USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 919 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 97 MET CE :methyl -116:sc= -0.176 (180deg=-0.743) USER MOD Set 1.2: A 101 LYS NZ :NH3+ 163:sc= -0.46 (180deg=-0.999) USER MOD Set 2.1: A 59 MET CE :methyl 154:sc= -1.26 (180deg=-1.36) USER MOD Set 2.2: A 88 MET CE :methyl -114:sc= -0.18 (180deg=-0.235) USER MOD Set 2.3: A 90 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 92 ASN : amide:sc= -4.65! C(o=-4.6!,f=-6.2!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 4 SER OG : rot 30:sc= 0.0842 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 23 SER OG : rot -1:sc= 0.842! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0931 USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.0474 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-1.4) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -41:sc= -0.107 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.3) USER MOD Single : A 51 THR OG1 : rot 160:sc= 0.19 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.518 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -148:sc= -3.37 (180deg=-4.28!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.109) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0379 (180deg=-0.269) USER MOD Single : A 75 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.086) USER MOD Single : A 78 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.97) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.3) USER MOD Single : A 87 HIS : no HE2:sc= -0.0616 K(o=-0.062,f=-1.8) USER MOD Single : A 93 ASN : amide:sc= -0.583 K(o=-0.58,f=-2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 99 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.7) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.141 K(o=-0.14,f=-3!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.959 10.292 7.320 1.00 0.00 N ATOM 2 CA PRO A 1 -11.777 9.426 7.501 1.00 0.00 C ATOM 3 C PRO A 1 -11.554 8.512 6.298 1.00 0.00 C ATOM 4 O PRO A 1 -11.312 7.314 6.451 1.00 0.00 O ATOM 5 CB PRO A 1 -12.029 8.605 8.761 1.00 0.00 C ATOM 6 CG PRO A 1 -13.171 9.299 9.443 1.00 0.00 C ATOM 7 CD PRO A 1 -13.955 10.032 8.371 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.373 10.125 6.403 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.677 11.272 7.346 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.875 10.031 7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -12.281 7.573 8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.145 8.576 9.398 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -13.806 8.579 9.959 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.803 9.997 10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.782 9.428 7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.384 10.958 8.753 1.00 0.00 H new ATOM 17 N SER A 2 -11.640 9.084 5.102 1.00 0.00 N ATOM 18 CA SER A 2 -11.449 8.323 3.874 1.00 0.00 C ATOM 19 C SER A 2 -9.970 8.045 3.628 1.00 0.00 C ATOM 20 O SER A 2 -9.604 6.999 3.090 1.00 0.00 O ATOM 21 CB SER A 2 -12.041 9.078 2.683 1.00 0.00 C ATOM 22 OG SER A 2 -13.374 9.481 2.946 1.00 0.00 O ATOM 0 H SER A 2 -11.841 10.073 4.957 1.00 0.00 H new ATOM 0 HA SER A 2 -11.966 7.370 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.430 9.953 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.018 8.443 1.798 1.00 0.00 H new ATOM 0 HG SER A 2 -13.729 9.963 2.170 1.00 0.00 H new ATOM 28 N HIS A 3 -9.121 8.989 4.024 1.00 0.00 N ATOM 29 CA HIS A 3 -7.679 8.845 3.843 1.00 0.00 C ATOM 30 C HIS A 3 -7.077 7.920 4.895 1.00 0.00 C ATOM 31 O HIS A 3 -6.006 7.348 4.692 1.00 0.00 O ATOM 32 CB HIS A 3 -6.999 10.214 3.903 1.00 0.00 C ATOM 33 CG HIS A 3 -7.149 11.012 2.647 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.224 11.841 2.403 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.350 11.108 1.557 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.080 12.410 1.220 1.00 0.00 C ATOM 37 NE2 HIS A 3 -6.952 11.982 0.686 1.00 0.00 N ATOM 0 H HIS A 3 -9.405 9.860 4.471 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.509 8.400 2.862 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.415 10.781 4.736 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.938 10.075 4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.414 10.593 1.402 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.769 13.107 0.767 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.586 12.256 -0.226 1.00 0.00 H new ATOM 46 N SER A 4 -7.770 7.776 6.018 1.00 0.00 N ATOM 47 CA SER A 4 -7.301 6.919 7.101 1.00 0.00 C ATOM 48 C SER A 4 -8.329 5.847 7.435 1.00 0.00 C ATOM 49 O SER A 4 -9.503 6.141 7.662 1.00 0.00 O ATOM 50 CB SER A 4 -6.996 7.756 8.345 1.00 0.00 C ATOM 51 OG SER A 4 -8.147 8.459 8.782 1.00 0.00 O ATOM 0 H SER A 4 -8.659 8.241 6.203 1.00 0.00 H new ATOM 0 HA SER A 4 -6.387 6.426 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.637 7.108 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.196 8.463 8.124 1.00 0.00 H new ATOM 0 HG SER A 4 -8.950 7.949 8.547 1.00 0.00 H new ATOM 57 N GLY A 5 -7.877 4.598 7.468 1.00 0.00 N ATOM 58 CA GLY A 5 -8.760 3.491 7.778 1.00 0.00 C ATOM 59 C GLY A 5 -7.999 2.297 8.314 1.00 0.00 C ATOM 60 O GLY A 5 -6.804 2.154 8.060 1.00 0.00 O ATOM 0 H GLY A 5 -6.909 4.333 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.499 3.810 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.307 3.200 6.881 1.00 0.00 H new ATOM 64 N ALA A 6 -8.686 1.438 9.059 1.00 0.00 N ATOM 65 CA ALA A 6 -8.047 0.262 9.628 1.00 0.00 C ATOM 66 C ALA A 6 -7.696 -0.752 8.549 1.00 0.00 C ATOM 67 O ALA A 6 -8.476 -0.990 7.625 1.00 0.00 O ATOM 68 CB ALA A 6 -8.932 -0.380 10.678 1.00 0.00 C ATOM 0 H ALA A 6 -9.677 1.534 9.280 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.123 0.590 10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.432 -1.257 11.088 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.125 0.335 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.876 -0.680 10.224 1.00 0.00 H new ATOM 74 N ALA A 7 -6.518 -1.346 8.674 1.00 0.00 N ATOM 75 CA ALA A 7 -6.060 -2.339 7.710 1.00 0.00 C ATOM 76 C ALA A 7 -5.001 -3.264 8.304 1.00 0.00 C ATOM 77 O ALA A 7 -4.198 -2.849 9.139 1.00 0.00 O ATOM 78 CB ALA A 7 -5.516 -1.649 6.469 1.00 0.00 C ATOM 0 H ALA A 7 -5.862 -1.159 9.432 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.918 -2.954 7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.176 -2.399 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.301 -1.045 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.680 -1.007 6.747 1.00 0.00 H new ATOM 84 N ILE A 8 -5.003 -4.523 7.864 1.00 0.00 N ATOM 85 CA ILE A 8 -4.041 -5.507 8.346 1.00 0.00 C ATOM 86 C ILE A 8 -2.857 -5.633 7.400 1.00 0.00 C ATOM 87 O ILE A 8 -3.009 -5.578 6.180 1.00 0.00 O ATOM 88 CB ILE A 8 -4.676 -6.900 8.476 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.964 -6.833 9.279 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.709 -7.892 9.111 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.807 -8.065 9.099 1.00 0.00 C ATOM 0 H ILE A 8 -5.662 -4.883 7.174 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.710 -5.153 9.322 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.910 -7.250 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.726 -6.708 10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.535 -5.956 8.975 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.188 -8.868 9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.815 -7.975 8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.431 -7.544 10.106 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.717 -7.973 9.691 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.069 -8.176 8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.247 -8.940 9.428 1.00 0.00 H new ATOM 103 N PHE A 9 -1.683 -5.831 7.977 1.00 0.00 N ATOM 104 CA PHE A 9 -0.469 -6.001 7.198 1.00 0.00 C ATOM 105 C PHE A 9 0.450 -7.005 7.881 1.00 0.00 C ATOM 106 O PHE A 9 1.061 -6.708 8.905 1.00 0.00 O ATOM 107 CB PHE A 9 0.242 -4.663 7.009 1.00 0.00 C ATOM 108 CG PHE A 9 1.506 -4.767 6.206 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.485 -5.291 4.925 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.713 -4.344 6.734 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.649 -5.390 4.182 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.880 -4.440 5.999 1.00 0.00 C ATOM 113 CZ PHE A 9 3.847 -4.964 4.721 1.00 0.00 C ATOM 0 H PHE A 9 -1.546 -5.878 8.987 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.736 -6.383 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.436 -3.966 6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.475 -4.243 7.987 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.550 -5.626 4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.744 -3.934 7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.620 -5.799 3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.816 -4.106 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.757 -5.040 4.144 1.00 0.00 H new ATOM 123 N GLU A 10 0.529 -8.203 7.307 1.00 0.00 N ATOM 124 CA GLU A 10 1.359 -9.275 7.846 1.00 0.00 C ATOM 125 C GLU A 10 0.687 -9.947 9.044 1.00 0.00 C ATOM 126 O GLU A 10 1.307 -10.137 10.091 1.00 0.00 O ATOM 127 CB GLU A 10 2.739 -8.747 8.242 1.00 0.00 C ATOM 128 CG GLU A 10 3.418 -7.938 7.149 1.00 0.00 C ATOM 129 CD GLU A 10 4.828 -7.518 7.522 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.193 -7.653 8.709 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.565 -7.054 6.628 1.00 0.00 O ATOM 0 H GLU A 10 0.022 -8.456 6.459 1.00 0.00 H new ATOM 0 HA GLU A 10 1.483 -10.022 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.640 -8.127 9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.378 -9.589 8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.449 -8.527 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.823 -7.050 6.937 1.00 0.00 H new ATOM 138 N LYS A 11 -0.580 -10.329 8.873 1.00 0.00 N ATOM 139 CA LYS A 11 -1.333 -11.004 9.915 1.00 0.00 C ATOM 140 C LYS A 11 -1.512 -10.147 11.167 1.00 0.00 C ATOM 141 O LYS A 11 -1.946 -10.647 12.206 1.00 0.00 O ATOM 142 CB LYS A 11 -0.642 -12.314 10.255 1.00 0.00 C ATOM 143 CG LYS A 11 -1.021 -13.445 9.319 1.00 0.00 C ATOM 144 CD LYS A 11 -0.009 -14.577 9.369 1.00 0.00 C ATOM 145 CE LYS A 11 1.329 -14.154 8.784 1.00 0.00 C ATOM 146 NZ LYS A 11 1.968 -15.254 8.009 1.00 0.00 N ATOM 0 H LYS A 11 -1.104 -10.177 8.011 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.336 -11.196 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.438 -12.168 10.221 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.894 -12.596 11.277 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.006 -13.825 9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.093 -13.066 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.129 -14.898 10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.394 -15.435 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.185 -13.289 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.995 -13.842 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.878 -14.926 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.129 -16.070 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.344 -15.535 7.226 1.00 0.00 H new ATOM 160 N VAL A 12 -1.215 -8.856 11.064 1.00 0.00 N ATOM 161 CA VAL A 12 -1.385 -7.951 12.179 1.00 0.00 C ATOM 162 C VAL A 12 -2.290 -6.806 11.756 1.00 0.00 C ATOM 163 O VAL A 12 -2.178 -6.304 10.639 1.00 0.00 O ATOM 164 CB VAL A 12 -0.036 -7.404 12.689 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.249 -6.408 13.821 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.863 -8.545 13.139 1.00 0.00 C ATOM 0 H VAL A 12 -0.855 -8.419 10.216 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.839 -8.503 13.002 1.00 0.00 H new ATOM 0 HB VAL A 12 0.455 -6.882 11.868 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.716 -6.036 14.165 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.853 -5.574 13.463 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.763 -6.900 14.647 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.811 -8.142 13.496 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.377 -9.096 13.944 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.047 -9.216 12.300 1.00 0.00 H new ATOM 176 N SER A 13 -3.208 -6.416 12.627 1.00 0.00 N ATOM 177 CA SER A 13 -4.143 -5.348 12.300 1.00 0.00 C ATOM 178 C SER A 13 -3.750 -4.033 12.952 1.00 0.00 C ATOM 179 O SER A 13 -3.245 -3.998 14.075 1.00 0.00 O ATOM 180 CB SER A 13 -5.561 -5.736 12.722 1.00 0.00 C ATOM 181 OG SER A 13 -6.511 -4.802 12.239 1.00 0.00 O ATOM 0 H SER A 13 -3.326 -6.818 13.557 1.00 0.00 H new ATOM 0 HA SER A 13 -4.112 -5.207 11.220 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.798 -6.730 12.342 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.619 -5.789 13.809 1.00 0.00 H new ATOM 0 HG SER A 13 -7.409 -5.074 12.521 1.00 0.00 H new ATOM 187 N GLY A 14 -3.996 -2.953 12.227 1.00 0.00 N ATOM 188 CA GLY A 14 -3.683 -1.628 12.712 1.00 0.00 C ATOM 189 C GLY A 14 -4.381 -0.564 11.894 1.00 0.00 C ATOM 190 O GLY A 14 -5.108 -0.880 10.952 1.00 0.00 O ATOM 0 H GLY A 14 -4.414 -2.974 11.297 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.982 -1.541 13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.605 -1.470 12.674 1.00 0.00 H new ATOM 194 N ILE A 15 -4.170 0.696 12.244 1.00 0.00 N ATOM 195 CA ILE A 15 -4.797 1.790 11.520 1.00 0.00 C ATOM 196 C ILE A 15 -3.904 2.282 10.388 1.00 0.00 C ATOM 197 O ILE A 15 -2.724 2.570 10.587 1.00 0.00 O ATOM 198 CB ILE A 15 -5.159 2.954 12.463 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.232 2.481 13.458 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.624 4.170 11.669 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.528 3.267 13.407 1.00 0.00 C ATOM 0 H ILE A 15 -3.574 0.984 13.020 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.721 1.405 11.087 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.275 3.260 13.022 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.451 1.431 13.265 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.825 2.541 14.467 