USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 649 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 105 ASN : amide:sc= -5.1 K(o=-12,f=-20!) USER MOD Set 1.2: A 109 MET CE :methyl -147:sc= -6.42! (180deg=-8.92!) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -1.6 K(o=-3.2,f=-4.1!) USER MOD Set 2.2: A 69 TYR OH : rot 73:sc= -1.6! USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 33 SER OG : rot 180:sc=-0.00626 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.57 F(o=-1.5,f=-0.57) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.08 F(o=-3.8!,f=-1.1) USER MOD Single : A 42 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -5.54! C(o=-5.5!,f=-5.1!) USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.4!) USER MOD Single : A 63 GLN : amide:sc= 0.0559 K(o=0.056,f=-2.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.44 F(o=-1.1,f=-0.44) USER MOD Single : A 70 ASN : amide:sc= 0.0139 X(o=0.014,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.018) USER MOD Single : A 76 THR OG1 : rot 68:sc= -0.852 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -80:sc= 0.278 USER MOD Single : A 82 MET CE :methyl 139:sc= -0.506 (180deg=-1.48) USER MOD Single : A 85 MET CE :methyl 135:sc= -2 (180deg=-5.2!) USER MOD Single : A 86 GLN : amide:sc= -2.48 K(o=-2.5,f=-12!) USER MOD Single : A 87 HIS : no HE2:sc= -3.39! C(o=-3.4!,f=-4.2!) USER MOD Single : A 103 HIS : no HD1:sc= -5.84! C(o=-5.8!,f=-6.1!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -98:sc= 0.591 USER MOD Single : A 117 SER OG : rot 97:sc= 0.998 USER MOD Single : A 119 MET CE :methyl -144:sc= -1.03 (180deg=-1.98!) USER MOD Single : A 124 GLN : amide:sc= 0.0251 K(o=0.025,f=-0.48) USER MOD Single : A 125 HIS : no HE2:sc= -0.872 K(o=-0.87,f=-3!) USER MOD Single : A 127 MET CE :methyl -167:sc= -0.156 (180deg=-0.368) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.417 10.711 -7.076 1.00 0.00 N ATOM 44 CA THR A 32 -15.564 10.572 -6.184 1.00 0.00 C ATOM 45 C THR A 32 -15.166 9.884 -4.883 1.00 0.00 C ATOM 46 O THR A 32 -14.034 9.423 -4.733 1.00 0.00 O ATOM 47 CB THR A 32 -16.677 9.779 -6.871 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.842 9.747 -6.066 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.291 8.348 -7.179 1.00 0.00 C ATOM 0 HA THR A 32 -15.929 11.572 -5.948 1.00 0.00 H new ATOM 0 HB THR A 32 -16.862 10.298 -7.811 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.542 9.237 -6.524 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.125 7.843 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.425 8.339 -7.841 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.044 7.830 -6.252 1.00 0.00 H new ATOM 57 N SER A 33 -16.106 9.817 -3.946 1.00 0.00 N ATOM 58 CA SER A 33 -15.857 9.181 -2.658 1.00 0.00 C ATOM 59 C SER A 33 -15.781 7.666 -2.812 1.00 0.00 C ATOM 60 O SER A 33 -14.999 7.000 -2.134 1.00 0.00 O ATOM 61 CB SER A 33 -16.955 9.552 -1.660 1.00 0.00 C ATOM 62 OG SER A 33 -18.159 8.861 -1.947 1.00 0.00 O ATOM 0 H SER A 33 -17.047 10.195 -4.055 1.00 0.00 H new ATOM 0 HA SER A 33 -14.900 9.540 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.627 9.313 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.132 10.627 -1.692 1.00 0.00 H new ATOM 0 HG SER A 33 -18.845 9.114 -1.294 1.00 0.00 H new ATOM 68 N SER A 34 -16.598 7.130 -3.714 1.00 0.00 N ATOM 69 CA SER A 34 -16.622 5.694 -3.965 1.00 0.00 C ATOM 70 C SER A 34 -15.302 5.231 -4.571 1.00 0.00 C ATOM 71 O SER A 34 -14.865 4.103 -4.346 1.00 0.00 O ATOM 72 CB SER A 34 -17.779 5.337 -4.901 1.00 0.00 C ATOM 73 OG SER A 34 -19.028 5.491 -4.250 1.00 0.00 O ATOM 0 H SER A 34 -17.251 7.669 -4.283 1.00 0.00 H new ATOM 0 HA SER A 34 -16.766 5.184 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.745 5.974 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.669 4.308 -5.245 1.00 0.00 H new ATOM 0 HG SER A 34 -19.751 5.258 -4.870 1.00 0.00 H new ATOM 79 N GLN A 35 -14.670 6.113 -5.340 1.00 0.00 N ATOM 80 CA GLN A 35 -13.397 5.796 -5.977 1.00 0.00 C ATOM 81 C GLN A 35 -12.251 5.926 -4.982 1.00 0.00 C ATOM 82 O GLN A 35 -11.296 5.150 -5.018 1.00 0.00 O ATOM 83 CB GLN A 35 -13.161 6.712 -7.177 1.00 0.00 C ATOM 84 CG GLN A 35 -11.809 6.513 -7.845 1.00 0.00 C ATOM 85 CD GLN A 35 -11.576 5.078 -8.275 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.598 4.426 -7.657 1.00 0.00 O flip ATOM 87 NE2 GLN A 35 -12.267 4.560 -9.152 1.00 0.00 N flip ATOM 0 H GLN A 35 -15.018 7.051 -5.537 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.436 4.764 -6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.948 6.542 -7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.246 7.749 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.739 7.165 -8.716 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.020 6.815 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.008 5.098 -9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.098 3.593 -9.430 1.00 0.00 H new ATOM 96 N LEU A 36 -12.353 