 -9.330 -3.879 3.619 1.00 0.00 C ATOM 534 SG CYS A 41 -10.351 -5.065 2.685 1.00 0.00 S ATOM 0 H CYS A 41 -7.415 -4.072 1.911 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.607 -2.158 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.498 -4.414 4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.926 -3.462 4.431 1.00 0.00 H new ATOM 539 N PRO A 42 -8.568 -0.988 4.509 1.00 0.00 N ATOM 540 CA PRO A 42 -7.856 -0.046 5.382 1.00 0.00 C ATOM 541 C PRO A 42 -7.160 -0.733 6.558 1.00 0.00 C ATOM 542 O PRO A 42 -7.236 -0.262 7.694 1.00 0.00 O ATOM 543 CB PRO A 42 -8.969 0.872 5.884 1.00 0.00 C ATOM 544 CG PRO A 42 -10.190 0.020 5.871 1.00 0.00 C ATOM 545 CD PRO A 42 -10.031 -0.920 4.707 1.00 0.00 C ATOM 0 HA PRO A 42 -7.056 0.470 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.755 1.244 6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.086 1.743 5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.290 -0.531 6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.088 0.628 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.452 -1.902 4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.538 -0.546 3.818 1.00 0.00 H new ATOM 553 N GLN A 43 -6.477 -1.842 6.273 1.00 0.00 N ATOM 554 CA GLN A 43 -5.755 -2.596 7.297 1.00 0.00 C ATOM 555 C GLN A 43 -6.702 -3.165 8.351 1.00 0.00 C ATOM 556 O GLN A 43 -7.805 -2.658 8.554 1.00 0.00 O ATOM 557 CB GLN A 43 -4.700 -1.712 7.969 1.00 0.00 C ATOM 558 CG GLN A 43 -3.288 -1.958 7.464 1.00 0.00 C ATOM 559 CD GLN A 43 -2.706 -3.262 7.971 1.00 0.00 C ATOM 560 OE1 GLN A 43 -2.951 -3.664 9.108 1.00 0.00 O ATOM 561 NE2 GLN A 43 -1.927 -3.930 7.128 1.00 0.00 N ATOM 0 H GLN A 43 -6.409 -2.239 5.336 1.00 0.00 H new ATOM 0 HA GLN A 43 -5.262 -3.431 6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -4.958 -0.666 7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.727 -1.883 9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.292 -1.966 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.646 -1.133 7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.751 -3.560 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.505 -4.813 7.414 1.00 0.00 H new ATOM 570 N GLY A 44 -6.255 -4.223 9.023 1.00 0.00 N ATOM 571 CA GLY A 44 -7.061 -4.851 10.054 1.00 0.00 C ATOM 572 C GLY A 44 -8.379 -5.387 9.528 1.00 0.00 C ATOM 573 O GLY A 44 -9.348 -5.507 10.277 1.00 0.00 O ATOM 0 H GLY A 44 -5.345 -4.657 8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.496 -5.668 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.258 -4.127 10.845 1.00 0.00 H new ATOM 577 N TYR A 45 -8.414 -5.710 8.238 1.00 0.00 N ATOM 578 CA TYR A 45 -9.624 -6.236 7.616 1.00 0.00 C ATOM 579 C TYR A 45 -9.282 -7.222 6.502 1.00 0.00 C ATOM 580 O TYR A 45 -8.323 -7.021 5.756 1.00 0.00 O ATOM 581 CB TYR A 45 -10.476 -5.095 7.057 1.00 0.00 C ATOM 582 CG TYR A 45 -11.200 -4.296 8.119 1.00 0.00 C ATOM 583 CD1 TYR A 45 -12.117 -4.902 8.970 1.00 0.00 C ATOM 584 CD2 TYR A 45 -10.965 -2.935 8.272 1.00 0.00 C ATOM 585 CE1 TYR A 45 -12.779 -4.175 9.940 1.00 0.00 C ATOM 586 CE2 TYR A 45 -11.622 -2.201 9.240 1.00 0.00 C ATOM 587 CZ TYR A 45 -12.528 -2.826 10.071 1.00 0.00 C ATOM 588 OH TYR A 45 -13.184 -2.098 11.037 1.00 0.00 O ATOM 0 H TYR A 45 -7.620 -5.617 7.605 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.193 -6.763 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.837 -4.424 