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.874 4.979 12.355 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.827 4.495 11.001 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.504 3.907 11.083 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.226 2.865 14.141 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.327 4.314 13.632 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.963 3.187 12.411 1.00 0.00 H new ATOM 213 N ILE A 16 -4.484 2.357 9.197 1.00 0.00 N ATOM 214 CA ILE A 16 -3.767 2.790 8.014 1.00 0.00 C ATOM 215 C ILE A 16 -4.102 4.242 7.676 1.00 0.00 C ATOM 216 O ILE A 16 -5.262 4.588 7.453 1.00 0.00 O ATOM 217 CB ILE A 16 -4.109 1.866 6.818 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.948 0.911 6.546 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.459 2.671 5.568 1.00 0.00 C ATOM 220 CD1 ILE A 16 -3.072 0.136 5.249 1.00 0.00 C ATOM 0 H ILE A 16 -5.462 2.119 9.028 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.698 2.727 8.216 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.991 1.282 7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.019 1.482 6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.872 0.205 7.373 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.693 1.990 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.323 3.303 5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.611 3.296 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.208 -0.518 5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.982 -0.464 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.116 0.833 4.412 1.00 0.00 H new ATOM 232 N ALA A 17 -3.074 5.083 7.632 1.00 0.00 N ATOM 233 CA ALA A 17 -3.251 6.493 7.314 1.00 0.00 C ATOM 234 C ALA A 17 -2.490 6.858 6.047 1.00 0.00 C ATOM 235 O ALA A 17 -1.400 6.347 5.798 1.00 0.00 O ATOM 236 CB ALA A 17 -2.793 7.359 8.479 1.00 0.00 C ATOM 0 H ALA A 17 -2.108 4.811 7.813 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.311 6.676 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.931 8.410 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.381 7.118 9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.739 7.170 8.681 1.00 0.00 H new ATOM 242 N ILE A 18 -3.069 7.745 5.246 1.00 0.00 N ATOM 243 CA ILE A 18 -2.443 8.172 4.006 1.00 0.00 C ATOM 244 C ILE A 18 -1.771 9.532 4.181 1.00 0.00 C ATOM 245 O ILE A 18 -2.435 10.540 4.417 1.00 0.00 O ATOM 246 CB ILE A 18 -3.482 8.232 2.859 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.425 6.946 2.033 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.264 9.447 1.969 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.626 6.756 1.132 1.00 0.00 C ATOM 0 H ILE A 18 -3.971 8.181 5.436 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.680 7.439 3.744 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.472 8.326 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.521 6.954 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.348 6.093 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.011 9.456 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.356 10.355 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.268 9.401 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.520 5.825 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.532 6.716 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.693 7.590 0.434 1.00 0.00 H new ATOM 261 N ASN A 19 -0.447 9.550 4.062 1.00 0.00 N ATOM 262 CA ASN A 19 0.312 10.785 4.207 1.00 0.00 C ATOM 263 C ASN A 19 0.676 11.358 2.842 1.00 0.00 C ATOM 264 O ASN A 19 1.512 10.806 2.128 1.00 0.00 O ATOM 265 CB ASN A 19 1.582 10.536 5.023 1.00 0.00 C ATOM 266 CG ASN A 19 2.357 11.811 5.290 1.00 0.00 C ATOM 267 OD1 ASN A 19 3.403 12.054 4.690 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.845 12.634 6.199 1.00 0.00 N ATOM 0 H ASN A 19 0.120 8.725 3.866 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.312 11.508 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.315 10.071 5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.220 9.831 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.322 13.507 6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.975 12.393 6.673 1.00 0.00 H new ATOM 275 N GLU A 20 0.045 12.471 2.492 1.00 0.00 N ATOM 276 CA GLU A 20 0.303 13.128 1.216 1.00 0.00 C ATOM 277 C GLU A 20 0.985 14.477 1.425 1.00 0.00 C ATOM 278 O GLU A 20 1.394 15.130 0.464 1.00 0.00 O ATOM 279 CB GLU A 20 -1.002 13.315 0.440 1.00 0.00 C ATOM 280 CG GLU A 20 -2.193 13.674 1.315 1.00 0.00 C ATOM 281 CD GLU A 20 -2.039 15.024 1.986 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.360 15.899 1.409 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.599 15.208 3.086 1.00 0.00 O ATOM 0 H GLU A 20 -0.650 12.939 3.074 1.00 0.00 H new ATOM 0 HA GLU A 20 0.972 12.491 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.861 14.098 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.226 12.396 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.098 13.676 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.323 12.906 2.078 1.00 0.00 H new ATOM 290 N ASP A 21 1.107 14.890 2.684 1.00 0.00 N ATOM 291 CA ASP A 21 1.741 16.159 3.014 1.00 0.00 C ATOM 292 C ASP A 21 3.190 16.189 2.544 1.00 0.00 C ATOM 293 O ASP A 21 3.780 17.260 2.397 1.00 0.00 O ATOM 294 CB ASP A 21 1.678 16.406 4.521 1.00 0.00 C ATOM 295 CG ASP A 21 2.151 17.796 4.901 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.335 18.739 4.830 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.335 17.942 5.267 1.00 0.00 O ATOM 0 H ASP A 21 0.774 14.363 3.491 1.00 0.00 H new ATOM 0 HA ASP A 21 1.197 16.950 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.654 16.267 4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.291 15.664 5.034 1.00 0.00 H new ATOM 302 N VAL A 22 3.762 15.014 2.307 1.00 0.00 N ATOM 303 CA VAL A 22 5.135 14.921 1.857 1.00 0.00 C ATOM 304 C VAL A 22 5.200 14.764 0.340 1.00 0.00 C ATOM 305 O VAL A 22 4.232 15.052 -0.365 1.00 0.00 O ATOM 306 CB VAL A 22 5.879 13.755 2.556 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.697 12.443 1.807 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.356 14.086 2.733 1.00 0.00 C ATOM 0 H VAL A 22 3.292 14.116 2.421 1.00 0.00 H new ATOM 0 HA VAL A 22 5.635 15.850 2.130 1.00 0.00 H new ATOM 0 HB VAL A 22 5.437 13.627 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.233 11.649 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.637 12.195 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.091 12.544 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.859 13.254 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.810 14.258 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.457 14.984 3.343 1.00 0.00 H new ATOM 318 N SER A 23 6.340 14.307 -0.154 1.00 0.00 N ATOM 319 CA SER A 23 6.527 14.110 -1.585 1.00 0.00 C ATOM 320 C SER A 23 7.768 13.263 -1.860 1.00 0.00 C ATOM 321 O SER A 23 8.891 13.694 -1.597 1.00 0.00 O ATOM 322 CB SER A 23 6.650 15.460 -2.294 1.00 0.00 C ATOM 323 OG SER A 23 7.965 15.978 -2.184 1.00 0.00 O ATOM 0 H SER A 23 7.151 14.065 0.415 1.00 0.00 H new ATOM 0 HA SER A 23 5.655 13.582 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.388 15.347 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.941 16.166 -1.863 1.00 0.00 H new ATOM 0 HG SER A 23 8.514 15.366 -1.651 1.00 0.00 H new ATOM 329 N PRO A 24 7.589 12.039 -2.393 1.00 0.00 N ATOM 330 CA PRO A 24 6.270 11.483 -2.722 1.00 0.00 C ATOM 331 C PRO A 24 5.485 11.072 -1.481 1.00 0.00 C ATOM 332 O PRO A 24 6.066 10.714 -0.456 1.00 0.00 O ATOM 333 CB PRO A 24 6.607 10.257 -3.569 1.00 0.00 C ATOM 334 CG PRO A 24 7.954 9.834 -3.094 1.00 0.00 C ATOM 335 CD PRO A 24 8.678 11.098 -2.717 1.00 0.00 C ATOM 0 HA PRO A 24 5.636 12.211 -3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.871 9.465 -3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.619 10.500 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.873 9.162 -2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.491 9.295 -3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.340 10.942 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.295 11.466 -3.537 1.00 0.00 H new ATOM 343 N ALA A 25 4.160 11.118 -1.583 1.00 0.00 N ATOM 344 CA ALA A 25 3.289 10.742 -0.472 1.00 0.00 C ATOM 345 C ALA A 25 3.627 9.340 0.028 1.00 0.00 C ATOM 346 O ALA A 25 4.430 8.635 -0.584 1.00 0.00 O ATOM 347 CB ALA A 25 1.831 10.808 -0.904 1.00 0.00 C ATOM 0 H ALA A 25 3.665 11.412 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 25 3.449 11.446 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.191 10.526 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.590 11.823 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.666 10.122 -1.735 1.00 0.00 H new ATOM 353 N GLU A 26 3.020 8.939 1.140 1.00 0.00 N ATOM 354 CA GLU A 26 3.274 7.618 1.707 1.00 0.00 C ATOM 355 C GLU A 26 2.107 7.143 2.568 1.00 0.00 C ATOM 356 O GLU A 26 1.407 7.947 3.185 1.00 0.00 O ATOM 357 CB GLU A 26 4.557 7.638 2.540 1.00 0.00 C ATOM 358 CG GLU A 26 5.799 7.987 1.737 1.00 0.00 C ATOM 359 CD GLU A 26 7.072 7.891 2.558 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.973 7.789 3.799 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.168 7.919 1.959 1.00 0.00 O ATOM 0 H GLU A 26 2.353 9.505 1.664 1.00 0.00 H new ATOM 0 HA GLU A 26 3.389 6.920 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.443 8.359 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.696 6.660 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.873 7.318 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.700 8.999 1.344 1.00 0.00 H new ATOM 368 N LEU A 27 1.910 5.828 2.608 1.00 0.00 N ATOM 369 CA LEU A 27 0.838 5.230 3.394 1.00 0.00 C ATOM 370 C LEU A 27 1.383 4.679 4.708 1.00 0.00 C ATOM 371 O LEU A 27 2.223 3.780 4.713 1.00 0.00 O ATOM 372 CB LEU A 27 0.159 4.112 2.600 1.00 0.00 C ATOM 373 CG LEU A 27 -0.811 3.237 3.399 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.180 3.890 3.466 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.904 1.850 2.785 1.00 0.00 C ATOM 0 H LEU A 27 2.484 5.154 2.101 1.00 0.00 H new ATOM 0 HA LEU A 27 0.102 6.003 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.383 4.559 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.931 3.472 2.172 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.431 3.135 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.858 3.256 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.096 4.862 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.570 4.022 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.597 1.241 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.262 1.930 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.081 1.383 2.790 1.00 0.00 H new ATOM 387 N THR A 28 0.912 5.231 5.819 1.00 0.00 N ATOM 388 CA THR A 28 1.351 4.820 7.124 1.00 0.00 C ATOM 389 C THR A 28 0.437 3.746 7.711 1.00 0.00 C ATOM 390 O THR A 28 -0.775 3.756 7.492 1.00 0.00 O ATOM 391 CB THR A 28 1.365 6.043 8.021 1.00 0.00 C ATOM 392 OG1 THR A 28 1.184 7.228 7.262 1.00 0.00 O ATOM 393 CG2 THR A 28 2.643 6.195 8.792 1.00 0.00 C ATOM 0 H THR A 28 0.215 5.976 5.829 1.00 0.00 H new ATOM 0 HA THR A 28 2.348 4.386 7.049 1.00 0.00 H new ATOM 0 HB THR A 28 0.545 5.894 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.195 8.004 7.860 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.589 7.089 9.414 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.792 5.321 9.425 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.478 6.287 8.098 1.00 0.00 H new ATOM 401 N TRP A 29 1.030 2.829 8.464 1.00 0.00 N ATOM 402 CA TRP A 29 0.294 1.751 9.098 1.00 0.00 C ATOM 403 C TRP A 29 0.722 1.589 10.550 1.00 0.00 C ATOM 404 O TRP A 29 1.840 1.159 10.832 1.00 0.00 O ATOM 405 CB TRP A 29 0.524 0.436 8.358 1.00 0.00 C ATOM 406 CG TRP A 29 -0.216 -0.707 8.977 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.547 -0.750 9.249 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.329 -1.956 9.417 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.875 -1.958 9.816 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.740 -2.714 9.930 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.612 -2.515 9.422 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.567 -3.993 10.440 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.780 -3.791 9.933 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.694 -4.517 10.434 1.00 0.00 C ATOM 0 H TRP A 29 2.033 2.814 8.650 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.765 2.005 9.062 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.211 0.548 7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.590 0.211 8.347 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.245 0.049 9.049 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.811 -2.244 10.104 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.455 -1.962 9.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.403 -4.556 10.