USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 CYS SG : rot 130:sc= 0.435 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.933 K(o=-0.14,f=-1.9!) USER MOD Set 1.3: A 44 SER OG : rot -150:sc= 0.358 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.425 (180deg=-0.465) USER MOD Single : A 2 THR OG1 : rot -21:sc= 0.336! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.109 (180deg=-0.475) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.984 K(o=-0.98,f=0) USER MOD Single : A 12 ASN : amide:sc= -4.11! K(o=-4.1!,f=0.23) USER MOD Single : A 13 HIS : no HD1:sc= -0.665 K(o=-0.66,f=-0.025) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0574 (180deg=-0.321) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 143:sc= 0.81 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0382 (180deg=-0.282) USER MOD Single : A 35 THR OG1 : rot 73:sc= 1.02 USER MOD Single : A 42 GLN : amide:sc= -0.819 K(o=-0.82,f=-0.13) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.0391 USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.0155 (180deg=-0.223) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0.199 (180deg=-0.132) USER MOD Single : A 54 TYR OH : rot 35:sc= 0.229 USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.0561 (180deg=-0.33) USER MOD Single : A 57 CYS SG : rot -24:sc= 0.111 USER MOD Single : A 58 MET CE :methyl -120:sc= -0.546 (180deg=-2.06!) USER MOD Single : A 59 LYS NZ :NH3+ -158:sc= -0.155 (180deg=-0.629) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.892 K(o=-0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.192 -32.848 -1.119 1.00 0.00 N ATOM 2 CA MET A 1 -6.497 -33.995 -0.226 1.00 0.00 C ATOM 3 C MET A 1 -5.268 -34.397 0.585 1.00 0.00 C ATOM 4 O MET A 1 -5.363 -35.198 1.517 1.00 0.00 O ATOM 5 CB MET A 1 -6.988 -35.187 -1.051 1.00 0.00 C ATOM 6 CG MET A 1 -5.999 -35.643 -2.112 1.00 0.00 C ATOM 7 SD MET A 1 -6.636 -36.997 -3.118 1.00 0.00 S ATOM 8 CE MET A 1 -5.251 -37.285 -4.217 1.00 0.00 C ATOM 0 H1 MET A 1 -7.022 -32.637 -1.709 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.954 -32.014 -0.544 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.386 -33.089 -1.730 1.00 0.00 H new ATOM 0 HA MET A 1 -7.281 -33.688 0.466 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.198 -36.020 -0.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.929 -34.921 -1.534 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.751 -34.801 -2.758 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.074 -35.958 -1.629 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.493 -38.097 -4.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.044 -36.379 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.372 -37.554 -3.632 1.00 0.00 H new ATOM 20 N THR A 2 -4.118 -33.835 0.226 1.00 0.00 N ATOM 21 CA THR A 2 -2.870 -34.132 0.918 1.00 0.00 C ATOM 22 C THR A 2 -2.177 -32.853 1.377 1.00 0.00 C ATOM 23 O THR A 2 -1.287 -32.889 2.226 1.00 0.00 O ATOM 24 CB THR A 2 -1.905 -34.930 0.019 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.651 -35.117 0.687 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.679 -34.211 -1.302 1.00 0.00 C ATOM 0 H THR A 2 -4.025 -33.170 -0.542 1.00 0.00 H new ATOM 0 HA THR A 2 -3.128 -34.735 1.789 1.00 0.00 H new ATOM 0 HB THR A 2 -2.354 -35.902 -0.185 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.552 -34.443 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.995 -34.792 -1.920 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.630 -34.097 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.250 -33.227 -1.112 1.00 0.00 H new ATOM 34 N GLU A 3 -2.591 -31.724 0.809 1.00 0.00 N ATOM 35 CA GLU A 3 -2.008 -30.434 1.160 1.00 0.00 C ATOM 36 C GLU A 3 -2.793 -29.771 2.287 1.00 0.00 C ATOM 37 O GLU A 3 -3.929 -29.338 2.094 1.00 0.00 O ATOM 38 CB GLU A 3 -1.969 -29.514 -0.063 1.00 0.00 C ATOM 39 CG GLU A 3 -1.308 -28.171 0.205 1.00 0.00 C ATOM 40 CD GLU A 3 -1.223 -27.304 -1.036 1.00 0.00 C ATOM 41 OE1 GLU A 3 -2.177 -26.541 -1.294 1.00 0.00 O ATOM 42 OE2 GLU A 3 -0.201 -27.388 -1.750 1.00 0.00 O ATOM 0 H GLU A 3 -3.327 -31.677 0.105 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.989 -30.607 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -1.435 -30.018 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.988 -29.345 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.869 -27.642 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.305 -28.336 0.598 1.00 0.00 H new ATOM 49 N THR A 4 -2.179 -29.697 3.463 1.00 0.00 N ATOM 50 CA THR A 4 -2.819 -29.086 4.622 1.00 0.00 C ATOM 51 C THR A 4 -2.379 -27.636 4.795 1.00 0.00 C ATOM 52 O THR A 4 -1.491 -27.158 4.088 1.00 0.00 O ATOM 53 CB THR A 4 -2.502 -29.863 5.913 1.00 0.00 C ATOM 54 OG1 THR A 4 -1.086 -29.899 6.129 1.00 0.00 O ATOM 55 CG2 THR A 4 -3.044 -31.283 5.833 1.00 0.00 C ATOM 0 H THR A 4 -1.239 -30.052 3.639 1.00 0.00 H new ATOM 0 HA THR A 4 -3.893 -29.117 4.441 1.00 0.00 H new ATOM 0 HB THR A 4 -2.982 -29.352 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.893 -30.393 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.809 -31.815 6.755 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.125 -31.253 5.697 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.586 -31.800 4.990 1.00 0.00 H new ATOM 63 N ASP A 5 -3.002 -26.943 5.743 1.00 0.00 N ATOM 64 CA ASP A 5 -2.678 -25.547 6.009 1.00 0.00 C ATOM 65 C ASP A 5 -2.630 -25.275 7.510 1.00 0.00 C ATOM 66 O ASP A 5 -3.618 -25.473 8.217 1.00 0.00 O ATOM 67 CB ASP A 5 -3.706 -24.629 5.344 1.00 0.00 C ATOM 68 CG ASP A 5 -3.366 -23.161 5.513 1.00 0.00 C ATOM 69 OD1 ASP A 5 -3.758 -22.576 6.545 1.00 0.00 O ATOM 70 OD2 ASP A 5 -2.710 -22.596 4.613 1.00 0.00 O ATOM 0 H ASP A 5 -3.735 -27.326 6.340 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.693 -25.342 5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.766 -24.865 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.691 -24.822 5.770 1.00 0.00 H new ATOM 75 N LYS A 6 -1.476 -24.822 7.987 1.00 0.00 N ATOM 76 CA LYS A 6 -1.295 -24.524 9.403 1.00 0.00 C ATOM 77 C LYS A 6 -1.498 -23.038 9.674 1.00 0.00 C ATOM 78 O LYS A 6 -2.046 -22.654 10.707 1.00 0.00 O ATOM 79 CB LYS A 6 0.102 -24.950 9.861 1.00 0.00 C ATOM 80 CG LYS A 6 0.362 -24.701 11.340 1.00 0.00 C ATOM 81 CD LYS A 6 -0.468 -25.623 12.221 1.00 0.00 C ATOM 82 CE LYS A 6 -0.006 -27.068 12.110 1.00 0.00 C ATOM 83 NZ LYS A 6 1.424 -27.224 12.494 1.00 0.00 N ATOM 0 H LYS A 6 -0.650 -24.653 7.413 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.041 -25.085 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.236 -26.011 9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.847 -24.412 9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.421 -24.850 11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.131 -23.663 11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.398 -25.296 13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.518 -25.553 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.625 -27.697 12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.148 -27.417 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.621 -28.224 12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.030 -26.907 11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.621 -26.650 13.339 1.00 0.00 H new ATOM 97 N LYS A 7 -1.051 -22.206 8.738 1.00 0.00 N ATOM 98 CA LYS A 7 -1.180 -20.761 8.875 1.00 0.00 C ATOM 99 C LYS A 7 -0.874 -20.060 7.555 1.00 0.00 C ATOM 100 O LYS A 7 0.179 -20.276 6.955 1.00 0.00 O ATOM 101 CB LYS A 7 -0.244 -20.242 9.968 1.00 0.00 C ATOM 102 CG LYS A 7 -0.453 -18.774 10.299 1.00 0.00 C ATOM 103 CD LYS A 7 0.542 -18.288 11.339 1.00 0.00 C ATOM 104 CE LYS A 7 0.252 -16.857 11.761 1.00 0.00 C ATOM 105 NZ LYS A 7 1.261 -16.347 12.731 1.00 0.00 N ATOM 0 H LYS A 7 -0.596 -22.509 7.877 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.210 -20.540 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.390 -20.834 10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.788 -20.392 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.352 -18.178 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.468 -18.624 