6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.209 -5.507 6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.315 -5.959 8.871 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.256 -2.443 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.489 -4.661 10.592 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.427 -1.144 9.346 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.892 -1.163 10.997 1.00 0.00 H new ATOM 598 N THR A 46 -10.070 -8.288 6.399 1.00 0.00 N ATOM 599 CA THR A 46 -9.851 -9.312 5.380 1.00 0.00 C ATOM 600 C THR A 46 -10.775 -9.113 4.184 1.00 0.00 C ATOM 601 O THR A 46 -11.905 -8.649 4.331 1.00 0.00 O ATOM 602 CB THR A 46 -10.082 -10.724 5.948 1.00 0.00 C ATOM 603 OG1 THR A 46 -10.081 -10.684 7.379 1.00 0.00 O ATOM 604 CG2 THR A 46 -9.009 -11.687 5.461 1.00 0.00 C ATOM 0 H THR A 46 -10.868 -8.466 7.009 1.00 0.00 H new ATOM 0 HA THR A 46 -8.814 -9.214 5.058 1.00 0.00 H new ATOM 0 HB THR A 46 -11.051 -11.078 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.931 -10.313 7.696 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.194 -12.678 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.034 -11.739 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.030 -11.335 5.785 1.00 0.00 H new ATOM 612 N CYS A 47 -10.286 -9.471 3.002 1.00 0.00 N ATOM 613 CA CYS A 47 -11.064 -9.337 1.775 1.00 0.00 C ATOM 614 C CYS A 47 -11.898 -10.589 1.519 1.00 0.00 C ATOM 615 O CYS A 47 -11.369 -11.630 1.128 1.00 0.00 O ATOM 616 CB CYS A 47 -10.140 -9.074 0.583 1.00 0.00 C ATOM 617 SG CYS A 47 -8.364 -9.127 0.987 1.00 0.00 S ATOM 0 H CYS A 47 -9.352 -9.857 2.867 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.739 -8.490 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.347 -9.812 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.376 -8.096 0.163 1.00 0.00 H new ATOM 622 N VAL A 48 -13.204 -10.480 1.742 1.00 0.00 N ATOM 623 CA VAL A 48 -14.113 -11.602 1.537 1.00 0.00 C ATOM 624 C VAL A 48 -15.171 -11.266 0.487 1.00 0.00 C ATOM 625 O VAL A 48 -15.313 -10.111 0.086 1.00 0.00 O ATOM 626 CB VAL A 48 -14.802 -12.008 2.859 1.00 0.00 C ATOM 627 CG1 VAL A 48 -16.054 -11.175 3.103 1.00 0.00 C ATOM 628 CG2 VAL A 48 -15.130 -13.493 2.862 1.00 0.00 C ATOM 0 H VAL A 48 -13.657 -9.625 2.065 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.517 -12.442 1.180 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.106 -11.812 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.518 -11.482 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -15.784 -10.121 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.757 -11.326 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.614 -13.757 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.800 -13.719 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.211 -14.069 2.753 1.00 0.00 H new ATOM 638 N ALA A 49 -15.911 -12.283 0.046 1.00 0.00 N ATOM 639 CA ALA A 49 -16.958 -12.098 -0.956 1.00 0.00 C ATOM 640 C ALA A 49 -16.394 -11.498 -2.242 1.00 0.00 C ATOM 641 O ALA A 49 -15.178 -11.427 -2.423 1.00 0.00 O ATOM 642 CB ALA A 49 -18.070 -11.219 -0.400 1.00 0.00 C ATOM 0 H ALA A 49 -15.804 -13.245 0.368 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.371 -13.077 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.844 -11.089 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -18.501 -11.692 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.662 -10.246 -0.127 1.00 0.00 H new ATOM 648 N GLU A 50 -17.284 -11.072 -3.133 1.00 0.00 N ATOM 649 CA GLU A 50 -16.871 -10.482 -4.402 1.00 0.00 C ATOM 650 C GLU A 50 -16.858 -8.958 -4.319 1.00 0.00 C ATOM 651 O GLU A 50 -17.734 -8.287 -4.868 1.00 0.00 O ATOM 652 CB GLU A 50 -17.805 -10.936 -5.527 1.00 0.00 C ATOM 653 CG GLU A 50 -17.360 -12.223 -6.203 1.00 0.00 C ATOM 654 CD GLU A 50 -17.715 -13.457 -5.398 1.00 0.00 C ATOM 655 OE1 GLU A 50 -18.922 -13.710 -5.200 1.00 0.00 O ATOM 656 OE2 GLU A 50 -16.787 -14.172 -4.967 1.00 0.00 O ATOM 0 H GLU A 50 -18.294 -11.124 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 50 -15.859 -10.823 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.807 -11.075 -5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.870 -10.146 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.823 -12.291 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.282 -12.193 -6.359 1.00 0.00 H new ATOM 663 N GLY A 51 -15.855 -8.416 -3.633 1.00 0.00 N ATOM 664 CA GLY A 51 -15.743 -6.976 -3.494 1.00 0.00 C ATOM 665 C GLY A 51 -16.102 -6.489 -2.103 1.00 0.00 C ATOM 666 O GLY A 51 -16.425 -5.316 -1.916 1.00 0.00 O ATOM 0 H GLY A 51 -15.118 -8.949 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.723 -6.671 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.395 -6.494 -4.222 1.00 0.00 H new ATOM 670 N GLN A 52 -16.045 -7.389 -1.126 1.00 0.00 N ATOM 671 CA GLN A 52 -16.367 -7.040 0.254 1.00 0.00 C ATOM 672 C GLN A 52 -15.122 -7.100 1.133 1.00 0.00 C ATOM 673 O GLN A 52 -14.023 -7.372 0.649 1.00 0.00 O ATOM 674 CB GLN A 52 -17.443 -7.977 0.805 1.00 0.00 C ATOM 675 CG GLN A 52 -18.408 -7.295 1.762 1.00 0.00 C ATOM 676 CD GLN A 52 -19.861 -7.528 1.394 1.00 0.00 C ATOM 677 OE1 GLN A 52 -20.164 -8.096 0.345 1.00 0.00 O ATOM 678 NE2 GLN A 52 -20.768 -7.087 2.257 1.00 0.00 N ATOM 0 H GLN A 52 -15.779 -8.364 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.749 -6.019 0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -18.006 -8.400 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.961 -8.809 1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.230 -7.662 2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.207 -6.224 1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.472 -6.621 3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.761 -7.214 2.062 1.00 0.00 H new ATOM 687 N CYS A 53 -15.300 -6.840 2.426 1.00 0.00 N ATOM 688 CA CYS A 53 -14.187 -6.862 3.367 1.00 0.00 C ATOM 689 C CYS A 53 -14.683 -6.896 4.811 1.00 0.00 C ATOM 690 O CYS A 53 -15.382 -5.988 5.260 1.00 0.00 O ATOM 691 CB CYS A 53 -13.293 -5.639 3.154 1.00 0.00 C ATOM 692 SG CYS A 53 -11.708 -5.712 4.046 1.00 0.00 S ATOM 0 H CYS A 53 -16.202 -6.612 2.844 1.00 0.00 H new ATOM 0 HA CYS A 53 -13.610 -7.769 3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -13.093 -5.530 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.834 -4.747 3.470 1.00 0.00 H new ATOM 697 N GLN A 54 -14.309 -7.950 5.532 1.00 0.00 N ATOM 698 CA GLN A 54 -14.704 -8.108 6.928 1.00 0.00 C ATOM 699 C GLN A 54 -13.507 -8.519 7.780 1.00 0.00 C ATOM 700 O GLN A 54 -12.615 -9.224 7.309 1.00 0.00 O ATOM 701 CB GLN A 54 -15.817 -9.151 7.051 1.00 0.00 C ATOM 702 CG GLN A 54 -16.903 -8.768 8.044 1.00 0.00 C ATOM 703 CD GLN A 54 -17.715 -7.571 7.587 1.00 0.00 C ATOM 704 OE1 GLN A 54 -17.263 -6.429 7.672 1.00 0.00 O ATOM 705 NE2 GLN A 54 -18.923 -7.828 7.098 1.00 0.00 N ATOM 0 H GLN A 54 -13.731 -8.709 5.171 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.077 -7.150 7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -16.270 -9.304 6.071 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -15.380 -10.103 7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -17.569 -9.618 8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -16.446 -8.546 9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -19.258 -8.790 7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -19.516 -7.063 6.775 1.00 0.00 H new ATOM 714 N LYS A 55 -13.489 -8.069 9.032 1.00 0.00 N ATOM 715 CA LYS A 55 -12.393 -8.386 9.944 1.00 0.00 C ATOM 716 C LYS A 55 -12.274 -9.891 10.163 1.00 0.00 C ATOM 717 O LYS A 55 -13.126 -10.665 9.725 1.00 0.00 O ATOM 718 CB LYS A 55 -12.590 -7.677 11.285 1.00 0.00 C ATOM 719 CG LYS A 55 -11.284 -7.321 11.977 1.00 0.00 C ATOM 720 CD LYS A 55 -11.391 -7.486 13.485 1.00 0.00 C ATOM 721 CE LYS A 55 -10.252 -6.780 14.204 1.00 0.00 C ATOM 722 NZ LYS A 55 -10.746 -5.906 15.305 1.00 0.00 N ATOM 0 H LYS A 55 -14.220 -7.485 9.438 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.468 -8.033 9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.168 -6.767 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.179 -8.317 11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.484 -7.956 11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.014 -6.292 11.740 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.344 -7.085 13.829 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.381 -8.546 13.738 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.564 -7.522 14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.688 -6.180 13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.939 -5.443 15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.382 -5.182 14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.262 -6.482 16.000 1.00 0.00 H new ATOM 736 N LEU A 56 -11.205 -10.297 10.842 1.00 0.00 N ATOM 737 CA LEU A 56 -10.961 -11.709 11.119 1.00 0.00 C ATOM 738 C LEU A 56 -11.274 -12.046 12.576 1.00 0.00 C ATOM 739 O LEU A 56 -12.018 -11.327 13.243 1.00 0.00 O ATOM 740 CB LEU A 56 -9.506 -12.084 10.790 1.00 0.00 C ATOM 741 CG LEU A 56 -8.446 -10.997 11.034 1.00 0.00 C ATOM 742 CD1 LEU A 56 -8.497 -9.934 9.947 1.00 0.00 C ATOM 743 CD2 LEU A 56 -8.612 -10.366 12.410 1.00 0.00 C ATOM 0 H LEU A 56 -10.493 -9.667 11.211 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.626 -12.292 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.238 -12.961 11.380 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.458 -12.378 9.742 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.467 -11.475 10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.738 -9.177 10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.308 -10.395 8.978 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.482 -9.467 9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.849 -9.601 12.554 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.600 -9.911 12.