USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 378 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 2 LYS NZ :NH3+ -112:sc= -1.99 (180deg=-4.95!) USER MOD Set 1.2: A 54 THR OG1 : rot 150:sc= 0.066 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 LYS NZ :NH3+ 177:sc= 0.207 (180deg=0.203) USER MOD Single : A 1 LYS N :NH3+ -158:sc= -0.619 (180deg=-1.47!) USER MOD Single : A 1 LYS NZ :NH3+ -108:sc= -0.872 (180deg=-2.04!) USER MOD Single : A 5 TYR OH : rot 64:sc= -0.843 USER MOD Single : A 9 SER OG : rot 180:sc= 0.112 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00427) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0859 F(o=-0.91,f=-0.086) USER MOD Single : A 30 LYS NZ :NH3+ -126:sc= -1.62 (180deg=-3.18!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 134:sc= 1.44 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 50:sc= -2.84! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -89:sc= 0.332 USER MOD Single : A 51 ASN : amide:sc= -2.17! C(o=-2.2!,f=-8.7!) USER MOD Single : A 52 SER OG : rot -140:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.797 13.446 2.498 1.00 0.00 N ATOM 2 CA LYS A 1 4.569 12.032 2.082 1.00 0.00 C ATOM 3 C LYS A 1 3.867 11.274 3.209 1.00 0.00 C ATOM 4 O LYS A 1 3.426 11.857 4.179 1.00 0.00 O ATOM 5 CB LYS A 1 5.909 11.365 1.783 1.00 0.00 C ATOM 6 CG LYS A 1 6.509 11.967 0.512 1.00 0.00 C ATOM 7 CD LYS A 1 7.497 13.073 0.889 1.00 0.00 C ATOM 8 CE LYS A 1 8.654 12.472 1.689 1.00 0.00 C ATOM 9 NZ LYS A 1 8.497 12.821 3.128 1.00 0.00 N ATOM 0 H1 LYS A 1 4.917 14.041 1.654 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.979 13.783 3.046 1.00 0.00 H new ATOM 0 H3 LYS A 1 5.653 13.501 3.085 1.00 0.00 H new ATOM 0 HA LYS A 1 3.946 12.015 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.592 11.505 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.772 10.291 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.015 11.194 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.718 12.371 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.876 13.559 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.994 13.840 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.671 11.389 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.605 12.850 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.211 13.529 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.547 13.211 3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.623 11.967 3.708 1.00 0.00 H new ATOM 25 N LYS A 2 3.756 9.979 3.090 1.00 0.00 N ATOM 26 CA LYS A 2 3.078 9.200 4.162 1.00 0.00 C ATOM 27 C LYS A 2 3.254 7.697 3.917 1.00 0.00 C ATOM 28 O LYS A 2 3.285 7.236 2.793 1.00 0.00 O ATOM 29 CB LYS A 2 1.589 9.546 4.169 1.00 0.00 C ATOM 30 CG LYS A 2 0.842 8.574 5.084 1.00 0.00 C ATOM 31 CD LYS A 2 0.008 7.614 4.235 1.00 0.00 C ATOM 32 CE LYS A 2 -1.139 8.383 3.576 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.099 8.168 2.103 1.00 0.00 N ATOM 0 H LYS A 2 4.103 9.431 2.303 1.00 0.00 H new ATOM 0 HA LYS A 2 3.522 9.454 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.445 10.570 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.187 9.491 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.551 8.015 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.197 9.125 5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.633 7.148 3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.388 6.811 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.095 8.046 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.055 9.446 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.846 9.058 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.390 7.442 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.034 7.853 1.773 1.00 0.00 H new ATOM 47 N ASP A 3 3.355 6.932 4.969 1.00 0.00 N ATOM 48 CA ASP A 3 3.513 5.459 4.826 1.00 0.00 C ATOM 49 C ASP A 3 2.123 4.816 4.894 1.00 0.00 C ATOM 50 O ASP A 3 1.284 5.238 5.665 1.00 0.00 O ATOM 51 CB ASP A 3 4.363 4.944 5.988 1.00 0.00 C ATOM 52 CG ASP A 3 5.403 6.000 6.370 1.00 0.00 C ATOM 53 OD1 ASP A 3 5.745 6.802 5.517 1.00 0.00 O ATOM 54 OD2 ASP A 3 5.841 5.987 7.509 1.00 0.00 O ATOM 0 H ASP A 3 3.334 7.269 5.931 1.00 0.00 H new ATOM 0 HA ASP A 3 3.994 5.213 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.728 4.718 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.859 4.016 5.705 1.00 0.00 H new ATOM 59 N GLY A 4 1.857 3.805 4.111 1.00 0.00 N ATOM 60 CA GLY A 4 0.502 3.180 4.183 1.00 0.00 C ATOM 61 C GLY A 4 0.299 2.172 3.051 1.00 0.00 C ATOM 62 O GLY A 4 1.175 1.938 2.240 1.00 0.00 O ATOM 0 H GLY A 4 2.502 3.391 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.379 2.681 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.263 3.955 4.126 1.00 0.00 H new ATOM 66 N TYR A 5 -0.867 1.580 2.996 1.00 0.00 N ATOM 67 CA TYR A 5 -1.166 0.589 1.924 1.00 0.00 C ATOM 68 C TYR A 5 -1.842 1.315 0.755 1.00 0.00 C ATOM 69 O TYR A 5 -2.971 1.738 0.872 1.00 0.00 O ATOM 70 CB TYR A 5 -2.132 -0.473 2.459 1.00 0.00 C ATOM 71 CG TYR A 5 -1.495 -1.241 3.594 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.341 -1.999 3.367 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.071 -1.209 4.870 1.00 0.00 C ATOM 74 CE1 TYR A 5 0.239 -2.724 4.415 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.493 -1.935 5.917 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.338 -2.693 5.690 1.00 0.00 C ATOM 77 OH TYR A 5 0.230 -3.411 6.722 1.00 0.00 O ATOM 0 H TYR A 5 -1.629 1.744 3.654 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.240 0.115 1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.050 0.002 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.409 -1.158 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.103 -2.025 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.962 -0.624 5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.131 -3.307 