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.765 -4.233 9.945 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.856 -5.511 10.824 1.00 0.00 H new ATOM 425 N ARG A 30 -0.174 1.914 11.469 1.00 0.00 N ATOM 426 CA ARG A 30 0.121 1.777 12.889 1.00 0.00 C ATOM 427 C ARG A 30 -0.616 0.572 13.459 1.00 0.00 C ATOM 428 O ARG A 30 -1.824 0.436 13.277 1.00 0.00 O ATOM 429 CB ARG A 30 -0.278 3.047 13.646 1.00 0.00 C ATOM 430 CG ARG A 30 0.627 4.234 13.362 1.00 0.00 C ATOM 431 CD ARG A 30 0.186 5.467 14.134 1.00 0.00 C ATOM 432 NE ARG A 30 0.450 5.341 15.566 1.00 0.00 N ATOM 433 CZ ARG A 30 0.494 6.372 16.405 1.00 0.00 C ATOM 434 NH1 ARG A 30 0.290 7.607 15.962 1.00 0.00 N ATOM 435 NH2 ARG A 30 0.740 6.169 17.693 1.00 0.00 N ATOM 0 H ARG A 30 -1.106 2.272 11.260 1.00 0.00 H new ATOM 0 HA ARG A 30 1.194 1.627 13.009 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.302 3.310 13.382 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.267 2.841 14.716 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.653 3.983 13.630 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.621 4.451 12.294 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.706 6.343 13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.880 5.632 13.975 1.00 0.00 H new ATOM 0 HE ARG A 30 0.610 4.407 15.944 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.098 7.769 14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.325 8.394 16.610 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.895 5.222 18.040 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.774 6.960 18.337 1.00 0.00 H new ATOM 449 N SER A 31 0.112 -0.308 14.142 1.00 0.00 N ATOM 450 CA SER A 31 -0.491 -1.498 14.717 1.00 0.00 C ATOM 451 C SER A 31 -1.552 -1.125 15.740 1.00 0.00 C ATOM 452 O SER A 31 -1.581 -0.001 16.242 1.00 0.00 O ATOM 453 CB SER A 31 0.581 -2.378 15.364 1.00 0.00 C ATOM 454 OG SER A 31 0.011 -3.275 16.303 1.00 0.00 O ATOM 0 H SER A 31 1.114 -0.217 14.308 1.00 0.00 H new ATOM 0 HA SER A 31 -0.970 -2.059 13.915 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.107 -2.941 14.593 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.320 -1.749 15.860 1.00 0.00 H new ATOM 0 HG SER A 31 0.718 -3.826 16.700 1.00 0.00 H new ATOM 460 N THR A 32 -2.417 -2.079 16.051 1.00 0.00 N ATOM 461 CA THR A 32 -3.474 -1.873 17.014 1.00 0.00 C ATOM 462 C THR A 32 -2.880 -1.521 18.370 1.00 0.00 C ATOM 463 O THR A 32 -3.461 -0.763 19.147 1.00 0.00 O ATOM 464 CB THR A 32 -4.299 -3.152 17.101 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.383 -3.119 16.189 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.858 -3.427 18.471 1.00 0.00 C ATOM 0 H THR A 32 -2.401 -3.013 15.641 1.00 0.00 H new ATOM 0 HA THR A 32 -4.114 -1.047 16.704 1.00 0.00 H new ATOM 0 HB THR A 32 -3.599 -3.951 16.855 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.070 -3.384 15.299 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.432 -4.353 18.451 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.040 -3.523 19.185 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.507 -2.604 18.771 1.00 0.00 H new ATOM 474 N ASP A 33 -1.716 -2.088 18.635 1.00 0.00 N ATOM 475 CA ASP A 33 -1.016 -1.860 19.891 1.00 0.00 C ATOM 476 C ASP A 33 -0.410 -0.464 19.932 1.00 0.00 C ATOM 477 O ASP A 33 -0.312 0.155 20.991 1.00 0.00 O ATOM 478 CB ASP A 33 0.075 -2.911 20.091 1.00 0.00 C ATOM 479 CG ASP A 33 -0.488 -4.310 20.237 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.699 -4.438 20.517 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.280 -5.282 20.071 1.00 0.00 O ATOM 0 H ASP A 33 -1.231 -2.715 17.993 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.741 -1.943 20.701 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.760 -2.885 19.244 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.657 -2.662 20.979 1.00 0.00 H new ATOM 486 N GLY A 34 0.000 0.018 18.769 1.00 0.00 N ATOM 487 CA GLY A 34 0.603 1.333 18.679 1.00 0.00 C ATOM 488 C GLY A 34 2.077 1.306 19.017 1.00 0.00 C ATOM 489 O GLY A 34 2.644 2.311 19.445 1.00 0.00 O ATOM 0 H GLY A 34 -0.074 -0.480 17.882 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.470 1.724 17.671 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.088 2.015 19.356 1.00 0.00 H new ATOM 493 N ASP A 35 2.695 0.148 18.823 1.00 0.00 N ATOM 494 CA ASP A 35 4.114 -0.018 19.107 1.00 0.00 C ATOM 495 C ASP A 35 4.920 -0.178 17.822 1.00 0.00 C ATOM 496 O ASP A 35 6.132 0.035 17.808 1.00 0.00 O ATOM 497 CB ASP A 35 4.335 -1.228 20.017 1.00 0.00 C ATOM 498 CG ASP A 35 3.736 -1.033 21.397 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.434 0.125 21.755 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.572 -2.038 22.120 1.00 0.00 O ATOM 0 H ASP A 35 2.235 -0.691 18.470 1.00 0.00 H new ATOM 0 HA ASP A 35 4.461 0.881 19.616 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.895 -2.112 19.555 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.404 -1.417 20.112 1.00 0.00 H new ATOM 505 N LYS A 36 4.240 -0.552 16.742 1.00 0.00 N ATOM 506 CA LYS A 36 4.896 -0.736 15.454 1.00 0.00 C ATOM 507 C LYS A 36 4.197 0.080 14.373 1.00 0.00 C ATOM 508 O LYS A 36 2.987 -0.029 14.185 1.00 0.00 O ATOM 509 CB LYS A 36 4.907 -2.217 15.069 1.00 0.00 C ATOM 510 CG LYS A 36 6.269 -2.872 15.218 1.00 0.00 C ATOM 511 CD LYS A 36 6.595 -3.159 16.675 1.00 0.00 C ATOM 512 CE LYS A 36 7.919 -3.891 16.816 1.00 0.00 C ATOM 513 NZ LYS A 36 9.033 -2.963 17.156 1.00 0.00 N ATOM 0 H LYS A 36 3.236 -0.733 16.734 1.00 0.00 H new ATOM 0 HA LYS A 36 5.925 -0.387 15.542 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.186 -2.751 15.689 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.575 -2.318 14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.290 -3.802 14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.034 -2.222 14.794 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.635 -2.222 17.231 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.798 -3.758 17.116 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.832 -4.653 17.591 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.149 -4.408 15.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.919 -3.501 17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.133 -2.251 16.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.826 -2.488 18.058 1.00 0.00 H new ATOM 527 N VAL A 37 4.970 0.900 13.669 1.00 0.00 N ATOM 528 CA VAL A 37 4.423 1.734 12.609 1.00 0.00 C ATOM 529 C VAL A 37 5.138 1.484 11.286 1.00 0.00 C ATOM 530 O VAL A 37 6.356 1.629 11.188 1.00 0.00 O ATOM 531 CB VAL A 37 4.529 3.231 12.961 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.799 4.077 11.931 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.982 3.488 14.357 1.00 0.00 C ATOM 0 H VAL A 37 5.974 1.004 13.814 1.00 0.00 H new ATOM 0 HA VAL A 37 3.372 1.465 12.507 1.00 0.00 H new ATOM 0 HB VAL A 37 5.581 3.515 12.948 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.886 5.130 12.198 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.240 3.914 10.948 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.747 3.794 11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.064 4.550 14.590 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.935 3.187 14.399 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.554 2.912 15.084 1.00 0.00 H new ATOM 543 N HIS A 38 4.368 1.106 10.271 1.00 0.00 N ATOM 544 CA HIS A 38 4.924 0.835 8.950 1.00 0.00 C ATOM 545 C HIS A 38 4.529 1.918 7.960 1.00 0.00 C ATOM 546 O HIS A 38 3.412 2.428 7.989 1.00 0.00 O ATOM 547 CB HIS A 38 4.464 -0.522 8.427 1.00 0.00 C ATOM 548 CG HIS A 38 5.220 -0.988 7.223 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.946 -2.161 7.196 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.355 -0.438 5.993 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.494 -2.310 6.003 1.00 0.00 C ATOM 552 NE2 HIS A 38 6.152 -1.278 5.255 1.00 0.00 N ATOM 0 H HIS A 38 3.358 0.980 10.338 1.00 0.00 H new ATOM 0 HA HIS A 38 6.009 0.825 9.052 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.569 -1.262 9.220 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.404 -0.467 8.181 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.917 0.490 5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.116 -3.136 5.693 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.434 -1.129 4.286 1.00 0.00 H new ATOM 561 N THR A 39 5.455 2.261 7.086 1.00 0.00 N ATOM 562 CA THR A 39 5.214 3.284 6.075 1.00 0.00 C ATOM 563 C THR A 39 5.432 2.722 4.675 1.00 0.00 C ATOM 564 O THR A 39 6.415 2.027 4.420 1.00 0.00 O ATOM 565 CB THR A 39 6.135 4.484 6.305 1.00 0.00 C ATOM 566 OG1 THR A 39 6.033 4.946 7.640 1.00 0.00 O ATOM 567 CG2 THR A 39 5.835 5.652 5.391 1.00 0.00 C ATOM 0 H THR A 39 6.387 1.847 7.052 1.00 0.00 H new ATOM 0 HA THR A 39 4.177 3.610 6.160 1.00 0.00 H new ATOM 0 HB THR A 39 7.140 4.122 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.631 5.712 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.524 6.469 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.954 5.342 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.811 5.988 5.554 1.00 0.00 H new ATOM 575 N VAL A 40 4.506 3.025 3.770 1.00 0.00 N ATOM 576 CA VAL A 40 4.595 2.545 2.396 1.00 0.00 C ATOM 577 C VAL A 40 4.710 3.701 1.410 1.00 0.00 C ATOM 578 O VAL A 40 4.133 4.768 1.619 1.00 0.00 O ATOM 579 CB VAL A 40 3.371 1.690 2.018 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.573 1.038 0.659 1.00 0.00 C ATOM 581 CG2 VAL A 40 3.098 0.642 3.086 1.00 0.00 C ATOM 0 H VAL A 40 3.686 3.600 3.964 1.00 0.00 H new ATOM 0 HA VAL A 40 5.494 1.931 2.339 1.00 0.00 H new ATOM 0 HB VAL A 40 2.501 2.344 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.698 0.438 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.712 1.810 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.455 0.398 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.230 0.049 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.966 -0.010 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.903 1.135 4.038 1.00 0.00 H new ATOM 591 N VAL A 41 5.453 3.478 0.331 1.00 0.00 N ATOM 592 CA VAL A 41 5.638 4.499 -0.693 1.00 0.00 C ATOM 593 C VAL A 41 4.593 4.353 -1.793 1.00 0.00 C ATOM 594 O VAL A 41 4.478 3.298 -2.419 1.00 0.00 O ATOM 595 CB VAL A 41 7.043 4.423 -1.318 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.278 5.600 -2.251 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.107 4.371 -0.233 1.00 0.00 C ATOM 0 H VAL A 41 5.936 2.600 0.143 1.00 0.00 H new ATOM 0 HA VAL A 41 5.523 5.467 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 41 7.111 3.507 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.276 5.528 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.536 5.586 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.191 6.531 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.094 4.318 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.042 5.268 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.949 3.490 0.390 1.00 0.00 H new ATOM 607 N LEU A 42 3.827 5.414 -2.019 1.00 0.00 N ATOM 608 CA LEU A 42 2.783 5.402 -3.038 1.00 0.00 C ATOM 609 C LEU A 42 3.339 5.765 -4.414 1.00 0.00 C ATOM 610 O LEU A 42 2.663 5.593 -5.428 1.00 0.00 O ATOM 611 CB LEU A 42 1.662 6.367 -2.652 1.00 0.00 C ATOM 612 CG LEU A 42 1.255 6.331 -1.176 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.025 7.194 -0.941 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.001 4.901 -0.724 1.00 0.00 C ATOM 0 H LEU A 42 3.909 6.294 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 42 2.383 4.390 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.974 7.381 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.786 6.144 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 42 2.076 6.735 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.250 7.156 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.244 8.224 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.802 6.821 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.713 4.897 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.199 4.468 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.909 4.312 -0.854 1.00 0.00 H new ATOM 626 N SER A 43 4.573 6.262 -4.450 1.00 0.00 N ATOM 627 CA SER A 43 5.206 6.636 -5.707 1.00 0.00 C ATOM 628 C SER A 43 5.757 5.408 -6.420 1.00 0.00 C ATOM 629 O SER A 43 5.898 5.400 -7.643 1.00 0.00 O ATOM 630 CB SER A 43 6.331 7.645 -5.457 1.00 0.00 C ATOM 631 OG SER A 43 7.204 7.724 -6.571 1.00 0.00 O ATOM 0 H SER A 43 5.151 6.414 -3.624 1.00 0.00 H new ATOM 0 HA SER A 43 4.451 7.097 -6.344 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.904 8.627 -5.256 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.894 7.354 -4.570 1.00 0.00 H new ATOM 0 HG SER A 43 7.912 8.376 -6.386 1.00 0.00 H new ATOM 637 N THR A 44 6.063 4.371 -5.649 1.00 0.00 N ATOM 638 CA THR A 44 6.595 3.137 -6.210 1.00 0.00 C ATOM 639 C THR A 44 5.478 2.133 -6.491 1.00 0.00 C ATOM 640 O THR A 44 5.737 0.945 -6.687 1.00 0.00 O ATOM 641 CB THR A 44 7.625 2.522 -5.261 1.00 0.00 C ATOM 642 OG1 THR A 44 8.246 1.396 -5.857 1.00 0.00 O ATOM 643 CG2 THR A 44 7.033 2.074 -3.942 1.00 0.00 C ATOM 0 H THR A 44 5.952 4.361 -4.635 1.00 0.00 H new ATOM 0 HA THR A 44 7.081 3.380 -7.155 1.00 0.00 H new ATOM 0 HB THR A 44 8.347 3.315 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.575 0.870 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.818 1.648 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.589 2.930 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.266 1.322 -4.124 1.00 0.00 H new ATOM 651 N ILE A 45 4.238 2.614 -6.511 1.00 0.00 N ATOM 652 CA ILE A 45 3.088 1.755 -6.770 1.00 0.00 C ATOM 653 C ILE A 45 2.643 1.857 -8.222 1.00 0.00 C ATOM 654 O ILE A 45 1.880 2.754 -8.587 1.00 0.00 O ATOM 655 CB ILE A 45 1.903 2.111 -5.852 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.358 2.174 -4.393 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.780 1.099 -6.019 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.007 0.898 -3.906 1.00 0.00 C ATOM 0 H ILE A 45 4.005 3.594 -6.351 1.00 0.00 H new ATOM 0 HA ILE A 45 3.403 0.732 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 45 1.526 3.093 -6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.062 2.998 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.498 2.398 -3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.050 1.365 -5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.440 1.101 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.144 0.105 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.304 1.016 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.298 0.074 -3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.887 0.683 -4.512 1.00 0.00 H new ATOM 670 N ASP A 46 3.120 0.931 -9.045 1.00 0.00 N ATOM 671 CA ASP A 46 2.767 0.915 -10.458 1.00 0.00 C ATOM 672 C ASP A 46 1.260 0.777 -10.635 1.00 0.00 C ATOM 673 O ASP A 46 0.688 1.289 -11.596 1.00 0.00 O ATOM 674 CB ASP A 46 3.484 -0.234 -11.171 1.00 0.00 C ATOM 675 CG ASP A 46 3.306 -0.181 -12.676 1.00 0.00 C ATOM 676 OD1 ASP A 46 4.072 0.549 -13.339 1.00 0.00 O ATOM 677 OD2 ASP A 46 2.401 -0.871 -13.191 1.00 0.00 O ATOM 0 H ASP A 46 3.751 0.183 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 46 3.084 1.860 -10.900 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.547 -0.199 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.104 -1.184 -10.796 1.00 