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.506 -11.133 13.177 1.00 0.00 H new ATOM 755 N ALA A 57 -10.702 -13.146 13.059 1.00 0.00 N ATOM 756 CA ALA A 57 -10.917 -13.585 14.434 1.00 0.00 C ATOM 757 C ALA A 57 -10.197 -12.672 15.425 1.00 0.00 C ATOM 758 O ALA A 57 -9.969 -11.496 15.145 1.00 0.00 O ATOM 759 CB ALA A 57 -10.456 -15.026 14.600 1.00 0.00 C ATOM 0 H ALA A 57 -10.085 -13.750 12.517 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.984 -13.529 14.648 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.621 -15.344 15.629 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.022 -15.669 13.926 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.394 -15.098 14.363 1.00 0.00 H new ATOM 765 N ALA A 58 -9.843 -13.223 16.586 1.00 0.00 N ATOM 766 CA ALA A 58 -9.153 -12.461 17.623 1.00 0.00 C ATOM 767 C ALA A 58 -9.977 -11.252 18.055 1.00 0.00 C ATOM 768 O ALA A 58 -9.531 -10.110 17.945 1.00 0.00 O ATOM 769 CB ALA A 58 -7.778 -12.023 17.136 1.00 0.00 C ATOM 0 H ALA A 58 -10.024 -14.197 16.831 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.025 -13.109 18.490 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.277 -11.456 17.921 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.183 -12.902 16.887 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.888 -11.397 16.251 1.00 0.00 H new ATOM 775 N ALA A 59 -11.185 -11.516 18.547 1.00 0.00 N ATOM 776 CA ALA A 59 -12.078 -10.456 18.998 1.00 0.00 C ATOM 777 C ALA A 59 -13.124 -10.999 19.964 1.00 0.00 C ATOM 778 O ALA A 59 -13.194 -10.579 21.120 1.00 0.00 O ATOM 779 CB ALA A 59 -12.753 -9.793 17.807 1.00 0.00 C ATOM 0 H ALA A 59 -11.567 -12.457 18.643 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.483 -9.711 19.526 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -13.417 -9.003 18.158 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.995 -9.365 17.151 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -13.331 -10.535 17.257 1.00 0.00 H new ATOM 785 N LEU A 60 -13.931 -11.940 19.480 1.00 0.00 N ATOM 786 CA LEU A 60 -14.977 -12.555 20.292 1.00 0.00 C ATOM 787 C LEU A 60 -15.940 -11.504 20.841 1.00 0.00 C ATOM 788 O LEU A 60 -15.788 -11.037 21.970 1.00 0.00 O ATOM 789 CB LEU A 60 -14.359 -13.352 21.442 1.00 0.00 C ATOM 790 CG LEU A 60 -15.310 -14.319 22.146 1.00 0.00 C ATOM 791 CD1 LEU A 60 -15.187 -15.715 21.555 1.00 0.00 C ATOM 792 CD2 LEU A 60 -15.031 -14.344 23.641 1.00 0.00 C ATOM 0 H LEU A 60 -13.880 -12.294 18.525 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.542 -13.233 19.652 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -13.511 -13.917 21.057 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.967 -12.651 22.179 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.332 -13.972 21.992 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.872 -16.389 22.069 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.436 -15.684 20.494 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.165 -16.073 21.677 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.717 -15.038 24.128 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.005 -14.667 23.814 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.171 -13.345 24.054 1.00 0.00 H new ATOM 804 N GLU A 61 -16.933 -11.142 20.034 1.00 0.00 N ATOM 805 CA GLU A 61 -17.926 -10.151 20.435 1.00 0.00 C ATOM 806 C GLU A 61 -19.118 -10.164 19.483 1.00 0.00 C ATOM 807 O GLU A 61 -20.204 -10.625 19.837 1.00 0.00 O ATOM 808 CB GLU A 61 -17.303 -8.753 20.474 1.00 0.00 C ATOM 809 CG GLU A 61 -17.159 -8.193 21.880 1.00 0.00 C ATOM 810 CD GLU A 61 -16.610 -6.779 21.891 1.00 0.00 C ATOM 811 OE1 GLU A 61 -16.687 -6.102 20.845 1.00 0.00 O ATOM 812 OE2 GLU A 61 -16.103 -6.349 22.949 1.00 