USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 14 ASN : amide:sc= -0.928 K(o=-3,f=-7.1!) USER MOD Set 1.2: A 17 MET CE :methyl 146:sc= -2.07 (180deg=-5.84!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0371) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -5:sc= 0.987 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 28 SER OG : rot -5:sc= 0.337! USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0668 USER MOD Single : A 40 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-6!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.79 K(o=-1.8,f=-4) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -155:sc= -0.101 (180deg=-0.509) USER MOD Single : A 63 HIS : no HD1:sc=-0.00442 X(o=-0.0044,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -62:sc= 0.3 USER MOD Single : A 69 SER OG : rot 33:sc= 0.307 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc=-0.000753 X(o=-0.00075,f=-0.025) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot -16:sc= 0.942 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.765 22.464 7.789 1.00 0.00 N ATOM 2 CA GLY A 1 -17.080 22.107 7.290 1.00 0.00 C ATOM 3 C GLY A 1 -17.236 20.614 7.083 1.00 0.00 C ATOM 4 O GLY A 1 -18.276 20.041 7.405 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.736 23.483 7.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.567 21.930 8.659 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.048 22.235 7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.838 22.454 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.259 22.622 6.346 1.00 0.00 H new ATOM 8 N SER A 2 -16.200 19.982 6.541 1.00 0.00 N ATOM 9 CA SER A 2 -16.228 18.547 6.285 1.00 0.00 C ATOM 10 C SER A 2 -15.798 17.766 7.523 1.00 0.00 C ATOM 11 O SER A 2 -14.664 17.889 7.985 1.00 0.00 O ATOM 12 CB SER A 2 -15.316 18.199 5.106 1.00 0.00 C ATOM 13 OG SER A 2 -15.931 18.526 3.873 1.00 0.00 O ATOM 0 H SER A 2 -15.330 20.442 6.271 1.00 0.00 H new ATOM 0 HA SER A 2 -17.252 18.267 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.373 18.738 5.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.079 17.135 5.127 1.00 0.00 H new ATOM 0 HG SER A 2 -15.328 18.296 3.136 1.00 0.00 H new ATOM 19 N SER A 3 -16.713 16.962 8.055 1.00 0.00 N ATOM 20 CA SER A 3 -16.431 16.163 9.242 1.00 0.00 C ATOM 21 C SER A 3 -17.460 15.047 9.403 1.00 0.00 C ATOM 22 O SER A 3 -18.629 15.211 9.055 1.00 0.00 O ATOM 23 CB SER A 3 -16.423 17.049 10.489 1.00 0.00 C ATOM 24 OG SER A 3 -15.320 17.937 10.476 1.00 0.00 O ATOM 0 H SER A 3 -17.656 16.847 7.683 1.00 0.00 H new ATOM 0 HA SER A 3 -15.447 15.711 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.351 17.618 10.541 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.381 16.425 11.382 1.00 0.00 H new ATOM 0 HG SER A 3 -14.752 17.742 9.701 1.00 0.00 H new ATOM 30 N GLY A 4 -17.015 13.912 9.933 1.00 0.00 N ATOM 31 CA GLY A 4 -17.908 12.787 10.131 1.00 0.00 C ATOM 32 C GLY A 4 -17.162 11.479 10.308 1.00 0.00 C ATOM 33 O GLY A 4 -16.000 11.362 9.922 1.00 0.00 O ATOM 0 H GLY A 4 -16.052 13.752 10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.528 12.970 11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.580 12.706 9.277 1.00 0.00 H new ATOM 37 N SER A 5 -17.831 10.492 10.898 1.00 0.00 N ATOM 38 CA SER A 5 -17.223 9.188 11.131 1.00 0.00 C ATOM 39 C SER A 5 -17.680 8.179 10.081 1.00 0.00 C ATOM 40 O SER A 5 -18.566 8.464 9.276 1.00 0.00 O ATOM 41 CB SER A 5 -17.574 8.681 12.530 1.00 0.00 C ATOM 42 OG SER A 5 -18.976 8.546 12.687 1.00 0.00 O ATOM 0 H SER A 5 -18.795 10.572 11.223 1.00 0.00 H new ATOM 0 HA SER A 5 -16.142 9.300 11.054 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.091 7.719 12.703 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.186 9.372 13.279 1.00 0.00 H new ATOM 0 HG SER A 5 -19.174 8.219 13.589 1.00 0.00 H new ATOM 48 N SER A 6 -17.069 6.999 10.098 1.00 0.00 N ATOM 49 CA SER A 6 -17.410 5.948 9.146 1.00 0.00 C ATOM 50 C SER A 6 -16.653 4.662 9.463 1.00 0.00 C ATOM 51 O SER A 6 -15.717 4.660 10.260 1.00 0.00 O ATOM 52 CB SER A 6 -17.094 6.401 7.719 1.00 0.00 C ATOM 53 OG SER A 6 -15.720 6.229 7.422 1.00 0.00 O ATOM 0 H SER A 6 -16.335 6.747 10.760 1.00 0.00 H new ATOM 0 HA SER A 6 -18.479 5.750 9.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.696 5.831 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.367 7.449 7.598 1.00 0.00 H new ATOM 0 HG SER A 6 -15.544 6.524 6.504 1.00 0.00 H new ATOM 59 N GLY A 7 -17.068 3.569 8.830 1.00 0.00 N ATOM 60 CA GLY A 7 -16.419 2.290 9.057 1.00 0.00 C ATOM 61 C GLY A 7 -17.403 1.197 9.424 1.00 0.00 C ATOM 62 O GLY A 7 -17.614 0.244 8.674 1.00 0.00 O ATOM 0 H GLY A 7 -17.841 3.546 8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.875 1.998 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.684 2.396 9.855 1.00 0.00 H new ATOM 66 N PRO A 8 -18.024 1.328 10.606 1.00 0.00 N ATOM 67 CA PRO A 8 -19.001 0.352 11.099 1.00 0.00 C ATOM 68 C PRO A 8 -20.301 0.379 10.301 1.00 0.00 C ATOM 69 O PRO A 8 -21.199 -0.429 10.534 1.00 0.00 O ATOM 70 CB PRO A 8 -19.250 0.797 12.542 1.00 0.00 C ATOM 71 CG PRO A 8 -18.930 2.252 12.550 1.00 0.00 C ATOM 72 CD PRO A 8 -17.822 2.439 11.551 1.00 0.00 C ATOM 0 HA PRO A 8 -18.635 -0.671 11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.283 0.617 12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.618 0.249 13.240 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.804 2.845 12.279 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.619 2.578 13.543 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.888 3.407 11.054 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.841 2.391 12.025 1.00 0.00 H new ATOM 80 N ARG A 9 -20.393 1.314 9.361 1.00 0.00 N ATOM 81 CA ARG A 9 -21.584 1.446 8.530 1.00 0.00 C ATOM 82 C ARG A 9 -21.366 0.806 7.162 1.00 0.00 C ATOM 83 O ARG A 9 -20.474 1.204 6.415 1.00 0.00 O ATOM 84 CB ARG A 9 -21.952 2.921 8.361 1.00 0.00 C ATOM 85 CG ARG A 9 -22.855 3.453 9.462 1.00 0.00 C ATOM 86 CD ARG A 9 -24.323 3.218 9.141 1.00 0.00 C ATOM 87 NE ARG A 9 -24.779 1.907 9.599 1.00 0.00 N ATOM 88 CZ ARG A 9 -25.878 1.314 9.148 1.00 0.00 C ATOM 89 NH1 ARG A 9 -26.629 1.909 8.232 1.00 0.00 N ATOM 90 NH2 ARG A 9 -26.228 0.121 9.612 1.00 0.00 N ATOM 0 H ARG A 9 -19.658 1.991 9.156 1.00 0.00 H new ATOM 0 HA ARG A 9 -22.404 0.928 9.028 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.038 3.514 8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -22.448 3.055 7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -22.605 2.967 10.405 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -22.677 4.520 9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -24.926 3.996 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -24.477 3.300 8.065 1.00 0.00 H new ATOM 0 HE ARG A 9 -24.223 1.422 10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -26.363 2.825 7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -27.473 1.450 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -25.653 -0.341 10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -27.073 -0.334 9.265 1.00 0.00 H new ATOM 104 N GLU A 10 -22.188 -0.190 6.843 1.00 0.00 N ATOM 105 CA GLU A 10 -22.083 -0.886 5.566 1.00 0.00 C ATOM 106 C GLU A 10 -20.666 -1.405 5.344 1.00 0.00 C ATOM 107 O GLU A 10 -20.047 -1.171 4.306 1.00 0.00 O ATOM 108 CB GLU A 10 -22.483 0.044 4.419 1.00 0.00 C ATOM 109 CG GLU A 10 -23.965 -0.001 4.086 1.00 0.00 C ATOM 110 CD GLU A 10 -24.247 0.342 2.637 1.00 0.00 C ATOM 111 OE1 GLU A 10 -23.844 1.439 2.196 1.00 0.00 O ATOM 112 OE2 GLU A 10 -24.873 -0.487 1.941 1.00 0.00 O ATOM 0 H GLU A 10 -22.933 -0.532 7.451 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.763 -1.737 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.209 1.066 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -21.911 -0.223 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.352 -0.997 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.500 0.696 4.731 1.00 0.00 H new ATOM 119 N PRO A 11 -20.138 -2.129 6.343 1.00 0.00 N ATOM 120 CA PRO A 11 -18.788 -2.697 6.281 1.00 0.00 C ATOM 121 C PRO A 11 -18.684 -3.835 5.271 1.00 0.00 C ATOM 122 O PRO A 11 -19.693 -4.317 4.756 1.00 0.00 O ATOM 123 CB PRO A 11 -18.558 -3.220 7.701 1.00 0.00 C ATOM 124 CG PRO A 11 -19.925 -3.483 8.233 1.00 0.00 C ATOM 125 CD PRO A 11 -20.818 -2.448 7.609 1.00 0.00 C ATOM 0 HA PRO A 11 -18.051 -1.962 5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.954 -4.127 7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.029 -2.488 8.312 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -20.256 -4.489 7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -19.942 -3.408 9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -21.823 -2.834 7.439 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -20.918 -1.568 8.244 1.00 0.00 H new ATOM 133 N VAL A 12 -17.456 -4.261 4.991 1.00 0.00 N ATOM 134 CA VAL A 12 -17.220 -5.343 4.043 1.00 0.00 C ATOM 135 C VAL A 12 -15.957 -6.119 4.399 1.00 0.00 C ATOM 136 O VAL A 12 -14.969 -5.543 4.853 1.00 0.00 O ATOM 137 CB VAL A 12 -17.094 -4.811 2.603 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.825 -5.951 1.634 1.00 0.00 C ATOM 139 CG2 VAL A 12 -18.348 -4.047 2.206 1.00 0.00 C ATOM 0 H VAL A 12 -16.610 -3.873 5.407 1.00 0.00 H new ATOM 0 HA VAL A 12 -18.081 -6.009 4.102 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.249 -4.124 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.739 -5.556 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.896 -6.450 