0.00 H new ATOM 682 N LYS A 47 0.621 0.082 -9.696 1.00 0.00 N ATOM 683 CA LYS A 47 -0.823 -0.124 -9.747 1.00 0.00 C ATOM 684 C LYS A 47 -1.356 -0.578 -8.393 1.00 0.00 C ATOM 685 O LYS A 47 -0.587 -0.888 -7.483 1.00 0.00 O ATOM 686 CB LYS A 47 -1.179 -1.161 -10.816 1.00 0.00 C ATOM 687 CG LYS A 47 -1.144 -0.616 -12.234 1.00 0.00 C ATOM 688 CD LYS A 47 -1.908 -1.512 -13.194 1.00 0.00 C ATOM 689 CE LYS A 47 -1.213 -2.851 -13.379 1.00 0.00 C ATOM 690 NZ LYS A 47 -2.182 -3.946 -13.659 1.00 0.00 N ATOM 0 H LYS A 47 1.080 -0.347 -8.893 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.288 0.828 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.486 -1.999 -10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.175 -1.553 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.573 0.386 -12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.109 -0.525 -12.565 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.918 -1.674 -12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.004 -1.015 -14.159 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.499 -2.779 -14.200 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.643 -3.091 -12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.668 -4.842 -13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.848 -4.032 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.708 -3.730 -14.530 1.00 0.00 H new ATOM 704 N LEU A 48 -2.680 -0.618 -8.269 1.00 0.00 N ATOM 705 CA LEU A 48 -3.320 -1.038 -7.029 1.00 0.00 C ATOM 706 C LEU A 48 -4.336 -2.145 -7.294 1.00 0.00 C ATOM 707 O LEU A 48 -5.338 -1.930 -7.977 1.00 0.00 O ATOM 708 CB LEU A 48 -4.006 0.151 -6.354 1.00 0.00 C ATOM 709 CG LEU A 48 -5.099 0.824 -7.186 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.468 0.282 -6.809 1.00 0.00 C ATOM 711 CD2 LEU A 48 -5.054 2.335 -7.002 1.00 0.00 C ATOM 0 H LEU A 48 -3.330 -0.364 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.549 -1.426 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.442 -0.186 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.249 0.895 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.919 0.599 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.232 0.773 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.497 -0.792 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.658 0.476 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.838 2.798 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.209 2.578 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.083 2.712 -7.322 1.00 0.00 H new ATOM 723 N GLN A 49 -4.070 -3.328 -6.754 1.00 0.00 N ATOM 724 CA GLN A 49 -4.960 -4.470 -6.934 1.00 0.00 C ATOM 725 C GLN A 49 -5.794 -4.714 -5.681 1.00 0.00 C ATOM 726 O GLN A 49 -5.332 -4.489 -4.562 1.00 0.00 O ATOM 727 CB GLN A 49 -4.154 -5.722 -7.279 1.00 0.00 C ATOM 728 CG GLN A 49 -3.399 -5.618 -8.594 1.00 0.00 C ATOM 729 CD GLN A 49 -2.576 -6.854 -8.893 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.331 -7.680 -8.014 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.143 -6.989 -10.142 1.00 0.00 N ATOM 0 H GLN A 49 -3.245 -3.522 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.637 -4.245 -7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.443 -5.919 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.829 -6.577 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.109 -5.454 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.743 -4.748 -8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.369 -6.280 -10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.584 -7.802 -10.403 1.00 0.00 H new ATOM 740 N ALA A 50 -7.022 -5.182 -5.877 1.00 0.00 N ATOM 741 CA ALA A 50 -7.921 -5.461 -4.763 1.00 0.00 C ATOM 742 C ALA A 50 -8.737 -6.721 -5.020 1.00 0.00 C ATOM 743 O ALA A 50 -8.914 -7.136 -6.166 1.00 0.00 O ATOM 744 CB ALA A 50 -8.841 -4.274 -4.519 1.00 0.00 C ATOM 0 H ALA A 50 -7.418 -5.376 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.316 -5.627 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.507 -4.495 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.244 -3.393 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.432 -4.082 -5.414 1.00 0.00 H new ATOM 750 N THR A 51 -9.236 -7.329 -3.948 1.00 0.00 N ATOM 751 CA THR A 51 -10.034 -8.544 -4.060 1.00 0.00 C ATOM 752 C THR A 51 -11.399 -8.241 -4.673 1.00 0.00 C ATOM 753 O THR A 51 -11.944 -7.152 -4.492 1.00 0.00 O ATOM 754 CB THR A 51 -10.212 -9.195 -2.687 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.902 -8.326 -1.805 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.901 -9.572 -2.030 1.00 0.00 C ATOM 0 H THR A 51 -9.101 -7.000 -2.992 1.00 0.00 H new ATOM 0 HA THR A 51 -9.505 -9.237 -4.714 1.00 0.00 H new ATOM 0 HB THR A 51 -10.783 -10.105 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.291 -8.846 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.098 -10.029 -1.060 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.367 -10.281 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.292 -8.678 -1.893 1.00 0.00 H new ATOM 764 N PRO A 52 -11.973 -9.208 -5.413 1.00 0.00 N ATOM 765 CA PRO A 52 -13.279 -9.040 -6.057 1.00 0.00 C ATOM 766 C PRO A 52 -14.422 -8.989 -5.048 1.00 0.00 C ATOM 767 O PRO A 52 -14.271 -9.409 -3.900 1.00 0.00 O ATOM 768 CB PRO A 52 -13.403 -10.284 -6.942 1.00 0.00 C ATOM 769 CG PRO A 52 -12.532 -11.300 -6.291 1.00 0.00 C ATOM 770 CD PRO A 52 -11.391 -10.537 -5.679 1.00 0.00 C ATOM 0 HA PRO A 52 -13.343 -8.101 -6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.436 -10.627 -7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.077 -10.078 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.082 -11.856 -5.531 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.170 -12.027 -7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.036 -11.011 -4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.540 -10.475 -6.357 1.00 0.00 H new ATOM 778 N ALA A 53 -15.566 -8.473 -5.486 1.00 0.00 N ATOM 779 CA ALA A 53 -16.739 -8.367 -4.625 1.00 0.00 C ATOM 780 C ALA A 53 -17.315 -9.742 -4.291 1.00 0.00 C ATOM 781 O ALA A 53 -18.156 -9.870 -3.401 1.00 0.00 O ATOM 782 CB ALA A 53 -17.798 -7.496 -5.285 1.00 0.00 C ATOM 0 H ALA A 53 -15.706 -8.121 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.427 -7.902 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.668 -7.424 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.392 -6.499 -5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.093 -7.939 -6.236 1.00 0.00 H new ATOM 788 N SER A 54 -16.864 -10.767 -5.010 1.00 0.00 N ATOM 789 CA SER A 54 -17.341 -12.128 -4.783 1.00 0.00 C ATOM 790 C SER A 54 -16.488 -12.852 -3.742 1.00 0.00 C ATOM 791 O SER A 54 -16.742 -14.014 -3.422 1.00 0.00 O ATOM 792 CB SER A 54 -17.332 -12.913 -6.095 1.00 0.00 C ATOM 793 OG SER A 54 -18.274 -12.386 -7.013 1.00 0.00 O ATOM 0 H SER A 54 -16.170 -10.681 -5.753 1.00 0.00 H new ATOM 0 HA SER A 54 -18.361 -12.065 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.335 -12.881 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.560 -13.960 -5.897 1.00 0.00 H new ATOM 0 HG SER A 54 -18.247 -12.905 -7.844 1.00 0.00 H new ATOM 799 N SER A 55 -15.480 -12.163 -3.214 1.00 0.00 N ATOM 800 CA SER A 55 -14.600 -12.744 -2.211 1.00 0.00 C ATOM 801 C SER A 55 -14.885 -12.152 -0.840 1.00 0.00 C ATOM 802 O SER A 55 -14.645 -10.968 -0.601 1.00 0.00 O ATOM 803 CB SER A 55 -13.136 -12.510 -2.588 1.00 0.00 C ATOM 804 OG SER A 55 -12.770 -13.284 -3.717 1.00 0.00 O ATOM 0 H SER A 55 -15.254 -11.201 -3.466 1.00 0.00 H new ATOM 0 HA SER A 55 -14.788 -13.817 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.977 -11.453 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.495 -12.766 -1.745 1.00 0.00 H new ATOM 0 HG SER A 55 -11.830 -13.115 -3.939 1.00 0.00 H new ATOM 810 N GLU A 56 -15.392 -12.983 0.063 1.00 0.00 N ATOM 811 CA GLU A 56 -15.702 -12.544 1.416 1.00 0.00 C ATOM 812 C GLU A 56 -14.459 -11.983 2.102 1.00 0.00 C ATOM 813 O GLU A 56 -14.559 -11.257 3.090 1.00 0.00 O ATOM 814 CB GLU A 56 -16.269 -13.703 2.235 1.00 0.00 C ATOM 815 CG GLU A 56 -17.575 -14.255 1.686 1.00 0.00 C ATOM 816 CD GLU A 56 -18.153 -15.357 2.552 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.437 -15.847 3.450 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.324 -15.732 2.331 1.00 0.00 O ATOM 0 H GLU A 56 -15.597 -13.966 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.450 -11.754 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.532 -14.505 2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.428 -13.369 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.300 -13.446 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.408 -14.639 0.680 1.00 0.00 H new ATOM 825 N LYS A 57 -13.290 -12.325 1.568 1.00 0.00 N ATOM 826 CA LYS A 57 -12.030 -11.855 2.128 1.00 0.00 C ATOM 827 C LYS A 57 -11.623 -10.522 1.509 1.00 0.00 C ATOM 828 O LYS A 57 -11.359 -10.439 0.309 1.00 0.00 O ATOM 829 CB LYS A 57 -10.928 -12.893 1.903 1.00 0.00 C ATOM 830 CG LYS A 57 -11.166 -14.202 2.637 1.00 0.00 C ATOM 831 CD LYS A 57 -10.025 -15.182 2.414 1.00 0.00 C ATOM 832 CE LYS A 57 -8.754 -14.724 3.111 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.021 -15.860 3.731 1.00 0.00 N ATOM 0 H LYS A 57 -13.191 -12.925 0.749 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.169 -11.710 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.843 -13.095 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.975 -12.474 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.276 -14.007 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.101 -14.647 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.311 -16.166 2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.838 -15.287 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.106 -14.223 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.005 -13.992 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.161 -15.506 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.630 -16.323 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.759 -16.547 2.995 1.00 0.00 H new ATOM 847 N MET A 58 -11.572 -9.482 2.335 1.00 0.00 N ATOM 848 CA MET A 58 -11.196 -8.152 1.869 1.00 0.00 C ATOM 849 C MET A 58 -9.691 -7.940 1.993 1.00 0.00 C ATOM 850 O MET A 58 -9.144 -7.937 3.096 1.00 0.00 O ATOM 851 CB MET A 58 -11.942 -7.082 2.666 1.00 0.00 C ATOM 852 CG MET A 58 -13.437 -7.052 2.393 1.00 0.00 C ATOM 853 SD MET A 58 -14.351 -8.226 3.412 1.00 0.00 S ATOM 854 CE MET A 58 -15.560 -7.143 4.173 1.00 0.00 C ATOM 0 H MET A 58 -11.786 -9.535 3.331 1.00 0.00 H new ATOM 0 HA MET A 58 -11.471 -8.069 0.818 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.779 -7.253 3.730 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.519 -6.105 2.432 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.816 -6.046 2.575 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.615 -7.274 1.341 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.800 -7.510 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.151 -6.135 4.245 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.465 -7.125 3.566 1.00 0.00 H new ATOM 864 N MET A 59 -9.026 -7.767 0.856 1.00 0.00 N ATOM 865 CA MET A 59 -7.583 -7.558 0.840 1.00 0.00 C ATOM 866 C MET A 59 -7.165 -6.717 -0.363 1.00 0.00 C ATOM 867 O MET A 59 -7.593 -6.972 -1.489 1.00 0.00 O ATOM 868 CB MET A 59 -6.856 -8.904 0.809 1.00 0.00 C ATOM 869 CG MET A 59 -7.294 -9.857 1.909 1.00 0.00 C ATOM 870 SD MET A 59 -6.288 -11.353 1.972 1.00 0.00 S ATOM 871 CE MET A 59 -4.756 -10.702 2.634 1.00 0.00 C ATOM 0 H MET A 59 -9.463 -7.767 -0.066 1.00 0.00 H new ATOM 0 HA MET A 59 -7.309 -7.021 1.748 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.025 -9.377 -0.159 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.783 -8.730 0.896 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.239 -9.346 2.870 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.337 -10.131 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.218 -11.495 3.154 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.141 -10.320 1.819 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.975 -9.894 3.332 1.00 0.00 H new ATOM 881 N LEU A 60 -6.325 -5.716 -0.119 1.00 0.00 N ATOM 882 CA LEU A 60 -5.848 -4.843 -1.185 1.00 0.00 C ATOM 883 C LEU A 60 -4.340 -4.994 -1.373 1.00 0.00 C ATOM 884 O LEU A 60 -3.563 -4.749 -0.451 1.00 0.00 O ATOM 885 CB LEU A 60 -6.193 -3.385 -0.873 1.00 0.00 C ATOM 886 CG LEU A 60 -7.475 -2.869 -1.532 1.00 0.00 C ATOM 887 CD1 LEU A 60 -8.154 -1.840 -0.644 1.00 0.00 C ATOM 888 CD2 LEU A 60 -7.167 -2.278 -2.899 1.00 0.00 C ATOM 0 H LEU A 60 -5.961 -5.490 0.807 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.344 -5.134 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.287 -3.273 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.361 -2.755 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.158 -3.708 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.063 -1.485 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.407 -2.296 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.479 -1.000 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.088 -1.916 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.467 -1.450 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.725 -3.044 -3.535 1.00 0.00 H new ATOM 900 N ARG A 61 -3.936 -5.404 -2.572 1.00 0.00 N ATOM 901 CA ARG A 61 -2.523 -5.592 -2.879 1.00 0.00 C ATOM 902 C ARG A 61 -2.000 -4.463 -3.761 1.00 0.00 C ATOM 903 O ARG A 61 -2.668 -4.035 -4.700 1.00 0.00 O ATOM 904 CB ARG A 61 -2.306 -6.938 -3.572 1.00 0.00 C ATOM 905 CG ARG A 61 -0.842 -7.277 -3.798 1.00 0.00 C ATOM 906 CD ARG A 61 -0.684 -8.568 -4.583 1.00 0.00 C ATOM 907 NE ARG A 61 -1.286 -9.706 -3.892 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.283 -10.950 -4.369 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.710 -11.218 -5.536 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.853 -11.926 -3.676 1.00 0.00 N ATOM 0 H ARG A 61 -4.567 -5.612 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.969 -5.580 -1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.764 -7.724 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.821 -6.930 