USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 757 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 20 SER OG : rot 42:sc= -0.113 USER MOD Set 1.2: A 84 CYS SG : rot -86:sc= 0.471 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0762 (180deg=-0.481) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.011 (180deg=-0.186) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 5 SER OG : rot -20:sc= 1.26 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -4.58! C(o=-4.6!,f=-5.3!) USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 0.257 (180deg=-0.122) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 1.18 (180deg=1.08) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 23 ASN : amide:sc=-0.00562 K(o=-0.0056,f=-0.99) USER MOD Single : A 30 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 33 TYR OH : rot 15:sc= 1.24 USER MOD Single : A 40 GLN : amide:sc= -0.415 K(o=-0.41,f=-1.4) USER MOD Single : A 41 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.5!) USER MOD Single : A 51 HIS : no HE2:sc= -0.23 K(o=-0.23,f=-0.81) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 72:sc= 1.06 USER MOD Single : A 61 SER OG : rot 88:sc= 0.0428 USER MOD Single : A 63 MET CE :methyl 161:sc= -0.174 (180deg=-0.66) USER MOD Single : A 73 THR OG1 : rot 75:sc= 0.739 USER MOD Single : A 79 SER OG : rot 83:sc= 1.29 USER MOD Single : A 81 GLN : amide:sc=-0.00175 K(o=-0.0018,f=-0.93) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -162:sc= -0.0864 (180deg=-0.545) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.272 K(o=0.27,f=-4.9!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00166 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.878 17.639 5.296 1.00 0.00 N ATOM 2 CA MET A 1 7.405 17.652 5.163 1.00 0.00 C ATOM 3 C MET A 1 6.767 16.931 6.339 1.00 0.00 C ATOM 4 O MET A 1 7.147 15.809 6.674 1.00 0.00 O ATOM 5 CB MET A 1 6.979 16.986 3.851 1.00 0.00 C ATOM 6 CG MET A 1 7.438 17.733 2.609 1.00 0.00 C ATOM 7 SD MET A 1 7.026 16.868 1.080 1.00 0.00 S ATOM 8 CE MET A 1 5.236 16.838 1.177 1.00 0.00 C ATOM 0 H1 MET A 1 9.293 18.324 4.632 1.00 0.00 H new ATOM 0 H2 MET A 1 9.141 17.897 6.269 1.00 0.00 H new ATOM 0 H3 MET A 1 9.238 16.687 5.081 1.00 0.00 H new ATOM 0 HA MET A 1 7.068 18.689 5.155 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.378 15.972 3.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.892 16.902 3.833 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.981 18.722 2.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.517 17.881 2.658 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.822 16.618 0.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.923 16.069 1.883 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.874 17.809 1.514 1.00 0.00 H new ATOM 20 N GLU A 2 5.800 17.579 6.971 1.00 0.00 N ATOM 21 CA GLU A 2 5.132 17.008 8.131 1.00 0.00 C ATOM 22 C GLU A 2 4.035 16.036 7.716 1.00 0.00 C ATOM 23 O GLU A 2 2.844 16.365 7.744 1.00 0.00 O ATOM 24 CB GLU A 2 4.559 18.105 9.035 1.00 0.00 C ATOM 25 CG GLU A 2 5.579 18.734 9.974 1.00 0.00 C ATOM 26 CD GLU A 2 6.796 19.280 9.256 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.684 20.346 8.614 1.00 0.00 O ATOM 28 OE2 GLU A 2 7.870 18.644 9.327 1.00 0.00 O ATOM 0 H GLU A 2 5.460 18.502 6.700 1.00 0.00 H new ATOM 0 HA GLU A 2 5.881 16.454 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.126 18.886 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.747 17.685 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.102 19.541 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.899 17.990 10.703 1.00 0.00 H new ATOM 35 N VAL A 3 4.448 14.853 7.292 1.00 0.00 N ATOM 36 CA VAL A 3 3.518 13.775 7.005 1.00 0.00 C ATOM 37 C VAL A 3 3.362 12.894 8.240 1.00 0.00 C ATOM 38 O VAL A 3 3.898 11.787 8.323 1.00 0.00 O ATOM 39 CB VAL A 3 3.952 12.939 5.778 1.00 0.00 C ATOM 40 CG1 VAL A 3 3.679 13.711 4.494 1.00 0.00 C ATOM 41 CG2 VAL A 3 5.429 12.563 5.859 1.00 0.00 C ATOM 0 H VAL A 3 5.428 14.615 7.138 1.00 0.00 H new ATOM 0 HA VAL A 3 2.554 14.218 6.753 1.00 0.00 H new ATOM 0 HB VAL A 3 3.368 12.018 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.988 13.113 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.613 13.928 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.239 14.646 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.704 11.976 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.034 13.469 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.606 11.975 6.760 1.00 0.00 H new ATOM 51 N GLN A 4 2.646 13.430 9.216 1.00 0.00 N ATOM 52 CA GLN A 4 2.521 12.803 10.522 1.00 0.00 C ATOM 53 C GLN A 4 1.589 11.603 10.474 1.00 0.00 C ATOM 54 O GLN A 4 0.579 11.613 9.765 1.00 0.00 O ATOM 55 CB GLN A 4 1.998 13.819 11.536 1.00 0.00 C ATOM 56 CG GLN A 4 2.815 15.100 11.593 1.00 0.00 C ATOM 57 CD GLN A 4 2.230 16.115 12.553 1.00 0.00 C ATOM 58 OE1 GLN A 4 1.021 16.146 12.779 1.00 0.00 O ATOM 59 NE2 GLN A 4 3.077 16.956 13.124 1.00 0.00 N ATOM 0 H GLN A 4 2.137 14.309 9.126 1.00 0.00 H new ATOM 0 HA GLN A 4 3.509 12.454 10.824 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.966 14.067 11.289 1.00 0.00 H new ATOM 0 HB3 GLN A 4 1.988 13.360 12.525 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.835 14.864 11.895 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.871 15.537 10.596 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.073 16.899 12.912 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.734 17.661 13.777 1.00 0.00 H new ATOM 68 N SER A 5 1.936 10.574 11.229 1.00 0.00 N ATOM 69 CA SER A 5 1.090 9.405 11.371 1.00 0.00 C ATOM 70 C SER A 5 -0.108 9.745 12.254 1.00 0.00 C ATOM 71 O SER A 5 0.018 9.860 13.475 1.00 0.00 O ATOM 72 CB SER A 5 1.886 8.256 11.987 1.00 0.00 C ATOM 73 OG SER A 5 3.141 8.105 11.345 1.00 0.00 O ATOM 0 H SER A 5 2.807 10.527 11.757 1.00 0.00 H new ATOM 0 HA SER A 5 0.734 9.097 10.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.038 8.443 13.050 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.317 7.330 11.904 1.00 0.00 H new ATOM 0 HG SER A 5 3.111 8.533 10.464 1.00 0.00 H new ATOM 79 N MET A 6 -1.255 9.948 11.631 1.00 0.00 N ATOM 80 CA MET A 6 -2.465 10.300 12.356 1.00 0.00 C ATOM 81 C MET A 6 -3.282 9.056 12.658 1.00 0.00 C ATOM 82 O MET A 6 -3.497 8.216 11.784 1.00 0.00 O ATOM 83 CB MET A 6 -3.301 11.300 11.554 1.00 0.00 C ATOM 84 CG MET A 6 -2.615 12.640 11.355 1.00 0.00 C ATOM 85 SD MET A 6 -3.578 13.772 10.333 1.00 0.00 S ATOM 86 CE MET A 6 -2.543 15.233 10.383 1.00 0.00 C ATOM 0 H MET A 6 -1.375 9.875 10.621 1.00 0.00 H new ATOM 0 HA MET A 6 -2.177 10.766 13.298 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.531 10.870 10.579 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.251 11.459 12.064 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.435 13.099 12.327 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.641 12.479 10.893 1.00 0.00 H new ATOM 0 HE1 MET A 6 -3.005 16.026 9.795 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.431 15.565 11.415 1.00 0.00 H new ATOM 0 HE3 MET A 6 -1.562 14.998 9.969 1.00 0.00 H new ATOM 96 N LEU A 7 -3.731 8.946 13.899 1.00 0.00 N ATOM 97 CA LEU A 7 -4.499 7.791 14.340 1.00 0.00 C ATOM 98 C LEU A 7 -5.954 7.928 13.915 1.00 0.00 C ATOM 99 O LEU A 7 -6.669 6.937 13.764 1.00 0.00 O ATOM 100 CB LEU A 7 -4.408 7.643 15.863 1.00 0.00 C ATOM 101 CG LEU A 7 -2.988 7.505 16.422 1.00 0.00 C ATOM 102 CD1 LEU A 7 -3.018 7.420 17.939 1.00 0.00 C ATOM 103 CD2 LEU A 7 -2.300 6.281 15.836 1.00 0.00 C ATOM 0 H LEU A 7 -3.575 9.647 14.623 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.081 6.899 13.874 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.880 8.510 16.325 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.985 6.768 16.162 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.420 8.390 16.137 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.001 7.322 18.318 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.471 8.324 18.345 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.603 6.552 18.243 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.293 6.199 16.244 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.869 5.387 16.091 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.245 6.379 14.752 1.00 0.00 H new ATOM 115 N LEU A 8 -6.382 9.165 13.711 1.00 0.00 N ATOM 116 CA LEU A 8 -7.747 9.440 13.295 1.00 0.00 C ATOM 117 C LEU A 8 -7.902 9.191 11.801 1.00 0.00 C ATOM 118 O LEU A 8 -7.542 10.032 10.979 1.00 0.00 O ATOM 119 CB LEU A 8 -8.131 10.882 13.633 1.00 0.00 C ATOM 120 CG LEU A 8 -8.065 11.245 15.119 1.00 0.00 C ATOM 121 CD1 LEU A 8 -8.414 12.711 15.327 1.00 0.00 C ATOM 122 CD2 LEU A 8 -8.996 10.353 15.932 1.00 0.00 C ATOM 0 H LEU A 8 -5.801 9.995 13.827 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.415 8.769 13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.473 11.554 13.082 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.145 11.064 13.276 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.045 11.082 15.466 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.362 12.950 16.389 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.707 13.334 14.779 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.423 12.900 14.962 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.934 10.627 16.985 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.020 10.482 15.583 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.700 9.311 15.810 1.00 0.00 H new ATOM 134 N ASN A 9 -8.395 8.013 11.454 1.00 0.00 N ATOM 135 CA ASN A 9 -8.601 7.651 10.057 1.00 0.00 C ATOM 136 C ASN A 9 -10.078 7.704 9.706 1.00 0.00 C ATOM 137 O ASN A 9 -10.897 7.056 10.362 1.00 0.00 O ATOM 138 CB ASN A 9 -8.062 6.243 9.764 1.00 0.00 C ATOM 139 CG ASN A 9 -6.544 6.168 9.688 1.00 0.00 C ATOM 140 OD1 ASN A 9 -5.994 5.367 8.932 1.00 0.00 O ATOM 141 ND2 ASN A 9 -5.858 6.993 10.460 1.00 0.00 N ATOM 0 H ASN A 9 -8.661 7.288 12.121 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.055 8.371 9.447 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.411 5.562 10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.481 5.893 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.838 6.979 10.442 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.348 7.643 11.074 1.00 0.00 H new ATOM 148 N ASP A 10 -10.415 8.481 8.680 1.00 0.00 N ATOM 149 CA ASP A 10 -11.790 8.548 8.188 1.00 0.00 C ATOM 150 C ASP A 10 -12.270 7.174 7.766 1.00 0.00 C ATOM 151 O ASP A 10 -13.357 6.738 8.139 1.00 0.00 O ATOM 152 CB ASP A 10 -11.913 9.505 6.998 1.00 0.00 C ATOM 153 CG ASP A 10 -11.890 10.962 7.399 1.00 0.00 C ATOM 154 OD1 ASP A 10 -12.879 11.431 8.003 1.00 0.00 O ATOM 155 OD2 ASP A 10 -10.891 11.646 7.099 1.00 0.00 O ATOM 0 H ASP A 10 -9.757 9.073 8.173 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.408 8.921 9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.097 9.314 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.842 9.296 6.467 1.00 0.00 H new ATOM 160 N VAL A 11 -11.448 6.494 6.991 1.00 0.00 N ATOM 161 CA VAL A 11 -11.791 5.175 6.499 1.00 0.00 C ATOM 162 C VAL A 11 -10.861 4.123 7.085 1.00 0.00 C ATOM 163 O VAL A 11 -9.656 4.115 6.809 1.00 0.00 O ATOM 164 CB VAL A 11 -11.729 5.107 4.958 1.00 0.00 C ATOM 165 CG1 VAL A 11 -12.161 3.733 4.458 1.00 0.00 C ATOM 166 CG2 VAL A 11 -12.590 6.196 4.335 1.00 0.00 C ATOM 0 H VAL A 11 -10.536 6.835 6.688 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.815 4.973 6.814 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.695 5.271 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.109 3.709 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.499 2.971 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.184 3.535 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.531 6.129 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.625 6.067 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.231 7.173 4.658 1.00 0.00 H new ATOM 176 N LYS A 12 -11.419 3.265 7.922 1.00 0.00 N ATOM 177 CA LYS A 12 -10.701 2.103 8.408 1.00 0.00 C ATOM 178 C LYS A 12 -10.931 0.948 7.446 1.00 0.00 C ATOM 179 O LYS A 12 -12.025 0.801 6.901 1.00 0.00 O ATOM 180 CB LYS A 12 -11.174 1.714 9.814 1.00 0.00 C ATOM 181 CG LYS A 12 -10.535 0.432 10.322 1.00 0.00 C ATOM 182 CD LYS A 12 -11.149 -0.044 11.626 1.00 0.00 C ATOM 183 CE LYS A 12 -10.655 -1.439 11.975 1.00 0.00 C ATOM 184 NZ LYS A 12 -11.009 -2.430 10.922 1.00 0.00 N ATOM 0 H LYS A 12 -12.370 3.353 8.279 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.638 2.339 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.947 2.525 10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.258 1.595 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.642 -0.347 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.467 0.594 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.894 0.649 12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.236 -0.048 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.573 -1.419 12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.086 -1.750 12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.889 -3.393 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.998 -2.291 10.