4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.938 -1.911 6.901 1.00 0.00 H new ATOM 0 HH TYR A 5 1.123 -3.056 6.914 1.00 0.00 H new ATOM 87 N PRO A 6 -1.145 1.440 -0.341 1.00 0.00 N ATOM 88 CA PRO A 6 -1.691 2.117 -1.528 1.00 0.00 C ATOM 89 C PRO A 6 -2.977 1.422 -1.989 1.00 0.00 C ATOM 90 O PRO A 6 -2.974 0.249 -2.321 1.00 0.00 O ATOM 91 CB PRO A 6 -0.590 1.996 -2.590 1.00 0.00 C ATOM 92 CG PRO A 6 0.616 1.271 -1.937 1.00 0.00 C ATOM 93 CD PRO A 6 0.225 0.922 -0.492 1.00 0.00 C ATOM 0 HA PRO A 6 -1.953 3.157 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.951 1.437 -3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.295 2.982 -2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.867 0.368 -2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.499 1.910 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.263 -0.154 -0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.904 1.384 0.225 1.00 0.00 H new ATOM 101 N VAL A 7 -4.079 2.132 -2.008 1.00 0.00 N ATOM 102 CA VAL A 7 -5.357 1.503 -2.446 1.00 0.00 C ATOM 103 C VAL A 7 -5.816 2.133 -3.764 1.00 0.00 C ATOM 104 O VAL A 7 -5.710 3.327 -3.962 1.00 0.00 O ATOM 105 CB VAL A 7 -6.432 1.709 -1.378 1.00 0.00 C ATOM 106 CG1 VAL A 7 -5.981 1.056 -0.072 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.659 3.205 -1.147 1.00 0.00 C ATOM 0 H VAL A 7 -4.146 3.114 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.197 0.435 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.363 1.254 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.746 1.202 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.827 -0.011 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.047 1.511 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.426 3.343 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.729 3.667 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.983 3.672 -2.077 1.00 0.00 H new ATOM 117 N ASP A 8 -6.325 1.339 -4.670 1.00 0.00 N ATOM 118 CA ASP A 8 -6.785 1.896 -5.975 1.00 0.00 C ATOM 119 C ASP A 8 -7.895 2.926 -5.736 1.00 0.00 C ATOM 120 O ASP A 8 -8.051 3.442 -4.647 1.00 0.00 O ATOM 121 CB ASP A 8 -7.312 0.762 -6.862 1.00 0.00 C ATOM 122 CG ASP A 8 -8.613 0.210 -6.276 1.00 0.00 C ATOM 123 OD1 ASP A 8 -8.685 0.078 -5.067 1.00 0.00 O ATOM 124 OD2 ASP A 8 -9.515 -0.070 -7.048 1.00 0.00 O ATOM 0 H ASP A 8 -6.441 0.331 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.947 2.383 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.485 1.129 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.569 -0.032 -6.934 1.00 0.00 H new ATOM 129 N SER A 9 -8.663 3.233 -6.749 1.00 0.00 N ATOM 130 CA SER A 9 -9.758 4.237 -6.588 1.00 0.00 C ATOM 131 C SER A 9 -10.950 3.609 -5.857 1.00 0.00 C ATOM 132 O SER A 9 -11.994 4.217 -5.722 1.00 0.00 O ATOM 133 CB SER A 9 -10.212 4.719 -7.965 1.00 0.00 C ATOM 134 OG SER A 9 -10.056 3.666 -8.905 1.00 0.00 O ATOM 0 H SER A 9 -8.579 2.831 -7.683 1.00 0.00 H new ATOM 0 HA SER A 9 -9.383 5.078 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.254 5.036 -7.927 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.626 5.585 -8.271 1.00 0.00 H new ATOM 0 HG SER A 9 -10.348 3.971 -9.789 1.00 0.00 H new ATOM 140 N GLY A 10 -10.806 2.405 -5.379 1.00 0.00 N ATOM 141 CA GLY A 10 -11.929 1.750 -4.654 1.00 0.00 C ATOM 142 C GLY A 10 -11.531 1.536 -3.193 1.00 0.00 C ATOM 143 O GLY A 10 -12.288 1.005 -2.405 1.00 0.00 O ATOM 0 H GLY A 10 -9.957 1.845 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.825 2.369 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.171 0.795 -5.121 1.00 0.00 H new ATOM 147 N ASN A 11 -10.346 1.947 -2.826 1.00 0.00 N ATOM 148 CA ASN A 11 -9.893 1.768 -1.419 1.00 0.00 C ATOM 149 C ASN A 11 -9.476 0.318 -1.202 1.00 0.00 C ATOM 150 O ASN A 11 -9.727 -0.270 -0.169 1.00 0.00 O ATOM 151 CB ASN A 11 -11.032 2.126 -0.462 1.00 0.00 C ATOM 152 CG ASN A 11 -10.534 3.142 0.565 1.00 0.00 C ATOM 153 OD1 ASN A 11 -10.129 4.231 0.212 1.00 0.00 O ATOM 154 ND2 ASN A 11 -10.549 2.830 1.829 1.00 0.00 N ATOM 0 H ASN A 11 -9.672 2.400 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.043 2.423 -1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.873 2.538 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.393 1.230 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.220 3.501 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.889 1.915 2.124 1.00 0.00 H new ATOM 161 N CYS A 12 -8.836 -0.258 -2.175 1.00 0.00 N ATOM 162 CA CYS A 12 -8.389 -1.662 -2.054 1.00 0.00 C ATOM 163 C CYS A 12 -6.859 -1.704 -2.074 1.00 0.00 C ATOM 164 O CYS A 12 -6.231 -1.456 -3.084 1.00 0.00 O ATOM 165 CB CYS A 12 -8.950 -2.448 -3.233 1.00 0.00 C ATOM 166 SG CYS A 12 -10.754 -2.534 -3.086 1.00 0.00 S ATOM 0 H CYS A 12 -8.602 0.193 -3.059 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.743 -2.099 -1.120 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.672 -1.968 -4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.526 -3.452 -3.251 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.240 -3.201 -4.090 1.00 0.00 H new ATOM 171 N LYS A 13 -6.259 -2.003 -0.955 1.00 0.00 N ATOM 172 CA LYS A 13 -4.768 -2.052 -0.879 1.00 0.00 C ATOM 173 C LYS A 13 -4.223 -3.184 -1.756 1.00 0.00 C ATOM 174 O LYS A 13 -4.797 -4.252 -1.831 1.00 0.00 O ATOM 175 CB LYS A 13 -4.359 -2.308 0.573 1.00 0.00 C ATOM 176 CG LYS A 13 -5.060 -3.572 1.083 1.00 0.00 C ATOM 177 CD LYS A 13 -6.221 -3.183 2.002 1.00 0.00 C ATOM 178 CE LYS A 13 -6.373 -4.230 3.108 1.00 0.00 C ATOM 179 NZ LYS A 13 -7.785 -4.711 3.150 1.00 0.00 N ATOM 0 H LYS A 13 -6.740 -2.218 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.361 -1.105 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.278 -2.425 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.628 -1.454 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.430 -4.159 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.351 -4.200 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.039 -2.201 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.144 -3.110 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.698 -5.067 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.096 -3.800 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.843 -5.566 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.392 -3.970 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.105 -4.932 2.186 1.00 0.00 H new ATOM 193 N TYR A 14 -3.104 -2.968 -2.405 1.00 0.00 N ATOM 194 CA TYR A 14 -2.524 -4.055 -3.251 1.00 0.00 C ATOM 195 C TYR A 14 -1.820 -5.063 -2.342 1.00 0.00 C ATOM 196 O TYR A 14 -1.110 -4.699 -1.429 1.00 0.00 O ATOM 197 CB TYR A 14 -1.517 -3.477 -4.254 1.00 0.00 C ATOM 198 CG TYR A 14 -2.147 -2.308 -4.972 1.00 0.00 C ATOM 199 CD1 TYR A 14 -3.515 -2.331 -5.271 1.00 0.00 C ATOM 200 CD2 TYR A 14 -1.369 -1.206 -5.345 1.00 0.00 C ATOM 201 CE1 TYR A 14 -4.105 -1.253 -5.941 1.00 0.00 C ATOM 202 CE2 TYR A 14 -1.959 -0.128 -6.016 1.00 0.00 C ATOM 203 CZ TYR A 14 -3.327 -0.151 -6.313 1.00 0.00 C ATOM 204 OH TYR A 14 -3.907 0.911 -6.976 1.00 0.00 O ATOM 0 H TYR A 14 -2.574 -2.097 -2.386 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.324 -4.543 -3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.613 -3.157 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.220 -4.242 -4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.115 -3.182 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.314 -1.187 -5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.160 -1.272 -6.171 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.358 0.722 -6.305 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.227 1.593 -7.159 1.00 0.00 H new ATOM 214 N GLU A 15 -2.023 -6.328 -2.577 1.00 0.00 N ATOM 215 CA GLU A 15 -1.381 -7.366 -1.718 1.00 0.00 C ATOM 216 C GLU A 15 0.144 -7.263 -1.798 1.00 0.00 C ATOM 217 O GLU A 15 0.687 -6.400 -2.458 1.00 0.00 O ATOM 218 CB GLU A 15 -1.809 -8.748 -2.200 1.00 0.00 C ATOM 219 CG GLU A 15 -1.860 -8.765 -3.728 1.00 0.00 C ATOM 220 CD GLU A 15 -1.808 -10.210 -4.224 1.00 0.00 C ATOM 221 OE1 GLU A 15 -1.051 -10.982 -3.662 1.00 0.00 O ATOM 222 OE2 GLU A 15 -2.528 -10.520 -5.159 1.00 0.00 O ATOM 0 H GLU A 15 -2.608 -6.691 -3.329 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.693 -7.209 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.109 -9.502 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.787 -9.000 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.773 -8.282 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.023 -8.199 -4.137 1.00 0.00 H new ATOM 229 N CYS A 16 0.836 -8.151 -1.131 1.00 0.00 N ATOM 230 CA CYS A 16 2.324 -8.121 -1.168 1.00 0.00 C ATOM 231 C CYS A 16 2.876 -9.516 -0.853 1.00 0.00 C ATOM 232 O CYS A 16 2.161 -10.390 -0.407 1.00 0.00 O ATOM 233 CB CYS A 16 2.855 -7.118 -0.139 1.00 0.00 C ATOM 234 SG CYS A 16 2.659 -7.770 1.536 1.00 0.00 S ATOM 0 H CYS A 16 0.432 -8.895 -0.563 1.00 0.00 H new ATOM 0 HA CYS A 16 2.647 -7.817 -2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.907 -6.910 -0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.320 -6.173 -0.233 1.00 0.00 H new ATOM 239 N LEU A 17 4.144 -9.727 -1.080 1.00 0.00 N ATOM 240 CA LEU A 17 4.746 -11.061 -0.791 1.00 0.00 C ATOM 241 C LEU A 17 6.221 -10.882 -0.433 1.00 0.00 C ATOM 242 O LEU A 17 6.668 -11.284 0.623 1.00 0.00 O ATOM 243 CB LEU A 17 4.636 -11.956 -2.029 1.00 0.00 C ATOM 244 CG LEU A 17 3.166 -12.161 -2.390 1.00 0.00 C ATOM 245 CD1 LEU A 17 3.069 -12.933 -3.705 1.00 0.00 C ATOM 246 CD2 LEU A 17 2.478 -12.960 -1.283 1.00 0.00 C ATOM 0 H LEU A 17 4.791 -9.032 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 17 4.215 -11.524 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.166 -11.501 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.110 -12.918 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 17 2.679 -11.192 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.021 -13.080 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.562 -12.368 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.555 -13.902 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.429 -13.107 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.965 -13.929 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.549 -12.414 -0.342 1.00 0.00 H new ATOM 258 N LYS A 18 6.978 -10.282 -1.309 1.00 0.00 N ATOM 259 CA LYS A 18 8.424 -10.076 -1.028 1.00 0.00 C ATOM 260 C LYS A 18 8.684 -8.596 -0.748 1.00 0.00 C ATOM 261 O LYS A 18 8.051 -7.726 -1.311 1.00 0.00 O ATOM 262 CB LYS A 18 9.244 -10.510 -2.244 1.00 0.00 C ATOM 263 CG LYS A 18 10.233 -11.603 -1.833 1.00 0.00 C ATOM 264 CD LYS A 18 9.809 -12.936 -2.451 1.00 0.00 C ATOM 265 CE LYS A 18 10.609 -14.071 -1.810 1.00 0.00 C ATOM 266 NZ LYS A 18 9.977 -14.451 -0.516 1.00 0.00 N ATOM 0 H LYS A 18 6.656 -9.925 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 18 8.712 -10.668 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.583 -10.880 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.781 -9.656 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.238 -11.341 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.266 -11.688 -0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.742 -13.097 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.978 -12.920 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.641 -14.931 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.640 -13.757 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.698 -14.850 0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.555 -13.609 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.236 -15.160 -0.687 1.00 0.00 H new ATOM 280 N ASP A 19 9.619 -8.306 0.113 1.00 0.00 N ATOM 281 CA ASP A 19 9.928 -6.883 0.422 1.00 0.00 C ATOM 282 C ASP A 19 10.203 -6.136 -0.885 1.00 0.00 C ATOM 283 O ASP A 19 9.879 -4.974 -1.028 1.00 0.00 O ATOM 284 CB ASP A 19 11.166 -6.818 1.319 1.00 0.00 C ATOM 285 