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.647 -6.666 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -18.242 -3.678 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -19.211 -4.710 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -18.491 -3.205 2.883 1.00 0.00 H new ATOM 149 N VAL A 13 -15.996 -7.431 4.188 1.00 0.00 N ATOM 150 CA VAL A 13 -14.854 -8.287 4.486 1.00 0.00 C ATOM 151 C VAL A 13 -13.887 -8.342 3.308 1.00 0.00 C ATOM 152 O VAL A 13 -14.299 -8.273 2.150 1.00 0.00 O ATOM 153 CB VAL A 13 -15.301 -9.719 4.835 1.00 0.00 C ATOM 154 CG1 VAL A 13 -16.290 -10.237 3.800 1.00 0.00 C ATOM 155 CG2 VAL A 13 -14.097 -10.642 4.942 1.00 0.00 C ATOM 0 H VAL A 13 -16.806 -7.924 3.812 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.349 -7.852 5.348 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.801 -9.699 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.595 -11.250 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.166 -9.589 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.818 -10.244 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.432 -11.649 5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.566 -10.659 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.429 -10.280 5.723 1.00 0.00 H new ATOM 165 N ASN A 14 -12.599 -8.466 3.612 1.00 0.00 N ATOM 166 CA ASN A 14 -11.573 -8.530 2.578 1.00 0.00 C ATOM 167 C ASN A 14 -10.208 -8.841 3.185 1.00 0.00 C ATOM 168 O ASN A 14 -10.076 -8.985 4.401 1.00 0.00 O ATOM 169 CB ASN A 14 -11.512 -7.209 1.808 1.00 0.00 C ATOM 170 CG ASN A 14 -10.855 -7.360 0.450 1.00 0.00 C ATOM 171 OD1 ASN A 14 -9.723 -6.925 0.242 1.00 0.00 O ATOM 172 ND2 ASN A 14 -11.567 -7.982 -0.484 1.00 0.00 N ATOM 0 H ASN A 14 -12.241 -8.524 4.565 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.836 -9.333 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.522 -6.820 1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -10.961 -6.475 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.178 -8.115 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.502 -8.327 -0.267 1.00 0.00 H new ATOM 179 N ASP A 15 -9.196 -8.944 2.330 1.00 0.00 N ATOM 180 CA ASP A 15 -7.841 -9.237 2.781 1.00 0.00 C ATOM 181 C ASP A 15 -6.975 -7.982 2.750 1.00 0.00 C ATOM 182 O ASP A 15 -6.142 -7.769 3.631 1.00 0.00 O ATOM 183 CB ASP A 15 -7.214 -10.326 1.910 1.00 0.00 C ATOM 184 CG ASP A 15 -5.776 -10.617 2.291 1.00 0.00 C ATOM 185 OD1 ASP A 15 -5.414 -10.382 3.463 1.00 0.00 O ATOM 186 OD2 ASP A 15 -5.012 -11.079 1.417 1.00 0.00 O ATOM 0 H ASP A 15 -9.289 -8.829 1.321 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.896 -9.593 3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.802 -11.240 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.255 -10.019 0.865 1.00 0.00 H new ATOM 191 N GLU A 16 -7.176 -7.154 1.729 1.00 0.00 N ATOM 192 CA GLU A 16 -6.411 -5.922 1.582 1.00 0.00 C ATOM 193 C GLU A 16 -6.943 -4.838 2.515 1.00 0.00 C ATOM 194 O GLU A 16 -7.105 -3.685 2.115 1.00 0.00 O ATOM 195 CB GLU A 16 -6.463 -5.433 0.132 1.00 0.00 C ATOM 196 CG GLU A 16 -5.217 -4.679 -0.300 1.00 0.00 C ATOM 197 CD GLU A 16 -5.435 -3.865 -1.561 1.00 0.00 C ATOM 198 OE1 GLU A 16 -5.300 -4.436 -2.665 1.00 0.00 O ATOM 199 OE2 GLU A 16 -5.741 -2.661 -1.445 1.00 0.00 O ATOM 0 H GLU A 16 -7.862 -7.315 0.992 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.376 -6.133 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.606 -6.290 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.331 -4.786 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.900 -4.016 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.407 -5.389 -0.466 1.00 0.00 H new ATOM 206 N MET A 17 -7.213 -5.217 3.760 1.00 0.00 N ATOM 207 CA MET A 17 -7.725 -4.277 4.751 1.00 0.00 C ATOM 208 C MET A 17 -6.610 -3.801 5.676 1.00 0.00 C ATOM 209 O MET A 17 -6.006 -4.595 6.397 1.00 0.00 O ATOM 210 CB MET A 17 -8.842 -4.926 5.570 1.00 0.00 C ATOM 211 CG MET A 17 -9.941 -5.542 4.720 1.00 0.00 C ATOM 212 SD MET A 17 -11.034 -4.304 3.996 1.00 0.00 S ATOM 213 CE MET A 17 -10.211 -3.997 2.435 1.00 0.00 C ATOM 0 H MET A 17 -7.086 -6.168 4.107 1.00 0.00 H new ATOM 0 HA MET A 17 -8.127 -3.413 4.222 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.412 -5.698 6.208 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.281 -4.176 6.229 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.490 -6.134 3.923 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.528 -6.226 5.332 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.955 -3.784 1.667 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.542 -3.143 2.538 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.635 -4.877 2.148 1.00 0.00 H new ATOM 223 N CYS A 18 -6.341 -2.500 5.649 1.00 0.00 N ATOM 224 CA CYS A 18 -5.298 -1.917 6.485 1.00 0.00 C ATOM 225 C CYS A 18 -5.387 -2.446 7.914 1.00 0.00 C ATOM 226 O CYS A 18 -6.477 -2.573 8.473 1.00 0.00 O ATOM 227 CB CYS A 18 -5.410 -0.391 6.487 1.00 0.00 C ATOM 228 SG CYS A 18 -4.082 0.451 7.406 1.00 0.00 S ATOM 0 H CYS A 18 -6.831 -1.829 5.057 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.332 -2.203 6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.406 -0.036 5.457 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.371 -0.108 6.918 1.00 0.00 H new ATOM 233 N ASP A 19 -4.234 -2.751 8.498 1.00 0.00 N ATOM 234 CA ASP A 19 -4.181 -3.265 9.862 1.00 0.00 C ATOM 235 C ASP A 19 -4.460 -2.156 10.872 1.00 0.00 C ATOM 236 O ASP A 19 -4.387 -2.371 12.082 1.00 0.00 O ATOM 237 CB ASP A 19 -2.814 -3.892 10.141 1.00 0.00 C ATOM 238 CG ASP A 19 -2.585 -5.160 9.341 1.00 0.00 C ATOM 239 OD1 ASP A 19 -2.599 -5.085 8.094 1.00 0.00 O ATOM 240 OD2 ASP A 19 -2.393 -6.227 9.962 1.00 0.00 O ATOM 0 H ASP A 19 -3.324 -2.651 8.049 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.951 -4.029 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.032 -3.171 9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.731 -4.117 11.204 1.00 0.00 H new ATOM 245 N VAL A 20 -4.780 -0.969 10.366 1.00 0.00 N ATOM 246 CA VAL A 20 -5.070 0.174 11.223 1.00 0.00 C ATOM 247 C VAL A 20 -6.389 0.832 10.835 1.00 0.00 C ATOM 248 O VAL A 20 -7.081 1.405 11.676 1.00 0.00 O ATOM 249 CB VAL A 20 -3.945 1.225 11.158 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.266 2.408 12.060 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.611 0.602 11.535 1.00 0.00 C ATOM 0 H VAL A 20 -4.845 -0.774 9.367 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.143 -0.206 12.242 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.872 1.590 10.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.460 3.140 12.001 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.199 2.869 11.737 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.369 2.064 13.089 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.828 1.359 11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.668 0.207 12.549 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.379 -0.207 10.843 1.00 0.00 H new ATOM 261 N CYS A 21 -6.732 0.745 9.554 1.00 0.00 N ATOM 262 CA CYS A 21 -7.968 1.331 9.051 1.00 0.00 C ATOM 263 C CYS A 21 -8.945 0.245 8.612 1.00 0.00 C ATOM 264 O CYS A 21 -10.158 0.459 8.591 1.00 0.00 O ATOM 265 CB CYS A 21 -7.673 2.271 7.880 1.00 0.00 C ATOM 266 SG CYS A 21 -6.445 3.562 8.256 1.00 0.00 S ATOM 0 H CYS A 21 -6.170 0.274 8.845 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.425 1.902 9.859 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.318 1.681 7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.602 2.748 7.568 1.00 0.00 H new ATOM 271 N GLU A 22 -8.409 -0.919 8.262 1.00 0.00 N ATOM 272 CA GLU A 22 -9.235 -2.039 7.822 1.00 0.00 C ATOM 273 C GLU A 22 -10.095 -1.643 6.625 1.00 0.00 C ATOM 274 O GLU A 22 -11.255 -2.042 6.523 1.00 0.00 O ATOM 275 CB GLU A 22 -10.126 -2.525 8.968 1.00 0.00 C ATOM 276 CG GLU A 22 -9.475 -3.587 9.837 1.00 0.00 C ATOM 277 CD GLU A 22 -10.489 -4.442 10.570 1.00 0.00 C ATOM 278 OE1 GLU A 22 -11.279 -3.881 11.358 1.00 0.00 O ATOM 279 OE2 GLU A 22 -10.492 -5.673 10.358 1.00 0.00 O ATOM 0 H GLU A 22 -7.408 -1.112 8.274 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.573 -2.850 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.398 -1.674 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.051 -2.924 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.848 -4.226 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.819 -3.106 10.562 1.00 0.00 H new ATOM 286 N VAL A 23 -9.518 -0.856 5.723 1.00 0.00 N ATOM 287 CA VAL A 23 -10.231 -0.405 4.534 1.00 0.00 C ATOM 288 C VAL A 23 -9.270 -0.171 3.374 1.00 0.00 C ATOM 289 O VAL A 23 -8.092 0.123 3.581 1.00 0.00 O ATOM 290 CB VAL A 23 -11.016 0.890 4.807 1.00 0.00 C ATOM 291 CG1 VAL A 23 -12.170 0.625 5.762 1.00 0.00 C ATOM 292 CG2 VAL A 23 -10.093 1.967 5.359 1.00 0.00 C ATOM 0 H VAL A 23 -8.558 -0.517 5.793 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.933 -1.195 4.267 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.431 1.247 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -12.713 1.553 5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.844 -0.110 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.781 0.243 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.665 2.876 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.647 1.621 6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.305 2.177 4.635 1.00 0.00 H new ATOM 302 N TRP A 24 -9.780 -0.300 2.154 1.00 0.00 N ATOM 303 CA TRP A 24 -8.967 -0.101 0.960 1.00 0.00 C ATOM 304 C TRP A 24 -9.480 1.078 0.143 1.00 0.00 C ATOM 305 O TRP A 24 -10.414 1.770 0.550 1.00 0.00 O ATOM 306 CB TRP A 24 -8.963 -1.369 0.104 1.00 0.00 C ATOM 307 CG TRP A 24 -10.123 -1.450 -0.843 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.400 -1.828 -0.544 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.109 -1.146 -2.241 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.182 -1.778 -1.672 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.414 -1.362 -2.727 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.123 -0.710 -3.131 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -11.754 -1.158 -4.061 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -9.463 -0.508 -4.455 1.00 0.00 C ATOM 315 CH2 TRP A 24 -10.769 -0.732 -4.910 1.00 0.00 C ATOM 0 H TRP A 24 -10.753 -0.542 1.966 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.947 0.118 1.277 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.035 -1.411 -0.465 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -8.976 -2.241 0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.745 -2.123 0.436 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.174 -2.013 -1.717 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.114 -0.534 -2.