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.506 -18.940 12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.552 -18.352 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.238 -16.215 10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.740 -16.805 12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.027 -15.368 12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.257 -16.944 13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.205 -16.372 12.295 1.00 0.00 H new ATOM 119 N GLN A 8 -1.802 -19.219 7.113 1.00 0.00 N ATOM 120 CA GLN A 8 -1.637 -18.481 5.865 1.00 0.00 C ATOM 121 C GLN A 8 -0.674 -17.312 6.046 1.00 0.00 C ATOM 122 O GLN A 8 -0.267 -16.998 7.166 1.00 0.00 O ATOM 123 CB GLN A 8 -2.990 -17.967 5.375 1.00 0.00 C ATOM 124 CG GLN A 8 -3.743 -17.158 6.419 1.00 0.00 C ATOM 125 CD GLN A 8 -5.072 -16.638 5.907 1.00 0.00 C ATOM 126 OE1 GLN A 8 -5.150 -15.543 5.351 1.00 0.00 O ATOM 127 NE2 GLN A 8 -6.127 -17.422 6.096 1.00 0.00 N ATOM 0 H GLN A 8 -2.678 -19.031 7.601 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.219 -19.160 5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.837 -17.350 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.604 -18.815 5.071 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.914 -17.778 7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.126 -16.317 6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.016 -18.323 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.048 -17.124 5.775 1.00 0.00 H new ATOM 136 N GLU A 9 -0.314 -16.673 4.938 1.00 0.00 N ATOM 137 CA GLU A 9 0.599 -15.535 4.970 1.00 0.00 C ATOM 138 C GLU A 9 -0.022 -14.335 4.262 1.00 0.00 C ATOM 139 O GLU A 9 -0.264 -13.295 4.876 1.00 0.00 O ATOM 140 CB GLU A 9 1.932 -15.906 4.314 1.00 0.00 C ATOM 141 CG GLU A 9 3.072 -14.954 4.647 1.00 0.00 C ATOM 142 CD GLU A 9 2.887 -13.575 4.043 1.00 0.00 C ATOM 143 OE1 GLU A 9 3.233 -13.396 2.855 1.00 0.00 O ATOM 144 OE2 GLU A 9 2.398 -12.674 4.756 1.00 0.00 O ATOM 0 H GLU A 9 -0.641 -16.924 4.005 1.00 0.00 H new ATOM 0 HA GLU A 9 0.784 -15.267 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.210 -16.913 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.798 -15.932 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.157 -14.862 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.010 -15.379 4.289 1.00 0.00 H new ATOM 151 N GLN A 10 -0.279 -14.488 2.966 1.00 0.00 N ATOM 152 CA GLN A 10 -0.875 -13.420 2.171 1.00 0.00 C ATOM 153 C GLN A 10 -1.847 -13.985 1.142 1.00 0.00 C ATOM 154 O GLN A 10 -1.436 -14.579 0.145 1.00 0.00 O ATOM 155 CB GLN A 10 0.215 -12.609 1.469 1.00 0.00 C ATOM 156 CG GLN A 10 -0.330 -11.491 0.593 1.00 0.00 C ATOM 157 CD GLN A 10 0.763 -10.734 -0.137 1.00 0.00 C ATOM 158 OE1 GLN A 10 0.552 -10.231 -1.241 1.00 0.00 O ATOM 159 NE2 GLN A 10 1.936 -10.643 0.479 1.00 0.00 N ATOM 0 H GLN A 10 -0.083 -15.342 2.444 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.428 -12.765 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.879 -12.181 2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.818 -13.279 0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.024 -11.911 -0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.898 -10.795 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.067 -11.075 1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.706 -10.141 0.038 1.00 0.00 H new ATOM 168 N GLU A 11 -3.139 -13.794 1.390 1.00 0.00 N ATOM 169 CA GLU A 11 -4.174 -14.284 0.486 1.00 0.00 C ATOM 170 C GLU A 11 -4.983 -13.126 -0.091 1.00 0.00 C ATOM 171 O GLU A 11 -5.323 -13.122 -1.273 1.00 0.00 O ATOM 172 CB GLU A 11 -5.100 -15.258 1.217 1.00 0.00 C ATOM 173 CG GLU A 11 -4.385 -16.486 1.758 1.00 0.00 C ATOM 174 CD GLU A 11 -3.732 -17.311 0.667 1.00 0.00 C ATOM 175 OE1 GLU A 11 -4.404 -18.210 0.119 1.00 0.00 O ATOM 176 OE2 GLU A 11 -2.548 -17.059 0.360 1.00 0.00 O ATOM 0 H GLU A 11 -3.495 -13.303 2.210 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.687 -14.808 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.584 -14.736 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.889 -15.577 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.626 -16.173 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.098 -17.107 2.300 1.00 0.00 H new ATOM 183 N ASN A 12 -5.287 -12.146 0.755 1.00 0.00 N ATOM 184 CA ASN A 12 -6.053 -10.979 0.333 1.00 0.00 C ATOM 185 C ASN A 12 -5.252 -9.702 0.573 1.00 0.00 C ATOM 186 O ASN A 12 -4.157 -9.746 1.132 1.00 0.00 O ATOM 187 CB ASN A 12 -7.382 -10.917 1.086 1.00 0.00 C ATOM 188 CG ASN A 12 -8.549 -10.536 0.191 1.00 0.00 C ATOM 189 OD1 ASN A 12 -9.691 -10.920 0.446 1.00 0.00 O ATOM 190 ND2 ASN A 12 -8.271 -9.779 -0.864 1.00 0.00 N ATOM 0 H ASN A 12 -5.014 -12.137 1.738 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.258 -11.066 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -7.581 -11.887 1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.301 -10.194 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.017 -9.495 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.311 -9.482 -1.040 1.00 0.00 H new ATOM 197 N HIS A 13 -5.807 -8.566 0.152 1.00 0.00 N ATOM 198 CA HIS A 13 -5.142 -7.277 0.319 1.00 0.00 C ATOM 199 C HIS A 13 -3.768 -7.283 -0.347 1.00 0.00 C ATOM 200 O HIS A 13 -2.774 -7.680 0.262 1.00 0.00 O ATOM 201 CB HIS A 13 -5.001 -6.930 1.804 1.00 0.00 C ATOM 202 CG HIS A 13 -6.306 -6.881 2.536 1.00 0.00 C ATOM 203 ND1 HIS A 13 -7.034 -5.720 2.701 1.00 0.00 N ATOM 204 CD2 HIS A 13 -7.014 -7.857 3.151 1.00 0.00 C ATOM 205 CE1 HIS A 13 -8.132 -5.986 3.386 1.00 0.00 C ATOM 206 NE2 HIS A 13 -8.144 -7.275 3.670 1.00 0.00 N ATOM 0 H HIS A 13 -6.716 -8.514 -0.307 1.00 0.00 H new ATOM 0 HA HIS A 13 -5.759 -6.518 -0.163 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.354 -7.667 2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.506 -5.964 1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -6.741 -8.900 3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.891 -5.270 3.666 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.875 -7.760 4.191 1.00 0.00 H new ATOM 215 N ALA A 14 -3.720 -6.846 -1.602 1.00 0.00 N ATOM 216 CA ALA A 14 -2.469 -6.803 -2.349 1.00 0.00 C ATOM 217 C ALA A 14 -2.516 -5.755 -3.454 1.00 0.00 C ATOM 218 O ALA A 14 -1.562 -5.601 -4.217 1.00 0.00 O ATOM 219 CB ALA A 14 -2.158 -8.172 -2.935 1.00 0.00 C ATOM 0 H ALA A 14 -4.533 -6.517 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.676 -6.523 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.221 -8.126 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.067 -8.900 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.963 -8.472 -3.606 1.00 0.00 H new ATOM 225 N GLU A 15 -3.631 -5.034 -3.537 1.00 0.00 N ATOM 226 CA GLU A 15 -3.795 -4.000 -4.552 1.00 0.00 C ATOM 227 C GLU A 15 -4.710 -2.884 -4.054 1.00 0.00 C ATOM 228 O GLU A 15 -5.610 -3.121 -3.246 1.00 0.00 O ATOM 229 CB GLU A 15 -4.358 -4.601 -5.845 1.00 0.00 C ATOM 230 CG GLU A 15 -5.794 -5.090 -5.724 1.00 0.00 C ATOM 231 CD GLU A 15 -5.939 -6.261 -4.771 1.00 0.00 C ATOM 232 OE1 GLU A 15 -5.703 -7.409 -5.202 1.00 0.00 O ATOM 233 OE2 GLU A 15 -6.289 -6.028 -3.595 1.00 0.00 O ATOM 0 H GLU A 15 -4.432 -5.147 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.813 -3.574 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.305 -3.852 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.726 -5.434 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.425 -4.269 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.157 -5.382 -6.709 1.00 0.00 H new ATOM 240 N CYS A 16 -4.468 -1.669 -4.539 1.00 0.00 N ATOM 241 CA CYS A 16 -5.269 -0.510 -4.152 1.00 0.00 C ATOM 242 C CYS A 16 -5.255 -0.313 -2.637 1.00 0.00 C ATOM 243 O CYS A 16 -6.199 0.232 -2.065 1.00 0.00 O ATOM 244 CB CYS A 16 -6.708 -0.672 -4.645 1.00 0.00 C ATOM 245 SG CYS A 16 -6.860 -0.829 -6.439 1.00 0.00 S ATOM 0 H CYS A 16 -3.722 -1.461 -5.202 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.830 0.373 -4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.144 -1.554 -4.176 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.293 0.187 -4.315 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.113 -0.964 -6.758 1.00 0.00 H new ATOM 251 N GLU A 17 -4.176 -0.752 -1.997 1.00 0.00 N ATOM 252 CA GLU A 17 -4.040 -0.625 -0.550 1.00 0.00 C ATOM 253 C GLU A 17 -3.438 0.725 -0.172 1.00 0.00 C ATOM 254 O GLU A 17 -3.888 1.371 0.775 1.00 0.00 O ATOM 255 CB GLU A 17 -3.173 -1.760 0.003 1.00 0.00 C ATOM 256 CG GLU A 17 -2.988 -1.705 1.511 1.00 0.00 C ATOM 257 CD GLU A 17 -2.128 -2.839 2.034 1.00 0.00 C ATOM 258 OE1 GLU A 17 -0.889 -2.678 2.067 1.00 0.00 O ATOM 259 OE2 GLU A 17 -2.692 -3.887 2.411 1.00 0.00 O ATOM 0 H GLU A 17 -3.383 -1.199 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.035 -0.690 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.625 -2.715 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.195 -1.725 -0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.532 -0.753 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.964 -1.741 1.995 1.00 0.00 H new ATOM 266 N ASP A 18 -2.421 1.148 -0.918 1.00 0.00 N ATOM 267 CA ASP A 18 -1.758 2.421 -0.656 1.00 0.00 C ATOM 268 C ASP A 18 -1.784 3.320 -1.890 1.00 0.00 C ATOM 269 O ASP A 18 -2.388 2.969 -2.904 1.00 0.00 O ATOM 270 CB ASP A 18 -0.313 2.184 -0.210 1.00 0.00 C ATOM 271 CG ASP A 18 0.458 1.310 -1.180 1.00 0.00 C ATOM 272 OD1 ASP A 18 0.350 0.071 -1.079 1.00 0.00 O ATOM 273 OD2 ASP A 18 1.172 1.866 -2.041 1.00 0.00 O ATOM 0 H ASP A 18 -2.039 0.628 -1.708 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.301 2.925 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.194 3.143 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.312 1.717 0.775 1.00 0.00 H new ATOM 278 N LYS A 19 -1.120 4.474 -1.783 1.00 0.00 N ATOM 279 CA LYS A 19 -1.039 5.462 -2.869 1.00 0.00 C ATOM 280 C LYS A 19 -2.367 5.613 -3.622 1.00 0.00 C ATOM 281 O LYS A 19 -2.702 4.797 -4.480 1.00 0.00 O ATOM 282 CB LYS A 19 0.090 5.109 -3.848 1.00 0.00 C ATOM 283 CG LYS A 19 0.023 3.696 -4.410 1.00 0.00 C ATOM 284 CD LYS A 19 1.108 3.458 -5.446 1.00 0.00 C ATOM 285 CE LYS A 19 1.013 2.063 -6.040 1.00 0.00 C ATOM 286 NZ LYS A 19 -0.300 1.826 -6.700 1.00 0.00 N ATOM 0 H LYS A 19 -0.621 4.753 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.817 6.422 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.069 5.817 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.046 5.239 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.128 2.975 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.955 3.528 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.023 4.200 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.087 3.593 -4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.814 1.923 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.162 1.323 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.233 0.990 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.029 1.665 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.557 2.657 -7.271 1.00 0.00 H new ATOM 300 N PRO A 20 -3.138 6.680 -3.324 1.00 0.00 N ATOM 301 CA PRO A 20 -4.425 6.923 -3.982 1.00 0.00 C ATOM 302 C PRO A 20 -4.254 7.387 -5.424 1.00 0.00 C ATOM 303 O PRO A 20 -5.013 6.990 -6.308 1.00 0.00 O ATOM 304 CB PRO A 20 -5.051 8.032 -3.138 1.00 0.00 C ATOM 305 CG PRO A 20 -3.891 8.762 -2.558 1.00 0.00 C ATOM 306 CD PRO A 20 -2.821 7.729 -2.333 1.00 0.00 C ATOM 0 HA PRO A 20 -5.032 6.019 -4.040 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.671 8.691 -3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.692 7.622 -2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.543 9.543 -3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.165 9.250 -1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.825 8.142 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.847 7.340 -1.315 1.00 0.00 H new ATOM 314 N LYS A 21 -3.248 8.227 -5.652 1.00 0.00 N ATOM 315 CA LYS A 21 -2.973 8.751 -6.986 1.00 0.00 C ATOM 316 C LYS A 21 -1.586 9.406 -7.061 1.00 0.00 C ATOM 317 O LYS A 21 -0.809 9.094 -7.963 1.00 0.00 O ATOM 318 CB LYS A 21 -4.061 9.747 -7.406 1.00 0.00 C ATOM 319 CG LYS A 21 -3.830 10.372 -8.774 1.00 0.00 C ATOM 320 CD LYS A 21 -3.867 9.330 -9.880 1.00 0.00 C ATOM 321 CE LYS A 21 -3.567 9.946 -11.237 1.00 0.00 C ATOM 322 NZ LYS A 21 -3.555 8.924 -12.320 1.00 0.00 N ATOM 0 H LYS A 21 -2.609 8.559 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.979 7.910 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.025 9.238 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.121 10.540 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.591 11.129 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.866 10.880 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.141 8.546 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.849 8.857 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.314 10.706 -11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.601 10.449 -11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.347 9.384 -13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.825 8.212 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.485 8.461 -12.371 1.00 0.00 H new ATOM 336 N PRO A 22 -1.246 10.320 -6.121 1.00 0.00 N ATOM 337 CA PRO A 22 0.057 10.995 -6.119 1.00 0.00 C ATOM 338 C PRO A 22 1.187 10.081 -5.653 1.00 0.00 C ATOM 339 O PRO A 22 2.353 10.320 -5.960 1.00 0.00 O ATOM 340 CB PRO A 22 -0.125 12.158 -5.127 1.00 0.00 C ATOM 341 CG PRO A 22 -1.576 12.170 -4.770 1.00 0.00 C ATOM 342 CD PRO A 22 -2.078 10.776 -5.001 1.00 0.00 C ATOM 0 HA PRO A 22 0.338 11.316 -7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.494 12.016 -4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.174 13.105 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.718 12.467 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.122 12.886 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.951 10.148 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.139 10.763 -5.252 1.00 0.00 H new ATOM 350 N CYS A 23 0.824 9.041 -4.902 1.00 0.00 N ATOM 351 CA CYS A 23 1.791 8.074 -4.378 1.00 0.00 C ATOM 352 C CYS A 23 2.933 8.768 -3.636 1.00 0.00 C ATOM 353 O CYS A 23 3.989 8.175 -3.409 1.00 0.00 O ATOM 354 CB CYS A 23 2.345 7.192 -5.503 1.00 0.00 C ATOM 355 SG CYS A 23 3.715 7.920 -6.433 1.00 0.00 S ATOM 0 H CYS A 23 -0.142 8.845 -4.641 1.00 0.00 H new ATOM 0 HA CYS A 23 1.264 7.440 -3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.677 6.247 -5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.536 6.961 -6.196 1.00 0.00 H new ATOM 361 N CYS A 24 2.711 10.026 -3.256 1.00 0.00 N ATOM 362 CA CYS A 24 3.710 10.810 -2.528 1.00 0.00 C ATOM 363 C CYS A 24 5.008 10.950 -3.322 1.00 0.00 C ATOM 364 O CYS A 24 6.001 11.463 -2.808 1.00 0.00 O ATOM 365 CB CYS A 24 4.003 10.170 -1.171 1.00 0.00 C ATOM 366 SG CYS A 24 2.558 10.019 -0.099 1.00 0.00 S ATOM 0 H CYS A 24 1.842 10.527 -3.442 1.00 0.00 H new ATOM 0 HA CYS A 24 3.295 11.807 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.427 9.179 -1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.762 10.762 -0.659 1.00 0.00 H new ATOM 0 HG CYS A 24 2.628 8.906 0.570 1.00 0.00 H new ATOM 372 N VAL A 25 4.990 10.502 -4.575 1.00 0.00 N ATOM 373 CA VAL A 25 6.168 10.576 -5.436 1.00 0.00 C ATOM 374 C VAL A 25 7.348 9.830 -4.820 1.00 0.00 C ATOM 375 O VAL A 25 8.033 10.349 -3.939 1.00 0.00 O ATOM 376 CB VAL A 25 6.586 12.034 -5.703 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.653 12.095 -6.786 1.00 0.00 C ATOM 378 CG2 VAL A 25 5.379 12.880 -6.081 1.00 0.00 C ATOM 0 H VAL A 25 4.172 10.083 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 25 5.893 10.107 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 25 7.010 12.443 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.935 13.133 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.528 11.530 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.261 11.666 -7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.697 13.906 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.919 12.475 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.655 12.865 -5.266 1.00 0.00 H new ATOM 388 N CYS A 26 7.580 8.613 -5.295 1.00 0.00 N ATOM 389 CA CYS A 26 8.675 7.791 -4.790 1.00 0.00 C ATOM 390 C CYS