6.906 -4.088 1.00 0.00 N ATOM 97 CA LEU A 36 -11.324 7.123 -3.079 1.00 0.00 C ATOM 98 C LEU A 36 -11.069 5.837 -2.302 1.00 0.00 C ATOM 99 O LEU A 36 -9.922 5.436 -2.098 1.00 0.00 O ATOM 100 CB LEU A 36 -11.740 8.244 -2.122 1.00 0.00 C ATOM 101 CG LEU A 36 -11.035 9.582 -2.346 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.536 9.440 -2.129 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.327 10.109 -3.743 1.00 0.00 C ATOM 0 H LEU A 36 -13.135 7.559 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.403 7.419 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.815 8.398 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.550 7.917 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.418 10.299 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.052 10.403 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.346 9.107 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.135 8.708 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.818 11.062 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.972 9.393 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.401 10.250 -3.861 1.00 0.00 H new ATOM 115 N LEU A 37 -12.149 5.185 -1.885 1.00 0.00 N ATOM 116 CA LEU A 37 -12.043 3.936 -1.147 1.00 0.00 C ATOM 117 C LEU A 37 -11.756 2.773 -2.095 1.00 0.00 C ATOM 118 O LEU A 37 -11.300 1.712 -1.671 1.00 0.00 O ATOM 119 CB LEU A 37 -13.323 3.666 -0.352 1.00 0.00 C ATOM 120 CG LEU A 37 -14.570 3.395 -1.195 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.776 1.899 -1.369 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.795 4.033 -0.556 1.00 0.00 C ATOM 0 H LEU A 37 -13.105 5.502 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.213 4.027 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.152 2.810 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.519 4.523 0.292 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.426 3.841 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.667 1.722 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.909 1.468 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.900 1.433 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.673 3.830 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.944 3.617 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.647 5.110 -0.480 1.00 0.00 H new ATOM 134 N SER A 38 -12.020 2.976 -3.383 1.00 0.00 N ATOM 135 CA SER A 38 -11.781 1.940 -4.379 1.00 0.00 C ATOM 136 C SER A 38 -10.284 1.723 -4.584 1.00 0.00 C ATOM 137 O SER A 38 -9.848 0.626 -4.938 1.00 0.00 O ATOM 138 CB SER A 38 -12.440 2.318 -5.706 1.00 0.00 C ATOM 139 OG SER A 38 -12.794 1.164 -6.449 1.00 0.00 O ATOM 0 H SER A 38 -12.398 3.846 -3.759 1.00 0.00 H new ATOM 0 HA SER A 38 -12.220 1.011 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.330 2.918 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.758 2.935 -6.291 1.00 0.00 H new ATOM 0 HG SER A 38 -13.215 1.434 -7.292 1.00 0.00 H new ATOM 145 N VAL A 39 -9.498 2.773 -4.359 1.00 0.00 N ATOM 146 CA VAL A 39 -8.054 2.687 -4.523 1.00 0.00 C ATOM 147 C VAL A 39 -7.381 2.221 -3.238 1.00 0.00 C ATOM 148 O VAL A 39 -6.336 1.571 -3.276 1.00 0.00 O ATOM 149 CB VAL A 39 -7.449 4.036 -4.962 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.714 5.114 -3.921 1.00 0.00 C ATOM 151 CG2 VAL A 39 -5.958 3.888 -5.227 1.00 0.00 C ATOM 0 H VAL A 39 -9.837 3.689 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.870 1.953 -5.308 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.932 4.344 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.278 6.056 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.789 5.238 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.265 4.821 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.546 4.849 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.458 3.554 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.800 3.155 -6.018 1.00 0.00 H new ATOM 161 N ARG A 40 -7.984 2.547 -2.100 1.00 0.00 N ATOM 162 CA ARG A 40 -7.430 2.143 -0.816 1.00 0.00 C ATOM 163 C ARG A 40 -7.686 0.660 -0.574 1.00 0.00 C ATOM 164 O ARG A 40 -6.929 -0.004 0.135 1.00 0.00 O ATOM 165 CB ARG A 40 -8.017 2.986 0.320 1.00 0.00 C ATOM 166 CG ARG A 40 -9.486 2.709 0.610 1.00 0.00 C ATOM 167 CD ARG A 40 -9.694 1.457 1.455 1.00 0.00 C ATOM 168 NE ARG A 40 -8.559 1.172 2.333 1.00 0.00 N ATOM 169 CZ ARG A 40 -8.363 1.766 3.509 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.214 2.687 3.946 1.00 0.00 N ATOM 171 NH2 ARG A 40 -7.313 1.439 4.249 1.00 0.00 N ATOM 0 H ARG A 40 -8.849 3.085 -2.041 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.353 2.311 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.439 2.806 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.900 4.041 0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.918 3.566 1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.024 2.600 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.594 1.577 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.862 