CG ASP A 19 11.542 -5.357 1.575 1.00 0.00 C ATOM 286 OD1 ASP A 19 10.829 -4.490 1.099 1.00 0.00 O ATOM 287 OD2 ASP A 19 12.537 -5.132 2.244 1.00 0.00 O ATOM 0 H ASP A 19 10.182 -8.992 0.615 1.00 0.00 H new ATOM 0 HA ASP A 19 9.084 -6.423 0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.969 -7.324 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.998 -7.340 0.846 1.00 0.00 H new ATOM 292 N ASP A 20 10.803 -6.798 -1.838 1.00 0.00 N ATOM 293 CA ASP A 20 11.110 -6.147 -3.132 1.00 0.00 C ATOM 294 C ASP A 20 9.812 -5.910 -3.917 1.00 0.00 C ATOM 295 O ASP A 20 9.661 -4.906 -4.583 1.00 0.00 O ATOM 296 CB ASP A 20 12.060 -7.063 -3.911 1.00 0.00 C ATOM 297 CG ASP A 20 11.271 -8.089 -4.732 1.00 0.00 C ATOM 298 OD1 ASP A 20 10.873 -7.756 -5.836 1.00 0.00 O ATOM 299 OD2 ASP A 20 11.085 -9.190 -4.242 1.00 0.00 O ATOM 0 H ASP A 20 11.094 -7.773 -1.768 1.00 0.00 H new ATOM 0 HA ASP A 20 11.585 -5.179 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.688 -6.466 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.726 -7.578 -3.219 1.00 0.00 H new ATOM 304 N TYR A 21 8.870 -6.816 -3.846 1.00 0.00 N ATOM 305 CA TYR A 21 7.599 -6.600 -4.592 1.00 0.00 C ATOM 306 C TYR A 21 6.996 -5.272 -4.143 1.00 0.00 C ATOM 307 O TYR A 21 6.324 -4.595 -4.896 1.00 0.00 O ATOM 308 CB TYR A 21 6.607 -7.728 -4.290 1.00 0.00 C ATOM 309 CG TYR A 21 5.231 -7.330 -4.786 1.00 0.00 C ATOM 310 CD1 TYR A 21 5.088 -6.693 -6.026 1.00 0.00 C ATOM 311 CD2 TYR A 21 4.099 -7.591 -4.004 1.00 0.00 C ATOM 312 CE1 TYR A 21 3.819 -6.318 -6.481 1.00 0.00 C ATOM 313 CE2 TYR A 21 2.828 -7.217 -4.461 1.00 0.00 C ATOM 314 CZ TYR A 21 2.689 -6.580 -5.700 1.00 0.00 C ATOM 315 OH TYR A 21 1.439 -6.207 -6.149 1.00 0.00 O ATOM 0 H TYR A 21 8.926 -7.683 -3.311 1.00 0.00 H new ATOM 0 HA TYR A 21 7.803 -6.588 -5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.928 -8.650 -4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.577 -7.925 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.959 -6.491 -6.632 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.206 -8.081 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.712 -5.826 -7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.956 -7.420 -3.857 1.00 0.00 H new ATOM 0 HH TYR A 21 0.764 -6.463 -5.487 1.00 0.00 H new ATOM 325 N CYS A 22 7.230 -4.899 -2.916 1.00 0.00 N ATOM 326 CA CYS A 22 6.669 -3.619 -2.410 1.00 0.00 C ATOM 327 C CYS A 22 7.561 -2.461 -2.834 1.00 0.00 C ATOM 328 O CYS A 22 7.143 -1.601 -3.556 1.00 0.00 O ATOM 329 CB CYS A 22 6.574 -3.664 -0.889 1.00 0.00 C ATOM 330 SG CYS A 22 5.460 -5.002 -0.408 1.00 0.00 S ATOM 0 H CYS A 22 7.786 -5.426 -2.243 1.00 0.00 H new ATOM 0 HA CYS A 22 5.673 -3.475 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.561 -3.822 -0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.206 -2.712 -0.507 1.00 0.00 H new ATOM 335 N ASN A 23 8.791 -2.436 -2.414 1.00 0.00 N ATOM 336 CA ASN A 23 9.695 -1.325 -2.824 1.00 0.00 C ATOM 337 C ASN A 23 9.421 -0.999 -4.285 1.00 0.00 C ATOM 338 O ASN A 23 9.457 0.135 -4.718 1.00 0.00 O ATOM 339 CB ASN A 23 11.122 -1.818 -2.679 1.00 0.00 C ATOM 340 CG ASN A 23 12.082 -0.639 -2.702 1.00 0.00 C ATOM 341 OD1 ASN A 23 11.877 0.334 -1.879 1.00 0.00 O flip ATOM 342 ND2 ASN A 23 13.019 -0.606 -3.474 1.00 0.00 N flip ATOM 0 H ASN A 23 9.212 -3.136 -1.804 1.00 0.00 H new ATOM 0 HA ASN A 23 9.535 -0.437 -2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.232 -2.370 -1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.361 -2.509 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.174 -1.379 -4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.651 0.195 -3.475 1.00 0.00 H new ATOM 349 N ASP A 24 9.113 -2.015 -5.024 1.00 0.00 N ATOM 350 CA ASP A 24 8.783 -1.836 -6.468 1.00 0.00 C ATOM 351 C ASP A 24 7.410 -1.156 -6.581 1.00 0.00 C ATOM 352 O ASP A 24 7.309 0.023 -6.855 1.00 0.00 O ATOM 353 CB ASP A 24 8.731 -3.204 -7.151 1.00 0.00 C ATOM 354 CG ASP A 24 8.524 -3.015 -8.654 1.00 0.00 C ATOM 355 OD1 ASP A 24 8.511 -1.876 -9.091 1.00 0.00 O ATOM 356 OD2 ASP A 24 8.379 -4.012 -9.342 1.00 0.00 O ATOM 0 H ASP A 24 9.073 -2.979 -4.692 1.00 0.00 H new ATOM 0 HA ASP A 24 9.543 -1.221 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.656 -3.750 -6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.920 -3.800 -6.733 1.00 0.00 H new ATOM 361 N LEU A 25 6.354 -1.894 -6.353 1.00 0.00 N ATOM 362 CA LEU A 25 4.982 -1.300 -6.423 1.00 0.00 C ATOM 363 C LEU A 25 5.002 0.047 -5.691 1.00 0.00 C ATOM 364 O LEU A 25 4.706 1.085 -6.245 1.00 0.00 O ATOM 365 CB LEU A 25 3.997 -2.264 -5.740 1.00 0.00 C ATOM 366 CG LEU A 25 2.633 -1.596 -5.529 1.00 0.00 C ATOM 367 CD1 LEU A 25 1.568 -2.347 -6.336 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.261 -1.655 -4.042 1.00 0.00 C ATOM 0 H LEU A 25 6.382 -2.887 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 25 4.673 -1.145 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.877 -3.160 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.402 -2.584 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 25 2.684 -0.558 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.598 -1.873 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.827 -2.319 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.521 -3.383 -6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.292 -1.180 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.210 -2.695 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.017 -1.131 -3.457 1.00 0.00 H new ATOM 380 N CYS A 26 5.382 0.014 -4.449 1.00 0.00 N ATOM 381 CA CYS A 26 5.487 1.231 -3.620 1.00 0.00 C ATOM 382 C CYS A 26 6.201 2.325 -4.408 1.00 0.00 C ATOM 383 O CYS A 26 5.805 3.473 -4.404 1.00 0.00 O ATOM 384 CB CYS A 26 6.323 0.852 -2.392 1.00 0.00 C ATOM 385 SG CYS A 26 5.311 -0.093 -1.221 1.00 0.00 S ATOM 0 H CYS A 26 5.633 -0.845 -3.959 1.00 0.00 H new ATOM 0 HA CYS A 26 4.503 1.601 