A 26 9.645 7.422 -5.907 1.00 0.00 C ATOM 391 O CYS A 26 9.304 7.492 -7.088 1.00 0.00 O ATOM 392 CB CYS A 26 8.128 6.521 -4.135 1.00 0.00 C ATOM 393 SG CYS A 26 7.090 5.519 -5.225 1.00 0.00 S ATOM 0 H CYS A 26 7.025 8.172 -6.029 1.00 0.00 H new ATOM 0 HA CYS A 26 9.216 8.374 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.965 5.914 -3.788 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.549 6.799 -3.254 1.00 0.00 H new ATOM 399 N LYS A 27 10.856 7.028 -5.521 1.00 0.00 N ATOM 400 CA LYS A 27 11.884 6.644 -6.483 1.00 0.00 C ATOM 401 C LYS A 27 13.103 6.033 -5.780 1.00 0.00 C ATOM 402 O LYS A 27 13.537 4.939 -6.138 1.00 0.00 O ATOM 403 CB LYS A 27 12.304 7.848 -7.334 1.00 0.00 C ATOM 404 CG LYS A 27 13.356 7.518 -8.383 1.00 0.00 C ATOM 405 CD LYS A 27 13.703 8.733 -9.231 1.00 0.00 C ATOM 406 CE LYS A 27 14.416 9.801 -8.415 1.00 0.00 C ATOM 407 NZ LYS A 27 14.682 11.027 -9.216 1.00 0.00 N ATOM 0 H LYS A 27 11.149 6.966 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 27 11.459 5.885 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.424 8.255 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.690 8.628 -6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.256 7.147 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.991 6.717 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.337 8.427 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.792 9.150 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.810 10.059 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.358 9.402 -8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.169 11.730 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.282 10.786 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.782 11.423 -9.554 1.00 0.00 H new ATOM 421 N PRO A 28 13.679 6.722 -4.766 1.00 0.00 N ATOM 422 CA PRO A 28 14.849 6.210 -4.042 1.00 0.00 C ATOM 423 C PRO A 28 14.505 5.028 -3.143 1.00 0.00 C ATOM 424 O PRO A 28 15.113 3.962 -3.245 1.00 0.00 O ATOM 425 CB PRO A 28 15.301 7.406 -3.203 1.00 0.00 C ATOM 426 CG PRO A 28 14.065 8.210 -2.997 1.00 0.00 C ATOM 427 CD PRO A 28 13.246 8.038 -4.246 1.00 0.00 C ATOM 0 HA PRO A 28 15.615 5.836 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.728 7.085 -2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 28 16.068 7.984 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.517 7.865 -2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.306 9.260 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.178 8.052 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.437 8.836 -4.964 1.00 0.00 H new ATOM 435 N GLU A 29 13.529 5.224 -2.261 1.00 0.00 N ATOM 436 CA GLU A 29 13.106 4.175 -1.340 1.00 0.00 C ATOM 437 C GLU A 29 12.659 2.931 -2.100 1.00 0.00 C ATOM 438 O GLU A 29 13.030 1.809 -1.749 1.00 0.00 O ATOM 439 CB GLU A 29 11.970 4.682 -0.447 1.00 0.00 C ATOM 440 CG GLU A 29 11.536 3.683 0.613 1.00 0.00 C ATOM 441 CD GLU A 29 12.662 3.301 1.552 1.00 0.00 C ATOM 442 OE1 GLU A 29 12.896 4.040 2.532 1.00 0.00 O ATOM 443 OE2 GLU A 29 13.311 2.263 1.308 1.00 0.00 O ATOM 0 H GLU A 29 13.016 6.100 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 29 13.958 3.907 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.287 5.603 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.112 4.932 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.714 4.106 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.154 2.786 0.126 1.00 0.00 H new ATOM 450 N LYS A 30 11.861 3.137 -3.144 1.00 0.00 N ATOM 451 CA LYS A 30 11.366 2.031 -3.955 1.00 0.00 C ATOM 452 C LYS A 30 12.520 1.292 -4.624 1.00 0.00 C ATOM 453 O LYS A 30 12.495 0.068 -4.749 1.00 0.00 O ATOM 454 CB LYS A 30 10.387 2.546 -5.014 1.00 0.00 C ATOM 455 CG LYS A 30 9.789 1.447 -5.876 1.00 0.00 C ATOM 456 CD LYS A 30 8.832 2.010 -6.914 1.00 0.00 C ATOM 457 CE LYS A 30 8.242 0.909 -7.781 1.00 0.00 C ATOM 458 NZ LYS A 30 9.295 0.151 -8.511 1.00 0.00 N ATOM 0 H LYS A 30 11.544 4.058 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 30 10.844 1.334 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.581 3.087 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.902 3.260 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.588 0.900 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.262 0.733 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.029 2.551 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.357 2.728 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.669 0.224 -7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.546 1.345 -8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.857 -0.408 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.980 0.817 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.785 -0.486 -7.851 1.00 0.00 H new ATOM 472 N GLU A 31 13.532 2.043 -5.050 1.00 0.00 N ATOM 473 CA GLU A 31 14.698 1.456 -5.700 1.00 0.00 C ATOM 474 C GLU A 31 15.455 0.551 -4.732 1.00 0.00 C ATOM 475 O GLU A 31 15.930 -0.520 -5.112 1.00 0.00 O ATOM 476 CB GLU A 31 15.627 2.555 -6.225 1.00 0.00 C ATOM 477 CG GLU A 31 16.888 2.023 -6.888 1.00 0.00 C ATOM 478 CD GLU A 31 16.593 1.157 -8.097 1.00 0.00 C ATOM 479 OE1 GLU A 31 16.502 1.708 -9.214 1.00 0.00 O ATOM 480 OE2 GLU A 31 16.453 -0.072 -7.927 1.00 0.00 O ATOM 0 H GLU A 31 13.567 3.058 -4.957 1.00 0.00 H new ATOM 0 HA GLU A 31 14.352 0.855 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.081 3.168 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.909 3.206 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.515 2.861 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.459 1.444 -6.162 1.00 0.00 H new ATOM 487 N GLU A 32 15.564 0.991 -3.482 1.00 0.00 N ATOM 488 CA GLU A 32 16.257 0.217 -2.458 1.00 0.00 C ATOM 489 C GLU A 32 15.514 -1.085 -2.180 1.00 0.00 C ATOM 490 O GLU A 32 16.129 -2.141 -2.027 1.00 0.00 O ATOM 491 CB GLU A 32 16.386 1.031 -1.170 1.00 0.00 C ATOM 492 CG GLU A 32 17.231 2.285 -1.328 1.00 0.00 C ATOM 493 CD GLU A 32 17.325 3.090 -0.048 1.00 0.00 C ATOM 494 OE1 GLU A 32 16.456 3.960 0.172 1.00 0.00 O ATOM 495 OE2 GLU A 32 18.269 2.853 0.736 1.00 0.00 O ATOM 0 H GLU A 32 15.182 1.878 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 32 17.255 -0.021 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.391 1.314 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.824 0.403 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.234 2.005 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.806 2.908 -2.114 1.00 0.00 H new ATOM 502 N ARG A 33 14.189 -1.000 -2.116 1.00 0.00 N ATOM 503 CA ARG A 33 13.359 -2.172 -1.865 1.00 0.00 C ATOM 504 C ARG A 33 13.524 -3.194 -2.986 1.00 0.00 C ATOM 505 O ARG A 33 13.684 -4.387 -2.732 1.00 0.00 O ATOM 506 CB ARG A 33 11.889 -1.765 -1.737 1.00 0.00 C ATOM 507 CG ARG A 33 10.961 -2.925 -1.413 1.00 0.00 C ATOM 508 CD ARG A 33 9.530 -2.452 -1.209 1.00 0.00 C ATOM 509 NE ARG A 33 8.978 -1.827 -2.408 1.00 0.00 N ATOM 510 CZ ARG A 33 7.715 -1.417 -2.512 1.00 0.00 C ATOM 511 NH1 ARG A 33 6.881 -1.562 -1.490 1.00 0.00 N ATOM 512 NH2 ARG A 33 7.288 -0.857 -3.636 1.00 0.00 N ATOM 0 H ARG A 33 13.667 -0.131 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 33 13.681 -2.627 -0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.797 -1.009 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.566 -1.302 -2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.993 -3.655 -2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.310 -3.431 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.907 -3.299 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.499 -1.741 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 33 9.594 -1.697 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.207 -1.988 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.914 -1.247 -1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.927 -0.740 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.321 -0.544 -3.714 1.00 0.00 H new ATOM 526 N ASP A 34 13.488 -2.712 -4.225 1.00 0.00 N ATOM 527 CA ASP A 34 13.638 -3.578 -5.388 1.00 0.00 C ATOM 528 C ASP A 34 14.985 -4.292 -5.358 1.00 0.00 C ATOM 529 O ASP A 34 15.067 -5.496 -5.610 1.00 0.00 O ATOM 530 CB