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.357 -6.462 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.336 -7.370 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.145 -8.454 -5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.375 -8.764 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.735 -9.538 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.269 -10.470 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.710 -12.172 -5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.293 -11.724 -2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.851 -12.879 -4.040 1.00 0.00 H new ATOM 924 N LEU A 62 -0.798 -3.991 -3.450 1.00 0.00 N ATOM 925 CA LEU A 62 -0.179 -2.914 -4.214 1.00 0.00 C ATOM 926 C LEU A 62 1.108 -3.390 -4.877 1.00 0.00 C ATOM 927 O LEU A 62 1.991 -3.942 -4.220 1.00 0.00 O ATOM 928 CB LEU A 62 0.108 -1.716 -3.304 1.00 0.00 C ATOM 929 CG LEU A 62 -0.759 -0.484 -3.569 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.194 -0.737 -3.133 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.189 0.732 -2.855 1.00 0.00 C ATOM 0 H LEU A 62 -0.233 -4.337 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.874 -2.607 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.031 -2.024 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.155 -1.436 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.757 -0.285 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.796 0.150 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.600 -1.581 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.216 -0.962 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.818 1.599 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.161 0.544 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.821 0.926 -3.216 1.00 0.00 H new ATOM 943 N ILE A 63 1.207 -3.173 -6.184 1.00 0.00 N ATOM 944 CA ILE A 63 2.386 -3.581 -6.938 1.00 0.00 C ATOM 945 C ILE A 63 3.507 -2.559 -6.794 1.00 0.00 C ATOM 946 O ILE A 63 3.353 -1.398 -7.173 1.00 0.00 O ATOM 947 CB ILE A 63 2.064 -3.766 -8.433 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.808 -4.623 -8.606 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.245 -4.395 -9.156 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.899 -5.974 -7.929 1.00 0.00 C ATOM 0 H ILE A 63 0.485 -2.717 -6.743 1.00 0.00 H new ATOM 0 HA ILE A 63 2.711 -4.536 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 63 1.875 -2.786 -8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.049 -4.082 -8.205 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.623 -4.771 -9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.002 -4.519 -10.211 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.117 -3.749 -9.058 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.464 -5.369 -8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.026 -6.526 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.735 -6.535 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.053 -5.835 -6.859 1.00 0.00 H new ATOM 962 N GLY A 64 4.636 -2.998 -6.246 1.00 0.00 N ATOM 963 CA GLY A 64 5.766 -2.107 -6.061 1.00 0.00 C ATOM 964 C GLY A 64 6.695 -2.088 -7.259 1.00 0.00 C ATOM 965 O GLY A 64 7.908 -2.229 -7.114 1.00 0.00 O ATOM 0 H GLY A 64 4.788 -3.955 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.401 -1.097 -5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.325 -2.414 -5.177 1.00 0.00 H new ATOM 969 N LYS A 65 6.124 -1.909 -8.447 1.00 0.00 N ATOM 970 CA LYS A 65 6.906 -1.868 -9.679 1.00 0.00 C ATOM 971 C LYS A 65 7.853 -3.061 -9.772 1.00 0.00 C ATOM 972 O LYS A 65 7.848 -3.942 -8.912 1.00 0.00 O ATOM 973 CB LYS A 65 7.699 -0.563 -9.752 1.00 0.00 C ATOM 974 CG LYS A 65 7.001 0.528 -10.549 1.00 0.00 C ATOM 975 CD LYS A 65 7.845 1.789 -10.626 1.00 0.00 C ATOM 976 CE LYS A 65 7.104 2.912 -11.331 1.00 0.00 C ATOM 977 NZ LYS A 65 8.037 3.938 -11.875 1.00 0.00 N ATOM 0 H LYS A 65 5.120 -1.790 -8.583 1.00 0.00 H new ATOM 0 HA LYS A 65 6.215 -1.918 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.882 -0.202 -8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.672 -0.763 -10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.792 0.167 -11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.041 0.759 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.118 2.107 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.773 1.575 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.506 2.498 -12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.412 3.384 -10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.492 4.687 -12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.590 4.351 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.681 3.493 -12.560 1.00 0.00 H new ATOM 991 N VAL A 66 8.666 -3.082 -10.823 1.00 0.00 N ATOM 992 CA VAL A 66 9.620 -4.166 -11.030 1.00 0.00 C ATOM 993 C VAL A 66 11.049 -3.699 -10.769 1.00 0.00 C ATOM 994 O VAL A 66 11.687 -4.129 -9.808 1.00 0.00 O ATOM 995 CB VAL A 66 9.529 -4.730 -12.460 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.422 -5.952 -12.613 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.088 -5.067 -12.810 1.00 0.00 C ATOM 0 H VAL A 66 8.684 -2.361 -11.544 1.00 0.00 H new ATOM 0 HA VAL A 66 9.363 -4.953 -10.321 1.00 0.00 H new ATOM 0 HB VAL A 66 9.879 -3.966 -13.154 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.343 -6.335 -13.630 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.456 -5.675 -12.409 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.107 -6.723 -11.910 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.043 -5.464 -13.824 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.709 -5.813 -12.111 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.478 -4.166 -12.746 1.00 0.00 H new ATOM 1007 N ASP A 67 11.544 -2.819 -11.632 1.00 0.00 N ATOM 1008 CA ASP A 67 12.899 -2.295 -11.495 1.00 0.00 C ATOM 1009 C ASP A 67 12.956 -1.204 -10.431 1.00 0.00 C ATOM 1010 O ASP A 67 12.184 -0.247 -10.465 1.00 0.00 O ATOM 1011 CB ASP A 67 13.392 -1.741 -12.834 1.00 0.00 C ATOM 1012 CG ASP A 67 13.537 -2.823 -13.888 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.573 -4.015 -13.515 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.617 -2.478 -15.085 1.00 0.00 O ATOM 0 H ASP A 67 11.029 -2.454 -12.433 1.00 0.00 H new ATOM 0 HA ASP A 67 13.548 -3.114 -11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.695 -0.982 -13.189 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.353 -1.248 -12.689 1.00 0.00 H new ATOM 1019 N GLU A 68 13.880 -1.355 -9.487 1.00 0.00 N ATOM 1020 CA GLU A 68 14.042 -0.382 -8.413 1.00 0.00 C ATOM 1021 C GLU A 68 15.499 -0.288 -7.977 1.00 0.00 C ATOM 1022 O GLU A 68 15.797 -0.157 -6.789 1.00 0.00 O ATOM 1023 CB GLU A 68 13.163 -0.758 -7.218 1.00 0.00 C ATOM 1024 CG GLU A 68 11.673 -0.664 -7.504 1.00 0.00 C ATOM 1025 CD GLU A 68 10.825 -0.972 -6.285 1.00 0.00 C ATOM 1026 OE1 GLU A 68 11.362 -1.556 -5.320 1.00 0.00 O ATOM 1027 OE2 GLU A 68 9.624 -0.627 -6.295 1.00 0.00 O ATOM 0 H GLU A 68 14.528 -2.142 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 68 13.732 0.592 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.401 -1.776 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.405 -0.105 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.438 0.338 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.416 -1.357 -8.305 1.00 0.00 H new ATOM 1034 N SER A 69 16.405 -0.354 -8.947 1.00 0.00 N ATOM 1035 CA SER A 69 17.834 -0.276 -8.666 1.00 0.00 C ATOM 1036 C SER A 69 18.240 1.141 -8.278 1.00 0.00 C ATOM 1037 O SER A 69 19.220 1.344 -7.562 1.00 0.00 O ATOM 1038 CB SER A 69 18.641 -0.737 -9.880 1.00 0.00 C ATOM 1039 OG SER A 69 18.266 -2.046 -10.275 1.00 0.00 O ATOM 0 H SER A 69 16.175 -0.461 -9.935 1.00 0.00 H new ATOM 0 HA SER A 69 18.047 -0.936 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.485 -0.045 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.705 -0.716 -9.643 1.00 0.00 H new ATOM 0 HG SER A 69 18.795 -2.317 -11.054 1.00 0.00 H new ATOM 1045 N LYS A 70 17.479 2.116 -8.756 1.00 0.00 N ATOM 1046 CA LYS A 70 17.755 3.517 -8.464 1.00 0.00 C ATOM 1047 C LYS A 70 17.042 3.961 -7.189 1.00 0.00 C ATOM 1048 O LYS A 70 17.512 4.855 -6.484 1.00 0.00 O ATOM 1049 CB LYS A 70 17.322 4.400 -9.636 1.00 0.00 C ATOM 1050 CG LYS A 70 18.125 4.161 -10.905 1.00 0.00 C ATOM 1051 CD LYS A 70 17.654 5.057 -12.039 1.00 0.00 C ATOM 1052 CE LYS A 70 18.039 6.508 -11.799 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.505 6.726 -11.950 1.00 0.00 N ATOM 0 H LYS A 70 16.664 1.962 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 70 18.829 3.624 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.267 4.222 -9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.418 5.447 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.181 4.346 -10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.034 3.117 -11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.088 4.715 -12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.572 4.979 -12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.503 7.147 -12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.729 6.805 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.703 7.747 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.004 6.301 -11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.833 6.283 -12.832 1.00 0.00 H new ATOM 1067 N LYS A 71 15.907 3.333 -6.901 1.00 0.00 N ATOM 1068 CA LYS A 71 15.131 3.666 -5.711 1.00 0.00 C ATOM 1069 C LYS A 71 15.682 2.952 -4.483 1.00 0.00 C ATOM 1070 O LYS A 71 16.103 1.798 -4.559 1.00 0.00 O ATOM 1071 CB LYS A 71 13.661 3.296 -5.916 1.00 0.00 C ATOM 1072 CG LYS A 71 13.026 3.973 -7.120 1.00 0.00 C ATOM 1073 CD LYS A 71 13.011 5.485 -6.966 1.00 0.00 C ATOM 1074 CE LYS A 71 12.288 6.157 -8.122 1.00 0.00 C ATOM 1075 NZ LYS A 71 10.808 6.047 -7.991 1.00 0.00 N ATOM 0 H LYS A 71 15.504 2.592 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 71 15.208 4.741 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.580 2.215 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.099 3.563 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.576 3.704 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.006 3.609 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.524 5.751 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.034 5.856 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.571 7.209 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.604 5.703 -9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.352 6.518 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.534 5.044 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.503 6.503 -7.107 1.00 0.00 H new ATOM 1089 N ARG A 72 15.674 3.649 -3.350 1.00 0.00 N ATOM 1090 CA ARG A 72 16.172 3.083 -2.103 1.00 0.00 C ATOM 1091 C ARG A 72 15.369 1.850 -1.706 1.00 0.00 C ATOM 1092 O ARG A 72 14.137 1.870 -1.713 1.00 0.00 O ATOM 1093 CB ARG A 72 16.113 4.126 -0.986 1.00 0.00 C ATOM 1094 CG ARG A 72 17.016 5.324 -1.225 1.00 0.00 C ATOM 1095 CD ARG A 72 16.965 6.304 -0.062 1.00 0.00 C ATOM 1096 NE ARG A 72 17.482 5.717 1.173 1.00 0.00 N ATOM 1097 CZ ARG A 72 16.744 5.017 2.033 1.00 0.00 C ATOM 1098 NH1 ARG A 72 15.453 4.812 1.801 1.00 0.00 N ATOM 1099 NH2 ARG A 72 17.301 4.520 3.129 1.00 0.00 N ATOM 0 H ARG A 72 15.328 4.605 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 72 17.209 2.784 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.085 4.472 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.392 3.654 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 72 18.041 4.984 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.715 5.830 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.545 7.193 -0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.936 6.628 0.094 1.00 0.00 H new ATOM 0 HE ARG A 72 18.470 5.852 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.020 5.192 0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.895 4.275 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.293 4.674 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.738 3.984 3.789 1.00 0.00 H new ATOM 1113 N LYS A 73 16.073 0.778 -1.360 1.00 0.00 N ATOM 1114 CA LYS A 73 15.425 -0.465 -0.959 1.00 0.00 C ATOM 1115 C LYS A 73 14.926 -0.381 0.479 1.00 0.00 C ATOM 1116 O LYS A 73 15.546 0.265 1.325 1.00 0.00 O ATOM 1117 CB LYS A 73 16.395 -1.639 -1.105 1.00 0.00 C ATOM 1118 CG LYS A 73 16.829 -1.896 -2.539 1.00 0.00 C ATOM 1119 CD LYS A 73 17.701 -3.136 -2.644 1.00 0.00 C ATOM 1120 CE LYS A 73 18.237 -3.322 -4.054 1.00 0.00 C ATOM 1121 NZ LYS A 73 19.149 -2.215 -4.453 1.00 0.00 N ATOM 0 H LYS A 73 17.092 0.745 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 73 14.568 -0.625 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 73 17.278 -1.447 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.925 -2.539 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.949 -2.015 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.377 -1.032 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.533 -3.057 -1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.123 -4.014 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.769 -4.271 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.404 -3.376 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.686 -2.495 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.590 -1.364 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.809 -2.012 -3.676 1.00 0.00 H new ATOM 1135 N ASP A 74 13.802 -1.036 0.750 1.00 0.00 N ATOM 1136 CA ASP A 74 13.218 -1.033 2.086 1.00 0.00 C ATOM 1137 C ASP A 74 14.158 -1.682 3.097 1.00 0.00 C ATOM 1138 O ASP A 74 14.090 -1.398 4.292 1.00 0.00 O ATOM 1139 CB ASP A 74 11.872 -1.761 2.080 1.00 0.00 C ATOM 1140 CG ASP A 74 11.108 -1.577 3.376 1.00 0.00 C ATOM 1141 OD1 ASP A 74 11.474 -0.675 4.160 1.00 0.00 O ATOM 1142 OD2 ASP A 74 10.142 -2.334 3.609 1.00 0.00 O ATOM 0 H ASP A 74 13.277 -1.576 0.062 1.00 0.00 H new ATOM 0 HA ASP A 74 13.060 0.004 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.268 -1.394 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.038 -2.824 1.908 1.00 0.00 H new ATOM 1147 N ASN A 75 15.030 -2.558 2.606 1.00 0.00 N ATOM 1148 CA ASN A 75 15.994 -3.259 3.455 1.00 0.00 C ATOM 1149 C ASN A 75 15.320 -4.329 4.316 1.00 0.00 C ATOM 1150 O ASN A 75 15.977 -4.996 5.113 1.00 0.00 O ATOM 1151 CB ASN A 75 16.728 -2.267 4.354 1.00 0.00 C ATOM 1152 CG ASN A 75 17.319 -1.107 3.576 1.00 0.00 C ATOM 1153 OD1 ASN A 75 17.177 0.052 3.966 1.00 0.00 O ATOM 1154 ND2 ASN A 75 17.986 -1.415 2.470 1.00 0.00 N ATOM 0 H ASN A 75 15.090 -2.802 1.617 1.00 0.00 H new ATOM 0 HA ASN A 75 16.707 -3.754 2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 75 16.038 -1.883 5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.524 -2.786 4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 75 18.406 -0.677 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 75 18.078 -2.390 2.185 1.00 0.00 H new ATOM 1161 N GLU A 76 14.010 -4.488 4.154 1.00 0.00 N ATOM 1162 CA GLU A 76 13.261 -5.476 4.921 1.00 0.00 C ATOM 1163 C GLU A 76 13.052 -6.750 4.106 1.00 0.00 C ATOM 1164 O GLU A 76 11.922 -7.105 3.766 1.00 0.00 O ATOM 1165 CB GLU A 76 11.910 -4.901 5.353 1.00 0.00 C ATOM 1166 CG GLU A 76 12.028 -3.688 6.261 1.00 0.00 C ATOM 1167 CD GLU A 76 10.681 -3.180 6.736 1.00 0.00 C ATOM 1168 OE1 GLU A 76 9.650 -3.620 6.184 1.00 0.00 O ATOM 1169 OE2 GLU A 76 10.655 -2.340 7.660 1.00 0.00 O ATOM 0 H GLU A 76 13.446 -3.946 3.499 1.00 0.00 H new ATOM 0 HA GLU A 76 13.839 -5.726 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.341 -4.626 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.342 -5.676 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.640 -3.944 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.546 -2.890 5.729 1.00 0.00 H new ATOM 1176 N GLY A 77 14.147 -7.431 3.795 1.00 0.00 N ATOM 1177 CA GLY A 77 14.065 -8.657 3.022 1.00 0.00 C ATOM 1178 C GLY A 77 14.361 -8.445 1.549 1.00 0.00 C ATOM 1179 O GLY A 77 14.168 -9.350 0.736 1.00 0.00 O ATOM 0 H GLY A 77 15.092 -7.157 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.768 -9.385 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.067 -9.083 3.130 1.00 0.00 H new ATOM 1183 N ASN A 78 14.831 -7.250 1.199 1.00 0.00 N ATOM 1184 CA ASN A 78 15.152 -6.932 -0.187 1.00 0.00 C ATOM 1185 C ASN A 78 16.636 -7.148 -0.465 1.00 0.00 C ATOM 1186 O ASN A 78 17.491 -6.709 0.305 1.00 0.00 O ATOM 1187 CB ASN A 78 14.766 -5.487 -0.505 1.00 0.00 C ATOM 1188 CG ASN A 78 13.274 -5.245 -0.380 1.00 0.00 C ATOM 1189 OD1 ASN A 78 12.463 -6.088 -0.765 1.00 0.00 O ATOM 1190 ND2 ASN A 78 12.904 -4.090 0.159 1.00 0.00 N ATOM 0 H ASN A 78 14.997 -6.488 1.856 1.00 0.00 H new ATOM 0 HA ASN A 78 14.579 -7.602 -0.829 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.298 -4.815 0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 78 15.087 -5.243 -1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.914 -3.872 0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.610 -3.420 0.464 1.00 0.00 H new ATOM 1197 N GLU A 79 16.934 -7.825 -1.568 1.00 0.00 N ATOM 1198 CA GLU A 79 18.316 -8.101 -1.947 1.00 0.00 C ATOM 1199 C GLU A 79 18.703 -7.318 -3.197 1.00 0.00 C ATOM 1200 O GLU A 79 17.857 -6.698 -3.841 1.00 0.00 O ATOM 1201 CB GLU A 79 18.511 -9.599 -2.188 1.00 0.00 C ATOM 1202 CG GLU A 79 18.237 -10.453 -0.962 1.00 0.00 C ATOM 1203 CD GLU A 79 19.157 -10.122 0.197 1.00 0.00 C ATOM 1204 OE1 GLU A 79 20.207 -9.491 -0.040 1.00 0.00 O ATOM 1205 OE2 GLU A 79 18.827 -10.495 1.343 1.00 0.00 O ATOM 0 H GLU A 79 16.238 -8.193 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 79 18.962 -7.785 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.853 -9.917 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.534 -9.775 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.202 -10.313 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 79 18.352 -11.505 -1.223 1.00 0.00 H new ATOM 1212 N VAL A 80 19.990 -7.350 -3.532 1.00 0.00 N ATOM 1213 CA VAL A 80 20.492 -6.643 -4.705 1.00 0.00 C ATOM 1214 C VAL A 80 19.800 -7.128 -5.975 1.00 0.00 C ATOM 1215 O VAL A 80 19.544 -6.346 -6.892 1.00 0.00 O ATOM 1216 CB VAL A 80 22.014 -6.824 -4.860 1.00 0.00 C ATOM 1217 CG1 VAL A 80 22.542 -5.968 -6.002 1.00 0.00 C ATOM 1218 CG2 VAL A 80 22.725 -6.488 -3.559 1.00 0.00 C ATOM 0 H VAL A 80 20.703 -7.857 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 80 20.273 -5.585 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 80 22.215 -7.868 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 80 23.619 -6.110 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.055 -6.262 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 80 22.331 -4.918 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 80 23.799 -6.621 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 80 22.517 -5.453 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 80 22.369 -7.149 -2.769 1.00 0.00 H new ATOM 1228 N VAL A 81 19.499 -8.422 -6.024 1.00 0.00 N ATOM 1229 CA VAL A 81 18.837 -9.012 -7.182 1.00 0.00 C ATOM 1230 C VAL A 81 17.527 -8.292 -7.495 1.00 0.00 C ATOM 1231 O VAL A 81 16.550 -8.417 -6.753 1.00 0.00 O ATOM 1232 CB VAL A 81 18.544 -10.507 -6.958 1.00 0.00 C ATOM 1233 CG1 VAL A 81 18.035 -11.151 -8.238 1.00 0.00 C ATOM 1234 CG2 VAL A 81 19.784 -11.225 -6.446 1.00 0.00 C ATOM 0 H VAL A 81 19.703 -9.083 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 81 19.519 -8.903 -8.025 1.00 0.00 H new ATOM 0 HB VAL A 81 17.764 -10.595 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.834 -12.207 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 81 17.117 -10.655 -8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.789 -11.053 -9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.557 -12.280 -6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 81 20.588 -11.128 -7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 81 20.097 -10.781 -5.501 1.00 0.00 H new ATOM 1244 N PRO A 82 17.482 -7.522 -8.599 1.00 0.00 N ATOM 1245 CA PRO A 82 16.278 -6.785 -8.995 1.00 0.00 C ATOM 1246 C PRO A 82 15.047 -7.682 -9.071 1.00 0.00 C ATOM 1247 O PRO A 82 15.006 -8.631 -9.853 1.00 0.00 O ATOM 1248 CB PRO A 82 16.630 -6.244 -10.383 1.00 0.00 C ATOM 1249 CG PRO A 82 18.117 -6.168 -10.394 1.00 0.00 C ATOM 1250 CD PRO A 82 18.595 -7.310 -9.543 1.00 0.00 C ATOM 0 HA PRO A 82 16.021 -6.010 -8.273 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.261 -6.902 -11.170 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.182 -5.265 -10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.505 -6.249 -11.410 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.462 -5.214 -9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.791 -8.201 -10.140 1.00 0.00 H new ATOM 0 HD3 PRO A 82 19.521 -7.064 -9.024 1.00 0.00 H new ATOM 1258 N LYS A 83 14.046 -7.374 -8.253 1.00 0.00 N ATOM 1259 CA LYS A 83 12.812 -8.151 -8.226 1.00 0.00 C ATOM 1260 C LYS A 83 11.629 -7.279 -7.815 1.00 0.00 C ATOM 1261 O LYS A 83 11.781 -6.346 -7.024 1.00 0.00 O ATOM 1262 CB LYS A 83 12.949 -9.333 -7.265 1.00 0.00 C ATOM 1263 CG LYS A 83 13.439 -10.608 -7.933 1.00 0.00 C ATOM 1264 CD LYS A 83 12.300 -11.361 -8.600 1.00 0.00 C ATOM 1265 CE LYS A 83 12.570 -12.856 -8.643 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.782 -13.534 -9.707 1.00 0.00 N ATOM 0 H LYS A 83 14.065 -6.591 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 83 12.629 -8.530 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.640 -9.063 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.983 -9.525 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.198 -10.362 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.915 -11.249 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.372 -11.173 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.159 -10.986 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.633 -13.028 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.327 -13.296 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.996 -14.552 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.767 -13.392 -9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.032 -13.132 -10.633 1.00 0.00 H new ATOM 1280 N PRO A 84 10.429 -7.569 -8.347 1.00 0.00 N ATOM 1281 CA PRO A 84 9.220 -6.804 -8.029 1.00 0.00 C ATOM 1282 C PRO A 84 8.714 -7.078 -6.616 1.00 0.00 C ATOM 1283 O PRO A 84 8.595 -8.230 -6.201 1.00 0.00 O ATOM 1284 CB PRO A 84 8.208 -7.300 -9.063 1.00 0.00 C ATOM 1285 CG PRO A 84 8.657 -8.679 -9.398 1.00 0.00 C ATOM 1286 CD PRO A 84 10.158 -8.664 -9.298 1.00 0.00 C ATOM 0 HA PRO A 84 9.396 -5.729 -8.064 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.196 -7.300 -8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.198 -6.661 -9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.228 -9.407 -8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.336 -8.961 -10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.546 -9.616 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.623 -8.479 -10.266 1.00 0.00 H new ATOM 1294 N GLN A 85 8.419 -6.010 -5.882 1.00 0.00 N ATOM 1295 CA GLN A 85 7.922 -6.133 -4.517 1.00 0.00 C ATOM 1296 C GLN A 85 6.457 -5.720 -4.436 1.00 0.00 C ATOM 1297 O GLN A 85 6.087 -4.626 -4.861 1.00 0.00 O ATOM 1298 CB GLN A 85 8.761 -5.275 -3.568 1.00 0.00 C ATOM 1299 CG GLN A 85 8.671 -3.784 -3.855 1.00 0.00 C ATOM 1300 CD GLN A 85 9.555 -2.960 -2.941 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.759 -2.835 -3.168 1.00 0.00 O ATOM 1302 NE2 GLN A 85 8.961 -2.390 -1.898 1.00 0.00 N ATOM 0 H GLN A 85 8.516 -5.049 -6.210 1.00 0.00 H new ATOM 0 HA GLN A 85 8.004 -7.178 -4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.438 -5.459 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 85 9.803 -5.587 -3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.954 -3.600 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.637 -3.458 -3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.961 -2.520 -1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.505 -1.823 -1.248 1.00 0.00 H new ATOM 1311 N ARG A 86 5.626 -6.603 -3.893 1.00 0.00 N ATOM 1312 CA ARG A 86 4.200 -6.328 -3.763 1.00 0.00 C ATOM 1313 C ARG A 86 3.769 -6.348 -2.300 1.00 0.00 C ATOM 1314 O ARG A 86 4.207 -7.198 -1.524 1.00 0.00 O ATOM 1315 CB ARG A 86 3.389 -7.353 -4.558 1.00 0.00 C ATOM 1316 CG ARG A 86 3.692 -7.345 -6.047 1.00 0.00 C ATOM 1317 CD ARG A 86 2.811 -8.329 -6.800 1.00 0.00 C ATOM 1318 NE ARG A 86 3.198 -8.445 -8.204 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.627 -9.288 -9.063 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.647 -10.090 -8.665 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.038 -9.329 -10.323 1.00 0.00 N ATOM 0 H ARG A 86 5.915 -7.514 -3.536 1.00 0.00 H new ATOM 0 HA ARG A 86 4.011 -5.332 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.588 -8.348 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.327 -7.157 -4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.541 -6.341 -6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.740 -7.597 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.872 -9.308 -6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.771 -8.008 -6.736 1.00 0.00 H new ATOM 0 HE ARG A 86 3.949 -7.846 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.327 -10.063 -7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.214 -10.733 -9.327 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.791 -8.715 -10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.601 -9.974 -10.981 1.00 0.00 H new ATOM 1335 N HIS A 87 2.906 -5.409 -1.930 1.00 0.00 N ATOM 1336 CA HIS A 87 2.411 -5.319 -0.562 1.00 0.00 C ATOM 1337 C HIS A 87 0.933 -5.693 -0.495 1.00 0.00 C ATOM 1338 O HIS A 87 0.073 -4.951 -0.967 1.00 0.00 O ATOM 1339 CB HIS A 87 2.614 -3.905 -0.013 1.00 0.00 C ATOM 1340 CG HIS A 87 3.962 -3.687 0.598 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.155 -3.506 1.952 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.190 -3.621 0.033 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.443 -3.338 2.194 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.094 -3.402 1.046 1.00 0.00 N ATOM 0 H HIS A 87 2.534 -4.698 -2.560 1.00 0.00 H new ATOM 0 HA HIS A 87 2.977 -6.022 0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.470 -3.187 -0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.848 -3.701 0.735 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.418 -3.502 2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.418 -3.722 -1.018 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.888 -3.176 3.165 1.00 0.00 H new ATOM 1353 N MET A 88 0.647 -6.850 0.096 1.00 0.00 N ATOM 1354 CA MET A 88 -0.726 -7.319 0.223 1.00 0.00 C ATOM 1355 C MET A 88 -1.292 -6.973 1.597 1.00 0.00 C ATOM 1356 O MET A 88 -0.718 -7.339 2.624 1.00 0.00 O ATOM 1357 CB MET A 88 -0.795 -8.830 -0.005 1.00 0.00 C ATOM 1358 CG MET A 88 -2.212 -9.376 -0.040 1.00 0.00 C ATOM 1359 SD MET A 88 -2.262 -11.174 -0.170 1.00 0.00 S ATOM 1360 CE MET A 88 -1.746 -11.647 1.479 1.00 0.00 C ATOM 0 H MET A 88 1.347 -7.477 0.493 1.00 0.00 H new ATOM 0 HA MET A 88 -1.327 -6.818 -0.535 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.299 -9.070 -0.945 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.240 -9.334 0.786 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.739 -9.066 0.863 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.744 -8.940 -0.885 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.781 -12.151 1.428 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.658 -10.757 2.102 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.485 -12.322 1.912 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.415 -6.264 1.609 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.053 -5.866 2.858 1.00 0.00 C ATOM 1372 C PHE A 89 -4.373 -6.601 3.063 1.00 0.00 C ATOM 1373 O PHE A 89 -5.023 -7.013 2.105 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.296 -4.357 2.869 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.037 -3.550 2.994 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.409 -3.414 4.220 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.484 -2.930 1.886 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.248 -2.672 4.340 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.324 -2.188 1.999 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.295 -2.059 3.228 1.00 0.00 C ATOM 