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.187 0.262 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.706 1.752 -1.911 1.00 0.00 H new ATOM 390 N LEU A 27 7.260 1.974 -5.077 1.00 0.00 N ATOM 391 CA LEU A 27 8.018 2.986 -5.861 1.00 0.00 C ATOM 392 C LEU A 27 7.118 3.576 -6.949 1.00 0.00 C ATOM 393 O LEU A 27 7.160 4.757 -7.227 1.00 0.00 O ATOM 394 CB LEU A 27 9.245 2.337 -6.502 1.00 0.00 C ATOM 395 CG LEU A 27 10.461 2.572 -5.607 1.00 0.00 C ATOM 396 CD1 LEU A 27 11.574 1.600 -5.995 1.00 0.00 C ATOM 397 CD2 LEU A 27 10.955 4.011 -5.783 1.00 0.00 C ATOM 0 H LEU A 27 7.635 1.026 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 27 8.345 3.783 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.078 1.268 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.420 2.759 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 27 10.183 2.409 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.442 1.767 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.223 0.576 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.853 1.763 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.822 4.179 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.233 4.175 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.161 4.705 -5.506 1.00 0.00 H new ATOM 409 N GLU A 28 6.307 2.762 -7.568 1.00 0.00 N ATOM 410 CA GLU A 28 5.405 3.275 -8.631 1.00 0.00 C ATOM 411 C GLU A 28 4.362 4.201 -8.005 1.00 0.00 C ATOM 412 O GLU A 28 3.812 5.070 -8.652 1.00 0.00 O ATOM 413 CB GLU A 28 4.701 2.101 -9.321 1.00 0.00 C ATOM 414 CG GLU A 28 5.510 1.658 -10.545 1.00 0.00 C ATOM 415 CD GLU A 28 5.165 2.548 -11.742 1.00 0.00 C ATOM 416 OE1 GLU A 28 4.028 2.501 -12.183 1.00 0.00 O ATOM 417 OE2 GLU A 28 6.045 3.260 -12.198 1.00 0.00 O ATOM 0 H GLU A 28 6.232 1.762 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 28 5.988 3.827 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.593 1.270 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.696 2.395 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.577 1.720 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.292 0.616 -10.779 1.00 0.00 H new ATOM 424 N ARG A 29 4.090 4.015 -6.747 1.00 0.00 N ATOM 425 CA ARG A 29 3.089 4.867 -6.059 1.00 0.00 C ATOM 426 C ARG A 29 3.777 6.113 -5.486 1.00 0.00 C ATOM 427 O ARG A 29 3.162 6.918 -4.816 1.00 0.00 O ATOM 428 CB ARG A 29 2.433 4.069 -4.931 1.00 0.00 C ATOM 429 CG ARG A 29 1.007 3.691 -5.338 1.00 0.00 C ATOM 430 CD ARG A 29 0.970 2.233 -5.797 1.00 0.00 C ATOM 431 NE ARG A 29 0.757 2.175 -7.279 1.00 0.00 N ATOM 432 CZ ARG A 29 -0.193 2.865 -7.857 1.00 0.00 C ATOM 433 NH1 ARG A 29 -1.099 3.484 -7.146 1.00 0.00 N ATOM 434 NH2 ARG A 29 -0.273 2.886 -9.160 1.00 0.00 N ATOM 0 H ARG A 29 4.523 3.302 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 29 2.325 5.179 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.013 3.170 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.417 4.659 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.329 3.835 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.663 4.344 -6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.903 1.735 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.169 1.700 -5.284 1.00 0.00 H new ATOM 0 HE ARG A 29 1.364 1.586 -7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.071 3.433 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.834 4.018 -7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.402 2.367 -9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.011 3.422 -9.617 1.00 0.00 H new ATOM 448 N LYS A 30 5.049 6.266 -5.752 1.00 0.00 N ATOM 449 CA LYS A 30 5.809 7.451 -5.245 1.00 0.00 C ATOM 450 C LYS A 30 6.321 7.174 -3.835 1.00 0.00 C ATOM 451 O LYS A 30 6.172 7.983 -2.941 1.00 0.00 O ATOM 452 CB LYS A 30 4.913 8.692 -5.218 1.00 0.00 C ATOM 453 CG LYS A 30 5.784 9.952 -5.255 1.00 0.00 C ATOM 454 CD LYS A 30 6.130 10.388 -3.826 1.00 0.00 C ATOM 455 CE LYS A 30 6.322 11.906 -3.790 1.00 0.00 C ATOM 456 NZ LYS A 30 5.943 12.425 -2.446 1.00 0.00 N ATOM 0 H LYS A 30 5.601 5.612 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 30 6.650 7.632 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.233 8.682 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.297 8.689 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.698 9.757 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.257 10.754 -5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.334 10.095 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.039 9.887 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.360 12.157 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.711 12.378 -4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.237 13.181 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.540 11.653 -1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.786 12.803 -1.969 1.00 0.00 H new ATOM 470 N ALA A 31 6.933 6.046 -3.623 1.00 0.00 N ATOM 471 CA ALA A 31 7.457 5.743 -2.268 1.00 0.00 C ATOM 472 C ALA A 31 8.970 5.602 -2.331 1.00 0.00 C ATOM 473 O ALA A 31 9.524 5.100 -3.288 1.00 0.00 O ATOM 474 CB ALA A 31 6.857 4.440 -1.750 1.00 0.00 C ATOM 0 H ALA A 31 7.092 5.324 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 31 7.185 6.556 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.249 4.229 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.772 4.534 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.120 3.625 -2.424 1.00 0.00 H new ATOM 480 N ASP A 32 9.638 6.035 -1.310 1.00 0.00 N ATOM 481 CA ASP A 32 11.102 5.931 -1.277 1.00 0.00 C ATOM 482 C ASP A 32 11.471 4.532 -0.807 1.00 0.00 C ATOM 483 O ASP A 32 12.421 3.929 -1.267 1.00 0.00 O ATOM 484 CB ASP A 32 11.629 6.955 -0.285 1.00 0.00 C ATOM 485 CG ASP A 32 12.963 7.514 -0.779 1.00 0.00 C ATOM 486 OD1 ASP A 32 13.751 6.740 -1.299 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.173 8.707 -0.635 1.00 0.00 O ATOM 0 H ASP A 32 9.219 6.463 -0.485 1.00 0.00 H new