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.387 -2.299 10.099 1.00 0.00 H new ATOM 198 N TRP A 13 -9.911 0.139 7.223 1.00 0.00 N ATOM 199 CA TRP A 13 -10.043 -0.979 6.311 1.00 0.00 C ATOM 200 C TRP A 13 -10.766 -2.136 6.978 1.00 0.00 C ATOM 201 O TRP A 13 -10.405 -2.558 8.083 1.00 0.00 O ATOM 202 CB TRP A 13 -8.682 -1.434 5.791 1.00 0.00 C ATOM 203 CG TRP A 13 -8.522 -1.189 4.327 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.377 -1.587 3.341 1.00 0.00 C ATOM 205 CD2 TRP A 13 -7.450 -0.501 3.677 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.912 -1.178 2.120 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.725 -0.511 2.296 1.00 0.00 C ATOM 208 CE3 TRP A 13 -6.284 0.125 4.127 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.877 0.081 1.364 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -5.444 0.713 3.201 1.00 0.00 C ATOM 211 CH2 TRP A 13 -5.744 0.689 1.833 1.00 0.00 C ATOM 0 H TRP A 13 -8.992 0.234 7.656 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.635 -0.642 5.460 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.895 -0.909 6.333 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.555 -2.497 5.995 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.288 -2.144 3.501 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.373 -1.342 1.225 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.044 0.149 5.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.105 0.061 0.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -4.540 1.200 3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -5.068 1.160 1.134 1.00 0.00 H new ATOM 222 N GLU A 14 -11.796 -2.633 6.309 1.00 0.00 N ATOM 223 CA GLU A 14 -12.540 -3.783 6.804 1.00 0.00 C ATOM 224 C GLU A 14 -11.730 -5.042 6.561 1.00 0.00 C ATOM 225 O GLU A 14 -11.547 -5.868 7.457 1.00 0.00 O ATOM 226 CB GLU A 14 -13.897 -3.889 6.112 1.00 0.00 C ATOM 227 CG GLU A 14 -14.795 -2.687 6.343 1.00 0.00 C ATOM 228 CD GLU A 14 -16.128 -2.828 5.647 1.00 0.00 C ATOM 229 OE1 GLU A 14 -17.021 -3.501 6.203 1.00 0.00 O ATOM 230 OE2 GLU A 14 -16.288 -2.273 4.540 1.00 0.00 O ATOM 0 H GLU A 14 -12.136 -2.259 5.423 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.715 -3.660 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.740 -4.014 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.406 -4.785 6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.958 -2.558 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.294 -1.787 5.986 1.00 0.00 H new ATOM 237 N LYS A 15 -11.241 -5.168 5.339 1.00 0.00 N ATOM 238 CA LYS A 15 -10.323 -6.230 4.986 1.00 0.00 C ATOM 239 C LYS A 15 -8.904 -5.682 5.045 1.00 0.00 C ATOM 240 O LYS A 15 -8.493 -4.912 4.175 1.00 0.00 O ATOM 241 CB LYS A 15 -10.649 -6.774 3.592 1.00 0.00 C ATOM 242 CG LYS A 15 -12.059 -7.333 3.485 1.00 0.00 C ATOM 243 CD LYS A 15 -12.361 -7.863 2.091 1.00 0.00 C ATOM 244 CE LYS A 15 -13.794 -8.369 1.998 1.00 0.00 C ATOM 245 NZ LYS A 15 -14.126 -8.879 0.640 1.00 0.00 N ATOM 0 H LYS A 15 -11.470 -4.539 4.569 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.418 -7.057 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.524 -5.977 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.934 -7.556 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.187 -8.135 4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.778 -6.554 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.202 -7.074 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.670 -8.670 1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.945 -9.164 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.479 -7.562 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.984 -9.465 0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.291 -8.077 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.336 -9.452 0.282 1.00 0.00 H new ATOM 259 N PRO A 16 -8.153 -6.054 6.091 1.00 0.00 N ATOM 260 CA PRO A 16 -6.841 -5.466 6.386 1.00 0.00 C ATOM 261 C PRO A 16 -5.812 -5.708 5.287 1.00 0.00 C ATOM 262 O PRO A 16 -5.865 -6.713 4.570 1.00 0.00 O ATOM 263 CB PRO A 16 -6.415 -6.164 7.680 1.00 0.00 C ATOM 264 CG PRO A 16 -7.213 -7.421 7.724 1.00 0.00 C ATOM 265 CD PRO A 16 -8.520 -7.093 7.066 1.00 0.00 C ATOM 0 HA PRO A 16 -6.904 -4.381 6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.346 -6.376 7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.616 -5.539 8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.702 -8.228 7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.364 -7.754 8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.956 -7.966 6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.253 -6.729 7.786 1.00 0.00 H new ATOM 273 N VAL A 17 -4.883 -4.776 5.155 1.00 0.00 N ATOM 274 CA VAL A 17 -3.817 -4.892 4.177 1.00 0.00 C ATOM 275 C VAL A 17 -2.522 -5.293 4.866 1.00 0.00 C ATOM 276 O VAL A 17 -1.907 -4.490 5.567 1.00 0.00 O ATOM 277 CB VAL A 17 -3.598 -3.571 3.414 1.00 0.00 C ATOM 278 CG1 VAL A 17 -2.547 -3.748 2.330 1.00 0.00 C ATOM 279 CG2 VAL A 17 -4.902 -3.069 2.818 1.00 0.00 C ATOM 0 H VAL A 17 -4.847 -3.926 5.717 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.112 -5.657 3.459 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.239 -2.824 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.406 -2.805 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.604 -4.054 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.876 -4.512 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.723 -2.136 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.296 -3.813 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.625 -2.898 3.616 1.00 0.00 H new ATOM 289 N THR A 18 -2.131 -6.539 4.693 1.00 0.00 N ATOM 290 CA THR A 18 -0.894 -7.030 5.268 1.00 0.00 C ATOM 291 C THR A 18 0.229 -6.953 4.245 1.00 0.00 C ATOM 292 O THR A 18 0.242 -7.701 3.267 1.00 0.00 O ATOM 293 CB THR A 18 -1.048 -8.485 5.745 1.00 0.00 C ATOM 294 OG1 THR A 18 -2.286 -8.633 6.454 1.00 0.00 O ATOM 295 CG2 THR A 18 0.109 -8.884 6.649 1.00 0.00 C ATOM 0 H THR A 18 -2.653 -7.232 4.157 1.00 0.00 H new ATOM 0 HA THR A 18 -0.651 -6.402 6.125 1.00 0.00 H new ATOM 0 HB THR A 18 -1.045 -9.136 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.382 -9.561 6.755 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.022 -9.916 6.973 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.047 -8.792 6.101 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.132 -8.230 7.521 1.00 0.00 H new ATOM 303 N ILE A 19 1.149 -6.026 4.453 1.00 0.00 N ATOM 304 CA ILE A 19 2.291 -5.885 3.566 1.00 0.00 C ATOM 305 C ILE A 19 3.519 -6.525 4.204 1.00 0.00 C ATOM 306 O ILE A 19 3.796 -6.318 5.386 1.00 0.00 O ATOM 307 CB ILE A 19 2.571 -4.399 3.220 1.00 0.00 C ATOM 308 CG1 ILE A 19 3.630 -4.285 2.115 1.00 0.00 C ATOM 309 CG2 ILE A 19 3.007 -3.623 4.458 1.00 0.00 C ATOM 310 CD1 ILE A 19 3.713 -2.905 1.498 1.00 0.00 C ATOM 0 H ILE A 19 1.128 -5.361 5.226 1.00 0.00 H new ATOM 0 HA ILE A 19 2.059 -6.396 2.632 1.00 0.00 H new ATOM 0 HB ILE A 19 1.643 -3.962 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.604 -4.549 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.407 -5.011 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.197 -2.584 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.219 -3.664 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.917 -4.065 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.482 -2.898 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.751 -2.646 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.966 -2.177 2.268 1.00 0.00 H new ATOM 322 N SER A 20 4.225 -7.332 3.442 1.00 0.00 N ATOM 323 CA SER A 20 5.396 -8.007 3.955 1.00 0.00 C ATOM 324 C SER A 20 6.670 -7.317 3.486 1.00 0.00 C ATOM 325 O SER A 20 6.916 -7.185 2.288 1.00 0.00 O ATOM 326 CB SER A 20 5.380 -9.473 3.527 1.00 0.00 C ATOM 327 OG SER A 20 5.019 -9.599 2.164 1.00 0.00 O ATOM 0 H SER A 20 4.009 -7.536 2.466 1.00 0.00 H new ATOM 0 HA SER A 20 5.377 -7.961 5.044 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.364 -9.914 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.676 -10.029 4.146 1.00 0.00 H new ATOM 0 HG SER A 20 5.473 -8.907 1.640 1.00 0.00 H new ATOM 333 N LEU A 21 7.460 -6.846 4.440 1.00 0.00 N ATOM 334 CA LEU A 21 8.763 -6.280 4.131 1.00 0.00 C ATOM 335 C LEU A 21 9.690 -7.377 3.613 1.00 0.00 C ATOM 336 O LEU A 21 9.416 -8.561 3.802 1.00 0.00 O ATOM 337 CB LEU A 21 9.372 -5.590 5.358 1.00 0.00 C ATOM 338 CG LEU A 21 8.834 -4.185 5.668 1.00 0.00 C ATOM 339 CD1 LEU A 21 7.354 -4.216 6.027 1.00 0.00 C ATOM 340 CD2 LEU A 21 9.636 -3.550 6.790 1.00 0.00 C ATOM 0 H LEU A 21 7.221 -6.845 5.432 1.00 0.00 H new ATOM 0 HA LEU A 21 8.639 -5.523 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.204 -6.224 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.451 -5.523 5.216 1.00 0.00 H new ATOM 0 HG LEU A 21 8.943 -3.582 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.010 -3.204 6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.785 -4.625 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.206 -4.842 6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.244 -2.555 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.559 -4.166 7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.681 -3.473 6.491 1.00 0.00 H new ATOM 352 N GLN A 22 10.793 -6.981 2.991 1.00 0.00 N ATOM 353 CA GLN A 22 11.653 -7.923 2.273 1.00 0.00 C ATOM 354 C GLN A 22 12.316 -8.933 3.207 1.00 0.00 C ATOM 355 O GLN A 22 12.800 -9.972 2.760 1.00 0.00 O ATOM 356 CB GLN A 22 12.712 -7.165 1.475 1.00 0.00 C ATOM 357 CG GLN A 22 12.113 -6.250 0.420 1.00 0.00 C ATOM 358 CD GLN A 22 13.158 -5.466 -0.350 1.00 0.00 C ATOM 359 OE1 GLN A 22 14.218 -5.138 0.175 1.00 0.00 O ATOM 360 NE2 GLN A 22 12.865 -5.162 -1.606 1.00 0.00 N ATOM 0 H GLN A 22 11.116 -6.014 2.967 1.00 0.00 H new ATOM 0 HA GLN A 22 11.017 -8.487 1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.321 -6.574 2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.378 -7.881 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.527 -6.846 -0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.425 -5.554 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.973 -5.453 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.531 -4.637 -2.173 1.00 0.00 H new ATOM 369 N ASN A 23 12.325 -8.632 4.499 1.00 0.00 N ATOM 370 CA ASN A 23 12.874 -9.550 5.497 1.00 0.00 C ATOM 371 C ASN A 23 11.778 -10.448 6.069 1.00 0.00 C ATOM 372 O ASN A 23 11.983 -11.146 7.064 1.00 0.00 O ATOM 373 CB ASN A 23 13.554 -8.773 6.626 1.00 0.00 C ATOM 374 CG ASN A 23 14.854 -8.124 6.195 1.00 0.00 C ATOM 375 OD1 ASN A 23 15.556 -8.628 5.315 1.00 0.00 O ATOM 376 ND2 ASN A 23 15.184 -6.999 6.809 1.00 0.00 N ATOM 0 H ASN A 23 11.959 -7.761 4.883 1.00 0.00 H new ATOM 0 HA ASN A 23 13.617 -10.178 5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.874 -8.004 6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.750 -9.448 7.459 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.047 -6.516 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.575 -6.615 7.532 1.00 0.00 H new ATOM 383 N GLY A 24 10.618 -10.430 5.429 1.00 0.00 N ATOM 384 CA GLY A 24 9.498 -11.222 5.891 1.00 0.00 C ATOM 385 C GLY A 24 8.817 -10.594 7.084 1.00 0.00 C ATOM 386 O GLY A 24 8.522 -11.268 8.068 1.00 0.00 O ATOM 0 H GLY A 24 10.432 -9.877 4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.777 -11.338 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.845 -12.221 6.155 1.00 0.00 H new ATOM 390 N ALA A 25 8.575 -9.295 7.002 1.00 0.00 N ATOM 391 CA ALA A 25 7.933 -8.572 8.090 1.00 0.00 C ATOM 392 C ALA A 25 6.538 -8.111 7.684 1.00 0.00 C ATOM 393 O ALA A 25 6.385 -7.094 7.011 1.00 0.00 O ATOM 394 CB ALA A 25 8.785 -7.386 8.519 1.00 0.00 C ATOM 0 H ALA A 25 8.813 -8.720 6.194 1.00 0.00 H new ATOM 0 HA ALA A 25 7.834 -9.250 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.289 -6.857 9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.759 -7.741 8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.918 -6.709 7.675 1.00 0.00 H new ATOM 400 N PRO A 26 5.507 -8.873 8.066 1.00 0.00 N ATOM 401 CA PRO A 26 4.114 -8.556 7.747 1.00 0.00 C ATOM 402 C PRO A 26 3.565 -7.434 8.624 1.00 0.00 C ATOM 403 O PRO A 26 3.508 -7.562 9.848 1.00 0.00 O ATOM 404 CB PRO A 26 3.364 -9.868 8.033 1.00 0.00 C ATOM 405 CG PRO A 26 4.419 -10.886 8.326 1.00 0.00 C ATOM 406 CD PRO A 26 5.603 -10.120 8.830 1.00 0.00 C ATOM 0 HA PRO A 26 4.005 -8.205 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.685 -9.754 8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.759 -10.167 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.073 -11.603 9.070 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.673 -11.453 7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.549 -9.945 9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.539 -10.644 8.639 1.00 0.00 H new ATOM 414 N ARG A 27 3.189 -6.331 7.999 1.00 0.00 N ATOM 415 CA ARG A 27 2.585 -5.218 8.710 1.00 0.00 C ATOM 416 C ARG A 27 1.152 -5.023 8.250 1.00 0.00 C ATOM 417 O ARG A 27 0.897 -4.755 7.074 1.00 0.00 O ATOM 418 CB ARG A 27 3.402 -3.940 8.510 1.00 0.00 C ATOM 419 CG ARG A 27 4.756 -3.992 9.199 1.00 0.00 C ATOM 420 CD ARG A 27 5.535 -2.697 9.040 1.00 0.00 C ATOM 421 NE ARG A 27 6.777 -2.730 9.811 1.00 0.00 N ATOM 422 CZ ARG A 27 7.759 -1.835 9.705 1.00 0.00 C ATOM 423 NH1 ARG A 27 7.666 -0.829 8.848 1.00 0.00 N ATOM 424 NH2 ARG A 27 8.837 -1.957 10.467 1.00 0.00 N ATOM 0 H ARG A 27 3.292 -6.183 6.995 1.00 0.00 H new ATOM 0 HA ARG A 27 2.578 -5.446 9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.549 -3.771 7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.837 -3.090 8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.614 -4.200 10.260 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.339 -4.817 8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.762 -2.533 7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.922 -1.858 9.369 1.00 0.00 H new ATOM 0 HE ARG A 27 6.901 -3.492 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.837 -0.734 8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.423 -0.150 8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.910 -2.731 11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.594 -1.277 10.393 1.00 0.00 H new ATOM 438 N ILE A 28 0.223 -5.187 9.178 1.00 0.00 N ATOM 439 CA ILE A 28 -1.194 -5.112 8.874 1.00 0.00 C ATOM 440 C ILE A 28 -1.707 -3.691 9.061 1.00 0.00 C ATOM 441 O ILE A 28 -1.670 -3.153 10.167 1.00 0.00 O ATOM 442 CB ILE A 28 -2.003 -6.066 9.780 1.00 0.00 C ATOM 443 CG1 ILE A 28 -1.488 -7.502 9.639 1.00 0.00 C ATOM 444 CG2 ILE A 28 -3.486 -5.993 9.447 1.00 0.00 C ATOM 445 CD1 ILE A 28 -2.196 -8.498 10.534 1.00 0.00 C ATOM 0 H ILE A 28 0.430 -5.375 10.159 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.325 -5.411 7.834 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.871 -5.753 10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.599 -7.817 8.602 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.422 -7.519 9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.039 -6.672 10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.843 -4.975 9.599 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.640 -6.280 8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.776 -9.491 10.377 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.063 -8.209 11.577 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.259 -8.512 10.294 1.00 0.00 H new ATOM 457 N PHE A 29 -2.167 -3.087 7.975 1.00 0.00 N ATOM 458 CA PHE A 29 -2.708 -1.738 8.026 1.00 0.00 C ATOM 459 C PHE A 29 -4.130 -1.751 8.560 1.00 0.00 C ATOM 460 O PHE A 29 -4.992 -2.479 8.057 1.00 0.00 O ATOM 461 CB PHE A 29 -2.681 -1.088 6.643 1.00 0.00 C ATOM 462 CG PHE A 29 -1.301 -0.973 6.072 1.00 0.00 C ATOM 463 CD1 PHE A 29 -0.294 -0.360 6.795 1.00 0.00 C ATOM 464 CD2 PHE A 29 -1.009 -1.483 4.818 1.00 0.00 C ATOM 465 CE1 PHE A 29 0.980 -0.255 6.279 1.00 0.00 C ATOM 466 CE2 PHE A 29 0.264 -1.383 4.296 1.00 0.00 C ATOM 467 CZ PHE A 29 1.260 -0.767 5.027 1.00 0.00 C ATOM 0 H PHE A 29 -2.176 -3.511 7.047 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.082 -1.153 8.700 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.301 -1.671 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.125 -0.094 6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.508 0.041 7.775 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.786 -1.964 4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.758 0.227 6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.481 -1.786 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.257 -0.685 4.620 1.00 0.00 H new ATOM 477 N ASN A 30 -4.360 -0.942 9.578 1.00 0.00 N ATOM 478 CA ASN A 30 -5.667 -0.839 10.205 1.00 0.00 C ATOM 479 C ASN A 30 -6.532 0.152 9.443 1.00 0.00 C ATOM 480 O ASN A 30 -7.716 -0.085 9.207 1.00 0.00 O ATOM 481 CB ASN A 30 -5.526 -0.382 11.661 1.00 0.00 C ATOM 482 CG ASN A 30 -4.652 -1.306 12.488 1.00 0.00 C ATOM 483 OD1 ASN A 30 -5.144 -2.236 13.128 1.00 0.00 O ATOM 484 ND2 ASN A 30 -3.350 -1.060 12.475 1.00 0.00 N ATOM 0 H ASN A 30 -3.649 -0.339 9.993 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.139 -1.821 10.186 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.105 0.623 11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.515 -0.323 12.115 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.714 -1.652 13.009 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.984 -0.279 11.931 1.00 0.00 H new ATOM 491 N GLY A 31 -5.926 1.259 9.049 1.00 0.00 N ATOM 492 CA GLY A 31 -6.654 2.292 8.350 1.00 0.00 C ATOM 493 C GLY A 31 -5.979 2.679 7.057 1.00 0.00 C ATOM 494 O GLY A 31 -4.792 2.406 6.866 1.00 0.00 O ATOM 0 H GLY A 31 -4.938 1.461 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.666 1.945 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.743 3.170 8.990 1.00 0.00 H new ATOM 498 N VAL A 32 -6.729 3.319 6.172 1.00 0.00 N ATOM 499 CA VAL A 32 -6.208 3.720 4.871 1.00 0.00 C ATOM 500 C VAL A 32 -5.065 4.723 5.015 1.00 0.00 C ATOM 501 O VAL A 32 -4.070 4.661 4.289 1.00 0.00 O ATOM 502 CB VAL A 32 -7.315 4.337 3.993 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.753 4.767 2.652 1.00 0.00 C ATOM 504 CG2 VAL A 32 -8.459 3.353 3.802 1.00 0.00 C ATOM 0 H VAL A 32 -7.704 3.573 6.331 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.831 2.818 4.389 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.704 5.219 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.549 5.200 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.970 5.509 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.336 3.901 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.230 3.808 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.086 2.451 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.882 3.094 4.773 1.00 0.00 H new ATOM 514 N TYR A 33 -5.197 5.630 5.974 1.00 0.00 N ATOM 515 CA TYR A 33 -4.194 6.665 6.184 1.00 0.00 C ATOM 516 C TYR A 33 -2.887 6.042 6.660 1.00 0.00 C ATOM 517 O TYR A 33 -1.802 6.513 6.322 1.00 0.00 O ATOM 518 CB TYR A 33 -4.693 7.696 7.201 1.00 0.00 C ATOM 519 CG TYR A 33 -3.773 8.882 7.377 1.00 0.00 C ATOM 520 CD1 TYR A 33 -2.760 8.875 8.328 1.00 0.00 C ATOM 521 CD2 TYR A 33 -3.926 10.015 6.592 1.00 0.00 C ATOM 522 CE1 TYR A 33 -1.928 9.965 8.487 1.00 0.00 C ATOM 523 CE2 TYR A 33 -3.100 11.108 6.747 1.00 0.00 C ATOM 524 CZ TYR A 33 -2.103 11.079 7.695 1.00 0.00 C ATOM 525 OH TYR A 33 -1.285 12.175 7.857 1.00 0.00 O ATOM 0 H TYR A 33 -5.987 5.670 6.618 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.015 7.173 5.236 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.674 8.054 6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.825 7.205 8.165 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.622 8.004 8.952 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.706 10.042 5.846 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.143 9.945 9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.235 11.982 6.128 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.501 11.923 8.389 1.00 0.00 H new ATOM 535 N GLU A 34 -3.007 4.968 7.431 1.00 0.00 N ATOM 536 CA GLU A 34 -1.844 4.268 7.959 1.00 0.00 C ATOM 537 C GLU A 34 -1.044 3.634 6.823 1.00 0.00 C ATOM 538 O GLU A 34 0.188 3.609 6.850 1.00 0.00 O ATOM 539 CB GLU A 34 -2.289 3.210 8.970 1.00 0.00 C ATOM 540 CG GLU A 34 -1.137 2.497 9.648 1.00 0.00 C ATOM 541 CD GLU A 34 -1.595 1.576 10.760 1.00 0.00 C ATOM 542 OE1 GLU A 34 -2.557 0.809 10.551 1.00 0.00 O ATOM 543 OE2 GLU A 34 -0.987 1.618 11.850 1.00 0.00 O ATOM 0 H GLU A 34 -3.902 4.562 7.705 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.198 4.983 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.910 3.684 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.913 2.474 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.586 1.919 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.446 3.236 10.054 1.00 0.00 H new ATOM 550 N ALA A 35 -1.755 3.147 5.813 1.00 0.00 N ATOM 551 CA ALA A 35 -1.117 2.583 4.631 1.00 0.00 C ATOM 552 C ALA A 35 -0.393 3.671 3.848 1.00 0.00 C ATOM 553 O ALA A 35 0.714 3.463 3.351 1.00 0.00 O ATOM 554 CB ALA A 35 -2.149 1.891 3.753 1.00 0.00 C ATOM 0 H ALA A 35 -2.775 3.132 5.789 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.383 1.843 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.658 1.474 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.627 1.089 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.903 2.613 3.440 1.00 0.00 H new ATOM 560 N PHE A 36 -1.027 4.834 3.757 1.00 0.00 N ATOM 561 CA PHE A 36 -0.447 5.983 3.073 1.00 0.00 C ATOM 562 C PHE A 36 0.842 6.426 3.768 1.00 0.00 C ATOM 563 O PHE A 36 1.837 6.739 3.113 1.00 0.00 O ATOM 564 CB PHE