ASP A 34 13.509 -2.765 -6.678 1.00 0.00 C ATOM 531 CG ASP A 34 13.693 -3.617 -7.919 1.00 0.00 C ATOM 532 OD1 ASP A 34 12.686 -4.163 -8.418 1.00 0.00 O ATOM 533 OD2 ASP A 34 14.843 -3.737 -8.393 1.00 0.00 O ATOM 0 H ASP A 34 13.356 -1.726 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 34 12.846 -4.326 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.528 -2.290 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.250 -1.966 -6.676 1.00 0.00 H new ATOM 538 N THR A 35 16.037 -3.543 -5.045 1.00 0.00 N ATOM 539 CA THR A 35 17.382 -4.102 -4.979 1.00 0.00 C ATOM 540 C THR A 35 17.448 -5.236 -3.961 1.00 0.00 C ATOM 541 O THR A 35 18.004 -6.299 -4.239 1.00 0.00 O ATOM 542 CB THR A 35 18.419 -3.026 -4.608 1.00 0.00 C ATOM 543 OG1 THR A 35 18.337 -1.931 -5.529 1.00 0.00 O ATOM 544 CG2 THR A 35 19.828 -3.600 -4.624 1.00 0.00 C ATOM 0 H THR A 35 15.984 -2.547 -4.833 1.00 0.00 H new ATOM 0 HA THR A 35 17.618 -4.491 -5.970 1.00 0.00 H new ATOM 0 HB THR A 35 18.199 -2.674 -3.600 1.00 0.00 H new ATOM 0 HG1 THR A 35 17.523 -1.415 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 35 20.542 -2.820 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.897 -4.415 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 35 20.056 -3.977 -5.621 1.00 0.00 H new ATOM 552 N CYS A 36 16.877 -5.002 -2.784 1.00 0.00 N ATOM 553 CA CYS A 36 16.864 -6.008 -1.727 1.00 0.00 C ATOM 554 C CYS A 36 16.217 -7.296 -2.223 1.00 0.00 C ATOM 555 O CYS A 36 16.779 -8.383 -2.080 1.00 0.00 O ATOM 556 CB CYS A 36 16.107 -5.483 -0.505 1.00 0.00 C ATOM 557 SG CYS A 36 16.067 -6.637 0.888 1.00 0.00 S ATOM 0 H CYS A 36 16.417 -4.125 -2.538 1.00 0.00 H new ATOM 0 HA CYS A 36 17.895 -6.220 -1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 36 16.568 -4.551 -0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 36 15.084 -5.247 -0.798 1.00 0.00 H new ATOM 0 HG CYS A 36 16.435 -6.021 1.972 1.00 0.00 H new ATOM 563 N ILE A 37 15.033 -7.162 -2.813 1.00 0.00 N ATOM 564 CA ILE A 37 14.303 -8.309 -3.337 1.00 0.00 C ATOM 565 C ILE A 37 15.049 -8.935 -4.513 1.00 0.00 C ATOM 566 O ILE A 37 14.854 -10.108 -4.835 1.00 0.00 O ATOM 567 CB ILE A 37 12.885 -7.904 -3.790 1.00 0.00 C ATOM 568 CG1 ILE A 37 12.163 -7.161 -2.663 1.00 0.00 C ATOM 569 CG2 ILE A 37 12.092 -9.132 -4.214 1.00 0.00 C ATOM 570 CD1 ILE A 37 10.878 -6.489 -3.102 1.00 0.00 C ATOM 0 H ILE A 37 14.559 -6.268 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 37 14.223 -9.040 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 37 12.969 -7.237 -4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.939 -7.865 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.833 -6.408 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.094 -8.829 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 37 12.601 -9.626 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.012 -9.822 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.423 -5.983 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.097 -5.760 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.189 -7.239 -3.489 1.00 0.00 H new ATOM 582 N LEU A 38 15.907 -8.144 -5.150 1.00 0.00 N ATOM 583 CA LEU A 38 16.683 -8.619 -6.288 1.00 0.00 C ATOM 584 C LEU A 38 17.781 -9.573 -5.827 1.00 0.00 C ATOM 585 O LEU A 38 18.026 -10.603 -6.457 1.00 0.00 O ATOM 586 CB LEU A 38 17.291 -7.430 -7.042 1.00 0.00 C ATOM 587 CG LEU A 38 17.562 -7.661 -8.532 1.00 0.00 C ATOM 588 CD1 LEU A 38 17.813 -6.336 -9.237 1.00 0.00 C ATOM 589 CD2 LEU A 38 18.745 -8.596 -8.727 1.00 0.00 C ATOM 0 H LEU A 38 16.082 -7.172 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 38 16.019 -9.161 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.620 -6.577 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 38 18.229 -7.157 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 38 16.681 -8.129 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 38 18.004 -6.517 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.937 -5.696 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.678 -5.845 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 38 18.919 -8.745 -9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 38 19.634 -8.158 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 38 18.532 -9.556 -8.256 1.00 0.00 H new ATOM 601 N PHE A 39 18.435 -9.228 -4.721 1.00 0.00 N ATOM 602 CA PHE A 39 19.507 -10.057 -4.177 1.00 0.00 C ATOM 603 C PHE A 39 18.947 -11.260 -3.422 1.00 0.00 C ATOM 604 O PHE A 39 19.170 -12.406 -3.817 1.00 0.00 O ATOM 605 CB PHE A 39 20.403 -9.233 -3.250 1.00 0.00 C ATOM 606 CG PHE A 39 21.425 -8.406 -3.978 1.00 0.00 C ATOM 607 CD1 PHE A 39 21.130 -7.115 -4.386 1.00 0.00 C ATOM 608 CD2 PHE A 39 22.681 -8.921 -4.256 1.00 0.00 C ATOM 609 CE1 PHE A 39 22.069 -6.353 -5.057 1.00 0.00 C ATOM 610 CE2 PHE A 39 23.623 -8.165 -4.927 1.00 0.00 C ATOM 611 CZ PHE A 39 23.317 -6.879 -5.327 1.00 0.00 C ATOM 0 H PHE A 39 18.242 -8.382 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 39 20.100 -10.423 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 39 19.779 -8.574 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.915 -9.905 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.155 -6.699 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 39 22.927 -9.925 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE A 39 21.827 -5.348 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 39 24.598 -8.579 -5.138 1.00 0.00 H new ATOM 0 HZ PHE A 39 24.052 -6.286 -5.850 1.00 0.00 H new ATOM 621 N ASN A 40 18.221 -10.998 -2.339 1.00 0.00 N ATOM 622 CA ASN A 40 17.641 -12.070 -1.535 1.00 0.00 C ATOM 623 C ASN A 40 16.239 -12.434 -2.020 1.00 0.00 C ATOM 624 O ASN A 40 16.001 -13.561 -2.452 1.00 0.00 O ATOM 625 CB ASN A 40 17.605 -11.674 -0.057 1.00 0.00 C ATOM 626 CG ASN A 40 17.091 -10.265 0.160 1.00 0.00 C ATOM 627 OD1 ASN A 40 15.890 -10.044 0.316 1.00 0.00 O ATOM 628 ND2 ASN A 40 18.005 -9.302 0.176 1.00 0.00 N ATOM 0 H ASN A 40 18.021 -10.057 -1.999 1.00 0.00 H new ATOM 0 HA ASN A 40 18.275 -12.949 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.972 -12.375 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 40 18.608 -11.759 0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.722 -8.333 0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.990 -9.531 0.042 1.00 0.00 H new ATOM 635 N GLY A 41 15.317 -11.480 -1.947 1.00 0.00 N ATOM 636 CA GLY A 41 13.955 -11.736 -2.385 1.00 0.00 C ATOM 637 C GLY A 41 12.923 -11.405 -1.326 1.00 0.00 C ATOM 638 O GLY A 41 13.249 -10.833 -0.286 1.00 0.00 O ATOM 0 H GLY A 41 15.486 -10.538 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.750 -11.149 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.859 -12.786 -2.663 1.00 0.00 H new ATOM 642 N GLN A 42 11.674 -11.771 -1.596 1.00 0.00 N ATOM 643 CA GLN A 42 10.581 -11.516 -0.666 1.00 0.00 C ATOM 644 C GLN A 42 10.426 -12.676 0.315 1.00 0.00 C ATOM 645 O GLN A 42 9.666 -12.589 1.279 1.00 0.00 O ATOM 646 CB GLN A 42 9.273 -11.299 -1.430 1.00 0.00 C ATOM 647 CG GLN A 42 9.321 -10.126 -2.397 1.00 0.00 C ATOM 648 CD GLN A 42 7.988 -9.863 -3.072 1.00 0.00 C ATOM 649 OE1 GLN A 42 7.664 -8.723 -3.407 1.00 0.00 O ATOM 650 NE2 GLN A 42 7.207 -10.918 -3.282 1.00 0.00 N ATOM 0 H GLN A 42 11.394 -12.246 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 42 10.816 -10.613 -0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.030 -12.206 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.467 -11.137 -0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.633 -9.231 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.076 -10.320 -3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.513 -11.846 -2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.301 -10.800 -3.736 1.00 0.00 H new ATOM 659 N ASP A 43 11.153 -13.760 0.058 1.00 0.00 N ATOM 660 CA ASP A 43 11.096 -14.941 0.914 1.00 0.00 C ATOM 661 C ASP A 43 12.286 -14.975 1.869 1.00 0.00 C ATOM 662 O ASP A 43 12.491 -15.952 2.589 1.00 0.00 O ATOM 663 CB ASP A 43 11.070 -16.210 0.057 1.00 0.00 C ATOM 664 CG ASP A 43 10.797 -17.460 0.871 1.00 0.00 C ATOM 665 OD1 ASP A 43 9.629 -17.669 1.263 1.00 0.00 O ATOM 666 OD2 ASP A 43 11.749 -18.230 