ATOM 0 HA ASP A 32 11.530 6.115 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.908 7.763 -0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.758 6.494 0.694 1.00 0.00 H new ATOM 492 N LYS A 33 10.713 4.018 0.118 1.00 0.00 N ATOM 493 CA LYS A 33 10.992 2.657 0.649 1.00 0.00 C ATOM 494 C LYS A 33 9.680 2.013 1.094 1.00 0.00 C ATOM 495 O LYS A 33 8.826 2.661 1.661 1.00 0.00 O ATOM 496 CB LYS A 33 11.951 2.747 1.847 1.00 0.00 C ATOM 497 CG LYS A 33 11.865 4.128 2.517 1.00 0.00 C ATOM 498 CD LYS A 33 11.494 3.957 3.991 1.00 0.00 C ATOM 499 CE LYS A 33 12.510 4.694 4.866 1.00 0.00 C ATOM 500 NZ LYS A 33 11.799 5.384 5.981 1.00 0.00 N ATOM 0 H LYS A 33 9.906 4.485 0.532 1.00 0.00 H new ATOM 0 HA LYS A 33 11.454 2.053 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.707 1.971 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.973 2.563 1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.820 4.647 2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.120 4.743 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.493 4.348 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.475 2.899 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.239 3.990 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.062 5.420 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.490 5.885 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.119 6.067 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.292 4.682 6.556 1.00 0.00 H new ATOM 514 N GLY A 34 9.509 0.743 0.839 1.00 0.00 N ATOM 515 CA GLY A 34 8.245 0.066 1.252 1.00 0.00 C ATOM 516 C GLY A 34 8.466 -1.450 1.296 1.00 0.00 C ATOM 517 O GLY A 34 9.192 -2.002 0.494 1.00 0.00 O ATOM 0 H GLY A 34 10.187 0.147 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.930 0.427 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.445 0.307 0.552 1.00 0.00 H new ATOM 521 N TYR A 35 7.840 -2.133 2.220 1.00 0.00 N ATOM 522 CA TYR A 35 8.020 -3.613 2.291 1.00 0.00 C ATOM 523 C TYR A 35 6.669 -4.306 2.221 1.00 0.00 C ATOM 524 O TYR A 35 5.651 -3.695 1.979 1.00 0.00 O ATOM 525 CB TYR A 35 8.697 -4.012 3.601 1.00 0.00 C ATOM 526 CG TYR A 35 7.775 -3.732 4.767 1.00 0.00 C ATOM 527 CD1 TYR A 35 7.522 -2.414 5.164 1.00 0.00 C ATOM 528 CD2 TYR A 35 7.178 -4.795 5.456 1.00 0.00 C ATOM 529 CE1 TYR A 35 6.673 -2.162 6.249 1.00 0.00 C ATOM 530 CE2 TYR A 35 6.331 -4.543 6.540 1.00 0.00 C ATOM 531 CZ TYR A 35 6.078 -3.226 6.937 1.00 0.00 C ATOM 532 OH TYR A 35 5.244 -2.978 8.009 1.00 0.00 O ATOM 0 H TYR A 35 7.217 -1.734 2.922 1.00 0.00 H new ATOM 0 HA TYR A 35 8.644 -3.915 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.956 -5.070 3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.628 -3.458 3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.981 -1.592 4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.372 -5.812 5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.477 -1.145 6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.873 -5.365 7.070 1.00 0.00 H new ATOM 0 HH TYR A 35 4.436 -3.527 7.929 1.00 0.00 H new ATOM 542 N CYS A 36 6.670 -5.590 2.422 1.00 0.00 N ATOM 543 CA CYS A 36 5.408 -6.373 2.362 1.00 0.00 C ATOM 544 C CYS A 36 4.900 -6.680 3.768 1.00 0.00 C ATOM 545 O CYS A 36 5.377 -7.585 4.423 1.00 0.00 O ATOM 546 CB CYS A 36 5.710 -7.680 1.642 1.00 0.00 C ATOM 547 SG CYS A 36 4.337 -8.855 1.835 1.00 0.00 S ATOM 0 H CYS A 36 7.504 -6.139 2.629 1.00 0.00 H new ATOM 0 HA CYS A 36 4.642 -5.802 1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.882 -7.486 0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.626 -8.116 2.039 1.00 0.00 H new ATOM 552 N TYR A 37 3.916 -5.963 4.233 1.00 0.00 N ATOM 553 CA TYR A 37 3.382 -6.268 5.583 1.00 0.00 C ATOM 554 C TYR A 37 2.321 -7.357 5.442 1.00 0.00 C ATOM 555 O TYR A 37 1.200 -7.103 5.016 1.00 0.00 O ATOM 556 CB TYR A 37 2.763 -5.024 6.224 1.00 0.00 C ATOM 557 CG TYR A 37 2.711 -5.211 7.729 1.00 0.00 C ATOM 558 CD1 TYR A 37 2.912 -6.483 8.290 1.00 0.00 C ATOM 559 CD2 TYR A 37 2.463 -4.115 8.563 1.00 0.00 C ATOM 560 CE1 TYR A 37 2.865 -6.655 9.677 1.00 0.00 C ATOM 561 CE2 TYR A 37 2.416 -4.289 9.953 1.00 0.00 C ATOM 562 CZ TYR A 37 2.617 -5.559 10.509 1.00 0.00 C ATOM 563 OH TYR A 37 2.572 -5.728 11.879 1.00 0.00 O ATOM 0 H TYR A 37 3.465 -5.190 3.743 1.00 0.00 H new ATOM 0 HA TYR A 37 4.196 -6.604 6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.352 -4.141 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.760 -4.859 5.831 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.103 -7.330 7.648 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.308 -3.135 8.136 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.020 -7.634 10.105 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.225 -3.443 10.596 1.00 0.00 H new ATOM 0 HH TYR A 37 2.391 -4.866 12.309 1.00 0.00 H new ATOM 573 N TRP A 38 2.679 -8.571 5.782 1.00 0.00 N ATOM 574 CA TRP A 38 1.721 -9.702 5.667 1.00 0.00 C ATOM 575 C TRP A 38 0.529 -9.448 6.591 1.00 0.00 C ATOM 576 O TRP A 38 -0.334 -8.668 6.269 1.00 0.00 O ATOM 577 CB TRP A 38 2.420 -11.013 6.047 1.00 0.00 C ATOM 578 CG TRP A 38 2.828 -11.737 4.807 1.00 0.00 C ATOM 579 CD1 TRP A 38 4.104 -11.990 4.436 1.00 0.00 C ATOM 580 CD2 TRP A 38 1.978 -12.309 3.773 1.00 0.00 C ATOM 581 NE1 TRP A 38 4.091 -12.686 3.241 1.00 0.00 N ATOM 582 CE2 TRP A 38 2.803 -12.905 2.791 1.00 0.00 C ATOM 583 CE3 TRP A 38 0.583 -12.368 3.594 1.00 0.00 C ATOM 584 CZ2 TRP A 38 2.264 -13.539 1.672 1.00 0.00 C ATOM 585 CZ3 TRP A 38 0.037 -13.004 2.467 1.00 0.00 C ATOM 586 CH2 TRP A 38 0.876 -13.588 1.508 1.00 0.00 C ATOM 0 H TRP A 38 3.602 -8.823 6.136 1.00 0.00 H new ATOM 0 HA TRP A 38 1.366 -9.782 4.639 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.294 -10.806 6.664 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.751 -11.636 6.641 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.988 -11.697 4.983 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.929 -12.999 2.752 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.072 -11.921 4.