A 36 -1.462 7.135 3.043 1.00 0.00 C ATOM 565 CG PHE A 36 -0.994 8.352 2.296 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.074 8.401 0.914 1.00 0.00 C ATOM 567 CD2 PHE A 36 -0.485 9.450 2.975 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.655 9.521 0.222 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.061 10.571 2.287 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.147 10.608 0.910 1.00 0.00 C ATOM 0 H PHE A 36 -1.951 5.007 4.152 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.202 5.698 2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.386 6.778 2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.700 7.421 4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.468 7.554 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.420 9.428 4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.724 9.548 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.337 11.418 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.182 11.484 0.371 1.00 0.00 H new ATOM 580 N ASP A 37 0.810 6.435 5.099 1.00 0.00 N ATOM 581 CA ASP A 37 1.970 6.810 5.906 1.00 0.00 C ATOM 582 C ASP A 37 3.152 5.886 5.625 1.00 0.00 C ATOM 583 O ASP A 37 4.252 6.344 5.310 1.00 0.00 O ATOM 584 CB ASP A 37 1.616 6.757 7.395 1.00 0.00 C ATOM 585 CG ASP A 37 2.785 7.121 8.293 1.00 0.00 C ATOM 586 OD1 ASP A 37 3.647 6.253 8.543 1.00 0.00 O ATOM 587 OD2 ASP A 37 2.843 8.280 8.755 1.00 0.00 O ATOM 0 H ASP A 37 -0.014 6.185 5.646 1.00 0.00 H new ATOM 0 HA ASP A 37 2.254 7.828 5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.788 7.438 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.270 5.754 7.646 1.00 0.00 H new ATOM 592 N PHE A 38 2.902 4.583 5.726 1.00 0.00 N ATOM 593 CA PHE A 38 3.936 3.570 5.527 1.00 0.00 C ATOM 594 C PHE A 38 4.638 3.745 4.184 1.00 0.00 C ATOM 595 O PHE A 38 5.860 3.650 4.102 1.00 0.00 O ATOM 596 CB PHE A 38 3.320 2.171 5.617 1.00 0.00 C ATOM 597 CG PHE A 38 4.282 1.048 5.331 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.121 0.563 6.320 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.337 0.472 4.071 1.00 0.00 C ATOM 600 CE1 PHE A 38 5.997 -0.474 6.059 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.212 -0.564 3.803 1.00 0.00 C ATOM 602 CZ PHE A 38 6.042 -1.038 4.799 1.00 0.00 C ATOM 0 H PHE A 38 1.982 4.201 5.947 1.00 0.00 H new ATOM 0 HA PHE A 38 4.681 3.691 6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.906 2.033 6.616 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.488 2.108 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.091 1.000 7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.688 0.837 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.646 -0.843 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.246 -1.002 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.725 -1.849 4.593 1.00 0.00 H new ATOM 612 N LEU A 39 3.862 4.030 3.147 1.00 0.00 N ATOM 613 CA LEU A 39 4.393 4.150 1.793 1.00 0.00 C ATOM 614 C LEU A 39 5.412 5.282 1.674 1.00 0.00 C ATOM 615 O LEU A 39 6.302 5.233 0.826 1.00 0.00 O ATOM 616 CB LEU A 39 3.254 4.384 0.801 1.00 0.00 C ATOM 617 CG LEU A 39 2.260 3.229 0.661 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.103 3.632 -0.240 1.00 0.00 C ATOM 619 CD2 LEU A 39 2.957 1.989 0.118 1.00 0.00 C ATOM 0 H LEU A 39 2.856 4.184 3.217 1.00 0.00 H new ATOM 0 HA LEU A 39 4.902 3.215 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.708 5.277 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.685 4.592 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 39 1.861 2.993 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.405 2.800 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.589 4.492 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.484 3.893 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.235 1.177 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.383 2.210 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.753 1.690 0.801 1.00 0.00 H new ATOM 631 N GLN A 40 5.282 6.302 2.511 1.00 0.00 N ATOM 632 CA GLN A 40 6.193 7.437 2.452 1.00 0.00 C ATOM 633 C GLN A 40 7.258 7.348 3.539 1.00 0.00 C ATOM 634 O GLN A 40 8.360 7.870 3.380 1.00 0.00 O ATOM 635 CB GLN A 40 5.421 8.750 2.579 1.00 0.00 C ATOM 636 CG GLN A 40 4.397 8.955 1.474 1.00 0.00 C ATOM 637 CD GLN A 40 3.731 10.313 1.534 1.00 0.00 C ATOM 638 OE1 GLN A 40 3.576 10.902 2.601 1.00 0.00 O ATOM 639 NE2 GLN A 40 3.335 10.823 0.380 1.00 0.00 N ATOM 0 H GLN A 40 4.563 6.368 3.232 1.00 0.00 H new ATOM 0 HA GLN A 40 6.693 7.412 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.914 8.773 3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.127 9.581 2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.885 8.838 0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.635 8.179 1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.482 10.302 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.883 11.737 0.355 1.00 0.00 H new ATOM 648 N HIS A 41 6.927 6.691 4.638 1.00 0.00 N ATOM 649 CA HIS A 41 7.857 6.562 5.752 1.00 0.00 C ATOM 650 C HIS A 41 8.828 5.408 5.545 1.00 0.00 C ATOM 651 O HIS A 41 10.037 5.570 5.711 1.00 0.00 O ATOM 652 CB HIS A 41 7.103 6.373 7.070 1.00 0.00 C ATOM 653 CG HIS A 41 6.599 7.651 7.666 1.00 0.00 C ATOM 654 ND1 HIS A 41 7.080 8.161 8.851 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.646 8.519 7.246 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.443 9.281 9.136 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.569 9.524 8.178 1.00 0.00 N ATOM 0 H HIS A 41 6.024 6.239 4.785 1.00 0.00 H new ATOM 0 HA HIS A 41 8.432 7.487 5.798 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.259 5.703 6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.761 5.883 7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.056 8.435 6.345 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.609 9.896 10.008 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.940 10.326 8.137 1.00 0.00 H new ATOM 666 N GLU A 42 8.303 4.247 5.176 1.00 0.00 N ATOM 667 CA GLU A 42 9.121 3.049 5.057 1.00 0.00 C ATOM 668 C GLU A 42 8.741 2.225 3.835 1.00 0.00 C ATOM 669 O GLU A 42 8.036 1.224 3.941 1.00 0.00 O ATOM 670 CB GLU A 42 8.996 2.187 6.314 1.00 0.00 C ATOM 671 CG GLU A 42 9.608 2.815 7.553 1.00 0.00 C ATOM 672 CD GLU A 42 9.435 1.950 8.777 1.00 0.00 C ATOM 673 OE1 GLU A 42 9.820 0.762 8.725 1.00 0.00 O ATOM 674 OE2 GLU A 42 8.904 2.444 9.792 1.00 0.00 O ATOM 0 H GLU A 42 7.317 4.110 4.955 1.00 0.00 H new ATOM 0 HA GLU A 42 10.154 3.375 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.941 1.988 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.475 1.225 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.670 2.991 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.148 3.787 7.730 1.00 0.00 H new ATOM 681 N TRP A 43 9.187 2.662 2.674 1.00 0.00 N ATOM 682 CA TRP A 43 9.011 1.889 1.461 1.00 0.00 C ATOM 683 C TRP A 43 10.370 1.385 0.990 1.00 0.00 C ATOM 684 O TRP A 43 11.203 2.159 0.514 1.00 0.00 O ATOM 685 CB TRP A 43 8.327 2.740 0.389 1.00 0.00 C ATOM 686 CG TRP A 43 7.998 1.994 -0.870 1.00 0.00 C ATOM 687 CD1 TRP A 43 8.467 2.270 -2.116 1.00 0.00 C ATOM 688 CD2 TRP A 43 7.132 0.857 -1.009 1.00 0.00 C ATOM 689 NE1 TRP A 43 7.946 1.386 -3.027 1.00 0.00 N ATOM 690 CE2 TRP A 43 7.125 0.507 -2.371 1.00 0.00 C ATOM 691 CE3 TRP A 43 6.363 0.098 -0.118 1.00 0.00 C ATOM 692 CZ2 TRP A 43 6.382 -0.563 -2.866 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.626 -0.962 -0.610 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.640 -1.284 -1.973 1.00 0.00 C ATOM 0 H TRP A 43 9.674 3.549 2.545 1.00 0.00 H new ATOM 0 HA TRP A 43 8.370 1.029 1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.408 3.156 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.974 3.581 0.141 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.152 3.070 -2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.138 1.384 -4.029 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.346 0.337 0.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.392 -0.813 -3.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.028 -1.553 0.068 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.053 -2.119 -2.325 1.00 0.00 H new ATOM 705 N PRO A 44 10.624 0.077 1.147 1.00 0.00 N ATOM 706 CA PRO A 44 11.935 -0.526 0.872 1.00 0.00 C ATOM 707 C PRO A 44 12.154 -0.848 -0.606 1.00 0.00 C ATOM 708 O PRO A 44 12.775 -1.857 -0.944 1.00 0.00 O ATOM 709 CB PRO A 44 11.877 -1.810 1.695 1.00 0.00 C ATOM 710 CG PRO A 44 10.438 -2.205 1.674 1.00 0.00 C ATOM 711 CD PRO A 44 9.645 -0.924 1.616 1.00 0.00 C ATOM 0 HA PRO A 44 12.757 0.144 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.508 -2.587 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.228 -1.644 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.221 -2.835 0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.181 -2.781 2.563 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.800 -1.008 0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.240 -0.660 2.593 1.00 0.00 H new ATOM 719 N ALA A 45 11.668 0.025 -1.477 1.00 0.00 N ATOM 720 CA ALA A 45 11.776 -0.179 -2.915 1.00 0.00 C ATOM 721 C ALA A 45 11.449 1.108 -3.657 1.00 0.00 C ATOM 722 O ALA A 45 11.315 2.167 -3.046 1.00 0.00 O ATOM 723 CB ALA A 45 10.847 -1.301 -3.365 1.00 0.00 C ATOM 0 H ALA A 45 11.192 0.887 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 45 12.802 -0.465 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.940 -1.440 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.119 -2.225 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.817 -1.041 -3.120 1.00 0.00 H new ATOM 729 N ARG A 46 11.341 1.017 -4.974 1.00 0.00 N ATOM 730 CA ARG A 46 10.930 2.154 -5.787 1.00 0.00 C ATOM 731 C ARG A 46 9.551 1.891 -6.398 1.00 0.00 C ATOM 732 O ARG A 46 8.584 1.664 -5.671 1.00 0.00 O ATOM 733 CB ARG A 46 11.975 2.439 -6.868 1.00 0.00 C ATOM 734 CG ARG A 46 13.296 2.944 -6.314 1.00 0.00 C ATOM 735 CD ARG A 46 14.359 3.005 -7.393 1.00 0.00 C ATOM 736 NE ARG A 46 14.714 1.671 -7.873 1.00 0.00 N ATOM 737 CZ ARG A 46 15.423 1.434 -8.974 1.00 0.00 C ATOM 738 NH1 ARG A 46 15.822 2.437 -9.745 1.00 0.00 N ATOM 739 NH2 ARG A 46 15.724 0.188 -9.310 1.00 0.00 N ATOM 0 H ARG A 46 11.532 0.167 -5.504 1.00 0.00 H new ATOM 0 HA ARG A 46 10.856 3.039 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.154 1.528 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.575 3.177 -7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.156 3.935 -5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.629 2.289 -5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.999 3.608 -8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.248 3.500 -7.002 1.00 0.00 H new ATOM 0 HE ARG A 46 14.398 0.869 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.586 3.397 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.365 2.248 -10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.412 -0.587 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.267 0.004 -10.153 1.00 0.00 H new ATOM 753 N GLY A 47 9.445 1.938 -7.720 1.00 0.00 N ATOM 754 CA GLY A 47 8.173 1.677 -8.359 1.00 0.00 C ATOM 755 C GLY A 47 7.765 2.812 -9.269 1.00 0.00 C ATOM 756 O GLY A 47 7.148 2.592 -10.313 1.00 0.00 O ATOM 0 H GLY A 47 10.213 2.151 -8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.237 0.753 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.407 1.526 -7.598 1.00 0.00 H new ATOM 760 N ASP A 48 8.114 4.030 -8.848 1.00 0.00 N ATOM 761 CA ASP A 48 7.815 5.256 -9.595 1.00 0.00 C ATOM 762 C ASP A 48 6.311 5.420 -9.815 1.00 0.00 C ATOM 763 O ASP A 48 5.614 5.972 -8.964 1.00 0.00 O ATOM 