1.116 1.00 0.00 O ATOM 0 H ASP A 43 11.788 -13.845 -0.736 1.00 0.00 H new ATOM 0 HA ASP A 43 10.183 -14.893 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.305 -16.108 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.026 -16.317 -0.456 1.00 0.00 H new ATOM 671 N SER A 44 13.064 -13.897 1.872 1.00 0.00 N ATOM 672 CA SER A 44 14.234 -13.795 2.738 1.00 0.00 C ATOM 673 C SER A 44 13.818 -13.688 4.203 1.00 0.00 C ATOM 674 O SER A 44 12.771 -14.204 4.600 1.00 0.00 O ATOM 675 CB SER A 44 15.076 -12.581 2.338 1.00 0.00 C ATOM 676 OG SER A 44 14.340 -11.379 2.485 1.00 0.00 O ATOM 0 H SER A 44 12.905 -13.080 1.283 1.00 0.00 H new ATOM 0 HA SER A 44 14.831 -14.699 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.974 -12.539 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.403 -12.686 1.304 1.00 0.00 H new ATOM 0 HG SER A 44 14.657 -10.719 1.833 1.00 0.00 H new ATOM 682 N GLU A 45 14.642 -13.019 5.006 1.00 0.00 N ATOM 683 CA GLU A 45 14.355 -12.846 6.427 1.00 0.00 C ATOM 684 C GLU A 45 13.314 -11.749 6.651 1.00 0.00 C ATOM 685 O GLU A 45 13.407 -10.983 7.612 1.00 0.00 O ATOM 686 CB GLU A 45 15.639 -12.510 7.190 1.00 0.00 C ATOM 687 CG GLU A 45 16.709 -13.583 7.086 1.00 0.00 C ATOM 688 CD GLU A 45 16.252 -14.921 7.633 1.00 0.00 C ATOM 689 OE1 GLU A 45 16.407 -15.148 8.852 1.00 0.00 O ATOM 690 OE2 GLU A 45 15.739 -15.741 6.843 1.00 0.00 O ATOM 0 H GLU A 45 15.513 -12.588 4.697 1.00 0.00 H new ATOM 0 HA GLU A 45 13.949 -13.785 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.041 -11.570 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.396 -12.352 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.998 -13.702 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.597 -13.258 7.628 1.00 0.00 H new ATOM 697 N LYS A 46 12.327 -11.680 5.758 1.00 0.00 N ATOM 698 CA LYS A 46 11.263 -10.688 5.855 1.00 0.00 C ATOM 699 C LYS A 46 11.812 -9.274 5.714 1.00 0.00 C ATOM 700 O LYS A 46 12.237 -8.658 6.692 1.00 0.00 O ATOM 701 CB LYS A 46 10.510 -10.830 7.178 1.00 0.00 C ATOM 702 CG LYS A 46 9.821 -12.173 7.340 1.00 0.00 C ATOM 703 CD LYS A 46 8.694 -12.351 6.335 1.00 0.00 C ATOM 704 CE LYS A 46 8.035 -13.713 6.477 1.00 0.00 C ATOM 705 NZ LYS A 46 6.945 -13.907 5.483 1.00 0.00 N ATOM 0 H LYS A 46 12.245 -12.304 4.956 1.00 0.00 H new ATOM 0 HA LYS A 46 10.569 -10.868 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.209 -10.687 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.765 -10.037 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.550 -12.974 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.424 -12.259 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.949 -11.568 6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.085 -12.238 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.785 -14.494 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.631 -13.818 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.521 -14.848 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.217 -13.177 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.335 -13.832 4.522 1.00 0.00 H new ATOM 719 N CYS A 47 11.804 -8.773 4.485 1.00 0.00 N ATOM 720 CA CYS A 47 12.294 -7.429 4.201 1.00 0.00 C ATOM 721 C CYS A 47 11.170 -6.406 4.336 1.00 0.00 C ATOM 722 O CYS A 47 11.203 -5.345 3.712 1.00 0.00 O ATOM 723 CB CYS A 47 12.887 -7.370 2.791 1.00 0.00 C ATOM 724 SG CYS A 47 11.712 -7.776 1.478 1.00 0.00 S ATOM 0 H CYS A 47 11.463 -9.278 3.667 1.00 0.00 H new ATOM 0 HA CYS A 47 13.072 -7.188 4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 47 13.280 -6.369 2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.731 -8.058 2.734 1.00 0.00 H new ATOM 0 HG CYS A 47 12.306 -7.696 0.324 1.00 0.00 H new ATOM 730 N LYS A 48 10.178 -6.731 5.161 1.00 0.00 N ATOM 731 CA LYS A 48 9.040 -5.844 5.379 1.00 0.00 C ATOM 732 C LYS A 48 9.478 -4.529 6.016 1.00 0.00 C ATOM 733 O LYS A 48 8.693 -3.585 6.104 1.00 0.00 O ATOM 734 CB LYS A 48 7.997 -6.521 6.268 1.00 0.00 C ATOM 735 CG LYS A 48 7.331 -7.727 5.626 1.00 0.00 C ATOM 736 CD LYS A 48 6.270 -8.327 6.538 1.00 0.00 C ATOM 737 CE LYS A 48 5.090 -7.384 6.719 1.00 0.00 C ATOM 738 NZ LYS A 48 4.351 -7.168 5.444 1.00 0.00 N ATOM 0 H LYS A 48 10.140 -7.603 5.689 1.00 0.00 H new ATOM 0 HA LYS A 48 8.599 -5.628 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.473 -6.833 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.230 -5.792 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.876 -7.433 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.084 -8.481 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.921 -9.271 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.709 -8.552 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.411 -7.792 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.446 -6.426 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.426 -6.738 5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.899 -6.535 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.211 -8.081 4.965 1.00 0.00 H new ATOM 752 N GLU A 49 10.729 -4.471 6.463 1.00 0.00 N ATOM 753 CA GLU A 49 11.260 -3.266 7.092 1.00 0.00 C ATOM 754 C GLU A 49 11.117 -2.061 6.166 1.00 0.00 C ATOM 755 O GLU A 49 10.756 -0.970 6.603 1.00 0.00 O ATOM 756 CB GLU A 49 12.730 -3.465 7.471 1.00 0.00 C ATOM 757 CG GLU A 49 13.324 -2.294 8.237 1.00 0.00 C ATOM 758 CD GLU A 49 14.792 -2.491 8.560 1.00 0.00 C ATOM 759 OE1 GLU A 49 15.093 -3.149 9.577 1.00 0.00 O ATOM 760 OE2 GLU A 49 15.640 -1.988 7.793 1.00 0.00 O ATOM 0 H GLU A 49 11.393 -5.243 6.402 1.00 0.00 H new ATOM 0 HA GLU A 49 10.684 -3.075 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.822 -4.368 8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.312 -3.628 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.204 -1.383 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.768 -2.152 9.164 1.00 0.00 H new ATOM 767 N PHE A 50 11.399 -2.271 4.884 1.00 0.00 N ATOM 768 CA PHE A 50 11.302 -1.203 3.895 1.00 0.00 C ATOM 769 C PHE A 50 9.848 -0.823 3.640 1.00 0.00 C ATOM 770 O PHE A 50 9.536 0.340 3.384 1.00 0.00 O ATOM 771 CB PHE A 50 11.963 -1.631 2.585 1.00 0.00 C ATOM 772 CG PHE A 50 13.408 -2.013 2.743 1.00 0.00 C ATOM 773 CD1 PHE A 50 14.398 -1.046 2.710 1.00 0.00 C ATOM 774 CD2 PHE A 50 13.772 -3.337 2.925 1.00 0.00 C ATOM 775 CE1 PHE A 50 15.728 -1.393 2.857 1.00 0.00 C ATOM 776 CE2 PHE A 50 15.100 -3.689 3.072 1.00 0.00 C ATOM 777 CZ PHE A 50 16.079 -2.716 3.038 1.00 0.00 C ATOM 0 H PHE A 50 11.696 -3.170 4.506 1.00 0.00 H new ATOM 0 HA PHE A 50 11.822 -0.331 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.415 -2.476 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.887 -0.816 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.129 -0.010 2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 50 13.010 -4.102 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.492 -0.630 2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.372 -4.725 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.118 -2.989 3.153 1.00 0.00 H new ATOM 787 N ILE A 51 8.962 -1.812 3.706 1.00 0.00 N ATOM 788 CA ILE A 51 7.539 -1.579 3.480 1.00 0.00 C ATOM 789 C ILE A 51 6.943 -0.722 4.593 1.00 0.00 C ATOM 790 O ILE A 51 6.327 0.312 4.331 1.00 0.00 O ATOM 791 CB ILE A 51 6.761 -2.907 3.389 1.00 0.00 C ATOM 792 CG1 ILE A 51 7.377 -3.811 2.318 1.00 0.00 C ATOM 793 CG2 ILE A 51 5.293 -2.638 3.084 1.00 0.00 C ATOM 794 CD1 ILE A 51 6.783 -5.203 2.278 1.00 0.00 C ATOM 0 H ILE A 51 9.203 -2.781 3.914 1.00 0.00 H new ATOM 0 HA ILE A 51 7.447 -1.051 2.531 1.00 0.00 H new ATOM 0 HB ILE A 51 6.826 -3.418 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.248 -3.343 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.450 -3.889 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.755 -3.584 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.863 -2.027 3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.210 -2.111 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.270 -5.784 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.936 -5.692 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.715 -5.137 2.070 1.00 0.00 H new ATOM 806 N GLU A 52 