USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 453 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 11 ASN : amide:sc= -2.2 K(o=-2,f=-5!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -166:sc= 0.24 (180deg=0.151) USER MOD Set 2.1: A 35 TYR OH : rot 171:sc= 0.972! USER MOD Set 2.2: A 46 TYR OH : rot -28:sc= 1.61! USER MOD Set 3.1: A 2 LYS NZ :NH3+ -138:sc=-0.00987 (180deg=-0.977) USER MOD Set 3.2: A 52 SER OG : rot 160:sc= 0.22 USER MOD Single : A 1 LYS N :NH3+ -154:sc= -0.0656 (180deg=-1.8!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 30:sc= -0.0991 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.437 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.1 USER MOD Single : A 23 ASN : amide:sc= -2.3! C(o=-2.3!,f=-6!) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -2.23! (180deg=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 140:sc= -3.85! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.981 K(o=-0.98,f=-6.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 63:sc= 0.151 USER MOD Single : A 57 SER OG : rot 68:sc= 0.656 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.867 14.178 3.067 1.00 0.00 N ATOM 2 CA LYS A 1 4.168 12.743 2.802 1.00 0.00 C ATOM 3 C LYS A 1 3.821 11.915 4.042 1.00 0.00 C ATOM 4 O LYS A 1 3.676 12.441 5.127 1.00 0.00 O ATOM 5 CB LYS A 1 5.659 12.586 2.489 1.00 0.00 C ATOM 6 CG LYS A 1 6.065 13.601 1.418 1.00 0.00 C ATOM 7 CD LYS A 1 7.586 13.594 1.250 1.00 0.00 C ATOM 8 CE LYS A 1 7.961 12.766 0.019 1.00 0.00 C ATOM 9 NZ LYS A 1 9.402 12.390 0.091 1.00 0.00 N ATOM 0 H1 LYS A 1 3.672 14.663 2.168 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.035 14.249 3.687 1.00 0.00 H new ATOM 0 H3 LYS A 1 4.684 14.624 3.531 1.00 0.00 H new ATOM 0 HA LYS A 1 3.578 12.397 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 1 6.249 12.739 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.864 11.573 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.584 13.357 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.725 14.597 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.955 14.614 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.059 13.177 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.343 11.870 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.769 13.338 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.656 11.827 -0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.984 13.251 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 9.572 11.829 0.950 1.00 0.00 H new ATOM 25 N LYS A 2 3.684 10.626 3.894 1.00 0.00 N ATOM 26 CA LYS A 2 3.347 9.779 5.073 1.00 0.00 C ATOM 27 C LYS A 2 3.458 8.295 4.703 1.00 0.00 C ATOM 28 O LYS A 2 3.471 7.930 3.544 1.00 0.00 O ATOM 29 CB LYS A 2 1.917 10.088 5.518 1.00 0.00 C ATOM 30 CG LYS A 2 0.983 10.005 4.311 1.00 0.00 C ATOM 31 CD LYS A 2 0.763 8.537 3.946 1.00 0.00 C ATOM 32 CE LYS A 2 -0.732 8.280 3.755 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.146 8.741 2.400 1.00 0.00 N ATOM 0 H LYS A 2 3.790 10.124 3.012 1.00 0.00 H new ATOM 0 HA LYS A 2 4.043 9.995 5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.602 9.381 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.869 11.082 5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.030 10.482 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.413 10.542 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.305 8.293 3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.157 7.892 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.947 7.218 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.303 8.806 4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.060 9.233 2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.429 9.391 2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.239 7.921 1.768 1.00 0.00 H new ATOM 47 N ASP A 3 3.531 7.440 5.687 1.00 0.00 N ATOM 48 CA ASP A 3 3.633 5.978 5.424 1.00 0.00 C ATOM 49 C ASP A 3 2.231 5.369 5.556 1.00 0.00 C ATOM 50 O ASP A 3 1.324 6.005 6.055 1.00 0.00 O ATOM 51 CB ASP A 3 4.546 5.355 6.478 1.00 0.00 C ATOM 52 CG ASP A 3 5.566 6.394 6.956 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.337 6.861 6.134 1.00 0.00 O ATOM 54 OD2 ASP A 3 5.559 6.703 8.135 1.00 0.00 O ATOM 0 H ASP A 3 3.524 7.697 6.674 1.00 0.00 H new ATOM 0 HA ASP A 3 4.035 5.793 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.954 4.998 7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.062 4.490 6.061 1.00 0.00 H new ATOM 59 N GLY A 4 2.033 4.148 5.136 1.00 0.00 N ATOM 60 CA GLY A 4 0.671 3.548 5.282 1.00 0.00 C ATOM 61 C GLY A 4 0.421 2.488 4.207 1.00 0.00 C ATOM 62 O GLY A 4 1.302 2.124 3.456 1.00 0.00 O ATOM 0 H GLY A 4 2.738 3.549 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.571 3.099 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.085 4.330 5.209 1.00 0.00 H new ATOM 66 N TYR A 5 -0.789 1.992 4.137 1.00 0.00 N ATOM 67 CA TYR A 5 -1.127 0.955 3.119 1.00 0.00 C ATOM 68 C TYR A 5 -1.811 1.626 1.919 1.00 0.00 C ATOM 69 O TYR A 5 -2.955 2.026 2.015 1.00 0.00 O ATOM 70 CB TYR A 5 -2.100 -0.058 3.728 1.00 0.00 C ATOM 71 CG TYR A 5 -1.475 -0.729 4.929 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.628 -1.827 4.753 1.00 0.00 C ATOM 73 CD2 TYR A 5 -1.754 -0.262 6.218 1.00 0.00 C ATOM 74 CE1 TYR A 5 -0.056 -2.459 5.862 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.184 -0.894 7.328 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.335 -1.991 7.151 1.00 0.00 C ATOM 77 OH TYR A 5 0.228 -2.612 8.246 1.00 0.00 O ATOM 0 H TYR A 5 -1.561 2.264 4.746 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.214 0.452 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.022 0.444 4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.369 -0.807 2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.415 -2.188 3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.409 0.586 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.599 -3.306 5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.400 -0.534 8.323 1.00 0.00 H new ATOM 0 HH TYR A 5 1.096 -2.993 7.996 1.00 0.00 H new ATOM 87 N PRO A 6 -1.099 1.732 0.824 1.00 0.00 N ATOM 88 CA PRO A 6 -1.638 2.356 -0.397 1.00 0.00 C ATOM 89 C PRO A 6 -2.804 1.533 -0.958 1.00 0.00 C ATOM 90 O PRO A 6 -2.612 0.491 -1.553 1.00 0.00 O ATOM 91 CB PRO A 6 -0.466 2.359 -1.386 1.00 0.00 C ATOM 92 CG PRO A 6 0.730 1.650 -0.703 1.00 0.00 C ATOM 93 CD PRO A 6 0.288 1.251 0.714 1.00 0.00 C ATOM 0 HA PRO A 6 -2.024 3.357 -0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.741 1.844 -2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.200 3.380 -1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.029 0.770 -1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.595 2.312 -0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.345 0.172 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.926 1.707 1.471 1.00 0.00 H new ATOM 101 N VAL A 7 -4.010 2.002 -0.786 1.00 0.00 N ATOM 102 CA VAL A 7 -5.188 1.258 -1.320 1.00 0.00 C ATOM 103 C VAL A 7 -5.610 1.883 -2.651 