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 2.914 -13.989 0.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.035 -13.043 2.339 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.451 -14.075 0.643 1.00 0.00 H new ATOM 642 N SER A 42 -1.108 -5.749 3.093 1.00 0.00 N ATOM 643 CA SER A 42 -0.656 -5.449 1.696 1.00 0.00 C ATOM 644 C SER A 42 0.798 -4.963 1.649 1.00 0.00 C ATOM 645 O SER A 42 1.543 -5.059 2.606 1.00 0.00 O ATOM 646 CB SER A 42 -1.568 -4.376 1.104 1.00 0.00 C ATOM 647 OG SER A 42 -2.592 -5.006 0.343 1.00 0.00 O ATOM 0 HA SER A 42 -0.712 -6.371 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.007 -3.774 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.992 -3.699 0.473 1.00 0.00 H new ATOM 0 HG SER A 42 -3.009 -5.713 0.878 1.00 0.00 H new ATOM 653 N CYS A 43 1.186 -4.425 0.516 1.00 0.00 N ATOM 654 CA CYS A 43 2.570 -3.900 0.337 1.00 0.00 C ATOM 655 C CYS A 43 2.704 -2.553 1.052 1.00 0.00 C ATOM 656 O CYS A 43 2.227 -1.541 0.579 1.00 0.00 O ATOM 657 CB CYS A 43 2.833 -3.684 -1.158 1.00 0.00 C ATOM 658 SG CYS A 43 3.980 -4.936 -1.782 1.00 0.00 S ATOM 0 H CYS A 43 0.588 -4.328 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 43 3.283 -4.613 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.894 -3.734 -1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.247 -2.689 -1.321 1.00 0.00 H new ATOM 663 N TYR A 44 3.347 -2.528 2.181 1.00 0.00 N ATOM 664 CA TYR A 44 3.504 -1.243 2.916 1.00 0.00 C ATOM 665 C TYR A 44 4.503 -0.337 2.191 1.00 0.00 C ATOM 666 O TYR A 44 5.523 -0.784 1.704 1.00 0.00 O ATOM 667 CB TYR A 44 4.016 -1.529 4.323 1.00 0.00 C ATOM 668 CG TYR A 44 3.563 -0.427 5.239 1.00 0.00 C ATOM 669 CD1 TYR A 44 2.200 -0.216 5.449 1.00 0.00 C ATOM 670 CD2 TYR A 44 4.505 0.383 5.878 1.00 0.00 C ATOM 671 CE1 TYR A 44 1.774 0.804 6.298 1.00 0.00 C ATOM 672 CE2 TYR A 44 4.086 1.405 6.730 1.00 0.00 C ATOM 673 CZ TYR A 44 2.717 1.618 6.943 1.00 0.00 C ATOM 674 OH TYR A 44 2.297 2.624 7.790 1.00 0.00 O ATOM 0 H TYR A 44 3.771 -3.340 2.629 1.00 0.00 H new ATOM 0 HA TYR A 44 2.538 -0.741 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.639 -2.490 4.674 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.104 -1.595 4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.474 -0.844 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.559 0.218 5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.719 0.968 6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.815 2.031 7.224 1.00 0.00 H new ATOM 0 HH TYR A 44 3.077 3.092 8.155 1.00 0.00 H new ATOM 684 N CYS A 45 4.221 0.938 2.128 1.00 0.00 N ATOM 685 CA CYS A 45 5.159 1.878 1.449 1.00 0.00 C ATOM 686 C CYS A 45 5.497 3.033 2.388 1.00 0.00 C ATOM 687 O CYS A 45 4.837 3.263 3.383 1.00 0.00 O ATOM 688 CB CYS A 45 4.513 2.452 0.185 1.00 0.00 C ATOM 689 SG CYS A 45 3.761 1.121 -0.779 1.00 0.00 S ATOM 0 H CYS A 45 3.382 1.368 2.517 1.00 0.00 H new ATOM 0 HA CYS A 45 6.063 1.331 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.757 3.189 0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.262 2.969 -0.415 1.00 0.00 H new ATOM 694 N TYR A 46 6.513 3.768 2.054 1.00 0.00 N ATOM 695 CA TYR A 46 6.923 4.932 2.882 1.00 0.00 C ATOM 696 C TYR A 46 7.309 6.065 1.930 1.00 0.00 C ATOM 697 O TYR A 46 8.351 6.020 1.306 1.00 0.00 O ATOM 698 CB TYR A 46 8.148 4.571 3.726 1.00 0.00 C ATOM 699 CG TYR A 46 7.814 3.512 4.753 1.00 0.00 C ATOM 700 CD1 TYR A 46 7.873 2.158 4.409 1.00 0.00 C ATOM 701 CD2 TYR A 46 7.472 3.882 6.058 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.591 1.180 5.365 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.185 2.903 7.014 1.00 0.00 C ATOM 704 CZ TYR A 46 7.244 1.552 6.668 1.00 0.00 C ATOM 705 OH TYR A 46 6.964 0.586 7.612 1.00 0.00 O ATOM 0 H TYR A 46 7.089 3.610 1.227 1.00 0.00 H new ATOM 0 HA TYR A 46 6.107 5.224 3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.947 4.212 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.522 5.463 4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.137 1.868 3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.430 4.927 6.328 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.641 0.135 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.918 3.192 8.020 1.00 0.00 H new ATOM 0 HH TYR A 46 6.009 0.368 7.584 1.00 0.00 H new ATOM 715 N GLY A 47 6.487 7.071 1.801 1.00 0.00 N ATOM 716 CA GLY A 47 6.829 8.188 0.871 1.00 0.00 C ATOM 717 C GLY A 47 5.628 8.514 -0.024 1.00 0.00 C ATOM 718 O GLY A 47 5.715 9.338 -0.912 1.00 0.00 O ATOM 0 H GLY A 47 5.600 7.169 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.118 9.071 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.686 7.911 0.257 1.00 0.00 H new ATOM 722 N LEU A 48 4.511 7.873 0.196 1.00 0.00 N ATOM 723 CA LEU A 48 3.316 8.148 -0.653 1.00 0.00 C ATOM 724 C LEU A 48 2.809 9.571 -0.394 1.00 0.00 C ATOM 725 O LEU A 48 3.004 10.114 0.674 1.00 0.00 O ATOM 726 CB LEU A 48 2.212 7.142 -0.318 1.00 0.00 C ATOM 727 CG LEU A 48 2.742 5.720 -0.518 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.620 4.713 -0.253 1.00 0.00 C ATOM 729 CD2 LEU A 48 3.241 5.562 -1.956 1.00 0.00 C ATOM 0 H LEU A 48 4.375 7.173 0.925 1.00 0.00 H new ATOM 0 HA LEU A 48 3.591 8.053 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.882 7.277 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.344 7.312 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 48 3.563 5.537 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.998 3.701 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.264 4.826 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.798 4.894 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.619 4.550 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.419 5.745 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.041 6.278 -2.144 1.00 0.00 H new