764 CB ASP A 48 8.573 5.276 -10.928 1.00 0.00 C ATOM 765 CG ASP A 48 8.419 6.585 -11.675 1.00 0.00 C ATOM 766 OD1 ASP A 48 8.997 7.600 -11.233 1.00 0.00 O ATOM 767 OD2 ASP A 48 7.743 6.600 -12.724 1.00 0.00 O ATOM 0 H ASP A 48 8.615 4.195 -7.975 1.00 0.00 H new ATOM 0 HA ASP A 48 8.153 6.103 -8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.631 5.093 -10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.214 4.461 -11.556 1.00 0.00 H new ATOM 772 N ARG A 49 5.811 4.903 -10.932 1.00 0.00 N ATOM 773 CA ARG A 49 4.390 4.992 -11.251 1.00 0.00 C ATOM 774 C ARG A 49 3.560 4.224 -10.231 1.00 0.00 C ATOM 775 O ARG A 49 2.532 4.709 -9.759 1.00 0.00 O ATOM 776 CB ARG A 49 4.120 4.442 -12.651 1.00 0.00 C ATOM 777 CG ARG A 49 4.778 5.244 -13.761 1.00 0.00 C ATOM 778 CD ARG A 49 4.553 4.594 -15.115 1.00 0.00 C ATOM 779 NE ARG A 49 5.127 3.251 -15.172 1.00 0.00 N ATOM 780 CZ ARG A 49 4.529 2.210 -15.743 1.00 0.00 C ATOM 781 NH1 ARG A 49 3.328 2.344 -16.289 1.00 0.00 N ATOM 782 NH2 ARG A 49 5.138 1.030 -15.758 1.00 0.00 N ATOM 0 H ARG A 49 6.370 4.417 -11.633 1.00 0.00 H new ATOM 0 HA ARG A 49 4.103 6.043 -11.220 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.473 3.412 -12.701 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.044 4.419 -12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.375 6.257 -13.769 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.847 5.328 -13.568 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.484 4.542 -15.320 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.997 5.213 -15.894 1.00 0.00 H new ATOM 0 HE ARG A 49 6.043 3.103 -14.748 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.858 3.249 -16.272 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.874 1.542 -16.726 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.059 0.926 -15.333 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.684 0.227 -16.195 1.00 0.00 H new ATOM 796 N ALA A 50 4.027 3.030 -9.881 1.00 0.00 N ATOM 797 CA ALA A 50 3.323 2.183 -8.925 1.00 0.00 C ATOM 798 C ALA A 50 3.292 2.832 -7.545 1.00 0.00 C ATOM 799 O ALA A 50 2.333 2.673 -6.790 1.00 0.00 O ATOM 800 CB ALA A 50 3.973 0.809 -8.852 1.00 0.00 C ATOM 0 H ALA A 50 4.890 2.627 -10.245 1.00 0.00 H new ATOM 0 HA ALA A 50 2.295 2.064 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.435 0.190 -8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.939 0.338 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.011 0.914 -8.535 1.00 0.00 H new ATOM 806 N HIS A 51 4.341 3.583 -7.232 1.00 0.00 N ATOM 807 CA HIS A 51 4.441 4.253 -5.943 1.00 0.00 C ATOM 808 C HIS A 51 3.441 5.401 -5.866 1.00 0.00 C ATOM 809 O HIS A 51 2.713 5.535 -4.881 1.00 0.00 O ATOM 810 CB HIS A 51 5.870 4.764 -5.722 1.00 0.00 C ATOM 811 CG HIS A 51 6.091 5.400 -4.381 1.00 0.00 C ATOM 812 ND1 HIS A 51 6.544 4.704 -3.280 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.933 6.679 -3.973 1.00 0.00 C ATOM 814 CE1 HIS A 51 6.653 5.530 -2.255 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.287 6.736 -2.649 1.00 0.00 N ATOM 0 H HIS A 51 5.134 3.743 -7.854 1.00 0.00 H new ATOM 0 HA HIS A 51 4.205 3.538 -5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.564 3.931 -5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.110 5.489 -6.500 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.761 3.708 -3.260 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.591 7.505 -4.579 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.985 5.264 -1.262 1.00 0.00 H new ATOM 824 N GLU A 52 3.403 6.218 -6.911 1.00 0.00 N ATOM 825 CA GLU A 52 2.472 7.337 -6.974 1.00 0.00 C ATOM 826 C GLU A 52 1.031 6.843 -7.025 1.00 0.00 C ATOM 827 O GLU A 52 0.143 7.427 -6.399 1.00 0.00 O ATOM 828 CB GLU A 52 2.776 8.214 -8.189 1.00 0.00 C ATOM 829 CG GLU A 52 4.155 8.852 -8.143 1.00 0.00 C ATOM 830 CD GLU A 52 4.351 9.725 -6.921 1.00 0.00 C ATOM 831 OE1 GLU A 52 4.040 10.934 -6.992 1.00 0.00 O ATOM 832 OE2 GLU A 52 4.825 9.212 -5.888 1.00 0.00 O ATOM 0 H GLU A 52 4.007 6.126 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 52 2.596 7.934 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.693 7.611 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.023 8.999 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.914 8.070 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.304 9.451 -9.041 1.00 0.00 H new ATOM 839 N GLN A 53 0.807 5.764 -7.768 1.00 0.00 N ATOM 840 CA GLN A 53 -0.506 5.140 -7.845 1.00 0.00 C ATOM 841 C GLN A 53 -0.969 4.689 -6.463 1.00 0.00 C ATOM 842 O GLN A 53 -2.083 4.996 -6.049 1.00 0.00 O ATOM 843 CB GLN A 53 -0.463 3.950 -8.804 1.00 0.00 C ATOM 844 CG GLN A 53 -1.788 3.226 -8.952 1.00 0.00 C ATOM 845 CD GLN A 53 -1.721 2.107 -9.970 1.00 0.00 C ATOM 846 OE1 GLN A 53 -1.411 0.965 -9.638 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.999 2.431 -11.221 1.00 0.00 N ATOM 0 H GLN A 53 1.524 5.302 -8.328 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.218 5.874 -8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.140 4.299 -9.785 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.289 3.242 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.086 2.818 -7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.558 3.939 -9.249 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.252 3.391 -11.455 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.960 1.721 -11.952 1.00 0.00 H new ATOM 856 N ALA A 54 -0.095 3.984 -5.748 1.00 0.00 N ATOM 857 CA ALA A 54 -0.411 3.485 -4.414 1.00 0.00 C ATOM 858 C ALA A 54 -0.796 4.624 -3.471 1.00 0.00 C ATOM 859 O ALA A 54 -1.744 4.504 -2.691 1.00 0.00 O ATOM 860 CB ALA A 54 0.765 2.703 -3.852 1.00 0.00 C ATOM 0 H ALA A 54 0.842 3.745 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.270 2.819 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.516 2.336 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.986 1.858 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.638 3.353 -3.791 1.00 0.00 H new ATOM 866 N LEU A 55 -0.064 5.732 -3.554 1.00 0.00 N ATOM 867 CA LEU A 55 -0.368 6.905 -2.743 1.00 0.00 C ATOM 868 C LEU A 55 -1.734 7.473 -3.116 1.00 0.00 C ATOM 869 O LEU A 55 -2.539 7.810 -2.247 1.00 0.00 O ATOM 870 CB LEU A 55 0.711 7.979 -2.924 1.00 0.00 C ATOM 871 CG LEU A 55 2.112 7.589 -2.444 1.00 0.00 C ATOM 872 CD1 LEU A 55 3.097 8.716 -2.710 1.00 0.00 C ATOM 873 CD2 LEU A 55 2.094 7.244 -0.965 1.00 0.00 C ATOM 0 H LEU A 55 0.740 5.841 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.387 6.599 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.767 8.240 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.399 8.877 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 55 2.431 6.708 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.088 8.423 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.134 8.922 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.777 9.612 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.099 6.970 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.753 8.108 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.417 6.407 -0.795 1.00 0.00 H new ATOM 885 N ARG A 56 -1.995 7.554 -4.414 1.00 0.00 N ATOM 886 CA ARG A 56 -3.260 8.074 -4.916 1.00 0.00 C ATOM 887 C ARG A 56 -4.425 7.183 -4.496 1.00 0.00 C ATOM 888 O ARG A 56 -5.493 7.677 -4.139 1.00 0.00 O ATOM 889 CB ARG A 56 -3.207 8.197 -6.440 1.00 0.00 C ATOM 890 CG ARG A 56 -4.537 8.577 -7.064 1.00 0.00 C ATOM 891 CD ARG A 56 -4.413 8.770 -8.564 1.00 0.00 C ATOM 892 NE ARG A 56 -5.720 8.861 -9.208 1.00 0.00 N ATOM 893 CZ ARG A 56 -6.074 9.824 -10.056 1.00 0.00 C ATOM 894 NH1 ARG A 56 -5.239 10.821 -10.331 1.00 0.00 N ATOM 895 NH2 ARG A 56 -7.271 9.791 -10.630 1.00 0.00 N ATOM 0 H ARG A 56 -1.343 7.264 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.420 9.062 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.461 8.945 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.875 7.248 -6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.273 7.800 -6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.905 9.496 -6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.843 9.676 -8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.854 7.939 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.408 8.139 -8.994 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.319 10.852 -9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.518 11.555 -10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.916 9.029 -10.421 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.545 10.527 -11.280 1.00 0.00 H new ATOM 909 N LEU A 57 -4.210 5.872 -4.540 1.00 0.00 N ATOM 910 CA LEU A 57 -5.223 4.910 -4.117 1.00 0.00 C ATOM 911 C LEU A 57 -5.656 5.190 -2.683 1.00 0.00 C ATOM 912 O LEU A 57 -6.848 5.292 -2.390 1.00 0.00 O ATOM 913 CB LEU A 57 -4.684 3.480 -4.224 1.00 0.00 C ATOM 914 CG LEU A 57 -4.293 3.032 -5.633 1.00 0.00 C ATOM 915 CD1 LEU A 57 -3.584 1.688 -5.585 1.00 0.00 C ATOM 916 CD2 LEU A 57 -5.521 2.957 -6.529 1.00 0.00 C ATOM 0 H LEU A 57 -3.340 5.450 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.086 5.013 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.812 3.389 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.440 2.795 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.607 3.769 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.313 1.384 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.683 1.773 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.247 0.942 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.224 2.637 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.231 2.241 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.989 3.940 -6.588 1.00 0.00 H new ATOM 928 N CYS A 58 -4.678 5.335 -1.800 1.00 0.00 N ATOM 929 CA CYS A 58 -4.947 5.618 -0.397 1.00 0.00 C ATOM 930 C CYS A 58 -5.591 6.994 -0.242 1.00 0.00 C ATOM 931 O CYS A 58 -6.533 7.170 0.530 1.00 0.00 O ATOM 932 CB CYS A 58 -3.647 5.548 0.403 1.00 0.00 C ATOM 933 SG CYS A 58 -2.736 3.999 0.186 1.00 0.00 S ATOM 0 H CYS A 58 -3.687 5.261 -2.032 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.641 4.870 -0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.006 6.379 0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.875 5.679 1.461 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.205 3.970 -1.000 1.00 0.00 H new ATOM 939 N ARG A 59 -5.086 7.959 -1.001 1.00 0.00 N ATOM 940 CA ARG A 59 -5.576 9.330 -0.943 1.00 0.00 C ATOM 941 C ARG A 59 -7.053 9.394 -1.337 1.00 0.00 C ATOM 942 O ARG A 59 -7.865 10.001 -0.641 1.00 0.00 O ATOM 943 CB ARG A 59 -4.738 10.215 -1.872 1.00 0.00 C ATOM 944 CG ARG A 59 -4.877 11.708 -1.610 1.00 0.00 C ATOM 945 CD ARG A 59 -4.021 12.518 -2.573 1.00 0.00 C ATOM 946 NE ARG A 59 -4.526 12.443 -3.943 1.00 0.00 N ATOM 947 CZ ARG A 59 -3.777 12.173 -5.013 1.00 0.00 C ATOM 948 NH1 ARG A 59 -2.477 11.926 -4.886 1.00 0.00 N ATOM 949 NH2 ARG A 59 -4.339 12.156 -6.215 1.00 0.00 N ATOM 0 H ARG A 59 -4.330 7.814 -1.670 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.483 9.694 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.689 9.937 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.024 10.011 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.922 12.002 -1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.583 11.929 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.997 13.559 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.995 12.152 -2.543 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.521 12.609 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.043 11.942 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.914 11.721 