1.00 0.00 C ATOM 104 O VAL A 7 -5.592 3.087 -2.816 1.00 0.00 O ATOM 105 CB VAL A 7 -6.338 1.333 -0.321 1.00 0.00 C ATOM 106 CG1 VAL A 7 -5.845 0.889 1.059 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.855 2.771 -0.242 1.00 0.00 C ATOM 0 H VAL A 7 -4.231 2.870 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.925 0.212 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.145 0.676 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.667 0.942 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.480 -0.136 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.037 1.544 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.677 2.823 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.050 3.430 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.207 3.085 -1.224 1.00 0.00 H new ATOM 117 N ASP A 8 -5.973 1.074 -3.609 1.00 0.00 N ATOM 118 CA ASP A 8 -6.376 1.624 -4.933 1.00 0.00 C ATOM 119 C ASP A 8 -7.581 2.560 -4.769 1.00 0.00 C ATOM 120 O ASP A 8 -7.845 3.067 -3.696 1.00 0.00 O ATOM 121 CB ASP A 8 -6.696 0.463 -5.893 1.00 0.00 C ATOM 122 CG ASP A 8 -8.192 0.130 -5.886 1.00 0.00 C ATOM 123 OD1 ASP A 8 -8.731 -0.071 -4.813 1.00 0.00 O ATOM 124 OD2 ASP A 8 -8.770 0.077 -6.959 1.00 0.00 O ATOM 0 H ASP A 8 -6.008 0.058 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.557 2.206 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.385 0.728 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.124 -0.419 -5.604 1.00 0.00 H new ATOM 129 N SER A 9 -8.298 2.807 -5.830 1.00 0.00 N ATOM 130 CA SER A 9 -9.471 3.725 -5.747 1.00 0.00 C ATOM 131 C SER A 9 -10.574 3.104 -4.885 1.00 0.00 C ATOM 132 O SER A 9 -11.276 3.794 -4.173 1.00 0.00 O ATOM 133 CB SER A 9 -10.009 3.981 -7.156 1.00 0.00 C ATOM 134 OG SER A 9 -10.300 2.736 -7.781 1.00 0.00 O ATOM 0 H SER A 9 -8.122 2.412 -6.754 1.00 0.00 H new ATOM 0 HA SER A 9 -9.157 4.664 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.908 4.596 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.275 4.533 -7.743 1.00 0.00 H new ATOM 0 HG SER A 9 -10.646 2.896 -8.684 1.00 0.00 H new ATOM 140 N GLY A 10 -10.743 1.812 -4.948 1.00 0.00 N ATOM 141 CA GLY A 10 -11.813 1.162 -4.139 1.00 0.00 C ATOM 142 C GLY A 10 -11.262 0.711 -2.781 1.00 0.00 C ATOM 143 O GLY A 10 -11.880 -0.076 -2.093 1.00 0.00 O ATOM 0 H GLY A 10 -10.188 1.179 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.638 1.859 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.214 0.304 -4.678 1.00 0.00 H new ATOM 147 N ASN A 11 -10.106 1.186 -2.387 1.00 0.00 N ATOM 148 CA ASN A 11 -9.545 0.758 -1.077 1.00 0.00 C ATOM 149 C ASN A 11 -8.987 -0.654 -1.228 1.00 0.00 C ATOM 150 O ASN A 11 -9.264 -1.536 -0.440 1.00 0.00 O ATOM 151 CB ASN A 11 -10.644 0.766 -0.014 1.00 0.00 C ATOM 152 CG ASN A 11 -10.150 1.524 1.219 1.00 0.00 C ATOM 153 OD1 ASN A 11 -9.195 1.122 1.853 1.00 0.00 O ATOM 154 ND2 ASN A 11 -10.766 2.612 1.586 1.00 0.00 N ATOM 0 H ASN A 11 -9.534 1.846 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.755 1.443 -0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.544 1.238 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.912 -0.255 0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.446 3.127 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.568 2.949 1.053 1.00 0.00 H new ATOM 161 N CYS A 12 -8.217 -0.875 -2.253 1.00 0.00 N ATOM 162 CA CYS A 12 -7.650 -2.220 -2.487 1.00 0.00 C ATOM 163 C CYS A 12 -6.174 -2.229 -2.094 1.00 0.00 C ATOM 164 O CYS A 12 -5.296 -2.041 -2.911 1.00 0.00 O ATOM 165 CB CYS A 12 -7.809 -2.562 -3.965 1.00 0.00 C ATOM 166 SG CYS A 12 -9.565 -2.795 -4.334 1.00 0.00 S ATOM 0 H CYS A 12 -7.956 -0.171 -2.944 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.172 -2.962 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.398 -1.763 -4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.251 -3.468 -4.203 1.00 0.00 H new ATOM 171 N LYS A 13 -5.905 -2.444 -0.838 1.00 0.00 N ATOM 172 CA LYS A 13 -4.495 -2.470 -0.356 1.00 0.00 C ATOM 173 C LYS A 13 -3.634 -3.314 -1.298 1.00 0.00 C ATOM 174 O LYS A 13 -3.840 -4.503 -1.437 1.00 0.00 O ATOM 175 CB LYS A 13 -4.457 -3.091 1.043 1.00 0.00 C ATOM 176 CG LYS A 13 -5.573 -4.133 1.169 1.00 0.00 C ATOM 177 CD LYS A 13 -5.064 -5.350 1.942 1.00 0.00 C ATOM 178 CE LYS A 13 -6.222 -6.324 2.160 1.00 0.00 C ATOM 179 NZ LYS A 13 -5.824 -7.684 1.698 1.00 0.00 N ATOM 0 H LYS A 13 -6.608 -2.605 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.107 -1.452 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.488 -3.557 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.581 -2.317 1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.432 -3.699 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.913 -4.436 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.261 -5.838 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.648 -5.040 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.493 -6.352 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.103 -5.986 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.612 -8.346 1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.586 -7.651 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.996 -8.006 2.238 1.00 0.00 H new ATOM 193 N TYR A 14 -2.664 -2.718 -1.942 1.00 0.00 N ATOM 194 CA TYR A 14 -1.799 -3.512 -2.859 1.00 0.00 C ATOM 195 C TYR A 14 -1.141 -4.635 -2.066 1.00 0.00 C ATOM 196 O TYR A 14 -0.139 -4.448 -1.403 1.00 0.00 O ATOM 197 CB TYR A 14 -0.724 -2.622 -3.483 1.00 0.00 C ATOM 198 CG TYR A 14 -1.383 -1.397 -4.061 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.512 -1.539 -4.874 1.00 0.00 C ATOM 200 CD2 TYR A 14 -0.873 -0.125 -3.786 1.00 0.00 C ATOM 201 CE1 TYR A 14 -3.135 -0.410 -5.412 1.00 0.00 C ATOM 202 CE2 TYR A 14 -1.495 1.007 -4.325 1.00 0.00 C ATOM 203 CZ TYR A 14 -2.627 0.865 -5.137 1.00 0.00 C ATOM 204 OH TYR A 14 -3.240 1.983 -5.666 1.00 0.00 O ATOM 0 H TYR A 14 -2.436 -1.726 -1.873 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.409 -3.929 -3.660 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.012 -2.336 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.189 -3.166 -4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.903 -2.523 -5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.001 -0.016 -3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.007 -0.521 -6.039 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.102 1.991 -4.115 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.761 2.787 -5.376 1.00 0.00 H new ATOM 214 N GLU A 15 -1.712 -5.798 -2.125 1.00 0.00 N ATOM 215 CA GLU A 15 -1.152 -6.954 -1.378 1.00 0.00 C ATOM 216 C GLU A 15 0.215 -7.329 -1.946 1.00 0.00 C ATOM 217 O GLU A 15 0.652 -6.787 -2.941 1.00 0.00 O ATOM 218 CB GLU A 15 -2.096 -8.134 -1.531 1.00 0.00 C ATOM 219 CG GLU A 15 -2.174 -8.529 -3.006 1.00 0.00 C ATOM 220 CD GLU A 15 -1.978 -10.039 -3.140 1.00 0.00 C ATOM 221 OE1 GLU A 15 -2.959 -10.756 -3.031 1.00 0.00 O ATOM 222 OE2 GLU A 15 -0.850 -10.453 -3.346 1.00 0.00 O ATOM 0 H GLU A 15 -2.553 -6.002 