0.604 0.798 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.878 0.478 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.023 2.943 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.059 3.138 4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.656 0.733 3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.162 1.894 5.150 1.00 0.00 H new ATOM 185 N HIS A 41 -8.749 0.142 -1.183 1.00 0.00 N ATOM 186 CA HIS A 41 -9.094 -1.265 -1.051 1.00 0.00 C ATOM 187 C HIS A 41 -8.196 -2.107 -1.950 1.00 0.00 C ATOM 188 O HIS A 41 -7.808 -3.220 -1.595 1.00 0.00 O ATOM 189 CB HIS A 41 -10.564 -1.494 -1.412 1.00 0.00 C ATOM 190 CG HIS A 41 -11.516 -1.147 -0.309 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.552 -0.274 -0.273 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -11.464 -1.726 0.942 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.100 -0.343 0.983 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -12.427 -1.225 1.697 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.385 0.678 -1.773 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.942 -1.565 -0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.810 -0.900 -2.292 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.703 -2.540 -1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.749 -2.472 1.256 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.946 0.232 1.331 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -12.617 -1.478 2.667 1.00 0.00 H new ATOM 203 N GLN A 42 -7.862 -1.559 -3.116 1.00 0.00 N ATOM 204 CA GLN A 42 -7.002 -2.250 -4.068 1.00 0.00 C ATOM 205 C GLN A 42 -5.539 -2.164 -3.636 1.00 0.00 C ATOM 206 O GLN A 42 -4.762 -3.095 -3.847 1.00 0.00 O ATOM 207 CB GLN A 42 -7.184 -1.659 -5.475 1.00 0.00 C ATOM 208 CG GLN A 42 -6.273 -0.479 -5.782 1.00 0.00 C ATOM 209 CD GLN A 42 -4.938 -0.911 -6.358 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.843 -1.937 -7.032 1.00 0.00 O ATOM 211 NE2 GLN A 42 -3.898 -0.128 -6.094 1.00 0.00 N ATOM 0 H GLN A 42 -8.175 -0.638 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.288 -3.302 -4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.005 -2.442 -6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.221 -1.343 -5.592 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.771 0.187 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.104 0.092 -4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.023 0.713 -5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.974 -0.368 -6.454 1.00 0.00 H new ATOM 220 N LEU A 43 -5.173 -1.037 -3.032 1.00 0.00 N ATOM 221 CA LEU A 43 -3.805 -0.822 -2.570 1.00 0.00 C ATOM 222 C LEU A 43 -3.557 -1.550 -1.252 1.00 0.00 C ATOM 223 O LEU A 43 -2.618 -2.337 -1.135 1.00 0.00 O ATOM 224 CB LEU A 43 -3.533 0.680 -2.407 1.00 0.00 C ATOM 225 CG LEU A 43 -2.056 1.107 -2.412 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.503 1.125 -0.998 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.216 0.196 -3.299 1.00 0.00 C ATOM 0 H LEU A 43 -5.806 -0.258 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.122 -1.227 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.046 1.210 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.982 1.010 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.003 2.115 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.457 1.429 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.073 1.830 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.582 0.128 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.177 0.526 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.278 -0.828 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.591 0.237 -4.322 1.00 0.00 H new ATOM 239 N ALA A 44 -4.406 -1.285 -0.263 1.00 0.00 N ATOM 240 CA ALA A 44 -4.280 -1.917 1.046 1.00 0.00 C ATOM 241 C ALA A 44 -4.243 -3.438 0.925 1.00 0.00 C ATOM 242 O ALA A 44 -3.416 -4.100 1.553 1.00 0.00 O ATOM 243 CB ALA A 44 -5.427 -1.490 1.948 1.00 0.00 C ATOM 0 H ALA A 44 -5.189 -0.636 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.338 -1.591 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.322 -1.968 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.409 -0.407 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.374 -1.788 1.498 1.00 0.00 H new ATOM 249 N GLU A 45 -5.144 -3.987 0.115 1.00 0.00 N ATOM 250 CA GLU A 45 -5.211 -5.431 -0.085 1.00 0.00 C ATOM 251 C GLU A 45 -3.881 -5.973 -0.596 1.00 0.00 C ATOM 252 O GLU A 45 -3.295 -6.874 0.003 1.00 0.00 O ATOM 253 CB GLU A 45 -6.330 -5.780 -1.068 1.00 0.00 C ATOM 254 CG GLU A 45 -7.679 -5.994 -0.402 1.00 0.00 C ATOM 255 CD GLU A 45 -8.672 -6.697 -1.307 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.333 -6.007 -2.111 1.00 0.00 O ATOM 257 OE2 GLU A 45 -8.787 -7.937 -1.212 1.00 0.00 O ATOM 0 H GLU A 45 -5.836 -3.455 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.425 -5.896 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.420 -4.980 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.055 -6.683 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.542 -6.581 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.088 -5.030 -0.100 1.00 0.00 H new ATOM 264 N SER A 46 -3.408 -5.415 -1.705 1.00 0.00 N ATOM 265 CA SER A 46 -2.144 -5.840 -2.294 1.00 0.00 C ATOM 266 C SER A 46 -0.992 -5.623 -1.318 1.00 0.00 C ATOM 267 O SER A 46 0.004 -6.345 -1.348 1.00 0.00 O ATOM 268 CB SER A 46 -1.880 -5.075 -3.592 1.00 0.00 C ATOM 269 OG SER A 46 -2.370 -5.788 -4.714 1.00 0.00 O ATOM 0 H SER A 46 -3.881 -4.668 -2.214 1.00 0.00 H new ATOM 0 HA SER A 46 -2.213 -6.905 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.356 -4.096 -3.544 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.810 -4.904 -3.705 1.00 0.00 H new ATOM 0 HG SER A 46 -2.190 -5.277 -5.530 1.00 0.00 H new ATOM 275 N ALA A 47 -1.135 -4.623 -0.454 1.00 0.00 N ATOM 276 CA ALA A 47 -0.107 -4.311 0.531 1.00 0.00 C ATOM 277 C ALA A 47 -0.145 -5.296 1.695 1.00 0.00 C ATOM 278 O ALA A 47 -0.489 -4.933 2.820 1.00 0.00 O ATOM 279 CB ALA A 47 -0.276 -2.885 1.036 1.00 0.00 C ATOM 0 H ALA A 47 -1.953 -4.015 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 47 0.865 -4.400 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.498 -2.665 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.191 -2.191 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.257 -2.777 1.499 1.00 0.00 H new ATOM 285 N GLY A 48 0.213 -6.545 1.416 1.00 0.00 N ATOM 286 CA GLY A 48 0.215 -7.565 2.448 1.00 0.00 C ATOM 287 C GLY A 48 0.729 -8.899 1.942 1.00 0.00 C ATOM 288 O GLY A 48 0.257 -9.407 0.924 1.00 0.00 O ATOM 0 H GLY A 48 0.502 -6.869 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.834 -7.233 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.797 -7.691 2.832 1.00 0.00 H new ATOM 292 N LEU A 49 1.698 -9.467 2.652 1.00 0.00 N ATOM 293 CA LEU A 49 2.275 -10.750 2.267 1.00 0.00 C ATOM 294 C LEU A 49 1.375 -11.905 2.704 1.00 0.00 C ATOM 295 O LEU A 49 0.842 -11.898 3.813 1.00 0.00 O ATOM 296 CB LEU A 49 3.667 -10.913 2.881 1.00 0.00 C ATOM 297 CG LEU A 49 4.719 -9.921 2.379 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.785 -9.937 0.859 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.414 -8.520 2.887 1.00 0.00 C ATOM 0 H LEU A 49 2.100 -9.060 3.496 1.00 0.00 H new ATOM 0 HA LEU A 49 2.360 -10.770 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.584 -10.813 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.019 -11.925 2.680 1.00 0.00 H new ATOM 0 HG LEU A 49 5.692 -10.223 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.538 -9.226 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.051 -10.937 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.814 -9.659 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.172 -7.827 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.433 -8.208 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.418 -8.519 3.977 1.00 0.00 H new ATOM 311 N PRO A 50 1.192 -12.916 1.835 1.00 0.00 N ATOM 312 CA PRO A 50 0.351 -14.077 2.143 1.00 0.00 C ATOM 313 C PRO A 50 0.824 -14.822 3.389 1.00 0.00 C ATOM 314 O PRO A 50 0.254 -14.665 4.468 1.00 0.00 O ATOM 315 CB PRO A 50 0.474 -14.965 0.897 1.00 0.00 C ATOM 316 CG PRO A 50 1.688 -14.475 0.182 1.00 0.00 C ATOM 317 CD PRO A 50 1.786 -13.010 0.492 1.00 0.00 C ATOM 0 HA PRO A 50 -0.676 -13.784 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.576 -16.015 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.412 -14.884 0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.579 -15.005 0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.603 -14.642 -0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.819 -12.664 0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.241 -12.406 -0.234 1.00 0.00 H new ATOM 325 N ARG A 51 1.867 -15.634 3.237 1.00 0.00 N ATOM 326 CA ARG A 51 2.406 -16.398 4.357 1.00 0.00 C ATOM 327 C ARG A 51 3.912 -16.598 4.214 1.00 0.00 C ATOM 328 O ARG A 51 4.699 -16.020 4.962 1.00 0.00 O ATOM 329 CB ARG A 51 1.707 -17.755 4.458 1.00 0.00 C ATOM 330 CG ARG A 51 2.153 -18.582 5.653 1.00 0.00 C ATOM 331 CD ARG A 51 2.204 -20.065 5.320 1.00 0.00 C ATOM 332 NE ARG A 51 1.439 -20.866 6.273 1.00 0.00 N ATOM 333 CZ ARG A 51 1.106 -22.139 6.072 1.00 0.00 C ATOM 334 NH1 ARG A 51 1.466 -22.759 4.955 1.00 0.00 N ATOM 335 NH2 ARG A 51 0.410 -22.794 6.991 1.00 0.00 N ATOM 0 H ARG A 51 2.354 -15.779 2.352 1.00 0.00 H new ATOM 0 HA ARG A 51 2.222 -15.831 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.630 -17.596 4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.895 -18.320 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.138 -18.248 5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.468 -18.419 6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.812 -20.225 4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.241 -20.400 5.315 1.00 0.00 H new ATOM 0 HE ARG A 51 1.143 -20.424 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.001 -22.260 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.208 -23.735 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.130 -22.322 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.154 -23.769 6.838 1.00 0.00 H new ATOM 349 N ASP A 52 4.305 -17.426 3.250 1.00 0.00 N ATOM 350 CA ASP A 52 5.715 -17.709 3.011 1.00 0.00 C ATOM 351 C ASP A 52 6.475 -16.444 2.626 1.00 0.00 C ATOM 352 O ASP A 52 7.661 -16.307 2.924 1.00 0.00 O ATOM 353 CB ASP A 52 5.864 -18.761 1.910 1.00 0.00 C ATOM 354 CG ASP A 52 5.152 -20.056 2.248 1.00 0.00 C ATOM 355 OD1 ASP A 52 5.450 -20.637 3.313 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.296 -20.488 1.448 1.00 0.00 O ATOM 0 H ASP A 52 3.665 -17.913 2.622 1.00 0.00 H new ATOM 0 HA ASP A 52 6.141 -18.094 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.467 -18.364 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.922 -18.964 1.746 1.00 0.00 H new ATOM 361 N GLN A 53 5.787 -15.522 1.960 1.00 0.00 N ATOM 362 CA GLN A 53 6.401 -14.270 1.533 1.00 0.00 C ATOM 363 C GLN A 53 6.973 -13.506 2.725 1.00 0.00 C ATOM 364 O GLN A 53 8.017 -12.862 2.618 1.00 0.00 O ATOM 365 CB GLN A 53 5.380 -13.403 0.793 1.00 0.00 C ATOM 366 CG GLN A 53 5.518 -13.462 -0.720 1.00 0.00 C ATOM 367 CD GLN A 53 4.655 -12.435 -1.426 1.00 0.00 C ATOM 368 OE1 GLN A 53 5.053 -11.282 -1.596 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.464 -12.850 -1.844 1.00 0.00 N ATOM 0 H GLN A 53 4.804 -15.618 1.704 1.00 0.00 H new ATOM 0 HA GLN A 53 7.221 -14.509 0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.375 -13.721 1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.488 -12.369 1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.561 -13.303 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.247 -14.459 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.174 -13.814 -1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.839 -12.204 -2.327 1.00 0.00 H new ATOM 378 N HIS A 54 6.282 -13.581 3.858 1.00 0.00 N ATOM 379 CA HIS A 54 6.724 -12.896 5.068 1.00 0.00 C ATOM 380 C HIS A 54 7.753 -13.733 5.822 1.00 0.00 C ATOM 381 O HIS A 54 8.718 -13.202 6.371 1.00 0.00 O ATOM 382 CB HIS A 54 5.530 -12.595 5.977 1.00 0.00 C ATOM 383 CG HIS A 54 5.902 -11.854 7.224 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.729 -12.380 8.194 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.557 -10.618 7.657 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.878 -11.501 9.169 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.178 -10.423 8.867 1.00 0.00 N ATOM 0 H HIS A 54 5.415 -14.108 3.964 1.00 0.00 H new ATOM 0 HA HIS A 54 7.191 -11.957 4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.798 -12.010 5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.047 -13.533 6.251 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.914 -9.917 7.146 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.471 -11.640 10.061 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.109 -9.582 9.439 1.00 0.00 H new ATOM 396 N GLU A 55 7.537 -15.044 5.846 1.00 0.00 N ATOM 397 CA GLU A 55 8.442 -15.958 6.535 1.00 0.00 C ATOM 398 C GLU A 55 9.854 -15.883 5.959 1.00 0.00 C ATOM 399 O GLU A 55 10.816 -16.300 6.602 1.00 0.00 O ATOM 400 CB GLU A 55 7.918 -17.391 6.441 1.00 0.00 C ATOM 401 CG GLU A 55 8.509 -18.326 7.485 1.00 0.00 C ATOM 402 CD GLU A 55 9.421 -19.376 6.881 1.00 0.00 C ATOM 403 OE1 GLU A 55 10.565 -19.031 6.519 1.00 0.00 O ATOM 404 OE2 GLU A 55 8.991 -20.543 6.772 1.00 0.00 O ATOM 0 H GLU A 55 6.742 -15.498 5.396 1.00 0.00 H new ATOM 0 HA GLU A 55 8.486 -15.657 7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.833 -17.380 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.136 -17.784 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.069 -17.741 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.700 -18.820 8.024 1.00 0.00 H new ATOM 411 N PHE A 56 9.974 -15.358 4.743 1.00 0.00 N ATOM 412 CA PHE A 56 11.272 -15.240 4.090 1.00 0.00 C ATOM 413 C PHE A 56 11.843 -13.833 4.256 1.00 0.00 C ATOM 414 O PHE A 56 12.998 -13.665 4.639 1.00 0.00 O ATOM 415 CB PHE A 56 11.143 -15.598 2.600 1.00 0.00 C ATOM 416 CG PHE A 56 12.082 -14.845 1.696 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.454 -14.916 1.883 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.591 -14.066 0.660 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.316 -14.223 1.056 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.450 -13.372 -0.170 1.00 0.00 C ATOM 421 CZ PHE A 56 13.814 -13.451 0.029 1.00 0.00 C ATOM 0 H PHE A 56 9.190 -15.009 4.192 1.00 0.00 H new ATOM 0 HA PHE A 56 11.962 -15.938 4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.320 -16.667 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.119 -15.407 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.853 -15.520 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.525 -14.001 0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.383 -14.285 