0 H PHE A 89 -2.902 -5.953 0.768 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.382 -6.131 3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.811 -4.073 1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.961 -4.110 3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.830 -3.892 5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.964 -3.028 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.233 -2.572 5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.099 -1.709 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.202 -1.480 3.319 1.00 0.00 H new ATOM 1390 N SER A 90 -4.762 -6.751 4.324 1.00 0.00 N ATOM 1391 CA SER A 90 -6.009 -7.427 4.666 1.00 0.00 C ATOM 1392 C SER A 90 -6.954 -6.467 5.380 1.00 0.00 C ATOM 1393 O SER A 90 -6.626 -5.931 6.437 1.00 0.00 O ATOM 1394 CB SER A 90 -5.736 -8.650 5.546 1.00 0.00 C ATOM 1395 OG SER A 90 -4.344 -8.908 5.648 1.00 0.00 O ATOM 0 H SER A 90 -4.232 -6.414 5.127 1.00 0.00 H new ATOM 0 HA SER A 90 -6.481 -7.763 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.152 -8.486 6.540 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.241 -9.522 5.129 1.00 0.00 H new ATOM 0 HG SER A 90 -4.198 -9.693 6.217 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.123 -6.242 4.789 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.102 -5.332 5.365 1.00 0.00 C ATOM 1403 C PHE A 91 -10.179 -6.078 6.136 1.00 0.00 C ATOM 1404 O PHE A 91 -10.723 -7.076 5.664 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.749 -4.495 4.266 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.949 -3.286 3.894 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.896 -3.386 3.001 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.246 -2.053 4.444 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.152 -2.275 2.660 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.506 -0.934 4.107 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.457 -1.045 3.214 1.00 0.00 C ATOM 0 H PHE A 91 -8.414 -6.677 3.913 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.575 -4.682 6.063 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.889 -5.116 3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.739 -4.180 4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.654 -4.345 2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.064 -1.963 5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.333 -2.366 1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.748 0.025 4.541 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.877 -0.173 2.949 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.495 -5.569 7.319 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.525 -6.164 8.155 1.00 0.00 C ATOM 1423 C ASN A 92 -12.845 -5.416 7.981 1.00 0.00 C ATOM 1424 O ASN A 92 -13.783 -5.607 8.756 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.101 -6.141 9.624 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.913 -7.043 9.897 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -8.914 -6.616 10.473 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -10.019 -8.301 9.482 1.00 0.00 N ATOM 0 H ASN A 92 -10.051 -4.743 7.721 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.663 -7.200 7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.852 -5.120 9.911 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.940 -6.452 10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.252 -8.956 9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.867 -8.612 9.008 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.913 -4.559 6.960 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.116 -3.787 6.694 1.00 0.00 C ATOM 1437 C ASN A 93 -14.243 -3.458 5.212 1.00 0.00 C ATOM 1438 O ASN A 93 -13.353 -2.844 4.622 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.116 -2.501 7.519 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.781 -2.680 8.870 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -14.219 -3.298 9.774 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.985 -2.139 9.013 1.00 0.00 N ATOM 0 H ASN A 93 -12.148 -4.386 6.308 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.974 -4.394 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.089 -2.166 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.632 -1.717 6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.482 -2.227 9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.413 -1.635 8.236 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.358 -3.869 4.615 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.604 -3.615 3.202 1.00 0.00 C ATOM 1451 C ARG A 94 -15.641 -2.118 2.924 1.00 0.00 C ATOM 1452 O ARG A 94 -15.037 -1.638 1.963 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.919 -4.262 2.763 1.00 0.00 C ATOM 1454 CG ARG A 94 -17.139 -4.232 1.260 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.479 -4.843 0.881 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.599 -6.225 1.339 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.010 -7.258 0.742 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -17.259 -7.071 -0.335 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.173 -8.481 1.226 1.00 0.00 N ATOM 0 H ARG A 94 -16.104 -4.379 5.089 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.787 -4.056 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.937 -5.297 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.747 -3.751 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.094 -3.202 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.336 -4.776 0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -19.284 -4.247 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.600 -4.808 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.168 -6.409 2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.130 -6.131 -0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.810 -7.867 -0.788 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.749 -8.629 2.055 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.722 -9.274 0.770 1.00 0.00 H new ATOM 1473 N THR A 95 -16.348 -1.382 3.772 1.00 0.00 N ATOM 1474 CA THR A 95 -16.462 0.048 3.630 1.00 0.00 C ATOM 1475 C THR A 95 -15.115 0.719 3.842 1.00 0.00 C ATOM 1476 O THR A 95 -14.795 1.721 3.203 1.00 0.00 O ATOM 1477 CB THR A 95 -17.479 0.558 4.641 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.339 -0.487 5.058 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.342 1.665 4.103 1.00 0.00 C ATOM 0 H THR A 95 -16.853 -1.765 4.571 1.00 0.00 H new ATOM 0 HA THR A 95 -16.795 0.289 2.620 1.00 0.00 H new ATOM 0 HB THR A 95 -16.891 0.943 5.474 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.984 -0.140 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.046 1.984 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.714 2.508 3.813 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.893 1.307 3.233 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.329 0.150 4.743 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.010 0.680 5.048 1.00 0.00 C ATOM 1489 C VAL A 96 -12.052 0.446 3.892 1.00 0.00 C ATOM 1490 O VAL A 96 -11.224 1.300 3.574 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.427 0.059 6.337 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.004 0.543 6.579 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.311 0.385 7.532 1.00 0.00 C ATOM 0 H VAL A 96 -14.583 -0.681 5.277 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.127 1.752 5.207 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.400 -1.023 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.616 0.091 7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.374 0.256 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.001 1.628 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.886 -0.060 8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.371 1.466 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.310 -0.017 7.366 1.00 0.00 H new ATOM 1503 N MET A 97 -12.172 -0.711 3.260 1.00 0.00 N ATOM 1504 CA MET A 97 -11.315 -1.044 2.130 1.00 0.00 C ATOM 1505 C MET A 97 -11.718 -0.235 0.902 1.00 0.00 C ATOM 1506 O MET A 97 -10.875 0.131 0.084 1.00 0.00 O ATOM 1507 CB MET A 97 -11.377 -2.540 1.821 1.00 0.00 C ATOM 1508 CG MET A 97 -12.731 -3.005 1.319 1.00 0.00 C ATOM 1509 SD MET A 97 -12.659 -4.616 0.510 1.00 0.00 S ATOM 1510 CE MET A 97 -11.772 -4.200 -0.990 1.00 0.00 C ATOM 0 H MET A 97 -12.850 -1.432 3.507 1.00 0.00 H new ATOM 0 HA MET A 97 -10.289 -0.792 2.396 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.621 -2.779 1.073 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.122 -3.099 2.722 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.427 -3.055 2.157 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.127 -2.269 0.619 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.417 -4.368 -1.853 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.474 -3.152 -0.958 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.884 -4.827 -1.074 1.00 0.00 H new ATOM 1520 N ASP A 98 -13.012 0.042 0.783 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.523 0.811 -0.340 1.00 0.00 C ATOM 1522 C ASP A 98 -13.172 2.284 -0.191 1.00 0.00 C ATOM 1523 O ASP A 98 -12.999 2.997 -1.179 1.00 0.00 O ATOM 1524 CB ASP A 98 -15.040 0.641 -0.460 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.438 -0.785 -0.786 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.566 -1.557 -1.239 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.623 -1.130 -0.589 1.00 0.00 O ATOM 0 H ASP A 98 -13.723 -0.255 1.451 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.054 0.434 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.512 0.942 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.417 1.307 -1.236 1.00 0.00 H new ATOM 1532 N ASN A 99 -13.064 2.731 1.053 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.726 4.117 1.339 1.00 0.00 C ATOM 1534 C ASN A 99 -11.264 4.390 1.018 1.00 0.00 C ATOM 1535 O ASN A 99 -10.896 5.491 0.609 1.00 0.00 O ATOM 1536 CB ASN A 99 -13.014 4.447 2.804 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.497 4.443 3.119 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.334 4.502 2.218 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.830 4.373 4.402 1.00 0.00 N ATOM 0 H ASN A 99 -13.206 2.152 1.881 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.345 4.755 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.508 3.723 3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.598 5.426 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.813 4.367 4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.103 4.326 5.116 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.439 3.372 1.208 1.00 0.00 N ATOM 1547 CA ILE A 100 -9.010 3.478 0.942 1.00 0.00 C ATOM 1548 C ILE A 100 -8.701 3.183 -0.524 1.00 0.00 C ATOM 1549 O ILE A 100 -7.914 3.885 -1.156 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.204 2.508 1.830 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.495 2.769 3.310 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.715 2.631 1.543 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.935 4.080 3.819 1.00 0.00 C ATOM 0 H ILE A 100 -10.736 2.457 1.547 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.717 4.502 1.173 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.512 1.489 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.574 2.760 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.081 1.953 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.163 1.939 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.525 2.392 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.388 3.651 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.181 4.195 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.852 4.085 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.368 4.905 3.253 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.325 2.137 -1.054 1.00 0.00 N ATOM 1566 CA LYS A 101 -9.116 1.739 -2.442 1.00 0.00 C ATOM 1567 C LYS A 101 -9.355 2.906 -3.397 1.00 0.00 C ATOM 1568 O LYS A 101 -8.518 3.201 -4.250 1.00 0.00 O ATOM 1569 CB LYS A 101 -10.040 0.577 -2.803 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.820 0.036 -4.208 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.947 -0.891 -4.633 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.060 -2.093 -3.707 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.743 -3.239 -4.367 1.00 0.00 N ATOM 0 H LYS A 101 -9.982 1.548 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.078 1.422 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.892 -0.230 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.075 0.904 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.746 0.866 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.872 -0.501 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.889 -0.343 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.774 -1.232 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.064 -2.399 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.611 -1.810 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.552 -4.111 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.768 -3.065 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.387 -3.342 -5.339 1.00 0.00 H new ATOM 1587 N MET A 102 -10.503 3.559 -3.253 1.00 0.00 N ATOM 1588 CA MET A 102 -10.849 4.687 -4.111 1.00 0.00 C ATOM 1589 C MET A 102 -9.931 5.872 -3.859 1.00 0.00 C ATOM 1590 O MET A 102 -9.610 6.629 -4.776 1.00 0.00 O ATOM 1591 CB MET A 102 -12.306 5.096 -3.894 1.00 0.00 C ATOM 1592 CG MET A 102 -13.305 4.009 -4.258 1.00 0.00 C ATOM 1593 SD MET A 102 -15.014 4.566 -4.132 1.00 0.00 S ATOM 1594 CE MET A 102 -15.890 3.022 -4.364 1.00 0.00 C ATOM 0 H MET A 102 -11.208 3.328 -2.553 1.00 0.00 H new ATOM 0 HA MET A 102 -10.720 4.371 -5.146 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.446 5.370 -2.848 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.517 5.985 -4.488 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.112 3.669 -5.276 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.157 3.151 -3.602 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.964 3.202 -4.312 