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.041 -6.690 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.744 -8.976 -0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.087 -7.873 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.139 -8.239 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.410 -8.000 -3.576 1.00 0.00 H new ATOM 229 N CYS A 16 0.901 -8.251 -1.321 1.00 0.00 N ATOM 230 CA CYS A 16 2.241 -8.634 -1.844 1.00 0.00 C ATOM 231 C CYS A 16 2.569 -10.093 -1.506 1.00 0.00 C ATOM 232 O CYS A 16 1.914 -10.736 -0.711 1.00 0.00 O ATOM 233 CB CYS A 16 3.295 -7.692 -1.237 1.00 0.00 C ATOM 234 SG CYS A 16 4.570 -8.610 -0.327 1.00 0.00 S ATOM 0 H CYS A 16 0.595 -8.747 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 16 2.242 -8.542 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.763 -7.109 -2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.808 -6.984 -0.567 1.00 0.00 H new ATOM 239 N LEU A 17 3.627 -10.584 -2.090 1.00 0.00 N ATOM 240 CA LEU A 17 4.083 -11.969 -1.808 1.00 0.00 C ATOM 241 C LEU A 17 5.542 -11.917 -1.324 1.00 0.00 C ATOM 242 O LEU A 17 6.040 -12.847 -0.720 1.00 0.00 O ATOM 243 CB LEU A 17 3.992 -12.804 -3.084 1.00 0.00 C ATOM 244 CG LEU A 17 4.611 -12.021 -4.243 1.00 0.00 C ATOM 245 CD1 LEU A 17 5.616 -12.905 -4.982 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.509 -11.583 -5.210 1.00 0.00 C ATOM 0 H LEU A 17 4.202 -10.074 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 17 3.455 -12.422 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.513 -13.752 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.951 -13.041 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 17 5.123 -11.142 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.056 -12.345 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.403 -13.215 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.107 -13.786 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.950 -11.025 -6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.996 -12.462 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.795 -10.949 -4.685 1.00 0.00 H new ATOM 258 N LYS A 18 6.228 -10.828 -1.582 1.00 0.00 N ATOM 259 CA LYS A 18 7.646 -10.701 -1.140 1.00 0.00 C ATOM 260 C LYS A 18 7.932 -9.239 -0.772 1.00 0.00 C ATOM 261 O LYS A 18 7.348 -8.326 -1.323 1.00 0.00 O ATOM 262 CB LYS A 18 8.577 -11.130 -2.278 1.00 0.00 C ATOM 263 CG LYS A 18 8.542 -12.652 -2.426 1.00 0.00 C ATOM 264 CD LYS A 18 9.598 -13.276 -1.514 1.00 0.00 C ATOM 265 CE LYS A 18 8.907 -14.125 -0.446 1.00 0.00 C ATOM 266 NZ LYS A 18 9.777 -14.214 0.760 1.00 0.00 N ATOM 0 H LYS A 18 5.860 -10.019 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 18 7.816 -11.338 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.269 -10.657 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.595 -10.798 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.553 -13.031 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.730 -12.932 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.281 -13.892 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.196 -12.495 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.946 -13.684 -0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.704 -15.123 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.306 -14.791 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.684 -14.653 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.949 -13.259 1.135 1.00 0.00 H new ATOM 280 N ASP A 19 8.824 -9.012 0.155 1.00 0.00 N ATOM 281 CA ASP A 19 9.153 -7.613 0.568 1.00 0.00 C ATOM 282 C ASP A 19 9.592 -6.790 -0.650 1.00 0.00 C ATOM 283 O ASP A 19 9.325 -5.611 -0.738 1.00 0.00 O ATOM 284 CB ASP A 19 10.290 -7.648 1.592 1.00 0.00 C ATOM 285 CG ASP A 19 10.823 -6.234 1.823 1.00 0.00 C ATOM 286 OD1 ASP A 19 10.169 -5.298 1.400 1.00 0.00 O ATOM 287 OD2 ASP A 19 11.882 -6.113 2.419 1.00 0.00 O ATOM 0 H ASP A 19 9.343 -9.739 0.648 1.00 0.00 H new ATOM 0 HA ASP A 19 8.268 -7.152 1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.933 -8.070 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.092 -8.295 1.237 1.00 0.00 H new ATOM 292 N ASP A 20 10.271 -7.396 -1.585 1.00 0.00 N ATOM 293 CA ASP A 20 10.736 -6.650 -2.780 1.00 0.00 C ATOM 294 C ASP A 20 9.544 -6.129 -3.583 1.00 0.00 C ATOM 295 O ASP A 20 9.568 -5.028 -4.088 1.00 0.00 O ATOM 296 CB ASP A 20 11.550 -7.603 -3.644 1.00 0.00 C ATOM 297 CG ASP A 20 10.708 -8.839 -3.967 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.792 -8.716 -4.764 1.00 0.00 O ATOM 299 OD2 ASP A 20 10.991 -9.887 -3.411 1.00 0.00 O ATOM 0 H ASP A 20 10.524 -8.384 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 20 11.340 -5.798 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.855 -7.106 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.461 -7.896 -3.123 1.00 0.00 H new ATOM 304 N TYR A 21 8.508 -6.906 -3.717 1.00 0.00 N ATOM 305 CA TYR A 21 7.332 -6.431 -4.497 1.00 0.00 C ATOM 306 C TYR A 21 6.745 -5.193 -3.821 1.00 0.00 C ATOM 307 O TYR A 21 6.301 -4.267 -4.471 1.00 0.00 O ATOM 308 CB TYR A 21 6.273 -7.531 -4.545 1.00 0.00 C ATOM 309 CG TYR A 21 4.984 -6.967 -5.094 1.00 0.00 C ATOM 310 CD1 TYR A 21 5.012 -5.913 -6.016 1.00 0.00 C ATOM 311 CD2 TYR A 21 3.758 -7.500 -4.680 1.00 0.00 C ATOM 312 CE1 TYR A 21 3.815 -5.392 -6.520 1.00 0.00 C ATOM 313 CE2 TYR A 21 2.561 -6.979 -5.184 1.00 0.00 C ATOM 314 CZ TYR A 21 2.590 -5.926 -6.105 1.00 0.00 C ATOM 315 OH TYR A 21 1.409 -5.411 -6.600 1.00 0.00 O ATOM 0 H TYR A 21 8.423 -7.843 -3.324 1.00 0.00 H new ATOM 0 HA TYR A 21 7.644 -6.183 -5.511 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.617 -8.355 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.109 -7.936 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.958 -5.502 -6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.736 -8.314 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.837 -4.578 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.615 -7.389 -4.862 1.00 0.00 H new ATOM 0 HH TYR A 21 0.652 -5.896 -6.210 1.00 0.00 H new ATOM 325 N CYS A 22 6.735 -5.173 -2.518 1.00 0.00 N ATOM 326 CA CYS A 22 6.171 -4.000 -1.798 1.00 0.00 C ATOM 327 C CYS A 22 7.084 -2.797 -1.972 1.00 0.00 C ATOM 328 O CYS A 22 6.630 -1.700 -2.170 1.00 0.00 O ATOM 329 CB CYS A 22 6.064 -4.315 -0.313 1.00 0.00 C ATOM 330 SG CYS A 22 4.626 -5.365 -0.005 1.00 0.00 S ATOM 0 H CYS A 22 7.093 -5.919 -1.921 1.00 0.00 H new ATOM 0 HA CYS A 22 5.185 -3.779 -2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.970 -4.817 0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.978 -3.390 0.258 1.00 0.00 H new ATOM 335 N ASN A 23 8.363 -3.000 -1.890 1.00 0.00 N ATOM 336 CA ASN A 23 9.320 -1.870 -2.043 1.00 0.00 C ATOM 337 C ASN A 23 9.136 -1.242 -3.410 1.00 0.00 C ATOM 338 O ASN A 23 8.950 -0.055 -3.543 1.00 0.00 O ATOM 339 CB ASN A 23 10.741 -2.417 -1.942 1.00 0.00 C ATOM 340 CG ASN A 23 11.737 -1.258 -1.891 1.00 0.00 C ATOM 341 OD1 ASN A 23 11.830 -0.479 -2.818 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.492 -1.111 -0.840 1.00 0.00 N ATOM 0 H