1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.055 -12.768 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.487 -12.909 -0.619 1.00 0.00 H new ATOM 431 N VAL A 57 11.032 -12.829 3.950 1.00 0.00 N ATOM 432 CA VAL A 57 11.461 -11.437 4.047 1.00 0.00 C ATOM 433 C VAL A 57 11.661 -10.987 5.495 1.00 0.00 C ATOM 434 O VAL A 57 12.180 -9.898 5.740 1.00 0.00 O ATOM 435 CB VAL A 57 10.450 -10.494 3.365 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.099 -10.557 4.062 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.981 -9.067 3.339 1.00 0.00 C ATOM 0 H VAL A 57 10.071 -12.951 3.632 1.00 0.00 H new ATOM 0 HA VAL A 57 12.421 -11.381 3.534 1.00 0.00 H new ATOM 0 HB VAL A 57 10.314 -10.825 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.401 -9.884 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.714 -11.576 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.213 -10.257 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.253 -8.417 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.151 -8.723 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.919 -9.038 2.785 1.00 0.00 H new ATOM 447 N SER A 58 11.240 -11.809 6.453 1.00 0.00 N ATOM 448 CA SER A 58 11.375 -11.452 7.864 1.00 0.00 C ATOM 449 C SER A 58 12.170 -12.495 8.650 1.00 0.00 C ATOM 450 O SER A 58 12.903 -12.152 9.577 1.00 0.00 O ATOM 451 CB SER A 58 9.993 -11.275 8.495 1.00 0.00 C ATOM 452 OG SER A 58 10.056 -10.429 9.630 1.00 0.00 O ATOM 0 H SER A 58 10.807 -12.717 6.282 1.00 0.00 H new ATOM 0 HA SER A 58 11.926 -10.513 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.306 -10.854 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.594 -12.247 8.784 1.00 0.00 H new ATOM 0 HG SER A 58 9.148 -10.201 9.919 1.00 0.00 H new ATOM 458 N SER A 59 12.008 -13.765 8.296 1.00 0.00 N ATOM 459 CA SER A 59 12.702 -14.841 8.998 1.00 0.00 C ATOM 460 C SER A 59 14.001 -15.249 8.302 1.00 0.00 C ATOM 461 O SER A 59 14.786 -16.019 8.855 1.00 0.00 O ATOM 462 CB SER A 59 11.785 -16.058 9.131 1.00 0.00 C ATOM 463 OG SER A 59 11.883 -16.632 10.423 1.00 0.00 O ATOM 0 H SER A 59 11.407 -14.075 7.532 1.00 0.00 H new ATOM 0 HA SER A 59 12.964 -14.462 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.754 -15.763 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.050 -16.801 8.379 1.00 0.00 H new ATOM 0 HG SER A 59 11.286 -17.407 10.483 1.00 0.00 H new ATOM 469 N GLN A 60 14.227 -14.748 7.091 1.00 0.00 N ATOM 470 CA GLN A 60 15.437 -15.093 6.349 1.00 0.00 C ATOM 471 C GLN A 60 16.144 -13.853 5.810 1.00 0.00 C ATOM 472 O GLN A 60 17.304 -13.598 6.135 1.00 0.00 O ATOM 473 CB GLN A 60 15.096 -16.036 5.194 1.00 0.00 C ATOM 474 CG GLN A 60 14.247 -17.227 5.609 1.00 0.00 C ATOM 475 CD GLN A 60 15.060 -18.496 5.773 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.274 -18.500 5.570 1.00 0.00 O ATOM 477 NE2 GLN A 60 14.392 -19.583 6.142 1.00 0.00 N ATOM 0 H GLN A 60 13.597 -14.109 6.606 1.00 0.00 H new ATOM 0 HA GLN A 60 16.115 -15.592 7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.568 -15.476 4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.022 -16.399 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.743 -16.999 6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.470 -17.392 4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.385 -19.534 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.886 -20.467 6.268 1.00 0.00 H new ATOM 486 N ALA A 61 15.441 -13.093 4.975 1.00 0.00 N ATOM 487 CA ALA A 61 15.995 -11.883 4.372 1.00 0.00 C ATOM 488 C ALA A 61 16.771 -11.044 5.387 1.00 0.00 C ATOM 489 O ALA A 61 16.460 -11.050 6.579 1.00 0.00 O ATOM 490 CB ALA A 61 14.883 -11.056 3.745 1.00 0.00 C ATOM 0 H ALA A 61 14.480 -13.295 4.699 1.00 0.00 H new ATOM 0 HA ALA A 61 16.697 -12.191 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.306 -10.156 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.383 -11.643 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.162 -10.775 4.512 1.00 0.00 H new ATOM 496 N PRO A 62 17.796 -10.308 4.922 1.00 0.00 N ATOM 497 CA PRO A 62 18.622 -9.459 5.788 1.00 0.00 C ATOM 498 C PRO A 62 17.870 -8.227 6.280 1.00 0.00 C ATOM 499 O PRO A 62 16.864 -7.826 5.694 1.00 0.00 O ATOM 500 CB PRO A 62 19.781 -9.048 4.877 1.00 0.00 C ATOM 501 CG PRO A 62 19.219 -9.114 3.500 1.00 0.00 C ATOM 502 CD PRO A 62 18.231 -10.247 3.512 1.00 0.00 C ATOM 0 HA PRO A 62 18.935 -9.981 6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.134 -8.044 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.632 -9.720 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.734 -8.176 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.005 -9.289 2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.393 -10.057 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.689 -11.183 3.192 1.00 0.00 H new ATOM 510 N GLN A 63 18.365 -7.628 7.361 1.00 0.00 N ATOM 511 CA GLN A 63 17.738 -6.440 7.932 1.00 0.00 C ATOM 512 C GLN A 63 17.496 -5.379 6.862 1.00 0.00 C ATOM 513 O GLN A 