7.132 -1.157 5.836 1.00 0.00 N ATOM 807 CA GLU A 52 6.615 -0.430 6.988 1.00 0.00 C ATOM 808 C GLU A 52 7.205 0.974 7.051 1.00 0.00 C ATOM 809 O GLU A 52 6.483 1.950 7.258 1.00 0.00 O ATOM 810 CB GLU A 52 6.931 -1.186 8.280 1.00 0.00 C ATOM 811 CG GLU A 52 6.277 -2.556 8.356 1.00 0.00 C ATOM 812 CD GLU A 52 6.639 -3.308 9.622 1.00 0.00 C ATOM 813 OE1 GLU A 52 6.084 -2.974 10.690 1.00 0.00 O ATOM 814 OE2 GLU A 52 7.474 -4.233 9.544 1.00 0.00 O ATOM 0 H GLU A 52 7.640 -2.010 6.070 1.00 0.00 H new ATOM 0 HA GLU A 52 5.534 -0.348 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.011 -1.302 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.604 -0.588 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.194 -2.441 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.577 -3.146 7.490 1.00 0.00 H new ATOM 821 N LYS A 53 8.519 1.068 6.870 1.00 0.00 N ATOM 822 CA LYS A 53 9.206 2.356 6.900 1.00 0.00 C ATOM 823 C LYS A 53 8.630 3.288 5.841 1.00 0.00 C ATOM 824 O LYS A 53 8.418 4.476 6.089 1.00 0.00 O ATOM 825 CB LYS A 53 10.706 2.162 6.673 1.00 0.00 C ATOM 826 CG LYS A 53 11.505 3.456 6.701 1.00 0.00 C ATOM 827 CD LYS A 53 12.989 3.195 6.499 1.00 0.00 C ATOM 828 CE LYS A 53 13.786 4.489 6.470 1.00 0.00 C ATOM 829 NZ LYS A 53 13.368 5.375 5.348 1.00 0.00 N ATOM 0 H LYS A 53 9.129 0.268 6.701 1.00 0.00 H new ATOM 0 HA LYS A 53 9.056 2.807 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.095 1.489 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.858 1.673 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.142 4.126 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.349 3.961 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.359 2.557 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.140 2.653 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.657 5.016 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.847 4.259 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.101 6.094 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.238 4.807 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.472 5.844 5.591 1.00 0.00 H new ATOM 843 N TYR A 54 8.376 2.736 4.657 1.00 0.00 N ATOM 844 CA TYR A 54 7.808 3.508 3.560 1.00 0.00 C ATOM 845 C TYR A 54 6.495 4.145 3.997 1.00 0.00 C ATOM 846 O TYR A 54 6.318 5.360 3.903 1.00 0.00 O ATOM 847 CB TYR A 54 7.578 2.609 2.344 1.00 0.00 C ATOM 848 CG TYR A 54 7.005 3.332 1.144 1.00 0.00 C ATOM 849 CD1 TYR A 54 7.832 4.009 0.258 1.00 0.00 C ATOM 850 CD2 TYR A 54 5.637 3.336 0.899 1.00 0.00 C ATOM 851 CE1 TYR A 54 7.314 4.669 -0.841 1.00 0.00 C ATOM 852 CE2 TYR A 54 5.111 3.995 -0.198 1.00 0.00 C ATOM 853 CZ TYR A 54 5.954 4.658 -1.063 1.00 0.00 C ATOM 854 OH TYR A 54 5.433 5.315 -2.155 1.00 0.00 O ATOM 0 H TYR A 54 8.555 1.757 4.435 1.00 0.00 H new ATOM 0 HA TYR A 54 8.509 4.296 3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.525 2.149 2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.903 1.801 2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.898 4.020 0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.974 2.817 1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.971 5.190 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.046 3.990 -0.375 1.00 0.00 H new ATOM 0 HH TYR A 54 6.059 5.249 -2.906 1.00 0.00 H new ATOM 864 N LYS A 55 5.583 3.309 4.482 1.00 0.00 N ATOM 865 CA LYS A 55 4.285 3.776 4.948 1.00 0.00 C ATOM 866 C LYS A 55 4.453 4.868 5.999 1.00 0.00 C ATOM 867 O LYS A 55 3.782 5.898 5.947 1.00 0.00 O ATOM 868 CB LYS A 55 3.482 2.608 5.524 1.00 0.00 C ATOM 869 CG LYS A 55 3.240 1.490 4.523 1.00 0.00 C ATOM 870 CD LYS A 55 2.625 0.264 5.183 1.00 0.00 C ATOM 871 CE LYS A 55 1.261 0.571 5.781 1.00 0.00 C ATOM 872 NZ LYS A 55 0.328 1.146 4.773 1.00 0.00 N ATOM 0 H LYS A 55 5.721 2.302 4.562 1.00 0.00 H new ATOM 0 HA LYS A 55 3.743 4.195 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.010 2.204 6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.522 2.979 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.580 1.847 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.183 1.214 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.528 -0.535 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.291 -0.101 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.832 -0.342 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.377 1.271 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.635 1.168 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.627 2.113 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.340 0.559 3.914 1.00 0.00 H new ATOM 886 N GLU A 56 5.358 4.635 6.948 1.00 0.00 N ATOM 887 CA GLU A 56 5.624 5.603 8.006 1.00 0.00 C ATOM 888 C GLU A 56 6.001 6.952 7.410 1.00 0.00 C ATOM 889 O GLU A 56 5.648 8.002 7.948 1.00 0.00 O ATOM 890 CB GLU A 56 6.745 5.103 8.919 1.00 0.00 C ATOM 891 CG GLU A 56 6.355 3.896 9.756 1.00 0.00 C ATOM 892 CD GLU A 56 5.258 4.210 10.753 1.00 0.00 C ATOM 893 OE1 GLU A 56 4.070 4.099 10.384 1.00 0.00 O ATOM 894 OE2 GLU A 56 5.587 4.565 11.904 1.00 0.00 O ATOM 0 H GLU A 56 5.918 3.784 7.004 1.00 0.00 H new ATOM 0 HA GLU A 56 4.716 5.722 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.612 4.847 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.050 5.912 9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.024 3.093 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.232 3.529 10.289 1.00 0.00 H new ATOM 901 N CYS A 57 6.721 6.915 6.292 1.00 0.00 N ATOM 902 CA CYS A 57 7.141 8.132 5.613 1.00 0.00 C ATOM 903 C CYS A 57 5.985 8.722 4.810 1.00 0.00 C ATOM 904 O CYS A 57 5.963 9.918 4.522 1.00 0.00 O ATOM 905 CB CYS A 57 8.328 7.846 4.691 1.00 0.00 C ATOM 906 SG CYS A 57 8.961 9.303 3.828 1.00 0.00 S ATOM 0 H CYS A 57 7.025 6.053 5.839 1.00 0.00 H new ATOM 0 HA CYS A 57 7.449 8.857 6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 57 9.134 7.407 5.279 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.030 7.101 3.953 1.00 0.00 H new ATOM 0 HG CYS A 57 8.024 10.201 3.748 1.00 0.00 H new ATOM 912 N MET A 58 5.029 7.869 4.451 1.00 0.00 N ATOM 913 CA MET A 58 3.864 8.301 3.682 1.00 0.00 C ATOM 914 C MET A 58 2.936 9.179 4.518 1.00 0.00 C ATOM 915 O MET A 58 2.661 10.322 4.151 1.00 0.00 O ATOM 916 CB MET A 58 3.095 7.090 3.153 1.00 0.00 C ATOM 917 CG MET A 58 3.865 6.272 2.128 1.00 0.00 C ATOM 918 SD MET A 58 4.216 7.189 0.613 1.00 0.00 S ATOM 919 CE MET A 58 5.826 7.879 0.988 1.00 0.00 C ATOM 0 H MET A 58 5.038 6.875 4.680 1.00 0.00 H new ATOM 0 HA MET A 58 4.226 8.893 2.841 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.829 6.446 3.991 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.162 7.432 2.704 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.804 5.937 2.569 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.293 5.378 1.881 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.773 8.967 0.950 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.133 7.566 1.986 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.553 7.525 0.257 1.00 0.00 H new ATOM 929 N LYS A 59 2.449 8.646 5.636 1.00 0.00 N ATOM 930 CA LYS A 59 1.549 9.405 6.500 1.00 0.00 C ATOM 931 C LYS A 59 2.325 10.382 7.378 1.00 0.00 C ATOM 932 O LYS A 59 1.753 11.323 7.929 1.00 0.00 O ATOM 933 CB LYS A 59 0.701 8.467 7.366 1.00 0.00 C ATOM 934 CG LYS A 59 1.375 8.028 8.655 1.00 0.00 C ATOM 935 CD LYS A 59 2.387 6.919 8.416 1.00 0.00 C ATOM 936 CE LYS A 59 1.703 5.596 8.105 1.00 0.00 C ATOM 937 NZ LYS A 59 0.792 5.168 9.202 1.00 0.00 N ATOM 0 H LYS A 59 2.659 7.703 5.962 1.00 0.00 H new ATOM 0 HA LYS A 59 0.881 9.979 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.236 8.966 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.448 7.582 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.874 8.882 9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.619 7.684 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.041 7.194 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.018 6.805 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.136 5.690 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.458 4.827 7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.641 4.141 