ASN A 23 8.794 -3.909 -1.722 1.00 0.00 H new ATOM 0 HA ASN A 23 9.143 -1.125 -1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.841 -3.034 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.956 -3.057 -2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.161 -0.342 -0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.415 -1.765 -0.061 1.00 0.00 H new ATOM 349 N ASP A 24 9.196 -2.041 -4.423 1.00 0.00 N ATOM 350 CA ASP A 24 9.029 -1.519 -5.804 1.00 0.00 C ATOM 351 C ASP A 24 7.654 -0.867 -5.931 1.00 0.00 C ATOM 352 O ASP A 24 7.537 0.334 -6.060 1.00 0.00 O ATOM 353 CB ASP A 24 9.136 -2.679 -6.788 1.00 0.00 C ATOM 354 CG ASP A 24 9.464 -2.144 -8.180 1.00 0.00 C ATOM 355 OD1 ASP A 24 9.200 -0.978 -8.422 1.00 0.00 O ATOM 356 OD2 ASP A 24 9.976 -2.907 -8.982 1.00 0.00 O ATOM 0 H ASP A 24 9.355 -3.046 -4.359 1.00 0.00 H new ATOM 0 HA ASP A 24 9.802 -0.781 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.910 -3.374 -6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.199 -3.235 -6.813 1.00 0.00 H new ATOM 361 N LEU A 25 6.609 -1.646 -5.892 1.00 0.00 N ATOM 362 CA LEU A 25 5.252 -1.056 -6.001 1.00 0.00 C ATOM 363 C LEU A 25 5.175 0.167 -5.082 1.00 0.00 C ATOM 364 O LEU A 25 4.451 1.101 -5.338 1.00 0.00 O ATOM 365 CB LEU A 25 4.204 -2.098 -5.577 1.00 0.00 C ATOM 366 CG LEU A 25 2.876 -1.401 -5.249 1.00 0.00 C ATOM 367 CD1 LEU A 25 1.735 -2.050 -6.037 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.586 -1.532 -3.751 1.00 0.00 C ATOM 0 H LEU A 25 6.638 -2.660 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 25 5.054 -0.756 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.056 -2.824 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.559 -2.650 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 25 2.952 -0.348 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.797 -1.549 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.933 -1.959 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.662 -3.104 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.643 -1.037 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.518 -2.587 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.391 -1.066 -3.182 1.00 0.00 H new ATOM 380 N CYS A 26 5.923 0.159 -4.014 1.00 0.00 N ATOM 381 CA CYS A 26 5.909 1.296 -3.064 1.00 0.00 C ATOM 382 C CYS A 26 6.531 2.532 -3.720 1.00 0.00 C ATOM 383 O CYS A 26 6.010 3.626 -3.634 1.00 0.00 O ATOM 384 CB CYS A 26 6.724 0.902 -1.826 1.00 0.00 C ATOM 385 SG CYS A 26 5.638 0.224 -0.539 1.00 0.00 S ATOM 0 H CYS A 26 6.552 -0.602 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 26 4.883 1.531 -2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.478 0.164 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.255 1.773 -1.441 1.00 0.00 H new ATOM 390 N LEU A 27 7.646 2.362 -4.367 1.00 0.00 N ATOM 391 CA LEU A 27 8.324 3.502 -5.025 1.00 0.00 C ATOM 392 C LEU A 27 7.419 4.078 -6.117 1.00 0.00 C ATOM 393 O LEU A 27 7.397 5.270 -6.353 1.00 0.00 O ATOM 394 CB LEU A 27 9.638 3.005 -5.633 1.00 0.00 C ATOM 395 CG LEU A 27 10.559 2.526 -4.508 1.00 0.00 C ATOM 396 CD1 LEU A 27 11.460 1.404 -5.023 1.00 0.00 C ATOM 397 CD2 LEU A 27 11.424 3.692 -4.019 1.00 0.00 C ATOM 0 H LEU A 27 8.122 1.465 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 27 8.532 4.287 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.445 2.192 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.118 3.805 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 27 9.953 2.153 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.114 1.065 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.845 0.572 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.064 1.774 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.079 3.348 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.028 4.069 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.782 4.490 -3.646 1.00 0.00 H new ATOM 409 N GLU A 28 6.673 3.243 -6.787 1.00 0.00 N ATOM 410 CA GLU A 28 5.776 3.742 -7.859 1.00 0.00 C ATOM 411 C GLU A 28 4.699 4.639 -7.259 1.00 0.00 C ATOM 412 O GLU A 28 4.364 5.677 -7.796 1.00 0.00 O ATOM 413 CB GLU A 28 5.117 2.560 -8.570 1.00 0.00 C ATOM 414 CG GLU A 28 5.077 2.826 -10.077 1.00 0.00 C ATOM 415 CD GLU A 28 4.664 1.548 -10.809 1.00 0.00 C ATOM 416 OE1 GLU A 28 5.087 0.485 -10.387 1.00 0.00 O ATOM 417 OE2 GLU A 28 3.930 1.653 -11.778 1.00 0.00 O ATOM 0 H GLU A 28 6.648 2.235 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 28 6.363 4.316 -8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.672 1.644 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.106 2.411 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.372 3.628 -10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.055 3.157 -10.425 1.00 0.00 H new ATOM 424 N ARG A 29 4.152 4.242 -6.152 1.00 0.00 N ATOM 425 CA ARG A 29 3.089 5.059 -5.507 1.00 0.00 C ATOM 426 C ARG A 29 3.664 6.411 -5.073 1.00 0.00 C ATOM 427 O ARG A 29 2.928 7.307 -4.716 1.00 0.00 O ATOM 428 CB ARG A 29 2.524 4.320 -4.289 1.00 0.00 C ATOM 429 CG ARG A 29 2.132 2.893 -4.686 1.00 0.00 C ATOM 430 CD ARG A 29 0.941 2.924 -5.642 1.00 0.00 C ATOM 431 NE ARG A 29 1.446 2.937 -7.044 1.00 0.00 N ATOM 432 CZ ARG A 29 0.632 2.722 -8.041 1.00 0.00 C ATOM 433 NH1 ARG A 29 -0.642 2.537 -7.823 1.00 0.00 N ATOM 434 NH2 ARG A 29 1.096 2.698 -9.260 1.00 0.00 N ATOM 0 H ARG A 29 4.395 3.382 -5.660 1.00 0.00 H new ATOM 0 HA ARG A 29 2.286 5.225 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.266 4.295 -3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.655 4.851 -3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.977 2.394 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.880 2.316 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.304 2.054 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.330 3.806 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 29 2.434 3.115 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.005 2.560 -6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.274 2.369 -8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.091 2.847 -9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.464 2.530 -10.043 1.00 0.00 H new ATOM 448 N LYS A 30 4.973 6.544 -5.110 1.00 0.00 N ATOM 449 CA LYS A 30 5.664 7.825 -4.716 1.00 0.00 C ATOM 450 C LYS A 30 6.289 7.675 -3.332 1.00 0.00 C ATOM 451 O LYS A 30 6.556 8.646 -2.655 1.00 0.00 O ATOM 452 CB LYS A 30 4.689 9.006 -4.684 1.00 0.00 C ATOM 453 CG LYS A 30 5.471 10.307 -4.475 1.00 0.00 C ATOM 454 CD LYS A 30 5.269 10.806 -3.040 1.00 0.00 C ATOM 455 CE LYS A 30 4.381 12.050 -3.054 1.00 0.00 C ATOM 456 NZ LYS A 30 4.362 12.660 -1.697 1.00 0.00 N ATOM 0 H LYS A 30 5.608 5.802 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 30 6.432 8.023 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.127 9.053 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.964 8.872 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.531 10.140 -4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.134 11.063 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.810 10.025 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.232 11.038 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.755 12.769 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.369 11.784 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.588 13.352 -1.