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.336 12.348 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.774 11.951 -7.039 1.00 0.00 H new ATOM 963 N ALA A 60 -7.396 8.738 -2.442 1.00 0.00 N ATOM 964 CA ALA A 60 -8.766 8.738 -2.948 1.00 0.00 C ATOM 965 C ALA A 60 -9.694 7.927 -2.044 1.00 0.00 C ATOM 966 O ALA A 60 -10.898 8.190 -1.973 1.00 0.00 O ATOM 967 CB ALA A 60 -8.807 8.198 -4.368 1.00 0.00 C ATOM 0 H ALA A 60 -6.741 8.197 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.120 9.769 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.835 8.205 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.191 8.824 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.425 7.177 -4.380 1.00 0.00 H new ATOM 973 N SER A 61 -9.135 6.939 -1.359 1.00 0.00 N ATOM 974 CA SER A 61 -9.907 6.138 -0.420 1.00 0.00 C ATOM 975 C SER A 61 -10.263 6.963 0.816 1.00 0.00 C ATOM 976 O SER A 61 -11.352 6.827 1.367 1.00 0.00 O ATOM 977 CB SER A 61 -9.129 4.884 -0.026 1.00 0.00 C ATOM 978 OG SER A 61 -8.867 4.076 -1.159 1.00 0.00 O ATOM 0 H SER A 61 -8.153 6.674 -1.436 1.00 0.00 H new ATOM 0 HA SER A 61 -10.833 5.829 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.190 5.168 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.698 4.314 0.709 1.00 0.00 H new ATOM 0 HG SER A 61 -8.025 4.357 -1.574 1.00 0.00 H new ATOM 984 N LEU A 62 -9.343 7.832 1.230 1.00 0.00 N ATOM 985 CA LEU A 62 -9.591 8.740 2.345 1.00 0.00 C ATOM 986 C LEU A 62 -10.630 9.785 1.959 1.00 0.00 C ATOM 987 O LEU A 62 -11.339 10.316 2.815 1.00 0.00 O ATOM 988 CB LEU A 62 -8.294 9.429 2.780 1.00 0.00 C ATOM 989 CG LEU A 62 -7.260 8.516 3.437 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.956 9.265 3.664 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.794 7.969 4.753 1.00 0.00 C ATOM 0 H LEU A 62 -8.419 7.926 0.809 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.973 8.154 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.839 9.896 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.543 10.230 3.477 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.065 7.678 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.231 8.600 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.565 9.612 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.136 10.121 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.045 7.321 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.016 8.796 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.704 7.398 4.567 1.00 0.00 H new ATOM 1003 N MET A 63 -10.700 10.083 0.667 1.00 0.00 N ATOM 1004 CA MET A 63 -11.709 10.996 0.144 1.00 0.00 C ATOM 1005 C MET A 63 -13.079 10.330 0.166 1.00 0.00 C ATOM 1006 O MET A 63 -14.100 10.984 0.376 1.00 0.00 O ATOM 1007 CB MET A 63 -11.359 11.424 -1.285 1.00 0.00 C ATOM 1008 CG MET A 63 -10.097 12.264 -1.385 1.00 0.00 C ATOM 1009 SD MET A 63 -9.666 12.680 -3.089 1.00 0.00 S ATOM 1010 CE MET A 63 -11.136 13.569 -3.608 1.00 0.00 C ATOM 0 H MET A 63 -10.068 9.705 -0.039 1.00 0.00 H new ATOM 0 HA MET A 63 -11.733 11.883 0.777 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.240 10.533 -1.902 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.194 11.990 -1.699 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.232 13.183 -0.814 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.269 11.723 -0.927 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.906 14.170 -4.488 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.925 12.857 -3.851 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.471 14.220 -2.801 1.00 0.00 H new ATOM 1020 N GLY A 64 -13.087 9.020 -0.040 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.326 8.274 -0.023 1.00 0.00 C ATOM 1022 C GLY A 64 -14.799 7.902 -1.412 1.00 0.00 C ATOM 1023 O GLY A 64 -15.981 7.614 -1.619 1.00 0.00 O ATOM 0 H GLY A 64 -12.253 8.460 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.192 7.367 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.096 8.866 0.473 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.888 7.912 -2.373 1.00 0.00 N ATOM 1028 CA ASP A 65 -14.232 7.549 -3.743 1.00 0.00 C ATOM 1029 C ASP A 65 -13.865 6.105 -4.041 1.00 0.00 C ATOM 1030 O ASP A 65 -14.439 5.482 -4.934 1.00 0.00 O ATOM 1031 CB ASP A 65 -13.567 8.488 -4.750 1.00 0.00 C ATOM 1032 CG ASP A 65 -14.341 9.779 -4.920 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -15.432 9.742 -5.530 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -13.880 10.828 -4.434 1.00 0.00 O ATOM 0 H ASP A 65 -12.910 8.166 -2.233 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.312 7.652 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.553 8.714 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.484 7.986 -5.714 1.00 0.00 H new ATOM 1039 N VAL A 66 -12.916 5.569 -3.292 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.534 4.173 -3.441 1.00 0.00 C ATOM 1041 C VAL A 66 -13.160 3.344 -2.325 1.00 0.00 C ATOM 1042 O VAL A 66 -12.868 3.552 -1.146 1.00 0.00 O ATOM 1043 CB VAL A 66 -11.003 3.993 -3.430 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -10.637 2.530 -3.617 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -10.349 4.851 -4.505 1.00 0.00 C ATOM 0 H VAL A 66 -12.397 6.077 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 66 -12.902 3.829 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.628 4.321 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.552 2.422 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.068 1.941 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.028 2.176 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.269 4.707 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.729 4.560 -5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.580 5.901 -4.323 1.00 0.00 H new ATOM 1055 N ALA A 67 -14.028 2.412 -2.705 1.00 0.00 N ATOM 1056 CA ALA A 67 -14.777 1.614 -1.741 1.00 0.00 C ATOM 1057 C ALA A 67 -13.931 0.508 -1.105 1.00 0.00 C ATOM 1058 O ALA A 67 -14.173 -0.677 -1.330 1.00 0.00 O ATOM 1059 CB ALA A 67 -16.015 1.023 -2.399 1.00 0.00 C ATOM 0 H ALA A 67 -14.231 2.190 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 67 -15.077 2.284 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.566 0.429 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.651 1.828 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -15.716 0.388 -3.233 1.00 0.00 H new ATOM 1065 N GLY A 68 -12.925 0.913 -0.336 1.00 0.00 N ATOM 1066 CA GLY A 68 -12.174 -0.012 0.502 1.00 0.00 C ATOM 1067 C GLY A 68 -11.374 -1.063 -0.255 1.00 0.00 C ATOM 1068 O GLY A 68 -10.178 -0.892 -0.498 1.00 0.00 O ATOM 0 H GLY A 68 -12.611 1.882 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.491 0.562 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.869 -0.519 1.171 1.00 0.00 H new ATOM 1072 N GLU A 69 -12.035 -2.154 -0.625 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.353 -3.324 -1.168 1.00 0.00 C ATOM 1074 C GLU A 69 -10.725 -3.040 -2.529 1.00 0.00 C ATOM 1075 O GLU A 69 -9.753 -3.692 -2.919 1.00 0.00 O ATOM 1076 CB GLU A 69 -12.320 -4.501 -1.275 1.00 0.00 C ATOM 1077 CG GLU A 69 -11.637 -5.803 -1.648 1.00 0.00 C ATOM 1078 CD GLU A 69 -12.590 -6.971 -1.721 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.649 -6.924 -1.062 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -12.268 -7.954 -2.419 1.00 0.00 O ATOM 0 H GLU A 69 -13.048 -2.253 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.548 -3.578 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.835 -4.628 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.081 -4.271 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.143 -5.684 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.859 -6.021 -0.916 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.274 -2.073 -3.248 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.719 -1.687 -4.538 1.00 0.00 C ATOM 1089 C ILE A 70 -9.272 -1.225 -4.373 1.00 0.00 C ATOM 1090 O ILE A 70 -8.397 -1.586 -5.161 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.560 -0.576 -5.202 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -12.994 -1.072 -5.424 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.934 -0.137 -6.522 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.906 -0.048 -6.068 1.00 0.00 C ATOM 0 H ILE A 70 -12.098 -1.544 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.743 -2.561 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.583 0.288 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -12.966 -1.964 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.418 -1.369 -4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.544 0.646 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.930 0.245 -6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.880 -0.989 -7.200 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.902 -0.474 -6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.966 0.836 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.508 0.232 -7.043 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.021 -0.462 -3.314 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.676 0.003 -3.012 1.00 0.00 C ATOM 1108 C ALA A 71 -6.819 -1.149 -2.507 1.00 0.00 C ATOM 1109 O ALA A 71 -5.638 -1.239 -2.827 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.714 1.125 -1.985 1.00 0.00 C ATOM 0 H ALA A 71 -9.733 -0.154 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.233 0.392 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.698 1.459 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.295 1.959 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.176 0.762 -1.067 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.437 -2.040 -1.735 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.746 -3.209 -1.194 1.00 0.00 C ATOM 1118 C ARG A 72 -6.173 -4.058 -2.323 1.00 0.00 C ATOM 1119 O ARG A 72 -5.003 -4.443 -2.300 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.712 -4.056 -0.356 1.00 0.00 C ATOM 1121 CG ARG A 72 -7.039 -5.209 0.374 1.00 0.00 C ATOM 1122 CD ARG A 72 -8.054 -6.121 1.044 1.00 0.00 C ATOM 1123 NE ARG A 72 -7.435 -6.960 2.071 1.00 0.00 N ATOM 1124 CZ ARG A 72 -7.692 -8.258 2.241 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -8.518 -8.901 1.425 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -7.114 -8.917 3.238 1.00 0.00 N ATOM 0 H ARG A 72 -8.419 -1.974 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.930 -2.862 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.205 -3.414 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.490 -4.454 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.441 -5.786 -0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.354 -4.814 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.843 -5.518 1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.526 -6.754 0.293 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.761 -6.523 2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.966 -8.403 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.705 -9.894 1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.477 -8.431 3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.307 -9.910 3.373 1.00 0.00 H new ATOM 1140 N THR A 73 -7.007 -4.330 -3.317 1.00 0.00 N ATOM 1141 CA THR A 73 -6.621 -5.165 -4.440 1.00 0.00 C ATOM 1142 C THR A 73 -5.529 -4.494 -5.274 1.00 0.00 C ATOM 1143 O THR A 73 -4.546 -5.132 -5.661 1.00 0.00 O ATOM 1144 CB THR A 73 -7.841 -5.469 -5.333 1.00 0.00 C ATOM 1145 OG1 THR A 73 -8.926 -5.944 -4.520 1.00 0.00 O ATOM 1146 CG2 THR A 73 -7.499 -6.513 -6.386 1.00 0.00 C ATOM 0 H THR A 73 -7.964 -3.979 -3.366 1.00 0.00 H new ATOM 0 HA THR A 73 -6.229 -6.099 -4.039 1.00 0.00 H new ATOM 0 HB