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.638 2.604 -5.339 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.602 2.319 -3.582 1.00 0.00 H new ATOM 1604 N THR A 103 -9.508 6.026 -2.615 1.00 0.00 N ATOM 1605 CA THR A 103 -8.626 7.116 -2.242 1.00 0.00 C ATOM 1606 C THR A 103 -7.218 6.863 -2.775 1.00 0.00 C ATOM 1607 O THR A 103 -6.539 7.783 -3.227 1.00 0.00 O ATOM 1608 CB THR A 103 -8.620 7.290 -0.716 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.409 8.405 -0.339 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.244 7.487 -0.117 1.00 0.00 C ATOM 0 H THR A 103 -9.763 5.407 -1.845 1.00 0.00 H new ATOM 0 HA THR A 103 -8.992 8.041 -2.688 1.00 0.00 H new ATOM 0 HB THR A 103 -9.025 6.355 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.396 8.500 0.636 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.331 7.602 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.622 6.620 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.787 8.381 -0.541 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.795 5.604 -2.727 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.477 5.228 -3.215 1.00 0.00 C ATOM 1620 C LEU A 104 -5.405 5.389 -4.728 1.00 0.00 C ATOM 1621 O LEU A 104 -4.355 5.721 -5.277 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.153 3.784 -2.827 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.855 3.563 -1.343 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.620 2.088 -1.060 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.652 4.389 -0.914 1.00 0.00 C ATOM 0 H LEU A 104 -7.346 4.830 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.741 5.888 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.993 3.150 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.292 3.452 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.720 3.889 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.409 1.950 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.510 1.519 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.772 1.735 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.454 4.220 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.781 4.093 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.859 5.446 -1.080 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.531 5.157 -5.397 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.592 5.282 -6.847 1.00 0.00 C ATOM 1639 C GLN A 105 -6.409 6.730 -7.270 1.00 0.00 C ATOM 1640 O GLN A 105 -5.839 7.016 -8.323 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.922 4.744 -7.378 1.00 0.00 C ATOM 1642 CG GLN A 105 -8.019 3.228 -7.347 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.387 2.723 -7.766 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.412 3.192 -7.272 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.406 1.763 -8.682 1.00 0.00 N ATOM 0 H GLN A 105 -7.410 4.882 -4.958 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.781 4.691 -7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.736 5.164 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.061 5.088 -8.403 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.262 2.805 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.798 2.874 -6.340 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.531 1.405 -9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.296 1.383 -9.005 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.890 7.644 -6.438 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.772 9.065 -6.723 1.00 0.00 C ATOM 1656 C GLN A 106 -5.310 9.486 -6.718 1.00 0.00 C ATOM 1657 O GLN A 106 -4.870 10.244 -7.582 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.562 9.886 -5.703 1.00 0.00 C ATOM 1659 CG GLN A 106 -9.067 9.694 -5.800 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.823 10.455 -4.730 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.243 10.892 -3.736 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -11.125 10.617 -4.927 1.00 0.00 N ATOM 0 H GLN A 106 -7.365 7.426 -5.562 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.187 9.252 -7.713 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.234 9.616 -4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.329 10.942 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.408 10.021 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.300 8.632 -5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.565 10.238 -5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.686 11.121 -4.240 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.556 8.974 -5.751 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.138 9.288 -5.654 1.00 0.00 C ATOM 1673 C ILE A 107 -2.429 8.899 -6.947 1.00 0.00 C ATOM 1674 O ILE A 107 -1.607 9.649 -7.473 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.486 8.557 -4.464 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.123 9.015 -3.151 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.983 8.800 -4.447 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.793 8.123 -1.975 1.00 0.00 C ATOM 0 H ILE A 107 -4.902 8.343 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 107 -3.040 10.361 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.655 7.486 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.792 10.030 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.205 9.053 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.539 8.276 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.544 8.429 -5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.788 9.869 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.278 8.509 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.149 7.112 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.714 8.105 -1.824 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.777 7.724 -7.462 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.205 7.229 -8.710 1.00 0.00 C ATOM 1692 C ILE A 108 -2.361 8.261 -9.806 1.00 0.00 C ATOM 1693 O ILE A 108 -1.405 8.639 -10.482 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.905 5.939 -9.179 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.160 4.991 -8.005 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.085 5.259 -10.258 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.984 4.844 -7.067 1.00 0.00 C ATOM 0 H ILE A 108 -3.455 7.095 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.152 7.025 -8.518 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.874 6.209 -9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.019 5.352 -7.440 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.425 4.009 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.591 4.349 -10.580 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.972 5.932 -11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.101 5.006 -9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.244 4.156 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.127 4.453 -7.616 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.731 5.817 -6.645 1.00 0.00 H new ATOM 1709 N SER A 109 -3.593 8.700 -9.962 1.00 0.00 N ATOM 1710 CA SER A 109 -3.941 9.693 -10.972 1.00 0.00 C ATOM 1711 C SER A 109 -3.098 10.952 -10.819 1.00 0.00 C ATOM 1712 O SER A 109 -2.794 11.634 -11.798 1.00 0.00 O ATOM 1713 CB SER A 109 -5.427 10.046 -10.882 1.00 0.00 C ATOM 1714 OG SER A 109 -6.234 8.886 -10.987 1.00 0.00 O ATOM 0 H SER A 109 -4.382 8.384 -9.398 1.00 0.00 H new ATOM 0 HA SER A 109 -3.735 9.260 -11.951 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.628 10.548 -9.936 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.686 10.746 -11.676 1.00 0.00 H new ATOM 0 HG SER A 109 -7.179 9.138 -10.925 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.721 11.252 -9.584 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.913 12.427 -9.298 1.00 0.00 C ATOM 1722 C ARG A 110 -0.486 12.239 -9.793 1.00 0.00 C ATOM 1723 O ARG A 110 0.169 13.193 -10.213 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.914 12.729 -7.798 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.280 13.114 -7.256 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.210 13.490 -5.784 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.539 13.671 -5.203 1.00 0.00 N ATOM 1728 CZ ARG A 110 -5.279 14.765 -5.373 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -4.825 15.775 -6.104 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -6.476 14.848 -4.809 1.00 0.00 N ATOM 0 H ARG A 110 -2.963 10.696 -8.763 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.352 13.273 -9.826 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.552 11.853 -7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.212 13.538 -7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.676 13.953 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.972 12.283 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.677 12.713 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.636 14.410 -5.671 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.922 12.916 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.904 15.716 -6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.397 16.610 -6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.829 14.074 -4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.044 15.685 -4.938 1.00 0.00 H new ATOM 1744 N TYR A 111 -0.016 11.001 -9.748 1.00 0.00 N ATOM 1745 CA TYR A 111 1.333 10.684 -10.201 1.00 0.00 C ATOM 1746 C TYR A 111 1.426 10.775 -11.718 1.00 0.00 C ATOM 1747 O TYR A 111 2.487 11.069 -12.271 1.00 0.00 O ATOM 1748 CB TYR A 111 1.740 9.288 -9.728 1.00 0.00 C ATOM 1749 CG TYR A 111 2.302 9.267 -8.324 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.621 9.627 -8.079 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.512 8.891 -7.246 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.137 9.611 -6.797 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.021 8.872 -5.962 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.334 9.233 -5.743 1.00 0.00 C ATOM 1755 OH TYR A 111 3.844 9.217 -4.465 1.00 0.00 O ATOM 0 H TYR A 111 -0.546 10.201 -9.404 1.00 0.00 H new ATOM 0 HA TYR A 111 2.019 11.413 -9.769 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.872 8.630 -9.773 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.483 8.883 -10.415 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.253 9.924 -8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.483 8.609 -7.414 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.165 9.893 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.394 8.576 -5.134 1.00 0.00 H new ATOM 0 HH TYR A 111 3.148 8.928 -3.839 1.00 0.00 H new ATOM 1765 N LYS A 112 0.307 10.527 -12.382 1.00 0.00 N ATOM 1766 CA LYS A 112 0.249 10.583 -13.835 1.00 0.00 C ATOM 1767 C LYS A 112 0.371 12.022 -14.323 1.00 0.00 C ATOM 1768 O LYS A 112 0.943 12.283 -15.380 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.058 9.968 -14.340 1.00 0.00 C ATOM 1770 CG LYS A 112 -1.297 8.552 -13.842 1.00 0.00 C ATOM 1771 CD LYS A 112 -0.184 7.610 -14.278 1.00 0.00 C ATOM 1772 CE LYS A 112 0.472 6.930 -13.088 1.00 0.00 C ATOM 1773 NZ LYS A 112 1.507 5.948 -13.510 1.00 0.00 N ATOM 0 H LYS A 112 -0.577 10.284 -11.935 1.00 0.00 H new ATOM 0 HA LYS A 112 1.086 10.009 -14.232 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.891 10.599 -14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.051 9.964 -15.430 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.367 8.555 -12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.252 8.188 -14.222 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.589 6.855 -14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.567 8.167 -14.838 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.927 7.683 -12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.289 6.423 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.930 5.506 -12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.068 5.214 -14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.247 6.436 -14.054 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.172 12.952 -13.544 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.125 14.367 -13.895 1.00 0.00 C ATOM 1789 C ASP A 113 1.317 14.849 -14.020 1.00 0.00 C ATOM 1790 O ASP A 113 1.637 15.662 -14.888 1.00 0.00 O ATOM 1791 CB ASP A 113 -0.863 15.200 -12.845 1.00 0.00 C ATOM 1792 CG ASP A 113 -2.352 14.914 -12.822 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -2.860 14.322 -13.798 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -3.012 15.280 -11.826 1.00 0.00 O ATOM 0 H ASP A 113 -0.650 12.751 -12.665 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.617 14.492 -14.860 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.441 14.995 -11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.702 16.259 -13.047 1.00 0.00 H new ATOM 1799 N ALA A 114 2.182 14.344 -13.148 1.00 0.00 N ATOM 1800 CA ALA A 114 3.589 14.722 -13.160 1.00 0.00 C ATOM 1801 C ALA A 114 4.244 14.359 -14.487 1.00 0.00 C ATOM 1802 O ALA A 114 5.142 15.057 -14.960 1.00 0.00 O ATOM 1803 CB ALA A 114 4.325 14.055 -12.006 1.00 0.00 C ATOM 0 H ALA A 114 1.933 13.671 -12.423 1.00 0.00 H new ATOM 0 HA ALA A 114 3.650 15.804 -13.039 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.375 14.346 -12.027 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.881 14.368 -11.061 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.247 12.972 -12.102 1.00 0.00 H new ATOM 1809 N ASP A 115 3.790 13.262 -15.086 1.00 0.00 N ATOM 1810 CA ASP A 115 4.334 12.807 -16.361 1.00 0.00 C ATOM 1811 C ASP A 115 3.535 11.626 -16.902 1.00 0.00 C ATOM 1812 O ASP A 115 3.074 11.706 -18.061 1.00 0.00 O ATOM 1813 CB ASP A 115 5.804 12.412 -16.201 1.00 0.00 C ATOM 1814 CG ASP A 115 6.455 12.058 -17.524 1.00 0.00 C ATOM 1815 OD1 ASP A 115 5.867 12.373 -18.579 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.555 11.465 -17.503 1.00 0.00 O ATOM 1817 OXT ASP A 115 3.374 10.632 -16.163 1.00 0.00 O ATOM 0 H ASP A 115 3.048 12.672 -14.709 1.00 0.00 H new ATOM 0 HA ASP A 115 4.261 13.629 -17.073 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.350 13.234 -15.739 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.877 11.561 -15.524 1.00 0.00 H new TER 1822 ASP A 115