63 16.558 -4.588 6.959 1.00 0.00 O ATOM 514 CB GLN A 63 18.610 -5.864 9.051 1.00 0.00 C ATOM 515 CG GLN A 63 19.958 -5.349 8.572 1.00 0.00 C ATOM 516 CD GLN A 63 21.117 -6.186 9.078 1.00 0.00 C ATOM 517 OE1 GLN A 63 21.121 -7.409 8.941 1.00 0.00 O ATOM 518 NE2 GLN A 63 22.109 -5.528 9.668 1.00 0.00 N ATOM 0 H GLN A 63 19.197 -7.946 7.858 1.00 0.00 H new ATOM 0 HA GLN A 63 16.774 -6.735 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.072 -5.050 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 63 18.772 -6.634 9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.972 -5.338 7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 63 20.087 -4.319 8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 63 22.064 -4.513 9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 63 22.915 -6.038 10.029 1.00 0.00 H new ATOM 527 N SER A 64 18.346 -5.370 5.839 1.00 0.00 N ATOM 528 CA SER A 64 18.220 -4.409 4.750 1.00 0.00 C ATOM 529 C SER A 64 16.890 -4.589 4.027 1.00 0.00 C ATOM 530 O SER A 64 16.200 -3.616 3.725 1.00 0.00 O ATOM 531 CB SER A 64 19.378 -4.567 3.763 1.00 0.00 C ATOM 532 OG SER A 64 19.814 -3.307 3.281 1.00 0.00 O ATOM 0 H SER A 64 19.128 -6.017 5.742 1.00 0.00 H new ATOM 0 HA SER A 64 18.253 -3.406 5.174 1.00 0.00 H new ATOM 0 HB2 SER A 64 20.207 -5.080 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.064 -5.191 2.926 1.00 0.00 H new ATOM 0 HG SER A 64 20.556 -3.436 2.653 1.00 0.00 H new ATOM 538 N LEU A 65 16.536 -5.841 3.758 1.00 0.00 N ATOM 539 CA LEU A 65 15.286 -6.152 3.074 1.00 0.00 C ATOM 540 C LEU A 65 14.093 -5.857 3.977 1.00 0.00 C ATOM 541 O LEU A 65 13.022 -5.475 3.503 1.00 0.00 O ATOM 542 CB LEU A 65 15.267 -7.620 2.643 1.00 0.00 C ATOM 543 CG LEU A 65 14.603 -7.889 1.291 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.113 -7.596 1.360 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.262 -7.058 0.200 1.00 0.00 C ATOM 0 H LEU A 65 17.097 -6.657 4.003 1.00 0.00 H new ATOM 0 HA LEU A 65 15.215 -5.523 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.293 -7.985 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.750 -8.201 3.407 1.00 0.00 H new ATOM 0 HG LEU A 65 14.733 -8.943 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.658 -7.793 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.651 -8.234 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.960 -6.550 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.778 -7.262 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.163 -5.999 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.319 -7.317 0.133 1.00 0.00 H new ATOM 557 N ARG A 66 14.287 -6.033 5.280 1.00 0.00 N ATOM 558 CA ARG A 66 13.230 -5.781 6.251 1.00 0.00 C ATOM 559 C ARG A 66 13.028 -4.283 6.450 1.00 0.00 C ATOM 560 O ARG A 66 11.913 -3.823 6.695 1.00 0.00 O ATOM 561 CB ARG A 66 13.565 -6.445 7.589 1.00 0.00 C ATOM 562 CG ARG A 66 13.884 -7.927 7.469 1.00 0.00 C ATOM 563 CD ARG A 66 14.502 -8.468 8.749 1.00 0.00 C ATOM 564 NE ARG A 66 15.103 -9.785 8.554 1.00 0.00 N ATOM 565 CZ ARG A 66 15.992 -10.324 9.384 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.389 -9.662 10.464 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.486 -11.529 9.134 1.00 0.00 N ATOM 0 H ARG A 66 15.167 -6.349 5.687 1.00 0.00 H new ATOM 0 HA ARG A 66 12.305 -6.209 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.417 -5.933 8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.723 -6.317 8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.972 -8.480 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.569 -8.087 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.261 -7.773 9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.737 -8.530 9.523 1.00 0.00 H new ATOM 0 HE ARG A 66 14.825 -10.323 7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.012 -8.735 10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.071 -10.080 11.097 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.184 -12.042 8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.168 -11.943 9.770 1.00 0.00 H new ATOM 581 N ASN A 67 14.116 -3.527 6.340 1.00 0.00 N ATOM 582 CA ASN A 67 14.061 -2.079 6.504 1.00 0.00 C ATOM 583 C ASN A 67 13.097 -1.458 5.498 1.00 0.00 C ATOM 584 O ASN A 67 12.280 -0.607 5.850 1.00 0.00 O ATOM 585 CB ASN A 67 15.456 -1.473 6.336 1.00 0.00 C ATOM 586 CG ASN A 67 16.232 -1.440 7.638 1.00 0.00 C ATOM 587 OD1 ASN A 67 17.301 -2.224 7.712 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 15.873 -0.718 8.569 1.00 0.00 N flip ATOM 0 H ASN A 67 15.046 -3.893 6.138 1.00 0.00 H new ATOM 0 HA ASN A 67 13.699 -1.863 7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.014 -2.050 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.364 -0.460 5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.045 -0.131 8.469 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.404 -0.707 9.440 1.00 0.00 H new ATOM 595 N ARG A 68 13.197 -1.892 4.246 1.00 0.00 N ATOM 596 CA ARG A 68 12.331 -1.381 