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.760 -1.330 -4.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.709 -0.172 -5.151 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.003 -0.565 -5.951 1.00 0.00 H new ATOM 326 N THR A 25 -8.865 1.304 -1.013 1.00 0.00 N ATOM 327 CA THR A 25 -9.260 2.401 -1.888 1.00 0.00 C ATOM 328 C THR A 25 -8.825 2.142 -3.326 1.00 0.00 C ATOM 329 O THR A 25 -7.777 1.544 -3.570 1.00 0.00 O ATOM 330 CB THR A 25 -8.659 3.739 -1.416 1.00 0.00 C ATOM 331 OG1 THR A 25 -8.774 3.853 0.007 1.00 0.00 O ATOM 332 CG2 THR A 25 -9.362 4.912 -2.083 1.00 0.00 C ATOM 0 H THR A 25 -8.091 0.742 -1.366 1.00 0.00 H new ATOM 0 HA THR A 25 -10.347 2.463 -1.846 1.00 0.00 H new ATOM 0 HB THR A 25 -7.606 3.759 -1.697 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.388 4.705 0.299 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.921 5.846 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.248 4.838 -3.164 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.422 4.894 -1.828 1.00 0.00 H new ATOM 340 N ALA A 26 -9.636 2.595 -4.275 1.00 0.00 N ATOM 341 CA ALA A 26 -9.334 2.413 -5.691 1.00 0.00 C ATOM 342 C ALA A 26 -7.838 2.548 -5.953 1.00 0.00 C ATOM 343 O ALA A 26 -7.197 1.612 -6.430 1.00 0.00 O ATOM 344 CB ALA A 26 -10.113 3.417 -6.529 1.00 0.00 C ATOM 0 H ALA A 26 -10.508 3.091 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.637 1.406 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.879 3.270 -7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.182 3.271 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.837 4.429 -6.233 1.00 0.00 H new ATOM 350 N GLU A 27 -7.290 3.718 -5.640 1.00 0.00 N ATOM 351 CA GLU A 27 -5.869 3.974 -5.845 1.00 0.00 C ATOM 352 C GLU A 27 -5.024 2.833 -5.283 1.00 0.00 C ATOM 353 O GLU A 27 -5.543 1.921 -4.641 1.00 0.00 O ATOM 354 CB GLU A 27 -5.466 5.294 -5.186 1.00 0.00 C ATOM 355 CG GLU A 27 -6.068 6.517 -5.857 1.00 0.00 C ATOM 356 CD GLU A 27 -6.222 7.688 -4.906 1.00 0.00 C ATOM 357 OE1 GLU A 27 -6.983 7.558 -3.924 1.00 0.00 O ATOM 358 OE2 GLU A 27 -5.582 8.734 -5.142 1.00 0.00 O ATOM 0 H GLU A 27 -7.808 4.503 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.689 4.042 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.772 5.276 -4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.380 5.380 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.437 6.815 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.043 6.258 -6.269 1.00 0.00 H new ATOM 365 N SER A 28 -3.721 2.894 -5.531 1.00 0.00 N ATOM 366 CA SER A 28 -2.803 1.865 -5.054 1.00 0.00 C ATOM 367 C SER A 28 -2.569 2.000 -3.553 1.00 0.00 C ATOM 368 O SER A 28 -2.188 3.064 -3.065 1.00 0.00 O ATOM 369 CB SER A 28 -1.470 1.955 -5.800 1.00 0.00 C ATOM 370 OG SER A 28 -0.649 2.973 -5.255 1.00 0.00 O ATOM 0 H SER A 28 -3.276 3.644 -6.059 1.00 0.00 H new ATOM 0 HA SER A 28 -3.254 0.892 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.953 0.997 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.653 2.157 -6.855 1.00 0.00 H new ATOM 0 HG SER A 28 -1.143 3.454 -4.559 1.00 0.00 H new ATOM 376 N LEU A 29 -2.800 0.913 -2.825 1.00 0.00 N ATOM 377 CA LEU A 29 -2.614 0.908 -1.378 1.00 0.00 C ATOM 378 C LEU A 29 -1.139 0.753 -1.018 1.00 0.00 C ATOM 379 O LEU A 29 -0.388 0.070 -1.715 1.00 0.00 O ATOM 380 CB LEU A 29 -3.425 -0.224 -0.744 1.00 0.00 C ATOM 381 CG LEU A 29 -3.671 -0.112 0.761 1.00 0.00 C ATOM 382 CD1 LEU A 29 -4.683 0.984 1.057 1.00 0.00 C ATOM 383 CD2 LEU A 29 -4.143 -1.444 1.325 1.00 0.00 C ATOM 0 H LEU A 29 -3.116 0.024 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.966 1.863 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.391 -0.278 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.911 -1.165 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.730 0.151 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.845 1.049 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.305 1.938 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.626 0.752 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.313 -1.345 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.072 -1.738 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.383 -2.205 1.147 1.00 0.00 H new ATOM 395 N PHE A 30 -0.732 1.392 0.074 1.00 0.00 N ATOM 396 CA PHE A 30 0.652 1.325 0.527 1.00 0.00 C ATOM 397 C PHE A 30 0.791 0.374 1.713 1.00 0.00 C ATOM 398 O PHE A 30 -0.154 0.137 2.464 1.00 0.00 O ATOM 399 CB PHE A 30 1.152 2.719 0.916 1.00 0.00 C ATOM 400 CG PHE A 30 1.451 3.599 -0.264 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.554 3.698 -1.316 1.00 0.00 C ATOM 402 CD2 PHE A 30 2.629 4.326 -0.321 1.00 0.00 C ATOM 403 CE1 PHE A 30 0.829 4.506 -2.403 1.00 0.00 C ATOM 404 CE2 PHE A 30 2.908 5.137 -1.405 1.00 0.00 C ATOM 405 CZ PHE A 30 2.006 5.227 -2.448 1.00 0.00 C ATOM 0 H PHE A 30 -1.341 1.962 0.661 1.00 0.00 H new ATOM 0 HA PHE A 30 1.259 0.945 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.402 3.204 1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.053 2.617 1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.369 3.138 -1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.338 4.258 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.123 4.574 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.829 5.699 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.221 5.860 -3.296 1.00 0.00 H new ATOM 415 N PRO A 31 1.999 -0.184 1.883 1.00 0.00 N ATOM 416 CA PRO A 31 3.131 0.091 0.994 1.00 0.00 C ATOM 417 C PRO A 31 2.938 -0.514 -0.393 1.00 0.00 C ATOM 418 O PRO A 31 3.091 0.169 -1.406 1.00 0.00 O ATOM 419 CB PRO A 31 4.312 -0.572 1.707 1.00 0.00 C ATOM 420 CG PRO A 31 3.697 -1.647 2.536 1.00 0.00 C ATOM 421 CD PRO A 31 2.351 -1.128 2.957 1.00 0.00 C ATOM 0 HA PRO A 31 3.265 1.159 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.026 -0.982 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.854 0.144 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.598 -2.571 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.317 -1.873 3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.619 -1.931 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.396 -0.634 3.928 1.00 0.00 H new ATOM 429 N CYS A 32 2.603 -1.799 -0.432 1.00 0.00 N ATOM 430 CA CYS A 32 2.390 -2.497 -1.694 1.00 0.00 C ATOM 431 C CYS A 32 0.992 -3.106 -1.749 1.00 0.00 C ATOM 432 O CYS A 32 0.230 -3.025 -0.786 1.00 0.00 O ATOM 433 CB CYS A 32 3.443 -3.591 -1.880 1.00 0.00 C ATOM 434 SG CYS A 32 3.990 -4.369 -0.327 1.00 0.00 S ATOM 0 H CYS A 32 2.473 -2.379 0.397 1.00 0.00 H new ATOM 0 HA CYS A 32 2.483 -1.772 -2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.039 -4.361 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.310 -3.164 -2.385 1.00 0.00 H new ATOM 439 N ARG A 33 0.664 -3.717 -2.883 1.00 0.00 N ATOM 440 CA ARG A 33 -0.643 -4.339 -3.064 1.00 0.00 C ATOM 441 C ARG A 33 -0.515 -5.857 -3.143 1.00 0.00 C ATOM 442 O ARG A 33 -1.475 -6.586 -2.891 1.00 0.00 O ATOM 443 CB ARG A 33 -1.313 -3.808 -4.333 1.00 0.00 C ATOM 444 CG ARG A 33 -0.751 -4.402 -5.614 1.00 0.00 C ATOM 445 CD ARG A 33 0.387 -3.559 -6.167 1.00 0.00 C ATOM 446 NE ARG A 33 -0.099 -2.469 -7.010 1.00 0.00 N ATOM 447 CZ ARG A 33 0.614 -1.920 -7.986 1.00 0.00 C ATOM 448 NH1 ARG A 33 1.839 -2.358 -8.243 1.00 0.00 N ATOM 449 NH2 ARG A 33 0.102 -0.931 -8.709 1.00 0.00 N ATOM 0 H ARG A 33 1.284 -3.795 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.260 -4.087 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.382 -4.017 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.202 -2.724 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.395 -5.414 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.543 -4.479 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.968 -3.148 -5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.060 -4.192 -6.745 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.038 -2.110 -6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.235 -3.118 -7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.385 -1.935 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.840 -0.592 -8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.651 -0.510 -9.459 1.00 0.00 H new ATOM 463 N VAL A 34 0.677 -6.329 -3.493 1.00 0.00 N ATOM 464 CA VAL A 34 0.931 -7.760 -3.603 1.00 