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.218 5.406 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.120 5.658 9.107 1.00 0.00 H new ATOM 951 N GLY A 60 3.626 10.150 7.505 1.00 0.00 N ATOM 952 CA GLY A 60 4.460 11.019 8.316 1.00 0.00 C ATOM 953 C GLY A 60 4.980 12.212 7.538 1.00 0.00 C ATOM 954 O GLY A 60 6.104 12.188 7.036 1.00 0.00 O ATOM 0 H GLY A 60 4.119 9.375 7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.887 11.370 9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.302 10.448 8.707 1.00 0.00 H new ATOM 958 N TYR A 61 4.158 13.254 7.439 1.00 0.00 N ATOM 959 CA TYR A 61 4.533 14.468 6.718 1.00 0.00 C ATOM 960 C TYR A 61 4.836 14.162 5.252 1.00 0.00 C ATOM 961 O TYR A 61 5.454 14.965 4.552 1.00 0.00 O ATOM 962 CB TYR A 61 5.746 15.127 7.386 1.00 0.00 C ATOM 963 CG TYR A 61 5.999 16.551 6.935 1.00 0.00 C ATOM 964 CD1 TYR A 61 5.120 17.573 7.273 1.00 0.00 C ATOM 965 CD2 TYR A 61 7.118 16.873 6.177 1.00 0.00 C ATOM 966 CE1 TYR A 61 5.348 18.874 6.865 1.00 0.00 C ATOM 967 CE2 TYR A 61 7.353 18.171 5.765 1.00 0.00 C ATOM 968 CZ TYR A 61 6.466 19.167 6.112 1.00 0.00 C ATOM 969 OH TYR A 61 6.696 20.461 5.705 1.00 0.00 O ATOM 0 H TYR A 61 3.225 13.282 7.850 1.00 0.00 H new ATOM 0 HA TYR A 61 3.691 15.159 6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.602 15.119 8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.633 14.528 7.178 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.245 17.347 7.864 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.816 16.095 5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.654 19.657 7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.227 18.404 5.174 1.00 0.00 H new ATOM 0 HH TYR A 61 7.526 20.498 5.185 1.00 0.00 H new ATOM 979 N GLY A 62 4.387 12.998 4.789 1.00 0.00 N ATOM 980 CA GLY A 62 4.621 12.608 3.410 1.00 0.00 C ATOM 981 C GLY A 62 3.926 13.524 2.421 1.00 0.00 C ATOM 982 O GLY A 62 4.470 14.560 2.040 1.00 0.00 O ATOM 0 H GLY A 62 3.866 12.319 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.693 12.611 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.272 11.586 3.261 1.00 0.00 H new ATOM 986 N PHE A 63 2.721 13.143 2.006 1.00 0.00 N ATOM 987 CA PHE A 63 1.954 13.941 1.055 1.00 0.00 C ATOM 988 C PHE A 63 0.495 13.505 1.031 1.00 0.00 C ATOM 989 O PHE A 63 -0.398 14.256 1.425 1.00 0.00 O ATOM 990 CB PHE A 63 2.560 13.824 -0.346 1.00 0.00 C ATOM 991 CG PHE A 63 1.971 14.784 -1.341 1.00 0.00 C ATOM 992 CD1 PHE A 63 2.262 16.137 -1.271 1.00 0.00 C ATOM 993 CD2 PHE A 63 1.129 14.335 -2.346 1.00 0.00 C ATOM 994 CE1 PHE A 63 1.724 17.024 -2.183 1.00 0.00 C ATOM 995 CE2 PHE A 63 0.588 15.217 -3.261 1.00 0.00 C ATOM 996 CZ PHE A 63 0.885 16.564 -3.180 1.00 0.00 C ATOM 0 H PHE A 63 2.256 12.289 2.313 1.00 0.00 H new ATOM 0 HA PHE A 63 1.996 14.982 1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.635 13.994 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.419 12.806 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.917 16.502 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.893 13.283 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.959 18.076 -2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.067 14.854 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.463 17.255 -3.894 1.00 0.00 H new ATOM 1006 N GLU A 64 0.267 12.287 0.564 1.00 0.00 N ATOM 1007 CA GLU A 64 -1.081 11.732 0.484 1.00 0.00 C ATOM 1008 C GLU A 64 -1.040 10.217 0.296 1.00 0.00 C ATOM 1009 O GLU A 64 -0.422 9.714 -0.643 1.00 0.00 O ATOM 1010 CB GLU A 64 -1.853 12.383 -0.666 1.00 0.00 C ATOM 1011 CG GLU A 64 -3.284 11.884 -0.800 1.00 0.00 C ATOM 1012 CD GLU A 64 -4.140 12.244 0.397 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -4.143 11.471 1.378 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -4.807 13.300 0.355 1.00 0.00 O ATOM 0 H GLU A 64 1.000 11.659 0.233 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.592 11.946 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.866 13.463 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.323 12.196 -1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.729 12.306 -1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.277 10.801 -0.925 1.00 0.00 H new ATOM 1021 N VAL A 65 -1.704 9.498 1.196 1.00 0.00 N ATOM 1022 CA VAL A 65 -1.751 8.041 1.136 1.00 0.00 C ATOM 1023 C VAL A 65 -2.957 7.508 1.919 1.00 0.00 C ATOM 1024 O VAL A 65 -3.410 8.144 2.870 1.00 0.00 O ATOM 1025 CB VAL A 65 -0.437 7.419 1.675 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -0.697 6.432 2.807 1.00 0.00 C ATOM 1027 CG2 VAL A 65 0.331 6.747 0.547 1.00 0.00 C ATOM 0 H VAL A 65 -2.219 9.903 1.978 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.859 7.751 0.091 1.00 0.00 H new ATOM 0 HB VAL A 65 0.167 8.229 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.250 6.020 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.194 6.945 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.334 5.624 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.251 6.315 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.282 5.959 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.575 7.485 -0.217 1.00 0.00 H new ATOM 1037 N PRO A 66 -3.492 6.332 1.531 1.00 0.00 N ATOM 1038 CA PRO A 66 -4.646 5.728 2.194 1.00 0.00 C ATOM 1039 C PRO A 66 -4.254 4.979 3.464 1.00 0.00 C ATOM 1040 O PRO A 66 -3.450 4.048 3.423 1.00 0.00 O ATOM 1041 CB PRO A 66 -5.201 4.750 1.143 1.00 0.00 C ATOM 1042 CG PRO A 66 -4.303 4.867 -0.053 1.00 0.00 C ATOM 1043 CD PRO A 66 -3.026 5.486 0.432 1.00 0.00 C ATOM 0 HA PRO A 66 -5.368 6.479 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.208 3.730 1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.230 5.000 0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.116 3.888 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.764 5.483 -0.825 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.312 4.735 0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.533 6.066 -0.348 1.00 0.00 H new ATOM 1051 N SER A 67 -4.828 5.393 4.589 1.00 0.00 N ATOM 1052 CA SER A 67 -4.539 4.762 5.871 1.00 0.00 C ATOM 1053 C SER A 67 -5.580 5.151 6.915 1.00 0.00 C ATOM 1054 O SER A 67 -5.737 6.328 7.243 1.00 0.00 O ATOM 1055 CB SER A 67 -3.141 5.153 6.355 1.00 0.00 C ATOM 1056 OG SER A 67 -2.837 4.534 7.594 1.00 0.00 O ATOM 0 H SER A 67 -5.496 6.162 4.639 1.00 0.00 H new ATOM 0 HA SER A 67 -4.576 3.682 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.401 4.864 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.080 6.236 6.461 1.00 0.00 H new ATOM 0 HG SER A 67 -1.938 4.799 7.880 1.00 0.00 H new ATOM 1062 N ALA A 68 -6.289 4.153 7.433 1.00 0.00 N ATOM 1063 CA ALA A 68 -7.316 4.385 8.439 1.00 0.00 C ATOM 1064 C ALA A 68 -6.844 3.941 9.819 1.00 0.00 C ATOM 1065 O ALA A 68 -5.701 3.512 9.983 1.00 0.00 O ATOM 1066 CB ALA A 68 -8.598 3.658 8.059 1.00 0.00 C ATOM 0 H ALA A 68 -6.170 3.174 7.171 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.515 5.456 8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.358 3.839 8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.953 4.025 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.403 2.588 7.989 1.00 0.00 H new ATOM 1072 N ASN A 69 -7.731 4.046 10.805 1.00 0.00 N ATOM 1073 CA ASN A 69 -7.409 3.655 12.176 1.00 0.00 C ATOM 1074 C ASN A 69 -6.199 4.426 12.695 1.00 0.00 C ATOM 1075 O ASN A 69 -6.395 5.519 13.265 1.00 0.00 O ATOM 1076 CB ASN A 69 -7.144 2.149 12.251 1.00 0.00 C ATOM 1077 CG ASN A 69 -6.824 1.681 13.660 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -6.045 0.748 13.851 1.00 0.00 O ATOM 1079 ND2 ASN A 69 -7.429 2.324 14.652 1.00 0.00 N ATOM 1080 OXT ASN A 69 -5.066 3.929 12.529 1.00 0.00 O ATOM 0 H ASN A 69 -8.680 4.399 10.681 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.265 3.897 12.806 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.018 1.611 11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.314 1.897 11.591 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.255 2.049 15.619 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.068 3.092 14.447 1.00 0.00 H new TER 1087 ASN A 69 HETATM 1088 CU CU1 A 70 5.345 6.947 -5.210 1.00 0.00 CU