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.216 11.917 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.268 13.138 -1.518 1.00 0.00 H new ATOM 470 N ALA A 31 6.528 6.476 -2.895 1.00 0.00 N ATOM 471 CA ALA A 31 7.131 6.303 -1.548 1.00 0.00 C ATOM 472 C ALA A 31 8.643 6.136 -1.660 1.00 0.00 C ATOM 473 O ALA A 31 9.155 5.526 -2.578 1.00 0.00 O ATOM 474 CB ALA A 31 6.547 5.070 -0.873 1.00 0.00 C ATOM 0 H ALA A 31 6.335 5.614 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 31 6.908 7.190 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.994 4.950 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.468 5.188 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.760 4.189 -1.478 1.00 0.00 H new ATOM 480 N ASP A 32 9.354 6.669 -0.713 1.00 0.00 N ATOM 481 CA ASP A 32 10.827 6.554 -0.711 1.00 0.00 C ATOM 482 C ASP A 32 11.203 5.089 -0.530 1.00 0.00 C ATOM 483 O ASP A 32 12.050 4.559 -1.220 1.00 0.00 O ATOM 484 CB ASP A 32 11.369 7.358 0.463 1.00 0.00 C ATOM 485 CG ASP A 32 12.788 7.844 0.158 1.00 0.00 C ATOM 486 OD1 ASP A 32 13.469 7.184 -0.610 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.169 8.871 0.698 1.00 0.00 O ATOM 0 H ASP A 32 8.966 7.189 0.074 1.00 0.00 H new ATOM 0 HA ASP A 32 11.242 6.929 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.719 8.210 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.372 6.744 1.364 1.00 0.00 H new ATOM 492 N LYS A 33 10.574 4.435 0.404 1.00 0.00 N ATOM 493 CA LYS A 33 10.887 2.998 0.647 1.00 0.00 C ATOM 494 C LYS A 33 9.678 2.314 1.291 1.00 0.00 C ATOM 495 O LYS A 33 8.870 2.947 1.942 1.00 0.00 O ATOM 496 CB LYS A 33 12.101 2.894 1.575 1.00 0.00 C ATOM 497 CG LYS A 33 11.947 3.882 2.734 1.00 0.00 C ATOM 498 CD LYS A 33 12.253 3.172 4.055 1.00 0.00 C ATOM 499 CE LYS A 33 13.761 2.940 4.178 1.00 0.00 C ATOM 500 NZ LYS A 33 14.022 1.488 4.395 1.00 0.00 N ATOM 0 H LYS A 33 9.856 4.832 1.011 1.00 0.00 H new ATOM 0 HA LYS A 33 11.114 2.506 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.192 1.878 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 33 13.015 3.108 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.623 4.727 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.934 4.284 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.898 3.772 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.724 2.220 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.267 3.281 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.163 3.521 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.046 1.328 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.550 1.177 5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.652 0.945 3.589 1.00 0.00 H new ATOM 514 N GLY A 34 9.541 1.027 1.111 1.00 0.00 N ATOM 515 CA GLY A 34 8.377 0.311 1.711 1.00 0.00 C ATOM 516 C GLY A 34 8.635 -1.199 1.706 1.00 0.00 C ATOM 517 O GLY A 34 9.234 -1.731 0.793 1.00 0.00 O ATOM 0 H GLY A 34 10.183 0.442 0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.213 0.657 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.471 0.536 1.148 1.00 0.00 H new ATOM 521 N TYR A 35 8.176 -1.896 2.712 1.00 0.00 N ATOM 522 CA TYR A 35 8.386 -3.375 2.754 1.00 0.00 C ATOM 523 C TYR A 35 7.042 -4.072 2.665 1.00 0.00 C ATOM 524 O TYR A 35 6.042 -3.471 2.353 1.00 0.00 O ATOM 525 CB TYR A 35 9.067 -3.784 4.059 1.00 0.00 C ATOM 526 CG TYR A 35 8.336 -3.185 5.242 1.00 0.00 C ATOM 527 CD1 TYR A 35 7.208 -3.829 5.771 1.00 0.00 C ATOM 528 CD2 TYR A 35 8.795 -1.996 5.822 1.00 0.00 C ATOM 529 CE1 TYR A 35 6.542 -3.283 6.874 1.00 0.00 C ATOM 530 CE2 TYR A 35 8.129 -1.454 6.926 1.00 0.00 C ATOM 531 CZ TYR A 35 7.003 -2.096 7.453 1.00 0.00 C ATOM 532 OH TYR A 35 6.350 -1.561 8.543 1.00 0.00 O ATOM 0 H TYR A 35 7.666 -1.507 3.505 1.00 0.00 H new ATOM 0 HA TYR A 35 9.021 -3.662 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.082 -4.871 4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.104 -3.450 4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.853 -4.747 5.327 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.663 -1.498 5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.672 -3.778 7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.485 -0.537 7.373 1.00 0.00 H new ATOM 0 HH TYR A 35 6.878 -0.821 8.910 1.00 0.00 H new ATOM 542 N CYS A 36 7.011 -5.342 2.925 1.00 0.00 N ATOM 543 CA CYS A 36 5.729 -6.080 2.843 1.00 0.00 C ATOM 544 C CYS A 36 5.305 -6.564 4.225 1.00 0.00 C ATOM 545 O CYS A 36 5.923 -7.431 4.812 1.00 0.00 O ATOM 546 CB CYS A 36 5.913 -7.270 1.919 1.00 0.00 C ATOM 547 SG CYS A 36 4.325 -8.038 1.581 1.00 0.00 S ATOM 0 H CYS A 36 7.820 -5.903 3.192 1.00 0.00 H new ATOM 0 HA CYS A 36 4.953 -5.419 2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.376 -6.948 0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.587 -7.995 2.376 1.00 0.00 H new ATOM 552 N TYR A 37 4.241 -6.019 4.738 1.00 0.00 N ATOM 553 CA TYR A 37 3.753 -6.450 6.070 1.00 0.00 C ATOM 554 C TYR A 37 2.767 -7.603 5.869 1.00 0.00 C ATOM 555 O TYR A 37 1.609 -7.393 5.557 1.00 0.00 O ATOM 556 CB TYR A 37 3.058 -5.273 6.759 1.00 0.00 C ATOM 557 CG TYR A 37 3.154 -5.441 8.256 1.00 0.00 C ATOM 558 CD1 TYR A 37 3.222 -6.723 8.811 1.00 0.00 C ATOM 559 CD2 TYR A 37 3.180 -4.314 9.088 1.00 0.00 C ATOM 560 CE1 TYR A 37 3.316 -6.882 10.198 1.00 0.00 C ATOM 561 CE2 TYR A 37 3.274 -4.472 10.476 1.00 0.00 C ATOM 562 CZ TYR A 37 3.342 -5.757 11.030 1.00 0.00 C ATOM 563 OH TYR A 37 3.435 -5.914 12.397 1.00 0.00 O ATOM 0 H TYR A 37 3.687 -5.290 4.288 1.00 0.00 H new ATOM 0 HA TYR A 37 4.583 -6.780 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.523 -4.334 6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.013 -5.224 6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.202 -7.591 8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.128 -3.324 8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.368 -7.872 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.294 -3.604 11.119 1.00 0.00 H new ATOM 0 HH TYR A 37 3.442 -5.034 12.828 1.00 0.00 H new ATOM 573 N TRP A 38 3.224 -8.822 6.024 1.00 0.00 N ATOM 574 CA TRP A 38 2.320 -9.991 5.827 1.00 0.00 C ATOM 575 C TRP A 38 1.245 -9.992 6.922 1.00 0.00 C ATOM 576 O TRP A 38 0.301 -9.234 6.847 1.00 0.00 O ATOM 577 CB TRP A 38 3.140 -11.291 5.862 1.00 0.00 C ATOM 578 CG TRP A 38 3.198 -11.888 4.488 1.00 0.00 C ATOM 579 CD1 TRP A 38 3.924 -11.405 3.452 1.00 0.00 C ATOM 580 CD2 TRP A 38 2.518 -13.079 3.992 1.00 0.00 C ATOM 581 NE1 TRP A 38 3.729 -12.222 2.352 1.00 0.00 N ATOM 582 CE2 TRP A 38 2.869 -13.266 2.634 1.00 0.00 C ATOM 583 CE3 TRP A 38 1.636 -14.004 4.583 1.00 0.00 C ATOM 584 CZ2 TRP A 38 2.363 -14.334 1.889 1.00 0.00 C ATOM 585 CZ3 TRP A 38 1.125 -15.078 3.835 1.00 0.00 C ATOM 586 CH2 TRP A 38 1.488 -15.243 2.492 1.00 0.00 C ATOM 0 H TRP A 38 4.184 -9.055 6.278 1.00 0.00 H new ATOM 0 HA TRP A 38 1.829 -9.922 4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 38 4.148 -11.087 6.223 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.689 -11.998 6.558 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.552 -10.527 3.480 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.167 -12.072 1.443 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.350 -13.887 5.