0.00 O ATOM 0 H GLU A 61 -17.071 -11.521 19.097 1.00 0.00 H new ATOM 0 HA GLU A 61 -18.276 -10.409 21.434 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.321 -8.788 20.003 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.916 -8.074 19.882 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.131 -8.205 22.373 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.499 -8.839 22.459 1.00 0.00 H new ATOM 819 N HIS A 62 -18.907 -9.657 18.272 1.00 0.00 N ATOM 820 CA HIS A 62 -19.961 -9.610 17.265 1.00 0.00 C ATOM 821 C HIS A 62 -19.459 -10.168 15.935 1.00 0.00 C ATOM 822 O HIS A 62 -18.467 -10.894 15.897 1.00 0.00 O ATOM 823 CB HIS A 62 -20.454 -8.173 17.075 1.00 0.00 C ATOM 824 CG HIS A 62 -20.752 -7.463 18.358 1.00 0.00 C ATOM 825 ND1 HIS A 62 -21.451 -8.042 19.398 1.00 0.00 N ATOM 826 CD2 HIS A 62 -20.443 -6.210 18.769 1.00 0.00 C ATOM 827 CE1 HIS A 62 -21.561 -7.175 20.390 1.00 0.00 C ATOM 828 NE2 HIS A 62 -20.956 -6.057 20.033 1.00 0.00 N ATOM 0 H HIS A 62 -18.014 -9.272 17.964 1.00 0.00 H new ATOM 0 HA HIS A 62 -20.791 -10.226 17.612 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -19.700 -7.610 16.525 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -21.354 -8.186 16.460 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -21.825 -8.991 19.401 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -19.895 -5.469 18.207 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -22.060 -7.351 21.331 1.00 0.00 H new ATOM 837 N HIS A 63 -20.152 -9.817 14.851 1.00 0.00 N ATOM 838 CA HIS A 63 -19.785 -10.273 13.510 1.00 0.00 C ATOM 839 C HIS A 63 -19.958 -11.784 13.370 1.00 0.00 C ATOM 840 O HIS A 63 -20.933 -12.250 12.780 1.00 0.00 O ATOM 841 CB HIS A 63 -18.341 -9.878 13.184 1.00 0.00 C ATOM 842 CG HIS A 63 -18.073 -8.413 13.336 1.00 0.00 C ATOM 843 ND1 HIS A 63 -17.174 -7.904 14.250 1.00 0.00 N ATOM 844 CD2 HIS A 63 -18.589 -7.343 12.684 1.00 0.00 C ATOM 845 CE1 HIS A 63 -17.151 -6.586 14.155 1.00 0.00 C ATOM 846 NE2 HIS A 63 -17.999 -6.222 13.212 1.00 0.00 N ATOM 0 H HIS A 63 -20.975 -9.215 14.876 1.00 0.00 H new ATOM 0 HA HIS A 63 -20.455 -9.787 12.801 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -17.665 -10.432 13.835 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -18.113 -10.177 12.161 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -19.327 -7.368 11.896 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -16.542 -5.920 14.748 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -18.186 -5.262 12.922 1.00 0.00 H new ATOM 855 N HIS A 64 -19.002 -12.540 13.908 1.00 0.00 N ATOM 856 CA HIS A 64 -19.040 -13.998 13.842 1.00 0.00 C ATOM 857 C HIS A 64 -18.911 -14.482 12.402 1.00 0.00 C ATOM 858 O HIS A 64 -18.772 -13.678 11.479 1.00 0.00 O ATOM 859 CB HIS A 64 -20.335 -14.532 14.460 1.00 0.00 C ATOM 860 CG HIS A 64 -20.121 -15.636 15.450 1.00 0.00 C ATOM 861 ND1 HIS A 64 -19.174 -15.577 16.450 1.00 0.00 N ATOM 862 CD2 HIS A 64 -20.742 -16.831 15.591 1.00 0.00 C ATOM 863 CE1 HIS A 64 -19.220 -16.688 17.163 1.00 0.00 C ATOM 864 NE2 HIS A 64 -20.163 -17.465 16.663 1.00 0.00 N ATOM 0 H HIS A 64 -18.189 -12.164 14.396 1.00 0.00 H new ATOM 0 HA HIS A 64 -18.194 -14.381 14.413 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -20.857 -13.711 14.952 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -20.986 -14.892 13.663 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -21.543 -17.214 14.976 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -18.593 -16.921 18.011 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -20.420 -18.387 17.016 1.00 0.00 H new ATOM 873 N HIS A 65 -18.959 -15.800 12.217 1.00 0.00 N ATOM 874 CA HIS A 65 -18.849 -16.399 10.889 1.00 0.00 C ATOM 875 C HIS A 65 -17.526 -16.026 10.228 1.00 0.00 C ATOM 876 O HIS A 65 -17.387 -14.944 9.658 1.00 0.00 O ATOM 877 CB HIS A 65 -20.018 -15.958 10.004 1.00 0.00 C ATOM 878 CG HIS A 65 -21.342 -15.981 10.702 1.00 0.00 C ATOM 879 ND1 HIS A 65 -21.860 -14.890 11.368 1.00 0.00 N ATOM 880 CD2 HIS A 65 -22.257 -16.970 10.836 1.00 0.00 C ATOM 881 CE1 HIS A 65 -23.035 -15.207 11.882 1.00 0.00 C ATOM 882 NE2 HIS A 65 -23.299 -16.463 11.573 1.00 0.00 N ATOM 0 H HIS A 65 -19.074 -16.475 12.973 1.00 0.00 H new ATOM 0 HA HIS A 65 -18.882 -17.482 11.007 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -19.826 -14.949 9.640 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -20.066 -16.608 9.130 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -21.407 -13.980 11.451 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -22.181 -17.971 10.438 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -23.671 -14.550 12.457 1.00 0.00 H new ATOM 891 N HIS A 66 -16.555 -16.931 10.306 1.00 0.00 N ATOM 892 CA HIS A 66 -15.243 -16.699 9.714 1.00 0.00 C ATOM 893 C HIS A 66 -15.252 -17.028 8.225 1.00 0.00 C ATOM 894 O HIS A 66 -14.511 -16.432 7.443 1.00 0.00 O ATOM 895 CB HIS A 66 -14.185 -17.540 10.429 1.00 0.00 C ATOM 896 CG HIS A 66 -12.786 -17.046 10.225 1.00 0.00 C ATOM 897 ND1 HIS A 66 -12.495 -15.831 9.641 1.00 0.00 N ATOM 898 CD2 HIS A 66 -11.594 -17.610 10.532 1.00 0.00 C ATOM 899 CE1 HIS A 66 -11.184 -15.670 9.597 1.00 0.00 C ATOM 900 NE2 HIS A 66 -10.615 -16.734 10.132 1.00 0.00 N ATOM 0 H HIS A 66 -16.653 -17.832 10.774 1.00 0.00 H new ATOM 0 HA HIS A 66 -14.999 -15.643 9.831 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -14.404 -17.553 11.497 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.253 -18.569 10.077 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.442 -18.570 11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.666 -14.813 9.192 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.611 -16.882 10.232 1.00 0.00 H new ATOM 909 N HIS A 67 -16.094 -17.983 7.839 1.00 0.00 N ATOM 910 CA HIS A 67 -16.201 -18.393 6.444 1.00 0.00 C ATOM 911 C HIS A 67 -17.645 -18.719 6.081 1.00 0.00 C ATOM 912 O HIS A 67 -17.922 -18.918 4.879 1.00 0.00 O ATOM 913 CB HIS A 67 -15.309 -19.609 6.176 1.00 0.00 C ATOM 914 CG HIS A 67 -15.264 -20.583 7.313 1.00 0.00 C ATOM 915 ND1 HIS A 67 -14.213 -20.653 8.203 1.00 0.00 N ATOM 916 CD2 HIS A 67 -16.148 -21.533 7.702 1.00 0.00 C ATOM 917 CE1 HIS A 67 -14.452 -21.604 9.090 1.00 0.00 C ATOM 918 NE2 HIS A 67 -15.619 -22.152 8.807 1.00 0.00 N ATOM 919 OXT HIS A 67 -18.488 -18.772 7.000 1.00 0.00 O ATOM 0 H HIS A 67 -16.712 -18.487 8.474 1.00 0.00 H new ATOM 0 HA HIS A 67 -15.867 -17.562 5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.667 -20.122 5.283 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -14.297 -19.266 5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -17.093 -21.761 7.231 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -13.803 -21.884 9.907 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.057 -22.913 9.326 1.00 0.00 H new TER 928 HIS A 67