0.00 C ATOM 465 C VAL A 34 0.962 -8.421 -2.230 1.00 0.00 C ATOM 466 O VAL A 34 0.285 -9.423 -1.994 1.00 0.00 O ATOM 467 CB VAL A 34 2.263 -8.040 -4.325 1.00 0.00 C ATOM 468 CG1 VAL A 34 2.562 -9.532 -4.335 1.00 0.00 C ATOM 469 CG2 VAL A 34 2.228 -7.486 -5.742 1.00 0.00 C ATOM 0 H VAL A 34 1.483 -5.740 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 34 0.113 -8.182 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 34 3.063 -7.537 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.506 -9.710 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.632 -9.896 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.762 -10.060 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.177 -7.693 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.418 -7.959 -6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.064 -6.409 -5.708 1.00 0.00 H new ATOM 479 N CYS A 35 1.752 -7.854 -1.324 1.00 0.00 N ATOM 480 CA CYS A 35 1.872 -8.386 0.028 1.00 0.00 C ATOM 481 C CYS A 35 0.501 -8.520 0.684 1.00 0.00 C ATOM 482 O CYS A 35 -0.148 -7.522 1.003 1.00 0.00 O ATOM 483 CB CYS A 35 2.770 -7.484 0.877 1.00 0.00 C ATOM 484 SG CYS A 35 4.553 -7.772 0.637 1.00 0.00 S ATOM 0 H CYS A 35 2.319 -7.025 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 35 2.322 -9.376 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.546 -6.443 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.527 -7.634 1.929 1.00 0.00 H new ATOM 489 N THR A 36 0.063 -9.759 0.883 1.00 0.00 N ATOM 490 CA THR A 36 -1.230 -10.024 1.501 1.00 0.00 C ATOM 491 C THR A 36 -1.574 -8.958 2.535 1.00 0.00 C ATOM 492 O THR A 36 -2.606 -8.292 2.434 1.00 0.00 O ATOM 493 CB THR A 36 -1.258 -11.407 2.176 1.00 0.00 C ATOM 494 OG1 THR A 36 -0.132 -11.547 3.052 1.00 0.00 O ATOM 495 CG2 THR A 36 -1.238 -12.518 1.138 1.00 0.00 C ATOM 0 H THR A 36 0.586 -10.596 0.625 1.00 0.00 H new ATOM 0 HA THR A 36 -1.972 -10.004 0.702 1.00 0.00 H new ATOM 0 HB THR A 36 -2.180 -11.486 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.157 -12.429 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.258 -13.485 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.110 -12.427 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.331 -12.439 0.538 1.00 0.00 H new ATOM 503 N ARG A 37 -0.705 -8.801 3.527 1.00 0.00 N ATOM 504 CA ARG A 37 -0.918 -7.816 4.580 1.00 0.00 C ATOM 505 C ARG A 37 -0.644 -6.405 4.068 1.00 0.00 C ATOM 506 O ARG A 37 0.448 -6.110 3.582 1.00 0.00 O ATOM 507 CB ARG A 37 -0.019 -8.118 5.780 1.00 0.00 C ATOM 508 CG ARG A 37 1.442 -8.317 5.412 1.00 0.00 C ATOM 509 CD ARG A 37 2.358 -8.029 6.591 1.00 0.00 C ATOM 510 NE ARG A 37 2.593 -9.219 7.405 1.00 0.00 N ATOM 511 CZ ARG A 37 3.100 -9.181 8.632 1.00 0.00 C ATOM 512 NH1 ARG A 37 3.424 -8.019 9.184 1.00 0.00 N ATOM 513 NH2 ARG A 37 3.283 -10.307 9.310 1.00 0.00 N ATOM 0 H ARG A 37 0.153 -9.343 3.624 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.961 -7.875 4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.096 -7.300 6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.384 -9.015 6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.596 -9.341 5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.701 -7.662 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.311 -7.646 6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.917 -7.248 7.210 1.00 0.00 H new ATOM 0 HE ARG A 37 2.355 -10.129 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.284 -7.152 8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.813 -7.993 10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.034 -11.202 8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.672 -10.277 10.252 1.00 0.00 H new ATOM 527 N VAL A 38 -1.644 -5.536 4.179 1.00 0.00 N ATOM 528 CA VAL A 38 -1.511 -4.156 3.729 1.00 0.00 C ATOM 529 C VAL A 38 -1.609 -3.183 4.900 1.00 0.00 C ATOM 530 O VAL A 38 -2.405 -3.379 5.818 1.00 0.00 O ATOM 531 CB VAL A 38 -2.588 -3.798 2.688 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.431 -4.656 1.441 1.00 0.00 C ATOM 533 CG2 VAL A 38 -3.979 -3.960 3.284 1.00 0.00 C ATOM 0 H VAL A 38 -2.555 -5.764 4.577 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.527 -4.068 3.268 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.459 -2.754 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.200 -4.389 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.447 -4.486 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.533 -5.708 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.728 -3.703 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.121 -4.993 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.085 -3.300 4.145 1.00 0.00 H new ATOM 543 N PHE A 39 -0.794 -2.134 4.859 1.00 0.00 N ATOM 544 CA PHE A 39 -0.789 -1.130 5.917 1.00 0.00 C ATOM 545 C PHE A 39 -0.380 0.235 5.370 1.00 0.00 C ATOM 546 O PHE A 39 0.744 0.418 4.901 1.00 0.00 O ATOM 547 CB PHE A 39 0.162 -1.547 7.040 1.00 0.00 C ATOM 548 CG PHE A 39 1.321 -2.379 6.567 1.00 0.00 C ATOM 549 CD1 PHE A 39 1.145 -3.716 6.248 1.00 0.00 C ATOM 550 CD2 PHE A 39 2.584 -1.824 6.441 1.00 0.00 C ATOM 551 CE1 PHE A 39 2.207 -4.485 5.812 1.00 0.00 C ATOM 552 CE2 PHE A 39 3.650 -2.588 6.005 1.00 0.00 C ATOM 553 CZ PHE A 39 3.462 -3.920 5.692 1.00 0.00 C ATOM 0 H PHE A 39 -0.129 -1.957 4.106 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.801 -1.054 6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.544 -0.653 7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.397 -2.109 7.788 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.166 -4.162 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.737 -0.783 6.686 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.056 -5.526 5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.630 -2.144 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.295 -4.519 5.354 1.00 0.00 H new ATOM 563 N HIS A 40 -1.301 1.192 5.432 1.00 0.00 N ATOM 564 CA HIS A 40 -1.038 2.540 4.943 1.00 0.00 C ATOM 565 C HIS A 40 0.291 3.062 5.480 1.00 0.00 C ATOM 566 O HIS A 40 0.460 3.232 6.687 1.00 0.00 O ATOM 567 CB HIS A 40 -2.172 3.483 5.347 1.00 0.00 C ATOM 568 CG HIS A 40 -3.528 3.003 4.929 1.00 0.00 C ATOM 569 ND1 HIS A 40 -4.694 3.650 5.278 1.00 0.00 N ATOM 570 CD2 HIS A 40 -3.898 1.934 4.187 1.00 0.00 C ATOM 571 CE1 HIS A 40 -5.725 2.999 4.767 1.00 0.00 C ATOM 572 NE2 HIS A 40 -5.269 1.954 4.101 1.00 0.00 N ATOM 0 H HIS A 40 -2.236 1.058 5.816 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.980 2.501 3.855 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.159 3.611 6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.992 4.464 4.908 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -4.752 4.498 5.842 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.239 1.202 3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.763 3.275 4.876 1.00 0.00 H new ATOM 580 N ASP A 41 1.231 3.316 4.576 1.00 0.00 N ATOM 581 CA ASP A 41 2.544 3.818 4.959 1.00 0.00 C ATOM 582 C ASP A 41 2.424 4.875 6.053 1.00 0.00 C ATOM 583 O ASP A 41 3.261 4.949 6.952 1.00 0.00 O ATOM 584 CB ASP A 41 3.264 4.406 3.743 1.00 0.00 C ATOM 585 CG ASP A 41 4.691 4.811 4.053 1.00 0.00 C ATOM 586 OD1 ASP A 41 5.576 3.931 4.025 1.00 0.00 O ATOM 587 OD2 ASP A 41 4.923 6.007 4.327 1.00 0.00 O ATOM 0 H ASP A 41 1.107 3.182 3.572 1.00 0.00 H new ATOM 0 HA ASP A 41 3.126 2.982 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.265 3.673 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.713 5.275 3.384 1.00 0.00 H new ATOM 592 N GLY A 42 1.376 5.690 5.970 1.00 0.00 N ATOM 593 CA GLY A 42 1.166 6.730 6.958 1.00 0.00 C ATOM 594 C GLY A 42 0.805 6.172 8.321 1.00 0.00 C ATOM 595 O GLY A 42 1.477 6.451 9.313 1.00 0.00 O ATOM 0 H GLY A 42 0.669 5.648 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.070 7.333 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.371 7.394 6.619 1.00 0.00 H new ATOM 599 N CYS A 43 -0.263 5.383 8.370 1.00 0.00 N ATOM 600 CA CYS A 43 -0.716 4.785 9.619 1.00 0.00 C ATOM 601 C CYS A 43 0.470 4.341 10.472 1.00 0.00 C ATOM 602 O CYS A 43 0.438 4.442 11.699 1.00 0.00 O ATOM 603 CB CYS A 43 -1.631 3.591 9.337 1.00 0.00 C ATOM 604 SG CYS A 43 -3.368 4.042 9.028 1.00 0.00 S ATOM 0 H CYS A 43 -0.831 5.143 7.558 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.276 5.540 10.171 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.248 3.050 8.472 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.590 2.907 10.185 1.00 0.00 H new ATOM 609 N LEU A 44 1.513 3.851 9.812 1.00 0.00 N ATOM 610 CA LEU A 44 2.710 3.391 10.508 1.00 0.00 C ATOM 611 C LEU A 44 3.421 4.553 11.194 1.00 0.00 C ATOM 612 O LEU A 44 3.699 4.503 12.392 1.00 0.00 O ATOM 613 CB LEU A 44 3.661 2.703 9.527 1.00 0.00 C ATOM 614 CG LEU A 44 3.054 1.591 8.672 1.00 0.00 C ATOM 615 CD1 LEU A 44 3.959 1.271 7.492 1.00 0.00 C ATOM 616 CD2 LEU A 44 2.809 0.346 9.511 1.00 0.00 C ATOM 0 H LEU A 44 1.555 3.762 8.797 1.00 0.00 H new ATOM 0 HA LEU A 44 2.405 2.675 11.271 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.075 3.461 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.494 2.286 10.092 1.00 0.00 H new ATOM 0 HG LEU A 44 2.096 1.938 8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.511 0.477 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.083 2.162 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.932 0.944 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.377 -0.435 8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.754 -0.004 9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.121 0.584 10.322 1.00 