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 2.646 -14.457 0.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.448 -15.781 4.298 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.092 -16.071 1.923 1.00 0.00 H new ATOM 597 N GLY A 39 1.377 -10.821 7.938 1.00 0.00 N ATOM 598 CA GLY A 39 0.353 -10.858 9.030 1.00 0.00 C ATOM 599 C GLY A 39 -1.030 -10.556 8.454 1.00 0.00 C ATOM 600 O GLY A 39 -1.699 -9.638 8.885 1.00 0.00 O ATOM 0 H GLY A 39 2.153 -11.473 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.352 -11.838 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.603 -10.129 9.800 1.00 0.00 H new ATOM 604 N LYS A 40 -1.451 -11.307 7.465 1.00 0.00 N ATOM 605 CA LYS A 40 -2.780 -11.049 6.837 1.00 0.00 C ATOM 606 C LYS A 40 -2.974 -9.539 6.700 1.00 0.00 C ATOM 607 O LYS A 40 -3.902 -8.968 7.238 1.00 0.00 O ATOM 608 CB LYS A 40 -3.895 -11.644 7.705 1.00 0.00 C ATOM 609 CG LYS A 40 -3.779 -11.110 9.132 1.00 0.00 C ATOM 610 CD LYS A 40 -4.996 -11.556 9.945 1.00 0.00 C ATOM 611 CE LYS A 40 -4.962 -13.075 10.118 1.00 0.00 C ATOM 612 NZ LYS A 40 -4.721 -13.409 11.550 1.00 0.00 N ATOM 0 H LYS A 40 -0.929 -12.088 7.067 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.820 -11.517 5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.869 -11.387 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.826 -12.732 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.864 -11.478 9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.715 -10.022 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.995 -11.068 10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.914 -11.257 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.905 -13.510 9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.176 -13.505 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.698 -14.442 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.811 -13.006 11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.486 -13.012 12.133 1.00 0.00 H new ATOM 626 N VAL A 41 -2.089 -8.886 5.995 1.00 0.00 N ATOM 627 CA VAL A 41 -2.208 -7.411 5.836 1.00 0.00 C ATOM 628 C VAL A 41 -1.955 -7.012 4.373 1.00 0.00 C ATOM 629 O VAL A 41 -2.738 -7.324 3.498 1.00 0.00 O ATOM 630 CB VAL A 41 -1.194 -6.720 6.751 1.00 0.00 C ATOM 631 CG1 VAL A 41 -1.375 -5.202 6.669 1.00 0.00 C ATOM 632 CG2 VAL A 41 -1.406 -7.183 8.194 1.00 0.00 C ATOM 0 H VAL A 41 -1.291 -9.311 5.524 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.216 -7.100 6.110 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.185 -6.981 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.651 -4.714 7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.218 -4.872 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.384 -4.938 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.683 -6.690 8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.416 -6.926 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.270 -8.263 8.253 1.00 0.00 H new ATOM 642 N SER A 42 -0.882 -6.311 4.091 1.00 0.00 N ATOM 643 CA SER A 42 -0.627 -5.894 2.680 1.00 0.00 C ATOM 644 C SER A 42 0.747 -5.245 2.565 1.00 0.00 C ATOM 645 O SER A 42 1.612 -5.425 3.399 1.00 0.00 O ATOM 646 CB SER A 42 -1.684 -4.872 2.268 1.00 0.00 C ATOM 647 OG SER A 42 -2.650 -4.755 3.303 1.00 0.00 O ATOM 0 H SER A 42 -0.181 -6.014 4.770 1.00 0.00 H new ATOM 0 HA SER A 42 -0.669 -6.772 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.218 -3.905 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.164 -5.182 1.340 1.00 0.00 H new ATOM 0 HG SER A 42 -2.902 -3.814 3.411 1.00 0.00 H new ATOM 653 N CYS A 43 0.933 -4.473 1.532 1.00 0.00 N ATOM 654 CA CYS A 43 2.233 -3.774 1.337 1.00 0.00 C ATOM 655 C CYS A 43 2.277 -2.541 2.239 1.00 0.00 C ATOM 656 O CYS A 43 1.263 -1.970 2.581 1.00 0.00 O ATOM 657 CB CYS A 43 2.362 -3.317 -0.122 1.00 0.00 C ATOM 658 SG CYS A 43 3.132 -4.606 -1.138 1.00 0.00 S ATOM 0 H CYS A 43 0.235 -4.295 0.809 1.00 0.00 H new ATOM 0 HA CYS A 43 3.048 -4.455 1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.377 -3.075 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.958 -2.406 -0.170 1.00 0.00 H new ATOM 663 N TYR A 44 3.447 -2.119 2.614 1.00 0.00 N ATOM 664 CA TYR A 44 3.568 -0.918 3.483 1.00 0.00 C ATOM 665 C TYR A 44 4.617 0.023 2.889 1.00 0.00 C ATOM 666 O TYR A 44 5.766 -0.339 2.721 1.00 0.00 O ATOM 667 CB TYR A 44 3.989 -1.347 4.889 1.00 0.00 C ATOM 668 CG TYR A 44 3.624 -0.258 5.862 1.00 0.00 C ATOM 669 CD1 TYR A 44 2.305 -0.133 6.297 1.00 0.00 C ATOM 670 CD2 TYR A 44 4.601 0.627 6.325 1.00 0.00 C ATOM 671 CE1 TYR A 44 1.959 0.875 7.196 1.00 0.00 C ATOM 672 CE2 TYR A 44 4.260 1.638 7.225 1.00 0.00 C ATOM 673 CZ TYR A 44 2.936 1.764 7.664 1.00 0.00 C ATOM 674 OH TYR A 44 2.597 2.761 8.554 1.00 0.00 O ATOM 0 H TYR A 44 4.332 -2.556 2.355 1.00 0.00 H new ATOM 0 HA TYR A 44 2.609 -0.403 3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.494 -2.278 5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.062 -1.536 4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.551 -0.817 5.937 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.622 0.529 5.986 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.937 0.971 7.532 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.016 2.322 7.582 1.00 0.00 H new ATOM 0 HH TYR A 44 3.394 3.286 8.776 1.00 0.00 H new ATOM 684 N CYS A 45 4.231 1.226 2.552 1.00 0.00 N ATOM 685 CA CYS A 45 5.211 2.173 1.949 1.00 0.00 C ATOM 686 C CYS A 45 5.554 3.297 2.927 1.00 0.00 C ATOM 687 O CYS A 45 4.940 3.462 3.962 1.00 0.00 O ATOM 688 CB CYS A 45 4.619 2.792 0.681 1.00 0.00 C ATOM 689 SG CYS A 45 4.068 1.488 -0.443 1.00 0.00 S ATOM 0 H CYS A 45 3.285 1.591 2.668 1.00 0.00 H new ATOM 0 HA CYS A 45 6.117 1.616 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.781 3.439 0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.364 3.417 0.189 1.00 0.00 H new ATOM 694 N TYR A 46 6.535 4.076 2.573 1.00 0.00 N ATOM 695 CA TYR A 46 6.962 5.218 3.424 1.00 0.00 C ATOM 696 C TYR A 46 7.297 6.387 2.501 1.00 0.00 C ATOM 697 O TYR A 46 8.302 6.374 1.820 1.00 0.00 O ATOM 698 CB TYR A 46 8.217 4.834 4.204 1.00 0.00 C ATOM 699 CG TYR A 46 7.904 3.763 5.218 1.00 0.00 C ATOM 700 CD1 TYR A 46 7.991 2.413 4.863 1.00 0.00 C ATOM 701 CD2 TYR A 46 7.536 4.121 6.517 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.708 1.423 5.810 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.252 3.135 7.463 1.00 0.00 C ATOM 704 CZ TYR A 46 7.336 1.785 7.112 1.00 0.00 C ATOM 705 OH TYR A 46 7.053 0.812 8.049 1.00 0.00 O ATOM 0 H TYR A 46 7.070 3.966 