ATOM 741 N PRO A 49 2.167 10.132 -1.387 1.00 0.00 N ATOM 742 CA PRO A 49 1.619 11.495 -1.294 1.00 0.00 C ATOM 743 C PRO A 49 0.632 11.586 -0.129 1.00 0.00 C ATOM 744 O PRO A 49 -0.066 10.642 0.184 1.00 0.00 O ATOM 745 CB PRO A 49 0.907 11.725 -2.635 1.00 0.00 C ATOM 746 CG PRO A 49 1.120 10.458 -3.503 1.00 0.00 C ATOM 747 CD PRO A 49 1.937 9.454 -2.675 1.00 0.00 C ATOM 0 HA PRO A 49 2.389 12.244 -1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.156 11.907 -2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.310 12.605 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.161 10.026 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.645 10.710 -4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.394 8.519 -2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.878 9.208 -3.167 1.00 0.00 H new ATOM 755 N ASP A 50 0.573 12.715 0.518 1.00 0.00 N ATOM 756 CA ASP A 50 -0.353 12.872 1.658 1.00 0.00 C ATOM 757 C ASP A 50 -1.774 12.534 1.220 1.00 0.00 C ATOM 758 O ASP A 50 -2.411 11.647 1.751 1.00 0.00 O ATOM 759 CB ASP A 50 -0.286 14.317 2.142 1.00 0.00 C ATOM 760 CG ASP A 50 0.616 14.403 3.375 1.00 0.00 C ATOM 761 OD1 ASP A 50 1.817 14.524 3.199 1.00 0.00 O ATOM 762 OD2 ASP A 50 0.090 14.345 4.475 1.00 0.00 O ATOM 0 H ASP A 50 1.133 13.539 0.300 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.069 12.198 2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.101 14.959 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.286 14.677 2.384 1.00 0.00 H new ATOM 767 N ASN A 51 -2.273 13.251 0.265 1.00 0.00 N ATOM 768 CA ASN A 51 -3.645 13.016 -0.222 1.00 0.00 C ATOM 769 C ASN A 51 -3.736 11.683 -0.973 1.00 0.00 C ATOM 770 O ASN A 51 -4.799 11.274 -1.394 1.00 0.00 O ATOM 771 CB ASN A 51 -4.026 14.165 -1.153 1.00 0.00 C ATOM 772 CG ASN A 51 -3.342 13.994 -2.511 1.00 0.00 C ATOM 773 OD1 ASN A 51 -2.497 13.136 -2.680 1.00 0.00 O ATOM 774 ND2 ASN A 51 -3.673 14.788 -3.491 1.00 0.00 N ATOM 0 H ASN A 51 -1.776 14.006 -0.208 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.329 12.970 0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.108 14.193 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.734 15.116 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.223 14.690 -4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.382 15.507 -3.347 1.00 0.00 H new ATOM 781 N SER A 52 -2.637 11.003 -1.146 1.00 0.00 N ATOM 782 CA SER A 52 -2.677 9.699 -1.872 1.00 0.00 C ATOM 783 C SER A 52 -3.705 8.774 -1.204 1.00 0.00 C ATOM 784 O SER A 52 -3.548 8.415 -0.054 1.00 0.00 O ATOM 785 CB SER A 52 -1.298 9.042 -1.819 1.00 0.00 C ATOM 786 OG SER A 52 -1.055 8.364 -3.046 1.00 0.00 O ATOM 0 H SER A 52 -1.715 11.291 -0.818 1.00 0.00 H new ATOM 0 HA SER A 52 -2.959 9.871 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.529 9.796 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.248 8.341 -0.986 1.00 0.00 H new ATOM 0 HG SER A 52 -0.607 7.511 -2.865 1.00 0.00 H new ATOM 792 N PRO A 53 -4.729 8.413 -1.943 1.00 0.00 N ATOM 793 CA PRO A 53 -5.790 7.527 -1.430 1.00 0.00 C ATOM 794 C PRO A 53 -5.207 6.207 -0.915 1.00 0.00 C ATOM 795 O PRO A 53 -5.028 5.256 -1.654 1.00 0.00 O ATOM 796 CB PRO A 53 -6.716 7.285 -2.630 1.00 0.00 C ATOM 797 CG PRO A 53 -6.205 8.160 -3.802 1.00 0.00 C ATOM 798 CD PRO A 53 -4.913 8.853 -3.339 1.00 0.00 C ATOM 0 HA PRO A 53 -6.318 7.972 -0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.713 6.231 -2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.744 7.545 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.015 7.547 -4.683 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.956 8.899 -4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.065 8.564 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.001 9.938 -3.404 1.00 0.00 H new ATOM 806 N THR A 54 -4.920 6.141 0.356 1.00 0.00 N ATOM 807 CA THR A 54 -4.366 4.890 0.935 1.00 0.00 C ATOM 808 C THR A 54 -5.347 4.340 1.971 1.00 0.00 C ATOM 809 O THR A 54 -6.238 5.030 2.423 1.00 0.00 O ATOM 810 CB THR A 54 -3.034 5.190 1.619 1.00 0.00 C ATOM 811 OG1 THR A 54 -3.239 6.153 2.643 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.045 5.736 0.594 1.00 0.00 C ATOM 0 H THR A 54 -5.047 6.905 1.020 1.00 0.00 H new ATOM 0 HA THR A 54 -4.213 4.158 0.142 1.00 0.00 H new ATOM 0 HB THR A 54 -2.633 4.275 2.054 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.587 6.011 3.361 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.095 5.950 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.890 4.997 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.442 6.652 0.157 1.00 0.00 H new ATOM 820 N LYS A 55 -5.184 3.103 2.348 1.00 0.00 N ATOM 821 CA LYS A 55 -6.091 2.490 3.357 1.00 0.00 C ATOM 822 C LYS A 55 -6.417 3.506 4.457 1.00 0.00 C ATOM 823 O LYS A 55 -5.638 3.723 5.364 1.00 0.00 O ATOM 824 CB LYS A 55 -5.391 1.285 3.986 1.00 0.00 C ATOM 825 CG LYS A 55 -5.938 -0.004 3.375 1.00 0.00 C ATOM 826 CD LYS A 55 -7.427 -0.122 3.697 1.00 0.00 C ATOM 827 CE LYS A 55 -8.220 -0.245 2.398 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.286 -1.270 2.567 1.00 0.00 N ATOM 0 H LYS A 55 -4.453 2.484 1.996 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.015 2.180 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.316 1.350 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.548 1.283 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.787 -0.001 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.399 -0.865 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.606 -0.992 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.759 0.752 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.662 0.716 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.557 -0.525 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.860 -1.320 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.851 -2.197 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.893 -1.010 3.370 1.00 0.00 H new