0.00 H new ATOM 628 N ARG A 45 3.711 5.599 10.426 1.00 0.00 N ATOM 629 CA ARG A 45 4.389 6.774 10.959 1.00 0.00 C ATOM 630 C ARG A 45 3.520 7.479 11.997 1.00 0.00 C ATOM 631 O ARG A 45 4.027 8.052 12.961 1.00 0.00 O ATOM 632 CB ARG A 45 4.740 7.743 9.830 1.00 0.00 C ATOM 633 CG ARG A 45 3.570 8.602 9.379 1.00 0.00 C ATOM 634 CD ARG A 45 4.040 9.813 8.589 1.00 0.00 C ATOM 635 NE ARG A 45 2.970 10.384 7.774 1.00 0.00 N ATOM 636 CZ ARG A 45 2.989 11.626 7.301 1.00 0.00 C ATOM 637 NH1 ARG A 45 4.019 12.421 7.560 1.00 0.00 N ATOM 638 NH2 ARG A 45 1.978 12.073 6.568 1.00 0.00 N ATOM 0 H ARG A 45 3.487 5.656 9.433 1.00 0.00 H new ATOM 0 HA ARG A 45 5.308 6.443 11.443 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.551 8.393 10.159 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.113 7.175 8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.895 8.006 8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.003 8.932 10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.416 10.571 9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.872 9.526 7.946 1.00 0.00 H new ATOM 0 HE ARG A 45 2.164 9.797 7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.798 12.079 8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.032 13.374 7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.185 11.464 6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.993 13.026 6.205 1.00 0.00 H new ATOM 652 N ARG A 46 2.207 7.432 11.792 1.00 0.00 N ATOM 653 CA ARG A 46 1.267 8.067 12.708 1.00 0.00 C ATOM 654 C ARG A 46 1.244 7.343 14.051 1.00 0.00 C ATOM 655 O ARG A 46 1.632 7.902 15.076 1.00 0.00 O ATOM 656 CB ARG A 46 -0.137 8.085 12.101 1.00 0.00 C ATOM 657 CG ARG A 46 -1.079 9.069 12.775 1.00 0.00 C ATOM 658 CD ARG A 46 -1.669 8.489 14.051 1.00 0.00 C ATOM 659 NE ARG A 46 -2.586 9.422 14.703 1.00 0.00 N ATOM 660 CZ ARG A 46 -2.976 9.305 15.967 1.00 0.00 C ATOM 661 NH1 ARG A 46 -2.532 8.301 16.712 1.00 0.00 N ATOM 662 NH2 ARG A 46 -3.812 10.193 16.489 1.00 0.00 N ATOM 0 H ARG A 46 1.771 6.961 11.000 1.00 0.00 H new ATOM 0 HA ARG A 46 1.596 9.093 12.874 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.063 8.333 11.042 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.564 7.084 12.165 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.542 9.989 13.006 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.883 9.334 12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.197 7.564 13.819 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.863 8.232 14.739 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.946 10.205 14.158 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.889 7.616 16.314 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.833 8.214 17.683 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.156 10.966 15.919 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.111 10.103 17.460 1.00 0.00 H new ATOM 676 N MET A 47 0.784 6.095 14.036 1.00 0.00 N ATOM 677 CA MET A 47 0.711 5.295 15.253 1.00 0.00 C ATOM 678 C MET A 47 2.070 5.225 15.942 1.00 0.00 C ATOM 679 O MET A 47 2.172 5.411 17.153 1.00 0.00 O ATOM 680 CB MET A 47 0.216 3.882 14.930 1.00 0.00 C ATOM 681 CG MET A 47 -1.288 3.796 14.728 1.00 0.00 C ATOM 682 SD MET A 47 -2.177 3.460 16.262 1.00 0.00 S ATOM 683 CE MET A 47 -2.148 1.669 16.283 1.00 0.00 C ATOM 0 H MET A 47 0.457 5.617 13.196 1.00 0.00 H new ATOM 0 HA MET A 47 0.005 5.775 15.931 1.00 0.00 H new ATOM 0 HB2 MET A 47 0.716 3.528 14.029 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.505 3.211 15.739 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.648 4.733 14.302 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.509 3.011 14.005 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.661 1.307 17.174 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.651 1.287 15.395 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.115 1.322 16.293 1.00 0.00 H new ATOM 693 N GLY A 48 3.111 4.955 15.160 1.00 0.00 N ATOM 694 CA GLY A 48 4.449 4.865 15.713 1.00 0.00 C ATOM 695 C GLY A 48 5.086 3.509 15.476 1.00 0.00 C ATOM 696 O GLY A 48 5.389 2.784 16.423 1.00 0.00 O ATOM 0 H GLY A 48 3.051 4.797 14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.075 5.639 15.269 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.410 5.062 16.784 1.00 0.00 H new ATOM 700 N TYR A 49 5.286 3.166 14.209 1.00 0.00 N ATOM 701 CA TYR A 49 5.886 1.886 13.850 1.00 0.00 C ATOM 702 C TYR A 49 7.233 2.090 13.163 1.00 0.00 C ATOM 703 O TYR A 49 8.268 1.644 13.659 1.00 0.00 O ATOM 704 CB TYR A 49 4.948 1.099 12.935 1.00 0.00 C ATOM 705 CG TYR A 49 3.876 0.334 13.678 1.00 0.00 C ATOM 706 CD1 TYR A 49 4.210 -0.677 14.571 1.00 0.00 C ATOM 707 CD2 TYR A 49 2.530 0.623 13.489 1.00 0.00 C ATOM 708 CE1 TYR A 49 3.234 -1.379 15.252 1.00 0.00 C ATOM 709 CE2 TYR A 49 1.548 -0.072 14.168 1.00 0.00 C ATOM 710 CZ TYR A 49 1.905 -1.072 15.047 1.00 0.00 C ATOM 711 OH TYR A 49 0.930 -1.768 15.724 1.00 0.00 O ATOM 0 H TYR A 49 5.042 3.756 13.413 1.00 0.00 H new ATOM 0 HA TYR A 49 6.048 1.319 14.767 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.473 1.788 12.237 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.536 0.399 12.341 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.250 -0.918 14.735 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.247 1.404 12.799 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.510 -2.164 15.941 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.506 0.167 14.011 1.00 0.00 H new ATOM 0 HH TYR A 49 0.047 -1.428 15.467 1.00 0.00 H new ATOM 721 N ILE A 50 7.210 2.767 12.019 1.00 0.00 N ATOM 722 CA ILE A 50 8.429 3.030 11.264 1.00 0.00 C ATOM 723 C ILE A 50 9.012 4.394 11.622 1.00 0.00 C ATOM 724 O ILE A 50 10.192 4.654 11.389 1.00 0.00 O ATOM 725 CB ILE A 50 8.173 2.977 9.746 1.00 0.00 C ATOM 726 CG1 ILE A 50 6.969 3.846 9.379 1.00 0.00 C ATOM 727 CG2 ILE A 50 7.952 1.541 9.296 1.00 0.00 C ATOM 728 CD1 ILE A 50 7.091 4.504 8.022 1.00 0.00 C ATOM 0 H ILE A 50 6.362 3.143 11.595 1.00 0.00 H new ATOM 0 HA ILE A 50 9.142 2.250 11.532 1.00 0.00 H new ATOM 0 HB ILE A 50 9.050 3.368 9.231 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.069 3.232 9.397 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.843 4.618 10.138 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.772 1.520 8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.836 0.947 9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.089 1.125 9.816 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.202 5.104 7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.973 5.145 8.006 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.186 3.737 7.253 1.00 0.00 H new ATOM 740 N GLN A 51 8.178 5.258 12.191 1.00 0.00 N ATOM 741 CA GLN A 51 8.612 6.594 12.583 1.00 0.00 C ATOM 742 C GLN A 51 8.452 6.799 14.086 1.00 0.00 C ATOM 743 O GLN A 51 7.387 6.544 14.648 1.00 0.00 O ATOM 744 CB GLN A 51 7.815 7.655 11.823 1.00 0.00 C ATOM 745 CG GLN A 51 8.560 8.969 11.653 1.00 0.00 C ATOM 746 CD GLN A 51 8.285 9.946 12.778 1.00 0.00 C ATOM 747 OE1 GLN A 51 8.974 9.945 13.800 1.00 0.00 O ATOM 748 NE2 GLN A 51 7.274 10.788 12.598 1.00 0.00 N ATOM 0 H GLN A 51 7.198 5.057 12.391 1.00 0.00 H new ATOM 0 HA GLN A 51 9.668 6.694 12.332 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.553 7.265 10.839 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.880 7.843 12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.631 8.771 11.603 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.275 9.424 10.704 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.730 10.754 11.736 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.042 11.468 13.322 1.00 0.00 H new ATOM 757 N GLY A 52 9.518 7.261 14.733 1.00 0.00 N ATOM 758 CA GLY A 52 9.475 7.493 16.164 1.00 0.00 C ATOM 759 C GLY A 52 10.136 8.798 16.560 1.00 0.00 C ATOM 760 O GLY A 52 9.598 9.875 16.309 1.00 0.00 O ATOM 0 H GLY A 52 10.411 7.479 14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.437 7.499 16.497 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.969 6.668 16.678 1.00 0.00 H new ATOM 764 N ASP A 53 11.306 8.701 17.184 1.00 0.00 N ATOM 765 CA ASP A 53 12.041 9.884 17.616 1.00 0.00 C ATOM 766 C ASP A 53 12.909 10.427 16.486 1.00 0.00 C ATOM 767 O ASP A 53 14.073 10.771 16.695 1.00 0.00 O ATOM 768 CB ASP A 53 12.911 9.553 18.830 1.00 0.00 C ATOM 769 CG ASP A 53 13.676 8.256 18.659 1.00 0.00 C ATOM 770 OD1 ASP A 53 14.195 8.014 17.549 1.00 0.00 O ATOM 771 OD2 ASP A 53 13.756 7.481 19.635 1.00 0.00 O ATOM 0 H ASP A 53 11.765 7.816 17.401 1.00 0.00 H new ATOM 0 HA ASP A 53 11.318 10.650 17.894 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.616 10.367 19.001 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.281 9.485 19.717 1.00 0.00 H new ATOM 776 N SER A 54 12.336 10.503 15.289 1.00 0.00 N ATOM 777 CA SER A 54 13.059 11.000 14.124 1.00 0.00 C ATOM 778 C SER A 54 12.130 11.126 12.921 1.00 0.00 C ATOM 779 O SER A 54 11.322 10.237 12.652 1.00 0.00 O ATOM 780 CB SER A 54 14.226 10.070 13.788 1.00 0.00 C ATOM 781 OG SER A 54 15.289 10.785 13.180 1.00 0.00 O ATOM 0 H SER A 54 11.372 10.227 15.100 1.00 0.00 H new ATOM 0 HA SER A 54 13.449 11.989 14.363 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.582 9.585 14.697 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.885 9.280 13.119 1.00 0.00 H new ATOM 0 HG SER A 54 16.023 10.169 12.976 1.00 0.00 H new ATOM 787 N ALA A 55 12.251 12.236 12.202 1.00 0.00 N ATOM 788 CA ALA A 55 11.425 12.479 11.026 1.00 0.00 C ATOM 789 C ALA A 55 12.017 