THR A 73 -8.133 -4.550 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.322 -5.192 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.376 -6.709 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.689 -6.144 -7.015 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.186 -7.435 -5.896 1.00 0.00 H new ATOM 1154 N ALA A 74 -5.694 -3.200 -5.526 1.00 0.00 N ATOM 1155 CA ALA A 74 -4.740 -2.454 -6.336 1.00 0.00 C ATOM 1156 C ALA A 74 -3.407 -2.290 -5.610 1.00 0.00 C ATOM 1157 O ALA A 74 -2.345 -2.329 -6.232 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.321 -1.100 -6.710 1.00 0.00 C ATOM 0 H ALA A 74 -6.479 -2.647 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.550 -3.019 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.601 -0.550 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.239 -1.243 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.540 -0.535 -5.804 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.472 -2.117 -4.292 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.276 -1.992 -3.466 1.00 0.00 C ATOM 1166 C PHE A 75 -1.393 -3.225 -3.630 1.00 0.00 C ATOM 1167 O PHE A 75 -0.191 -3.117 -3.887 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.672 -1.821 -1.994 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.526 -1.487 -1.081 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.735 -2.486 -0.537 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -1.246 -0.169 -0.761 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.313 -2.179 0.307 1.00 0.00 C ATOM 1173 CE2 PHE A 75 -0.198 0.144 0.083 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.583 -0.861 0.617 1.00 0.00 C ATOM 0 H PHE A 75 -4.347 -2.060 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.716 -1.114 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.422 -1.033 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.142 -2.741 -1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.941 -3.519 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.853 0.622 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.921 -2.968 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.010 1.176 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.403 -0.617 1.276 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.002 -4.398 -3.495 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.288 -5.656 -3.661 1.00 0.00 C ATOM 1186 C VAL A 76 -0.776 -5.797 -5.092 1.00 0.00 C ATOM 1187 O VAL A 76 0.358 -6.219 -5.314 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.181 -6.869 -3.308 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -1.454 -8.179 -3.576 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -2.623 -6.801 -1.855 1.00 0.00 C ATOM 0 H VAL A 76 -2.991 -4.502 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.442 -5.642 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.064 -6.832 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.104 -9.015 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.187 -8.238 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.549 -8.224 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.250 -7.662 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.746 -6.807 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.190 -5.885 -1.690 1.00 0.00 H new ATOM 1200 N ALA A 77 -1.611 -5.410 -6.054 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.260 -5.503 -7.468 1.00 0.00 C ATOM 1202 C ALA A 77 0.006 -4.709 -7.780 1.00 0.00 C ATOM 1203 O ALA A 77 0.892 -5.191 -8.486 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.416 -5.024 -8.334 1.00 0.00 C ATOM 0 H ALA A 77 -2.540 -5.027 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.061 -6.550 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.139 -5.100 -9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.293 -5.643 -8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.645 -3.986 -8.093 1.00 0.00 H new ATOM 1210 N ALA A 78 0.096 -3.500 -7.239 1.00 0.00 N ATOM 1211 CA ALA A 78 1.266 -2.654 -7.446 1.00 0.00 C ATOM 1212 C ALA A 78 2.492 -3.232 -6.740 1.00 0.00 C ATOM 1213 O ALA A 78 3.616 -3.136 -7.237 1.00 0.00 O ATOM 1214 CB ALA A 78 0.992 -1.241 -6.953 1.00 0.00 C ATOM 0 H ALA A 78 -0.627 -3.083 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 78 1.474 -2.620 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.874 -0.622 -7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.149 -0.821 -7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.756 -1.266 -5.889 1.00 0.00 H new ATOM 1220 N SER A 79 2.258 -3.863 -5.597 1.00 0.00 N ATOM 1221 CA SER A 79 3.338 -4.389 -4.773 1.00 0.00 C ATOM 1222 C SER A 79 3.912 -5.688 -5.352 1.00 0.00 C ATOM 1223 O SER A 79 4.956 -6.164 -4.903 1.00 0.00 O ATOM 1224 CB SER A 79 2.833 -4.622 -3.347 1.00 0.00 C ATOM 1225 OG SER A 79 2.285 -3.430 -2.805 1.00 0.00 O ATOM 0 H SER A 79 1.325 -4.024 -5.218 1.00 0.00 H new ATOM 0 HA SER A 79 4.142 -3.653 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.077 -5.407 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.653 -4.969 -2.718 1.00 0.00 H new ATOM 0 HG SER A 79 1.361 -3.325 -3.113 1.00 0.00 H new ATOM 1231 N ARG A 80 3.245 -6.250 -6.359 1.00 0.00 N ATOM 1232 CA ARG A 80 3.696 -7.504 -6.960 1.00 0.00 C ATOM 1233 C ARG A 80 5.050 -7.322 -7.638 1.00 0.00 C ATOM 1234 O ARG A 80 5.863 -8.246 -7.680 1.00 0.00 O ATOM 1235 CB ARG A 80 2.680 -8.034 -7.975 1.00 0.00 C ATOM 1236 CG ARG A 80 1.283 -8.222 -7.408 1.00 0.00 C ATOM 1237 CD ARG A 80 0.387 -8.989 -8.366 1.00 0.00 C ATOM 1238 NE ARG A 80 0.691 -10.419 -8.371 1.00 0.00 N ATOM 1239 CZ ARG A 80 1.080 -11.102 -9.446 1.00 0.00 C ATOM 1240 NH1 ARG A 80 1.234 -10.488 -10.613 1.00 0.00 N ATOM 1241 NH2 ARG A 80 1.313 -12.405 -9.350 1.00 0.00 N ATOM 0 H ARG A 80 2.398 -5.861 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 80 3.794 -8.233 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.630 -7.344 -8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.035 -8.988 -8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.344 -8.756 -6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.841 -7.248 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.656 -8.841 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.506 -8.589 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 80 0.599 -10.928 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.054 -9.487 -10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.532 -11.017 -11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.194 -12.880 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.611 -12.932 -10.171 1.00 0.00 H new ATOM 1255 N GLN A 81 5.294 -6.118 -8.149 1.00 0.00 N ATOM 1256 CA GLN A 81 6.547 -5.817 -8.832 1.00 0.00 C ATOM 1257 C GLN A 81 7.719 -5.839 -7.853 1.00 0.00 C ATOM 1258 O GLN A 81 8.860 -6.100 -8.237 1.00 0.00 O ATOM 1259 CB GLN A 81 6.459 -4.458 -9.533 1.00 0.00 C ATOM 1260 CG GLN A 81 7.728 -4.067 -10.276 1.00 0.00 C ATOM 1261 CD GLN A 81 7.561 -2.802 -11.092 1.00 0.00 C ATOM 1262 OE1 GLN A 81 6.472 -2.505 -11.586 1.00 0.00 O ATOM 1263 NE2 GLN A 81 8.637 -2.049 -11.245 1.00 0.00 N ATOM 0 H GLN A 81 4.641 -5.336 -8.103 1.00 0.00 H new ATOM 0 HA GLN A 81 6.719 -6.587 -9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.628 -4.476 -10.238 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.232 -3.691 -8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.536 -3.927 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.024 -4.883 -10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.521 -2.330 -10.820 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.583 -1.187 -11.788 1.00 0.00 H new ATOM 1272 N ALA A 82 7.426 -5.588 -6.582 1.00 0.00 N ATOM 1273 CA ALA A 82 8.448 -5.607 -5.545 1.00 0.00 C ATOM 1274 C ALA A 82 8.884 -7.037 -5.245 1.00 0.00 C ATOM 1275 O ALA A 82 9.926 -7.260 -4.628 1.00 0.00 O ATOM 1276 CB ALA A 82 7.938 -4.926 -4.283 1.00 0.00 C ATOM 0 H ALA A 82 6.488 -5.369 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 82 9.316 -5.056 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.714 -4.949 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.680 -3.891 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.054 -5.450 -3.919 1.00 0.00 H new ATOM 1282 N HIS A 83 8.071 -7.996 -5.694 1.00 0.00 N ATOM 1283 CA HIS A 83 8.358 -9.421 -5.530 1.00 0.00 C ATOM 1284 C HIS A 83 8.403 -9.810 -4.059 1.00 0.00 C ATOM 1285 O HIS A 83 9.191 -10.658 -3.651 1.00 0.00 O ATOM 1286 CB HIS A 83 9.672 -9.796 -6.226 1.00 0.00 C ATOM 1287 CG HIS A 83 9.617 -9.628 -7.711 1.00 0.00 C ATOM 1288 ND1 HIS A 83 10.478 -8.813 -8.413 1.00 0.00 N ATOM 1289 CD2 HIS A 83 8.788 -10.173 -8.629 1.00 0.00 C ATOM 1290 CE1 HIS A 83 10.179 -8.862 -9.697 1.00 0.00 C ATOM 1291 NE2 HIS A 83 9.155 -9.682 -9.856 1.00 0.00 N ATOM 0 H HIS A 83 7.195 -7.805 -6.181 1.00 0.00 H new ATOM 0 HA HIS A 83 7.547 -9.978 -6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.477 -9.180 -5.826 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.917 -10.832 -5.992 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.984 -10.867 -8.433 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.685 -8.323 -10.484 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.711 -9.912 -10.745 1.00 0.00 H new ATOM 1300 N CYS A 84 7.525 -9.203 -3.275 1.00 0.00 N ATOM 1301 CA CYS A 84 7.439 -9.488 -1.860 1.00 0.00 C ATOM 1302 C CYS A 84 6.007 -9.279 -1.382 1.00 0.00 C ATOM 1303 O CYS A 84 5.598 -8.164 -1.062 1.00 0.00 O ATOM 1304 CB CYS A 84 8.409 -8.601 -1.074 1.00 0.00 C ATOM 1305 SG CYS A 84 8.562 -9.039 0.672 1.00 0.00 S ATOM 0 H CYS A 84 6.858 -8.504 -3.604 1.00 0.00 H new ATOM 0 HA CYS A 84 7.720 -10.527 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.393 -8.657 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 84 8.079 -7.565 -1.150 1.00 0.00 H new ATOM 0 HG CYS A 84 7.632 -8.438 1.353 1.00 0.00 H new ATOM 1311 N LEU A 85 5.239 -10.356 -1.397 1.00 0.00 N ATOM 1312 CA LEU A 85 3.845 -10.321 -0.975 1.00 0.00 C ATOM 1313 C LEU A 85 3.619 -11.315 0.155 1.00 0.00 C ATOM 1314 O LEU A 85 4.544 -12.015 0.562 1.00 0.00 O ATOM 1315 CB LEU A 85 2.928 -10.657 -2.154 1.00 0.00 C ATOM 1316 CG LEU A 85 2.995 -9.688 -3.336 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.139 -10.193 -4.485 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.545 -8.299 -2.910 1.00 0.00 C ATOM 0 H LEU A 85 5.560 -11.275 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 85 3.611 -9.317 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.176 -11.657 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.900 -10.693 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 85 4.029 -9.628 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.198 -9.492 -5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.501 -11.170 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.103 -10.280 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.599 -7.622 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.518 -8.345 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.195 -7.934 -2.115 1.00 0.00 H new ATOM 1330 N MET A 86 2.396 -11.365 0.671 1.00 0.00 N ATOM 1331 CA MET A 86 2.052 -12.334 1.704 1.00 0.00 C ATOM 1332 C MET A 86 1.853 -13.711 1.094 1.00 0.00 C ATOM 1333 O MET A 86 2.027 -14.729 1.764 1.00 0.00 O ATOM 1334 CB MET A 86 0.797 -11.909 2.466 1.00 0.00 C ATOM 1335 CG MET A 86 1.022 -10.732 3.398 1.00 0.00 C ATOM 1336 SD MET A 86 2.253 -11.081 4.670 1.00 0.00 S ATOM 1337 CE MET A 86 1.466 -12.435 5.545 1.00 0.00 C ATOM 0 H MET A 86 1.631 -10.750 0.393 1.00 0.00 H new ATOM 0 HA MET A 86 2.880 -12.376 2.411 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.017 -11.651 1.750 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.430 -12.756 3.046 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.341 -9.868 2.816 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.079 -10.464 3.874 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.927 -12.551 6.526 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.404 -12.221 5.666 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.588 -13.356 4.975 1.00 0.00 H new ATOM 1347 N GLU A 87 1.492 -13.734 -0.185 1.00 0.00 N ATOM 1348 CA GLU A 87 1.352 -14.985 -0.911 1.00 0.00 C ATOM 1349 C GLU A 87 2.731 -15.550 -1.216 1.00 0.00 C ATOM 1350 O GLU A 87 3.402 -15.104 -2.147 1.00 0.00 O ATOM 1351 CB GLU A 87 0.573 -14.783 -2.215 1.00 0.00 C ATOM 1352 CG GLU A 87 -0.813 -14.187 -2.024 1.00 0.00 C ATOM 1353 CD GLU A 87 -1.619 -14.152 -3.310 1.00 0.00 C ATOM 1354 OE1 GLU A 87 -1.300 -13.333 -4.198 1.00 0.00 O ATOM 1355 OE2 GLU A 87 -2.584 -14.939 -3.433 1.00 0.00 O ATOM 0 H GLU A 87 1.292 -12.900 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 87 0.795 -15.685 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.149 -14.132 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.477 -15.744 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.354 -14.768 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.718 -13.174 -1.632 1.00 0.00 H new ATOM 1362 N ASP A 88 3.164 -16.500 -0.403 1.00 0.00 N ATOM 1363 CA ASP A 88 4.450 -17.145 -0.606 1.00 0.00 C ATOM 1364 C ASP A 88 4.293 -18.308 -1.578 1.00 0.00 C ATOM 1365 O ASP A 88 3.303 -18.379 -2.309 1.00 0.00 O ATOM 1366 CB ASP A 88 5.032 -17.624 0.730 1.00 0.00 C ATOM 1367 CG ASP A 88 4.235 -18.749 1.360 1.00 0.00 C ATOM 1368 OD1 ASP A 88 3.115 -18.488 1.853 1.00 0.00 O ATOM 1369 OD2 ASP A 88 4.739 -19.894 1.381 1.00 0.00 O ATOM 0 H ASP A 88 2.643 -16.842 0.404 1.00 0.00 H new ATOM 0 HA ASP A 88 5.146 -16.423 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.058 -17.958 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.073 -16.784 1.423 1.00 0.00 H new ATOM 1374 N LYS A 89 5.263 -19.213 -1.600 1.00 0.00 N ATOM 1375 CA LYS A 89 5.240 -20.323 -2.542 1.00 0.00 C ATOM 1376 C LYS A 89 4.201 -21.369 -2.141 1.00 0.00 C ATOM 1377 O LYS A 89 4.528 -22.415 -1.578 1.00 0.00 O ATOM 1378 CB LYS A 89 6.625 -20.958 -2.667 1.00 0.00 C ATOM 1379 CG LYS A 89 7.707 -19.969 -3.062 1.00 0.00 C ATOM 1380 CD LYS A 89 9.040 -20.659 -3.285 1.00 0.00 C ATOM 1381 CE LYS A 89 10.135 -19.658 -3.593 1.00 0.00 C ATOM 1382 NZ LYS A 89 11.401 -20.328 -3.981 1.00 0.00 N ATOM 0 H LYS A 89 6.072 -19.200 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 89 4.955 -19.926 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.893 -21.418 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.585 -21.757 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.410 -19.448 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.813 -19.214 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.308 -21.232 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.951 -21.368 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.810 -19.000 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.309 -19.030 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.126 -19.610 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.725 -20.936 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.241 -20.908 -4.829 1.00 0.00 H new ATOM 1396 N ALA A 90 2.946 -21.041 -2.398 1.00 0.00 N ATOM 1397 CA ALA A 90 1.834 -21.953 -2.198 1.00 0.00 C ATOM 1398 C ALA A 90 0.846 -21.787 -3.342 1.00 0.00 C ATOM 1399 O ALA A 90 -0.254 -21.262 -3.170 1.00 0.00 O ATOM 1400 CB ALA A 90 1.156 -21.701 -0.858 1.00 0.00 C ATOM 0 H ALA A 90 2.669 -20.126 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 90 2.207 -22.977 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.327 -22.397 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.876 -21.846 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.779 -20.679 -0.827 1.00 0.00 H new ATOM 1406 N GLU A 91 1.272 -22.198 -4.525 1.00 0.00 N ATOM 1407 CA GLU A 91 0.485 -22.007 -5.729 1.00 0.00 C ATOM 1408 C GLU A 91 -0.405 -23.215 -5.982 1.00 0.00 C ATOM 1409 O GLU A 91 0.032 -24.222 -6.542 1.00 0.00 O ATOM 1410 CB GLU A 91 1.405 -21.765 -6.924 1.00 0.00 C ATOM 1411 CG GLU A 91 2.392 -20.628 -6.711 1.00 0.00 C ATOM 1412 CD GLU A 91 3.362 -20.481 -7.863 1.00 0.00 C ATOM 1413 OE1 GLU A 91 3.994 -21.493 -8.239 1.00 0.00 O ATOM 1414 OE2 GLU A 91 3.499 -19.359 -8.394 1.00 0.00 O ATOM 0 H GLU A 91 2.164 -22.669 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.153 -21.133 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.958 -22.680 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.797 -21.548 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 91 1.844 -19.695 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.949 -20.802 -5.791 1.00 0.00 H new ATOM 1421 N ALA A 92 -1.645 -23.115 -5.538 1.00 0.00 N ATOM 1422 CA ALA A 92 -2.623 -24.170 -5.746 1.00 0.00 C ATOM 1423 C ALA A 92 -3.833 -23.623 -6.490 1.00 0.00 C ATOM 1424 O ALA A 92 -4.711 -23.001 -5.888 1.00 0.00 O ATOM 1425 CB ALA A 92 -3.040 -24.784 -4.417 1.00 0.00 C ATOM 0 H ALA A 92 -2.001 -22.307 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.168 -24.953 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.772 -25.572 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.166 -25.206 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.481 -24.015 -3.783 1.00 0.00 H new ATOM 1431 N PRO A 93 -3.872 -23.814 -7.817 1.00 0.00 N ATOM 1432 CA PRO A 93 -4.978 -23.336 -8.653 1.00 0.00 C ATOM 1433 C PRO A 93 -6.302 -24.011 -8.301 1.00 0.00 C ATOM 1434 O PRO A 93 -7.258 -23.349 -7.894 1.00 0.00 O ATOM 1435 CB PRO A 93 -4.544 -23.699 -10.078 1.00 0.00 C ATOM 1436 CG PRO A 93 -3.514 -24.766 -9.917 1.00 0.00 C ATOM 1437 CD PRO A 93 -2.834 -24.496 -8.605 1.00 0.00 C ATOM 0 HA PRO A 93 -5.159 -22.270 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.389 -24.054 -10.668 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.135 -22.832 -10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.973 -25.755 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.798 -24.743 -10.739 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.506 -25.418 -8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.950 -23.871 -8.732 1.00 0.00 H new ATOM 1445 N ASN A 94 -6.343 -25.327 -8.444 1.00 0.00 N ATOM 1446 CA ASN A 94 -7.542 -26.092 -8.136 1.00 0.00 C ATOM 1447 C ASN A 94 -7.475 -26.629 -6.711 1.00 0.00 C ATOM 1448 O ASN A 94 -6.454 -26.491 -6.035 1.00 0.00 O ATOM 1449 CB ASN A 94 -7.726 -27.249 -9.128 1.00 0.00 C ATOM 1450 CG ASN A 94 -6.614 -28.285 -9.061 1.00 0.00 C ATOM 1451 OD1 ASN A 94 -5.461 -27.971 -8.759 1.00 0.00 O ATOM 1452 ND2 ASN A 94 -6.951 -29.532 -9.349 1.00 0.00 N ATOM 0 H ASN A 94 -5.558 -25.889 -8.772 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.400 -25.426 -8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.680 -27.738 -8.932 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.777 -26.846 -10.139 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.246 -30.269 -9.325 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.915 -29.756 -9.595 1.00 0.00 H new ATOM 1459 N THR A 95 -8.558 -27.234 -6.258 1.00 0.00 N ATOM 1460 CA THR A 95 -8.632 -27.753 -4.905 1.00 0.00 C ATOM 1461 C THR A 95 -8.368 -29.255 -4.849 1.00 0.00 C ATOM 1462 O THR A 95 -9.047 -30.047 -5.504 1.00 0.00 O ATOM 1463 CB THR A 95 -10.005 -27.443 -4.289 1.00 0.00 C ATOM 1464 OG1 THR A 95 -11.026 -27.559 -5.293 1.00 0.00 O ATOM 1465 CG2 THR A 95 -10.026 -26.044 -3.695 1.00 0.00 C ATOM 0 H THR A 95 -9.403 -27.378 -6.811 1.00 0.00 H new ATOM 0 HA THR A 95 -7.851 -27.258 -4.328 1.00 0.00 H new ATOM 0 HB THR A 95 -10.195 -28.161 -3.491 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.900 -27.362 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.008 -25.846 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.267 -25.968 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.819 -25.314 -4.477 1.00 0.00 H new ATOM 1473 N ILE A 96 -7.362 -29.634 -4.074 1.00 0.00 N ATOM 1474 CA ILE A 96 -7.061 -31.036 -3.826 1.00 0.00 C ATOM 1475 C ILE A 96 -7.423 -31.361 -2.380 1.00 0.00 C ATOM 1476 O ILE A 96 -7.305 -30.501 -1.506 1.00 0.00 O ATOM 1477 CB ILE A 96 -5.561 -31.373 -4.090 1.00 0.00 C ATOM 1478 CG1 ILE A 96 -5.193 -31.170 -5.566 1.00 0.00 C ATOM 1479 CG2 ILE A 96 -5.236 -32.803 -3.677 1.00 0.00 C ATOM 1480 CD1 ILE A 96 -4.989 -29.724 -5.963 1.00 0.00 C ATOM 0 H ILE A 96 -6.735 -28.982 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.648 -31.642 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.970 -30.687 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.280 -31.726 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.980 -31.598 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.184 -33.008 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.438 -32.929 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.853 -33.496 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.732 -29.670 -7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.907 -29.164 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.181 -29.295 -5.371 1.00 0.00 H new ATOM 1492 N ALA A 97 -7.859 -32.591 -2.126 1.00 0.00 N ATOM 1493 CA ALA A 97 -8.321 -32.999 -0.797 1.00 0.00 C ATOM 1494 C ALA A 97 -7.172 -33.133 0.209 1.00 0.00 C ATOM 1495 O ALA A 97 -7.338 -33.719 1.279 1.00 0.00 O ATOM 1496 CB ALA A 97 -9.085 -34.309 -0.891 1.00 0.00 C ATOM 0 H ALA A 97 -7.903 -33.330 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.980 -32.212 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.424 -34.604 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.947 -34.181 -1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.433 -35.082 -1.296 1.00 0.00 H new ATOM 1502 N SER A 98 -6.022 -32.560 -0.120 1.00 0.00 N ATOM 1503 CA SER A 98 -4.868 -32.587 0.766 1.00 0.00 C ATOM 1504 C SER A 98 -4.913 -31.409 1.735 1.00 0.00 C ATOM 1505 O SER A 98 -3.928 -31.111 2.412 1.00 0.00 O ATOM 1506 CB SER A 98 -3.577 -32.554 -0.057 1.00 0.00 C ATOM 1507 OG SER A 98 -3.578 -31.464 -0.967 1.00 0.00 O ATOM 0 H SER A 98 -5.864 -32.068 -1.000 1.00 0.00 H new ATOM 0 HA SER A 98 -4.891 -33.509 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.719 -32.474 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.468 -33.490 -0.606 1.00 0.00 H new ATOM 0 HG SER A 98 -2.742 -31.464 -1.479 1.00 0.00 H new ATOM 1513 N GLY A 99 -6.063 -30.739 1.782 1.00 0.00 N ATOM 1514 CA GLY A 99 -6.244 -29.607 2.669 1.00 0.00 C ATOM 1515 C GLY A 99 -6.005 -29.962 4.121 1.00 0.00 C ATOM 1516 O GLY A 99 -6.781 -30.701 4.729 1.00 0.00 O ATOM 0 H GLY A 99 -6.879 -30.966 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.562 -28.808 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.256 -29.219 2.555 1.00 0.00 H new ATOM 1520 N SER A 100 -4.926 -29.433 4.669 1.00 0.00 N ATOM 1521 CA SER A 100 -4.539 -29.707 6.036 1.00 0.00 C ATOM 1522 C SER A 100 -4.057 -28.414 6.679 1.00 0.00 C ATOM 1523 O SER A 100 -3.081 -27.827 6.167 1.00 0.00 O ATOM 1524 CB SER A 100 -3.442 -30.780 6.059 1.00 0.00 C ATOM 1525 OG SER A 100 -3.182 -31.247 7.372 1.00 0.00 O ATOM 1526 OXT SER A 100 -4.673 -27.964 7.666 1.00 0.00 O ATOM 0 H SER A 100 -4.295 -28.801 4.176 1.00 0.00 H new ATOM 0 HA SER A 100 -5.390 -30.085 6.602 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.741 -31.618 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.526 -30.371 5.632 1.00 0.00 H new ATOM 0 HG SER A 100 -2.479 -31.930 7.343 1.00 0.00 H new TER 1532 SER A 100