1.711 1.00 0.00 H new ATOM 0 HA TYR A 46 6.170 5.485 4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.985 4.478 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.622 5.712 4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.276 2.135 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.471 5.164 6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.776 0.380 5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.967 3.415 8.466 1.00 0.00 H new ATOM 0 HH TYR A 46 6.722 0.008 7.596 1.00 0.00 H new ATOM 715 N GLY A 47 6.462 7.384 2.457 1.00 0.00 N ATOM 716 CA GLY A 47 6.732 8.542 1.555 1.00 0.00 C ATOM 717 C GLY A 47 5.569 8.692 0.577 1.00 0.00 C ATOM 718 O GLY A 47 5.649 9.415 -0.396 1.00 0.00 O ATOM 0 H GLY A 47 5.604 7.450 3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.853 9.454 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.664 8.386 1.011 1.00 0.00 H new ATOM 722 N LEU A 48 4.482 8.018 0.836 1.00 0.00 N ATOM 723 CA LEU A 48 3.305 8.119 -0.063 1.00 0.00 C ATOM 724 C LEU A 48 2.804 9.562 -0.048 1.00 0.00 C ATOM 725 O LEU A 48 3.130 10.314 0.847 1.00 0.00 O ATOM 726 CB LEU A 48 2.209 7.182 0.445 1.00 0.00 C ATOM 727 CG LEU A 48 2.773 5.768 0.565 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.827 4.916 1.408 1.00 0.00 C ATOM 729 CD2 LEU A 48 2.905 5.153 -0.831 1.00 0.00 C ATOM 0 H LEU A 48 4.361 7.399 1.637 1.00 0.00 H new ATOM 0 HA LEU A 48 3.576 7.836 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.842 7.523 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.360 7.191 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 48 3.753 5.805 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.227 3.906 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.729 5.355 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.848 4.878 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.308 4.144 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.925 5.115 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.577 5.763 -1.435 1.00 0.00 H new ATOM 741 N PRO A 49 2.026 9.911 -1.035 1.00 0.00 N ATOM 742 CA PRO A 49 1.477 11.269 -1.137 1.00 0.00 C ATOM 743 C PRO A 49 0.695 11.613 0.133 1.00 0.00 C ATOM 744 O PRO A 49 0.156 10.753 0.793 1.00 0.00 O ATOM 745 CB PRO A 49 0.557 11.228 -2.363 1.00 0.00 C ATOM 746 CG PRO A 49 0.734 9.841 -3.035 1.00 0.00 C ATOM 747 CD PRO A 49 1.625 8.990 -2.115 1.00 0.00 C ATOM 0 HA PRO A 49 2.250 12.031 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.481 11.381 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.812 12.027 -3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.233 9.361 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.191 9.948 -4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.083 8.130 -1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.493 8.603 -2.650 1.00 0.00 H new ATOM 755 N ASP A 50 0.643 12.862 0.490 1.00 0.00 N ATOM 756 CA ASP A 50 -0.094 13.248 1.714 1.00 0.00 C ATOM 757 C ASP A 50 -1.511 12.682 1.676 1.00 0.00 C ATOM 758 O ASP A 50 -1.901 11.886 2.506 1.00 0.00 O ATOM 759 CB ASP A 50 -0.152 14.770 1.801 1.00 0.00 C ATOM 760 CG ASP A 50 0.729 15.251 2.954 1.00 0.00 C ATOM 761 OD1 ASP A 50 0.964 14.467 3.860 1.00 0.00 O ATOM 762 OD2 ASP A 50 1.154 16.394 2.912 1.00 0.00 O ATOM 0 H ASP A 50 1.081 13.632 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 50 0.420 12.846 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.186 15.211 0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.180 15.097 1.955 1.00 0.00 H new ATOM 767 N ASN A 51 -2.285 13.106 0.728 1.00 0.00 N ATOM 768 CA ASN A 51 -3.679 12.638 0.623 1.00 0.00 C ATOM 769 C ASN A 51 -3.746 11.272 -0.064 1.00 0.00 C ATOM 770 O ASN A 51 -4.805 10.815 -0.445 1.00 0.00 O ATOM 771 CB ASN A 51 -4.469 13.656 -0.190 1.00 0.00 C ATOM 772 CG ASN A 51 -3.855 13.801 -1.582 1.00 0.00 C ATOM 773 OD1 ASN A 51 -2.939 13.085 -1.935 1.00 0.00 O ATOM 774 ND2 ASN A 51 -4.326 14.707 -2.394 1.00 0.00 N ATOM 0 H ASN A 51 -2.002 13.771 0.008 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.100 12.536 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.509 13.340 -0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.469 14.620 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.925 14.815 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.095 15.308 -2.097 1.00 0.00 H new ATOM 781 N SER A 52 -2.634 10.612 -0.229 1.00 0.00 N ATOM 782 CA SER A 52 -2.667 9.276 -0.895 1.00 0.00 C ATOM 783 C SER A 52 -3.799 8.439 -0.283 1.00 0.00 C ATOM 784 O SER A 52 -3.923 8.367 0.924 1.00 0.00 O ATOM 785 CB SER A 52 -1.333 8.550 -0.690 1.00 0.00 C ATOM 786 OG SER A 52 -1.573 7.230 -0.213 1.00 0.00 O ATOM 0 H SER A 52 -1.712 10.934 0.064 1.00 0.00 H new ATOM 0 HA SER A 52 -2.836 9.412 -1.963 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.780 8.513 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.716 9.098 0.022 1.00 0.00 H new ATOM 0 HG SER A 52 -0.785 6.672 -0.383 1.00 0.00 H new ATOM 792 N PRO A 53 -4.592 7.831 -1.131 1.00 0.00 N ATOM 793 CA PRO A 53 -5.720 6.995 -0.685 1.00 0.00 C ATOM 794 C PRO A 53 -5.196 5.735 0.009 1.00 0.00 C ATOM 795 O PRO A 53 -4.612 4.872 -0.617 1.00 0.00 O ATOM 796 CB PRO A 53 -6.461 6.618 -1.975 1.00 0.00 C ATOM 797 CG PRO A 53 -5.645 7.177 -3.168 1.00 0.00 C ATOM 798 CD PRO A 53 -4.438 7.932 -2.593 1.00 0.00 C ATOM 0 HA PRO A 53 -6.364 7.512 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.563 5.536 -2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.469 7.034 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.315 6.367 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.260 7.843 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.499 7.487 -2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.430 8.972 -2.919 1.00 0.00 H new ATOM 806 N THR A 54 -5.396 5.618 1.293 1.00 0.00 N ATOM 807 CA THR A 54 -4.903 4.410 2.013 1.00 0.00 C ATOM 808 C THR A 54 -6.060 3.742 2.762 1.00 0.00 C ATOM 809 O THR A 54 -7.142 4.284 2.864 1.00 0.00 O ATOM 810 CB THR A 54 -3.817 4.821 3.006 1.00 0.00 C ATOM 811 OG1 THR A 54 -4.393 5.607 4.039 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.748 5.636 2.279 1.00 0.00 C ATOM 0 H THR A 54 -5.878 6.304 1.873 1.00 0.00 H new ATOM 0 HA THR A 54 -4.491 3.703 1.293 1.00 0.00 H new ATOM 0 HB THR A 54 -3.363 3.930 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.697 5.869 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.972 5.930 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.307 5.032 1.486 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.202 6.528 1.846 1.00 0.00 H new ATOM 820 N LYS A 55 -5.834 2.562 3.278 1.00 0.00 N ATOM 821 CA LYS A 55 -6.910 1.840 4.017 1.00 0.00 C ATOM 822 C LYS A 55 -7.703 2.823 4.884 1.00 0.00 C ATOM 823 O LYS A 55 -7.147 3.595 5.639 1.00 0.00 O ATOM 824 CB LYS A 55 -6.280 0.764 4.907 1.00 0.00 C ATOM 825 CG LYS A 55 -6.232 -0.566 4.150 1.00 0.00 C ATOM 826 CD LYS A 55 -7.580 -1.282 4.280 1.00 0.00 C ATOM 827 CE LYS A 55 -7.883 -2.038 2.985 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.354 -2.037 2.737 1.00 0.00 N ATOM 0 H LYS A 55 -4.945 2.065 3.218 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.586 1.374 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.274 1.064 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.859 0.651 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.003 -0.389 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.435 -1.194 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.556 -1.975 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.370 -0.559 4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.363 -1.570 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.517 -3.062 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.583 -2.738 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.854 -2.279 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.652 -1.093 2.418 1.00 0.00 H new ATOM 842 N THR A 56 -9.005 2.794 4.780 1.00 0.00 N ATOM 843 CA THR A 56 -9.850 3.718 5.592 1.00 0.00 C ATOM 844 C THR A 56 -10.950 2.913 6.273 1.00 0.00 C ATOM 845 O THR A 56 -10.976 2.754 7.476 1.00 0.00 O ATOM 846 CB THR A 56 -10.474 4.778 4.674 1.00 0.00 C ATOM 847 OG1 THR A 56 -9.499 5.765 4.369 1.00 0.00 O ATOM 848 CG2 THR A 56 -11.668 5.440 5.368 1.00 0.00 C ATOM 0 H THR A 56 -9.522 2.167 4.164 1.00 0.00 H new ATOM 0 HA THR A 56 -9.240 4.214 6.347 1.00 0.00 H new ATOM 0 HB THR A 56 -10.817 4.300 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.761 5.353 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.103 6.190 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.418 4.684 5.602 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.334 5.917 6.289 1.00 0.00 H new ATOM 856 N SER A 57 -11.850 2.404 5.498 1.00 0.00 N ATOM 857 CA SER A 57 -12.961 1.598 6.054 1.00 0.00 C ATOM 858 C SER A 57 -13.648 0.852 4.912 1.00 0.00 C ATOM 859 O SER A 57 -14.821 1.031 4.654 1.00 0.00 O ATOM 860 CB SER A 57 -13.965 2.512 6.757 1.00 0.00 C ATOM 861 OG SER A 57 -14.552 3.387 5.803 1.00 0.00 O ATOM 0 H SER A 57 -11.866 2.513 4.484 1.00 0.00 H new ATOM 0 HA SER A 57 -12.572 0.883 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.737 1.917 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.466 3.088 7.537 1.00 0.00 H new ATOM 0 HG SER A 57 -15.112 2.870 5.186 1.00 0.00 H new ATOM 867 N GLY A 58 -12.919 0.018 4.224 1.00 0.00 N ATOM 868 CA GLY A 58 -13.515 -0.747 3.095 1.00 0.00 C ATOM 869 C GLY A 58 -12.811 -2.097 2.982 1.00 0.00 C ATOM 870 O GLY A 58 -11.956 -2.428 3.779 1.00 0.00 O ATOM 0 H GLY A 58 -11.931 -0.167 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.583 -0.892 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.410 -0.189 2.165 1.00 0.00 H new ATOM 874 N LYS A 59 -13.159 -2.881 2.001 1.00 0.00 N ATOM 875 CA LYS A 59 -12.504 -4.209 1.848 1.00 0.00 C ATOM 876 C LYS A 59 -12.169 -4.457 0.377 1.00 0.00 C ATOM 877 O LYS A 59 -12.088 -5.585 -0.065 1.00 0.00 O ATOM 878 CB LYS A 59 -13.446 -5.304 2.348 1.00 0.00 C ATOM 879 CG LYS A 59 -14.787 -5.204 1.615 1.00 0.00 C ATOM 880 CD LYS A 59 -15.593 -6.482 1.854 1.00 0.00 C ATOM 881 CE LYS A 59 -17.075 -6.213 1.583 1.00 0.00 C ATOM 882 NZ LYS A 59 -17.808 -6.124 2.878 1.00 0.00 N ATOM 0 H LYS A 59 -13.867 -2.661 1.300 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.584 -4.224 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.001 -6.285 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.599 -5.203 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.345 -4.337 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.621 -5.060 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.233 -7.278 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.457 -6.823 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.191 -5.285 1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -17.494 -7.010 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -18.815 -5.941 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -17.707 -7.020 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -17.413 -5.349 3.448 1.00 0.00 H new ATOM 896 N CYS A 60 -11.969 -3.414 -0.381 1.00 0.00 N ATOM 897 CA CYS A 60 -11.632 -3.590 -1.823 1.00 0.00 C ATOM 898 C CYS A 60 -12.807 -4.238 -2.557 1.00 0.00 C ATOM 899 O CYS A 60 -12.942 -5.446 -2.590 1.00 0.00 O ATOM 900 CB CYS A 60 -10.398 -4.485 -1.952 1.00 0.00 C ATOM 901 SG CYS A 60 -9.963 -4.673 -3.702 1.00 0.00 S ATOM 0 H CYS A 60 -12.024 -2.446 -0.064 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.427 -2.615 -2.264 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.562 -4.050 -1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.596 -5.461 -1.509 1.00 0.00 H new ATOM 906 N ASN A 61 -13.653 -3.445 -3.155 1.00 0.00 N ATOM 907 CA ASN A 61 -14.813 -4.014 -3.897 1.00 0.00 C ATOM 908 C ASN A 61 -14.964 -3.272 -5.233 1.00 0.00 C ATOM 909 O ASN A 61 -15.027 -2.060 -5.256 1.00 0.00 O ATOM 910 CB ASN A 61 -16.091 -3.836 -3.071 1.00 0.00 C ATOM 911 CG ASN A 61 -17.103 -4.914 -3.458 1.00 0.00 C ATOM 912 OD1 ASN A 61 -16.868 -6.088 -3.253 1.00 0.00 O ATOM 913 ND2 ASN A 61 -18.230 -4.561 -4.009 1.00 0.00 N ATOM 0 H ASN A 61 -13.591 -2.427 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.646 -5.076 -4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.861 -3.903 -2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -16.514 -2.846 -3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.915 -5.271 -4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.427 -3.575 -4.181 1.00 0.00 H new ATOM 920 N PRO A 62 -15.014 -4.019 -6.310 1.00 0.00 N ATOM 921 CA PRO A 62 -15.158 -3.435 -7.654 1.00 0.00 C ATOM 922 C PRO A 62 -16.460 -2.638 -7.747 1.00 0.00 C ATOM 923 O PRO A 62 -17.542 -3.187 -7.679 1.00 0.00 O ATOM 924 CB PRO A 62 -15.188 -4.638 -8.606 1.00 0.00 C ATOM 925 CG PRO A 62 -15.021 -5.919 -7.750 1.00 0.00 C ATOM 926 CD PRO A 62 -14.933 -5.489 -6.278 1.00 0.00 C ATOM 0 HA PRO A 62 -14.349 -2.745 -7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -16.128 -4.666 -9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.388 -4.563 -9.343 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -15.864 -6.593 -7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.122 -6.461 -8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -15.746 -5.917 -5.692 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.001 -5.824 -5.823 1.00 0.00 H new ATOM 934 N ALA A 63 -16.361 -1.348 -7.900 1.00 0.00 N ATOM 935 CA ALA A 63 -17.590 -0.512 -7.998 1.00 0.00 C ATOM 936 C ALA A 63 -17.196 0.939 -8.278 1.00 0.00 C ATOM 937 O ALA A 63 -17.961 1.625 -8.936 1.00 0.00 O ATOM 938 CB ALA A 63 -18.365 -0.588 -6.680 1.00 0.00 C ATOM 939 OXT ALA A 63 -16.135 1.341 -7.830 1.00 0.00 O ATOM 0 H ALA A 63 -15.481 -0.835 -7.962 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.218 -0.880 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -19.264 0.024 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -18.644 -1.623 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -17.739 -0.219 -5.868 1.00 0.00 H new TER 945 ALA A 63