13.583 10.157 1.00 0.00 C ATOM 790 O ALA A 55 12.998 14.223 10.533 1.00 0.00 O ATOM 791 CB ALA A 55 10.006 12.835 11.443 1.00 0.00 C ATOM 0 H ALA A 55 12.914 12.982 12.413 1.00 0.00 H new ATOM 0 HA ALA A 55 11.399 11.564 10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.400 13.014 10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.578 12.012 12.015 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.022 13.735 12.058 1.00 0.00 H new ATOM 797 N ALA A 56 11.414 13.801 8.992 1.00 0.00 N ATOM 798 CA ALA A 56 11.881 14.828 8.070 1.00 0.00 C ATOM 799 C ALA A 56 10.871 15.063 6.952 1.00 0.00 C ATOM 800 O ALA A 56 10.056 14.192 6.648 1.00 0.00 O ATOM 801 CB ALA A 56 13.234 14.442 7.491 1.00 0.00 C ATOM 0 H ALA A 56 10.601 13.279 8.665 1.00 0.00 H new ATOM 0 HA ALA A 56 11.989 15.759 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.571 15.218 6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.958 14.333 8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.144 13.497 6.955 1.00 0.00 H new ATOM 807 N GLU A 57 10.933 16.243 6.344 1.00 0.00 N ATOM 808 CA GLU A 57 10.021 16.591 5.260 1.00 0.00 C ATOM 809 C GLU A 57 10.524 16.040 3.929 1.00 0.00 C ATOM 810 O GLU A 57 11.235 16.723 3.190 1.00 0.00 O ATOM 811 CB GLU A 57 9.860 18.110 5.168 1.00 0.00 C ATOM 812 CG GLU A 57 8.899 18.684 6.195 1.00 0.00 C ATOM 813 CD GLU A 57 8.296 20.005 5.758 1.00 0.00 C ATOM 814 OE1 GLU A 57 9.058 20.986 5.617 1.00 0.00 O ATOM 815 OE2 GLU A 57 7.066 20.059 5.555 1.00 0.00 O ATOM 0 H GLU A 57 11.604 16.973 6.583 1.00 0.00 H new ATOM 0 HA GLU A 57 9.051 16.143 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.836 18.579 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.509 18.370 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.099 17.967 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.424 18.824 7.140 1.00 0.00 H new ATOM 822 N VAL A 58 10.149 14.801 3.629 1.00 0.00 N ATOM 823 CA VAL A 58 10.560 14.157 2.387 1.00 0.00 C ATOM 824 C VAL A 58 9.367 13.545 1.664 1.00 0.00 C ATOM 825 O VAL A 58 8.469 12.979 2.290 1.00 0.00 O ATOM 826 CB VAL A 58 11.609 13.059 2.646 1.00 0.00 C ATOM 827 CG1 VAL A 58 12.884 13.661 3.216 1.00 0.00 C ATOM 828 CG2 VAL A 58 11.048 11.996 3.578 1.00 0.00 C ATOM 0 H VAL A 58 9.561 14.223 4.229 1.00 0.00 H new ATOM 0 HA VAL A 58 11.002 14.931 1.760 1.00 0.00 H new ATOM 0 HB VAL A 58 11.854 12.584 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.613 12.870 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.294 14.381 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 58 12.660 14.164 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.802 11.228 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 58 10.773 12.454 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.166 11.543 3.125 1.00 0.00 H new ATOM 838 N THR A 59 9.360 13.659 0.339 1.00 0.00 N ATOM 839 CA THR A 59 8.277 13.118 -0.471 1.00 0.00 C ATOM 840 C THR A 59 8.382 11.602 -0.587 1.00 0.00 C ATOM 841 O THR A 59 9.313 11.082 -1.199 1.00 0.00 O ATOM 842 CB THR A 59 8.271 13.731 -1.883 1.00 0.00 C ATOM 843 OG1 THR A 59 7.182 13.197 -2.645 1.00 0.00 O ATOM 844 CG2 THR A 59 9.583 13.451 -2.600 1.00 0.00 C ATOM 0 H THR A 59 10.094 14.122 -0.196 1.00 0.00 H new ATOM 0 HA THR A 59 7.346 13.377 0.033 1.00 0.00 H new ATOM 0 HB THR A 59 8.151 14.810 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.185 13.593 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.555 13.894 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.407 13.884 -2.033 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.728 12.374 -2.686 1.00 0.00 H new ATOM 852 N GLU A 60 7.421 10.899 0.004 1.00 0.00 N ATOM 853 CA GLU A 60 7.407 9.442 -0.034 1.00 0.00 C ATOM 854 C GLU A 60 6.336 8.933 -0.995 1.00 0.00 C ATOM 855 O GLU A 60 5.239 8.562 -0.578 1.00 0.00 O ATOM 856 CB GLU A 60 7.162 8.875 1.366 1.00 0.00 C ATOM 857 CG GLU A 60 7.814 7.522 1.598 1.00 0.00 C ATOM 858 CD GLU A 60 8.183 7.293 3.050 1.00 0.00 C ATOM 859 OE1 GLU A 60 7.325 7.537 3.925 1.00 0.00 O ATOM 860 OE2 GLU A 60 9.328 6.870 3.313 1.00 0.00 O ATOM 0 H GLU A 60 6.642 11.315 0.515 1.00 0.00 H new ATOM 0 HA GLU A 60 8.380 9.104 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.538 9.582 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.088 8.784 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.134 6.735 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.710 7.445 0.983 1.00 0.00 H new ATOM 867 N MET A 61 6.663 8.919 -2.283 1.00 0.00 N ATOM 868 CA MET A 61 5.730 8.455 -3.303 1.00 0.00 C ATOM 869 C MET A 61 6.101 7.055 -3.783 1.00 0.00 C ATOM 870 O MET A 61 7.184 6.842 -4.327 1.00 0.00 O ATOM 871 CB MET A 61 5.712 9.425 -4.487 1.00 0.00 C ATOM 872 CG MET A 61 5.422 8.753 -5.819 1.00 0.00 C ATOM 873 SD MET A 61 4.544 9.833 -6.965 1.00 0.00 S ATOM 874 CE MET A 61 2.946 9.947 -6.167 1.00 0.00 C ATOM 0 H MET A 61 7.567 9.224 -2.645 1.00 0.00 H new ATOM 0 HA MET A 61 4.735 8.416 -2.859 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.960 10.193 -4.306 1.00 0.00 H new ATOM 0 HB3 MET A 61 6.676 9.930 -4.547 1.00 0.00 H new ATOM 0 HG2 MET A 61 6.360 8.434 -6.273 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.830 7.854 -5.647 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.184 10.180 -6.911 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.709 8.996 -5.690 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.971 10.735 -5.414 1.00 0.00 H new ATOM 884 N ALA A 62 5.195 6.105 -3.577 1.00 0.00 N ATOM 885 CA ALA A 62 5.427 4.727 -3.991 1.00 0.00 C ATOM 886 C ALA A 62 4.928 4.489 -5.412 1.00 0.00 C ATOM 887 O ALA A 62 4.268 3.487 -5.689 1.00 0.00 O ATOM 888 CB ALA A 62 4.752 3.765 -3.023 1.00 0.00 C ATOM 0 H ALA A 62 4.294 6.264 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 62 6.502 4.545 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.933 2.739 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.160 3.910 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.679 3.957 -3.009 1.00 0.00 H new ATOM 894 N HIS A 63 5.248 5.416 -6.310 1.00 0.00 N ATOM 895 CA HIS A 63 4.831 5.306 -7.703 1.00 0.00 C ATOM 896 C HIS A 63 6.015 5.514 -8.642 1.00 0.00 C ATOM 897 O HIS A 63 6.243 4.722 -9.557 1.00 0.00 O ATOM 898 CB HIS A 63 3.734 6.325 -8.012 1.00 0.00 C ATOM 899 CG HIS A 63 3.367 6.389 -9.462 1.00 0.00 C ATOM 900 ND1 HIS A 63 3.163 7.575 -10.136 1.00 0.00 N ATOM 901 CD2 HIS A 63 3.167 5.403 -10.369 1.00 0.00 C ATOM 902 CE1 HIS A 63 2.852 7.316 -11.394 1.00 0.00 C ATOM 903 NE2 HIS A 63 2.849 6.007 -11.561 1.00 0.00 N ATOM 0 H HIS A 63 5.794 6.251 -6.098 1.00 0.00 H new ATOM 0 HA HIS A 63 4.437 4.302 -7.860 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.845 6.077 -7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.063 7.311 -7.685 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.243 4.341 -10.189 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.637 8.051 -12.156 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.644 5.522 -12.434 1.00 0.00 H new ATOM 911 N THR A 64 6.767 6.585 -8.409 1.00 0.00 N ATOM 912 CA THR A 64 7.927 6.899 -9.234 1.00 0.00 C ATOM 913 C THR A 64 8.833 5.683 -9.394 1.00 0.00 C ATOM 914 O THR A 64 8.625 4.654 -8.753 1.00 0.00 O ATOM 915 CB THR A 64 8.745 8.059 -8.637 1.00 0.00 C ATOM 916 OG1 THR A 64 9.110 7.757 -7.286 1.00 0.00 O ATOM 917 CG2 THR A 64 7.950 9.357 -8.675 1.00 0.00 C ATOM 0 H THR A 64 6.593 7.250 -7.655 1.00 0.00 H new ATOM 0 HA THR A 64 7.548 7.198 -10.211 1.00 0.00 H new ATOM 0 HB THR A 64 9.646 8.185 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.631 8.499 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.548 10.162 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.699 9.600 -9.707 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.034 9.239 -8.097 1.00 0.00 H new ATOM 925 N GLU A 65 9.840 5.811 -10.253 1.00 0.00 N ATOM 926 CA GLU A 65 10.778 4.721 -10.497 1.00 0.00 C ATOM 927 C GLU A 65 11.339 4.183 -9.184 1.00 0.00 C ATOM 928 O GLU A 65 11.405 2.971 -8.973 1.00 0.00 O ATOM 929 CB GLU A 65 11.922 5.194 -11.397 1.00 0.00 C ATOM 930 CG GLU A 65 13.057 4.190 -11.518 1.00 0.00 C ATOM 931 CD GLU A 65 14.375 4.843 -11.882 1.00 0.00 C ATOM 932 OE1 GLU A 65 14.477 5.390 -13.000 1.00 0.00 O ATOM 933 OE2 GLU A 65 15.306 4.806 -11.050 1.00 0.00 O ATOM 0 H GLU A 65 10.027 6.657 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 65 10.239 3.918 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.528 5.405 -12.391 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.317 6.131 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.168 3.657 -10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.802 3.448 -12.275 1.00 0.00 H new ATOM 940 N THR A 66 11.743 5.093 -8.303 1.00 0.00 N ATOM 941 CA THR A 66 12.300 4.711 -7.010 1.00 0.00 C ATOM 942 C THR A 66 11.196 4.413 -6.003 1.00 0.00 C ATOM 943 O THR A 66 11.257 4.848 -4.854 1.00 0.00 O ATOM 944 CB THR A 66 13.212 5.815 -6.444 1.00 0.00 C ATOM 945 OG1 THR A 66 13.952 5.314 -5.325 1.00 0.00 O ATOM 946 CG2 THR A 66 12.396 7.025 -6.016 1.00 0.00 C ATOM 0 H THR A 66 11.695 6.100 -8.461 1.00 0.00 H new ATOM 0 HA THR A 66 12.891 3.810 -7.173 1.00 0.00 H new ATOM 0 HB THR A 66 13.903 6.121 -7.229 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.331 5.049 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.062 7.791 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.856 7.423 -6.876 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.684 6.730 -5.246 1.00 0.00 H new ATOM 954 N GLY A 67 10.188 3.665 -6.441 1.00 0.00 N ATOM 955 CA GLY A 67 9.084 3.320 -5.563 1.00 0.00 C ATOM 956 C GLY A 67 9.551 2.703 -4.259 1.00 0.00 C ATOM 957 O GLY A 67 10.702 2.282 -4.142 1.00 0.00 O ATOM 0 H GLY A 67 10.116 3.292 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.500 4.215 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.421 2.622 -6.075 1.00 0.00 H new ATOM 961 N TRP A 68 8.658 2.654 -3.278 1.00 0.00 N ATOM 962 CA TRP A 68 8.986 2.086 -1.975 1.00 0.00 C ATOM 963 C TRP A 68 8.684 0.591 -1.940 1.00 0.00 C ATOM 964 O TRP A 68 7.530 0.180 -2.068 1.00 0.00 O ATOM 965 CB TRP A 68 8.206 2.802 -0.872 1.00 0.00 C ATOM 966 CG TRP A 68 8.172 2.045 0.421 1.00 0.00 C ATOM 967 CD1 TRP A 68 7.108 1.374 0.951 1.00 0.00 C ATOM 968 CD2 TRP A 68 9.253 1.882 1.346 1.00 0.00 C ATOM 969 NE1 TRP A 68 7.460 0.805 2.151 1.00 0.00 N ATOM 970 CE2 TRP A 68 8.771 1.101 2.415 1.00 0.00 C ATOM 971 CE3 TRP A 68 10.580 2.319 1.376 1.00 0.00 C ATOM 972 CZ2 TRP A 68 9.571 0.750 3.500 1.00 0.00 C ATOM 973 CZ3 TRP A 68 11.372 1.969 2.453 1.00 0.00 C ATOM 974 CH2 TRP A 68 10.866 1.191 3.502 1.00 0.00 C ATOM 0 H TRP A 68 7.702 3.000 -3.359 1.00 0.00 H new ATOM 0 HA TRP A 68 10.053 2.226 -1.805 1.00 0.00 H new ATOM 0 HB2 TRP A 68 8.652 3.782 -0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.184 2.972 -1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 68 6.132 1.301 0.494 1.00 0.00 H new ATOM 0 HE1 TRP A 68 6.845 0.252 2.748 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.979 2.919 0.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 9.183 0.151 4.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.399 2.301 2.486 1.00 0.00 H new ATOM 0 HH2 TRP A 68 11.511 0.934 4.329 1.00 0.00 H new ATOM 985 N SER A 69 9.726 -0.215 -1.768 1.00 0.00 N ATOM 986 CA SER A 69 9.571 -1.664 -1.720 1.00 0.00 C ATOM 987 C SER A 69 9.531 -2.160 -0.278 1.00 0.00 C ATOM 988 O SER A 69 10.542 -2.140 0.425 1.00 0.00 O ATOM 989 CB SER A 69 10.715 -2.345 -2.474 1.00 0.00 C ATOM 990 OG SER A 69 11.973 -1.875 -2.025 1.00 0.00 O ATOM 0 H SER A 69 10.687 0.110 -1.660 1.00 0.00 H new ATOM 0 HA SER A 69 8.626 -1.919 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.655 -3.424 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.613 -2.156 -3.543 1.00 0.00 H new ATOM 0 HG SER A 69 11.922 -1.667 -1.069 1.00 0.00 H new ATOM 996 N CYS A 70 8.356 -2.603 0.157 1.00 0.00 N ATOM 997 CA CYS A 70 8.183 -3.103 1.516 1.00 0.00 C ATOM 998 C CYS A 70 9.187 -4.211 1.820 1.00 0.00 C ATOM 999 O CYS A 70 9.816 -4.760 0.914 1.00 0.00 O ATOM 1000 CB CYS A 70 6.757 -3.624 1.711 1.00 0.00 C ATOM 1001 SG CYS A 70 6.576 -5.415 1.429 1.00 0.00 S ATOM 0 H CYS A 70 7.510 -2.626 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 70 8.360 -2.278 2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.432 -3.392 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.091 -3.091 1.033 1.00 0.00 H new ATOM 1006 N HIS A 71 9.333 -4.533 3.101 1.00 0.00 N ATOM 1007 CA HIS A 71 10.260 -5.576 3.526 1.00 0.00 C ATOM 1008 C HIS A 71 10.341 -6.688 2.485 1.00 0.00 C ATOM 1009 O HIS A 71 11.383 -6.894 1.862 1.00 0.00 O ATOM 1010 CB HIS A 71 9.828 -6.154 4.874 1.00 0.00 C ATOM 1011 CG HIS A 71 10.152 -5.268 6.037 1.00 0.00 C ATOM 1012 ND1 HIS A 71 11.442 -4.957 6.410 1.00 0.00 N ATOM 1013 CD2 HIS A 71 9.344 -4.624 6.911 1.00 0.00 C ATOM 1014 CE1 HIS A 71 11.414 -4.159 7.463 1.00 0.00 C ATOM 1015 NE2 HIS A 71 10.152 -3.943 7.788 1.00 0.00 N ATOM 0 H HIS A 71 8.822 -4.087 3.863 1.00 0.00 H new ATOM 0 HA HIS A 71 11.248 -5.128 3.631 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.753 -6.336 4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.312 -7.120 5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.264 -4.642 6.918 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.276 -3.753 7.971 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.830 -3.365 8.564 1.00 0.00 H new ATOM 1023 N TYR A 72 9.236 -7.402 2.302 1.00 0.00 N ATOM 1024 CA TYR A 72 9.183 -8.495 1.339 1.00 0.00 C ATOM 1025 C TYR A 72 9.586 -8.016 -0.052 1.00 0.00 C ATOM 1026 O TYR A 72 10.543 -8.520 -0.643 1.00 0.00 O ATOM 1027 CB TYR A 72 7.777 -9.097 1.295 1.00 0.00 C ATOM 1028 CG TYR A 72 7.217 -9.426 2.660 1.00 0.00 C ATOM 1029 CD1 TYR A 72 7.447 -10.663 3.248 1.00 0.00 C ATOM 1030 CD2 TYR A 72 6.457 -8.498 3.363 1.00 0.00 C ATOM 1031 CE1 TYR A 72 6.936 -10.969 4.495 1.00 0.00 C ATOM 1032 CE2 TYR A 72 5.944 -8.793 4.610 1.00 0.00 C ATOM 1033 CZ TYR A 72 6.185 -10.030 5.172 1.00 0.00 C ATOM 1034 OH TYR A 72 5.676 -10.329 6.415 1.00 0.00 O ATOM 0 H TYR A 72 8.365 -7.243 2.808 1.00 0.00 H new ATOM 0 HA TYR A 72 9.889 -9.261 1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.107 -8.398 0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.798 -10.005 0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.036 -11.399 2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.265 -7.529 2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.123 -11.937 4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.357 -8.060 5.143 1.00 0.00 H new ATOM 0 HH TYR A 72 5.172 -9.561 6.756 1.00 0.00 H new ATOM 1044 N CYS A 73 8.851 -7.038 -0.571 1.00 0.00 N ATOM 1045 CA CYS A 73 9.129 -6.488 -1.892 1.00 0.00 C ATOM 1046 C CYS A 73 10.619 -6.571 -2.212 1.00 0.00 C ATOM 1047 O CYS A 73 11.464 -6.340 -1.346 1.00 0.00 O ATOM 1048 CB CYS A 73 8.660 -5.035 -1.972 1.00 0.00 C ATOM 1049 SG CYS A 73 6.853 -4.845 -2.109 1.00 0.00 S ATOM 0 H CYS A 73 8.057 -6.610 -0.095 1.00 0.00 H new ATOM 0 HA CYS A 73 8.583 -7.080 -2.627 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.005 -4.504 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.131 -4.559 -2.832 1.00 0.00 H new ATOM 1054 N ASP A 74 10.933 -6.900 -3.460 1.00 0.00 N ATOM 1055 CA ASP A 74 12.321 -7.012 -3.896 1.00 0.00 C ATOM 1056 C ASP A 74 13.168 -5.889 -3.306 1.00 0.00 C ATOM 1057 O ASP A 74 12.648 -4.839 -2.930 1.00 0.00 O ATOM 1058 CB ASP A 74 12.402 -6.981 -5.422 1.00 0.00 C ATOM 1059 CG ASP A 74 11.660 -8.136 -6.065 1.00 0.00 C ATOM 1060 OD1 ASP A 74 12.072 -9.296 -5.857 1.00 0.00 O ATOM 1061 OD2 ASP A 74 10.666 -7.879 -6.776 1.00 0.00 O ATOM 0 H ASP A 74 10.245 -7.094 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 74 12.713 -7.964 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.989 -6.040 -5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.448 -7.009 -5.728 1.00 0.00 H new ATOM 1066 N ASN A 75 14.474 -6.118 -3.227 1.00 0.00 N ATOM 1067 CA ASN A 75 15.393 -5.126 -2.681 1.00 0.00 C ATOM 1068 C ASN A 75 15.959 -4.241 -3.788 1.00 0.00 C ATOM 1069 O ASN A 75 16.308 -4.725 -4.865 1.00 0.00 O ATOM 1070 CB ASN A 75 16.534 -5.816 -1.932 1.00 0.00 C ATOM 1071 CG ASN A 75 17.672 -4.865 -1.609 1.00 0.00 C ATOM 1072 OD1 ASN A 75 17.472 -3.838 -0.962 1.00 0.00 O ATOM 1073 ND2 ASN A 75 18.873 -5.206 -2.060 1.00 0.00 N ATOM 0 H ASN A 75 14.920 -6.982 -3.534 1.00 0.00 H new ATOM 0 HA ASN A 75 14.838 -4.497 -1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 75 16.150 -6.246 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.914 -6.641 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 75 19.677 -4.606 -1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 75 18.992 -6.068 -2.593 1.00 0.00 H new ATOM 1080 N ILE A 76 16.044 -2.944 -3.514 1.00 0.00 N ATOM 1081 CA ILE A 76 16.568 -1.992 -4.486 1.00 0.00 C ATOM 1082 C ILE A 76 17.991 -1.572 -4.131 1.00 0.00 C ATOM 1083 O ILE A 76 18.462 -1.813 -3.021 1.00 0.00 O ATOM 1084 CB ILE A 76 15.683 -0.735 -4.577 1.00 0.00 C ATOM 1085 CG1 ILE A 76 15.607 -0.038 -3.217 1.00 0.00 C ATOM 1086 CG2 ILE A 76 14.291 -1.103 -5.067 1.00 0.00 C ATOM 1087 CD1 ILE A 76 15.146 1.400 -3.300 1.00 0.00 C ATOM 0 H ILE A 76 15.757 -2.528 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 76 16.570 -2.496 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 76 16.130 -0.045 -5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.926 -0.593 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 76 16.590 -0.069 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.677 -0.204 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.362 -1.560 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.835 -1.809 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.116 1.831 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 76 15.839 1.969 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.150 1.438 -3.741 1.00 0.00 H new ATOM 1099 N ASN A 77 18.671 -0.943 -5.084 1.00 0.00 N ATOM 1100 CA ASN A 77 20.041 -0.488 -4.873 1.00 0.00 C ATOM 1101 C ASN A 77 20.070 0.982 -4.470 1.00 0.00 C ATOM 1102 O ASN A 77 19.668 1.857 -5.240 1.00 0.00 O ATOM 1103 CB ASN A 77 20.871 -0.697 -6.141 1.00 0.00 C ATOM 1104 CG ASN A 77 22.357 -0.780 -5.852 1.00 0.00 C ATOM 1105 OD1 ASN A 77 22.863 -1.821 -5.434 1.00 0.00 O ATOM 1106 ND2 ASN A 77 23.065 0.322 -6.074 1.00 0.00 N ATOM 0 H ASN A 77 18.296 -0.737 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 77 20.472 -1.077 -4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 77 20.548 -1.613 -6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.684 0.123 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 77 24.070 0.327 -5.897 1.00 0.00 H new ATOM 0 HD22 ASN A 77 22.604 1.163 -6.421 1.00 0.00 H new ATOM 1113 N LEU A 78 20.547 1.250 -3.260 1.00 0.00 N ATOM 1114 CA LEU A 78 20.629 2.616 -2.753 1.00 0.00 C ATOM 1115 C LEU A 78 21.768 3.377 -3.423 1.00 0.00 C ATOM 1116 O LEU A 78 22.936 3.205 -3.070 1.00 0.00 O ATOM 1117 CB LEU A 78 20.829 2.607 -1.237 1.00 0.00 C ATOM 1118 CG LEU A 78 20.231 3.790 -0.474 1.00 0.00 C ATOM 1119 CD1 LEU A 78 19.838 3.374 0.935 1.00 0.00 C ATOM 1120 CD2 LEU A 78 21.215 4.951 -0.435 1.00 0.00 C ATOM 0 H LEU A 78 20.883 0.539 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 78 19.692 3.121 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.398 1.688 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 78 21.899 2.572 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 78 19.333 4.118 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.415 4.229 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.098 2.575 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.720 3.019 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 78 20.773 5.784 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 78 22.131 4.635 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 78 21.446 5.266 -1.452 1.00 0.00 H new ATOM 1132 N LEU A 79 21.422 4.219 -4.390 1.00 0.00 N ATOM 1133 CA LEU A 79 22.415 5.009 -5.109 1.00 0.00 C ATOM 1134 C LEU A 79 22.287 6.489 -4.764 1.00 0.00 C ATOM 1135 O LEU A 79 21.350 7.160 -5.199 1.00 0.00 O ATOM 1136 CB LEU A 79 22.261 4.810 -6.618 1.00 0.00 C ATOM 1137 CG LEU A 79 23.420 5.306 -7.483 1.00 0.00 C ATOM 1138 CD1 LEU A 79 24.447 4.201 -7.683 1.00 0.00 C ATOM 1139 CD2 LEU A 79 22.908 5.809 -8.824 1.00 0.00 C ATOM 0 H LEU A 79 20.461 4.372 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 79 23.404 4.668 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.119 3.747 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 79 21.351 5.317 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 79 23.904 6.136 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 79 25.265 4.572 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 79 24.837 3.887 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 79 23.976 3.351 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 79 23.747 6.158 -9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.399 4.999 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 79 22.211 6.631 -8.662 1.00 0.00 H new ATOM 1151 N LEU A 80 23.236 6.994 -3.982 1.00 0.00 N ATOM 1152 CA LEU A 80 23.230 8.396 -3.581 1.00 0.00 C ATOM 1153 C LEU A 80 24.086 9.236 -4.524 1.00 0.00 C ATOM 1154 O LEU A 80 25.152 8.805 -4.964 1.00 0.00 O ATOM 1155 CB LEU A 80 23.742 8.539 -2.146 1.00 0.00 C ATOM 1156 CG LEU A 80 25.254 8.409 -1.958 1.00 0.00 C ATOM 1157 CD1 LEU A 80 25.702 9.157 -0.711 1.00 0.00 C ATOM 1158 CD2 LEU A 80 25.659 6.944 -1.879 1.00 0.00 C ATOM 0 H LEU A 80 24.019 6.453 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 80 22.203 8.758 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.431 9.512 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 80 23.253 7.784 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 80 25.748 8.854 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.781 9.054 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.447 10.212 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.200 8.741 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 80 26.738 6.872 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 80 25.156 6.473 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 80 25.373 6.437 -2.801 1.00 0.00 H new ATOM 1170 N THR A 81 23.612 10.440 -4.829 1.00 0.00 N ATOM 1171 CA THR A 81 24.333 11.342 -5.720 1.00 0.00 C ATOM 1172 C THR A 81 23.754 12.751 -5.662 1.00 0.00 C ATOM 1173 O THR A 81 22.646 12.996 -6.136 1.00 0.00 O ATOM 1174 CB THR A 81 24.295 10.843 -7.176 1.00 0.00 C ATOM 1175 OG1 THR A 81 24.950 9.573 -7.277 1.00 0.00 O ATOM 1176 CG2 THR A 81 24.966 11.840 -8.108 1.00 0.00 C ATOM 0 H THR A 81 22.732 10.813 -4.472 1.00 0.00 H new ATOM 0 HA THR A 81 25.368 11.363 -5.378 1.00 0.00 H new ATOM 0 HB THR A 81 23.251 10.738 -7.473 1.00 0.00 H new ATOM 0 HG1 THR A 81 25.498 9.423 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 81 24.927 11.465 -9.131 1.00 0.00 H new ATOM 0 HG22 THR A 81 24.447 12.797 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 81 26.006 11.973 -7.810 1.00 0.00 H new ATOM 1184 N GLU A 82 24.513 13.674 -5.079 1.00 0.00 N ATOM 1185 CA GLU A 82 24.073 15.059 -4.960 1.00 0.00 C ATOM 1186 C GLU A 82 22.856 15.167 -4.046 1.00 0.00 C ATOM 1187 O GLU A 82 21.947 15.958 -4.297 1.00 0.00 O ATOM 1188 CB GLU A 82 23.742 15.633 -6.339 1.00 0.00 C ATOM 1189 CG GLU A 82 23.885 17.143 -6.421 1.00 0.00 C ATOM 1190 CD GLU A 82 23.089 17.743 -7.563 1.00 0.00 C ATOM 1191 OE1 GLU A 82 23.549 17.651 -8.720 1.00 0.00 O ATOM 1192 OE2 GLU A 82 22.007 18.307 -7.298 1.00 0.00 O ATOM 0 H GLU A 82 25.434 13.488 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 82 24.887 15.635 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 82 24.396 15.174 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 82 22.720 15.359 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 82 23.556 17.587 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 82 24.938 17.398 -6.543 1.00 0.00 H new ATOM 1199 N GLU A 83 22.846 14.366 -2.985 1.00 0.00 N ATOM 1200 CA GLU A 83 21.739 14.370 -2.035 1.00 0.00 C ATOM 1201 C GLU A 83 21.192 15.782 -1.845 1.00 0.00 C ATOM 1202 O GLU A 83 21.896 16.675 -1.376 1.00 0.00 O ATOM 1203 CB GLU A 83 22.192 13.801 -0.689 1.00 0.00 C ATOM 1204 CG GLU A 83 21.099 13.794 0.366 1.00 0.00 C ATOM 1205 CD GLU A 83 21.590 13.294 1.712 1.00 0.00 C ATOM 1206 OE1 GLU A 83 22.490 13.938 2.291 1.00 0.00 O ATOM 1207 OE2 GLU A 83 21.076 12.259 2.185 1.00 0.00 O ATOM 0 H GLU A 83 23.591 13.706 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 83 20.944 13.742 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 83 22.550 12.782 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.036 14.385 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.703 14.803 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.276 13.165 0.027 1.00 0.00 H new ATOM 1214 N SER A 84 19.929 15.974 -2.216 1.00 0.00 N ATOM 1215 CA SER A 84 19.286 17.277 -2.090 1.00 0.00 C ATOM 1216 C SER A 84 17.806 17.123 -1.756 1.00 0.00 C ATOM 1217 O SER A 84 17.232 16.045 -1.909 1.00 0.00 O ATOM 1218 CB SER A 84 19.447 18.074 -3.386 1.00 0.00 C ATOM 1219 OG SER A 84 18.909 17.368 -4.491 1.00 0.00 O ATOM 0 H SER A 84 19.332 15.245 -2.606 1.00 0.00 H new ATOM 0 HA SER A 84 19.770 17.817 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.947 19.038 -3.288 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.503 18.279 -3.561 1.00 0.00 H new ATOM 0 HG SER A 84 19.023 17.900 -5.306 1.00 0.00 H new ATOM 1225 N GLY A 85 17.193 18.210 -1.295 1.00 0.00 N ATOM 1226 CA GLY A 85 15.785 18.175 -0.945 1.00 0.00 C ATOM 1227 C GLY A 85 15.220 19.556 -0.677 1.00 0.00 C ATOM 1228 O GLY A 85 15.291 20.073 0.438 1.00 0.00 O ATOM 0 H GLY A 85 17.646 19.113 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.224 17.707 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.649 17.552 -0.061 1.00 0.00 H new ATOM 1232 N PRO A 86 14.646 20.177 -1.719 1.00 0.00 N ATOM 1233 CA PRO A 86 14.056 21.515 -1.615 1.00 0.00 C ATOM 1234 C PRO A 86 12.781 21.524 -0.780 1.00 0.00 C ATOM 1235 O PRO A 86 12.314 20.477 -0.331 1.00 0.00 O ATOM 1236 CB PRO A 86 13.746 21.879 -3.069 1.00 0.00 C ATOM 1237 CG PRO A 86 13.582 20.569 -3.761 1.00 0.00 C ATOM 1238 CD PRO A 86 14.526 19.619 -3.076 1.00 0.00 C ATOM 0 HA PRO A 86 14.725 22.218 -1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.840 22.481 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.553 22.462 -3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.553 20.216 -3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.817 20.656 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.132 18.603 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.491 19.578 -3.581 1.00 0.00 H new ATOM 1246 N SER A 87 12.221 22.712 -0.574 1.00 0.00 N ATOM 1247 CA SER A 87 11.001 22.857 0.211 1.00 0.00 C ATOM 1248 C SER A 87 9.850 23.354 -0.660 1.00 0.00 C ATOM 1249 O SER A 87 10.046 23.708 -1.823 1.00 0.00 O ATOM 1250 CB SER A 87 11.230 23.824 1.374 1.00 0.00 C ATOM 1251 OG SER A 87 12.030 23.230 2.382 1.00 0.00 O ATOM 0 H SER A 87 12.593 23.588 -0.940 1.00 0.00 H new ATOM 0 HA SER A 87 10.736 21.878 0.609 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.714 24.730 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.271 24.123 1.796 1.00 0.00 H new ATOM 0 HG SER A 87 12.163 23.869 3.113 1.00 0.00 H new ATOM 1257 N SER A 88 8.652 23.378 -0.088 1.00 0.00 N ATOM 1258 CA SER A 88 7.468 23.827 -0.812 1.00 0.00 C ATOM 1259 C SER A 88 6.631 24.770 0.047 1.00 0.00 C ATOM 1260 O SER A 88 6.967 25.041 1.200 1.00 0.00 O ATOM 1261 CB SER A 88 6.623 22.628 -1.244 1.00 0.00 C ATOM 1262 OG SER A 88 6.170 21.891 -0.122 1.00 0.00 O ATOM 0 H SER A 88 8.474 23.092 0.875 1.00 0.00 H new ATOM 0 HA SER A 88 7.798 24.368 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.768 22.973 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.211 21.981 -1.895 1.00 0.00 H new ATOM 0 HG SER A 88 5.631 21.131 -0.426 1.00 0.00 H new ATOM 1268 N GLY A 89 5.538 25.268 -0.523 1.00 0.00 N ATOM 1269 CA GLY A 89 4.670 26.175 0.204 1.00 0.00 C ATOM 1270 C GLY A 89 3.201 25.916 -0.070 1.00 0.00 C ATOM 1271 O GLY A 89 2.888 25.033 -0.867 1.00 0.00 O ATOM 0 H GLY A 89 5.238 25.059 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.860 26.076 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.912 27.202 -0.069 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.431 2.753 7.409 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.593 -6.039 -0.573 1.00 0.00 ZN