3.189 1.00 0.00 C ATOM 597 C ARG A 68 10.919 -1.944 3.322 1.00 0.00 C ATOM 598 O ARG A 68 9.947 -1.316 2.901 1.00 0.00 O ATOM 599 CB ARG A 68 12.905 -1.732 1.815 1.00 0.00 C ATOM 600 CG ARG A 68 12.942 -3.225 1.533 1.00 0.00 C ATOM 601 CD ARG A 68 13.434 -3.514 0.124 1.00 0.00 C ATOM 602 NE ARG A 68 12.707 -4.620 -0.493 1.00 0.00 N ATOM 603 CZ ARG A 68 12.918 -5.045 -1.737 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.831 -4.456 -2.501 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.216 -6.061 -2.219 1.00 0.00 N ATOM 0 H ARG A 68 13.868 -2.596 3.938 1.00 0.00 H new ATOM 0 HA ARG A 68 12.281 -0.297 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.310 -1.240 1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.916 -1.332 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.594 -3.717 2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.945 -3.646 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.323 -2.620 -0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.498 -3.750 0.153 1.00 0.00 H new ATOM 0 HE ARG A 68 11.995 -5.095 0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.374 -3.674 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.989 -4.786 -3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.514 -6.517 -1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.378 -6.386 -3.172 1.00 0.00 H new ATOM 619 N TYR A 69 10.814 -3.132 3.912 1.00 0.00 N ATOM 620 CA TYR A 69 9.522 -3.783 4.103 1.00 0.00 C ATOM 621 C TYR A 69 8.563 -2.878 4.872 1.00 0.00 C ATOM 622 O TYR A 69 7.457 -2.596 4.412 1.00 0.00 O ATOM 623 CB TYR A 69 9.707 -5.107 4.849 1.00 0.00 C ATOM 624 CG TYR A 69 8.412 -5.833 5.136 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.552 -5.391 6.134 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.049 -6.962 4.411 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.369 -6.052 6.402 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.867 -7.628 4.673 1.00 0.00 C ATOM 629 CZ TYR A 69 6.031 -7.169 5.669 1.00 0.00 C ATOM 630 OH TYR A 69 4.853 -7.831 5.933 1.00 0.00 O ATOM 0 H TYR A 69 11.609 -3.663 4.266 1.00 0.00 H new ATOM 0 HA TYR A 69 9.091 -3.982 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.354 -5.757 4.261 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.221 -4.914 5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.813 -4.516 6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.701 -7.325 3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.712 -5.695 7.182 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.599 -8.504 4.101 1.00 0.00 H new ATOM 0 HH TYR A 69 4.098 -7.299 5.606 1.00 0.00 H new ATOM 640 N ASN A 70 8.994 -2.427 6.046 1.00 0.00 N ATOM 641 CA ASN A 70 8.172 -1.556 6.878 1.00 0.00 C ATOM 642 C ASN A 70 8.139 -0.138 6.315 1.00 0.00 C ATOM 643 O ASN A 70 7.142 0.570 6.451 1.00 0.00 O ATOM 644 CB ASN A 70 8.704 -1.534 8.312 1.00 0.00 C ATOM 645 CG ASN A 70 8.463 -2.843 9.038 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.479 -2.992 9.763 1.00 0.00 O ATOM 647 ND2 ASN A 70 9.362 -3.801 8.846 1.00 0.00 N ATOM 0 H ASN A 70 9.907 -2.650 6.442 1.00 0.00 H new ATOM 0 HA ASN A 70 7.156 -1.951 6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.773 -1.322 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.226 -0.723 8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.252 -4.704 9.308 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.163 -3.634 8.236 1.00 0.00 H new ATOM 654 N ASN A 71 9.235 0.268 5.683 1.00 0.00 N ATOM 655 CA ASN A 71 9.332 1.602 5.100 1.00 0.00 C ATOM 656 C ASN A 71 8.284 1.799 4.008 1.00 0.00 C ATOM 657 O ASN A 71 7.446 2.697 4.093 1.00 0.00 O ATOM 658 CB ASN A 71 10.734 1.832 4.530 1.00 0.00 C ATOM 659 CG ASN A 71 11.527 2.842 5.336 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.042 2.529 6.411 1.00 0.00 O ATOM 661 ND2 ASN A 71 11.628 4.061 4.821 1.00 0.00 N ATOM 0 H ASN A 71 10.069 -0.307 5.561 1.00 0.00 H new ATOM 0 HA ASN A 71 9.145 2.330 5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.274 0.885 4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.652 2.177 3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.149 4.783 5.319 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.185 4.275 3.928 1.00 0.00 H new ATOM 668 N LEU A 72 8.337 0.954 2.982 1.00 0.00 N ATOM 669 CA LEU A 72 7.392 1.037 1.874 1.00 0.00 C ATOM 670 C LEU A 72 5.955 0.928 2.374 1.00 0.00 C ATOM 671 O LEU A 72 5.047 1.555 1.829 1.00 0.00 O ATOM 672 CB LEU A 72 7.676 -0.064 0.848 1.00 0.00 C ATOM 673 CG LEU A 72 7.385 -1.489 1.325 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.905 -1.814 1.178 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.233 -2.490 0.552 1.00 0.00 C ATOM 0 H LEU A 72 9.024 0.205 2.895 1.00 0.00 H new ATOM 0 HA LEU A 72 7.517 2.008 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.082 0.132 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.724 -0.003 0.554 1.00 0.00 H new ATOM 0 HG LEU A 72 7.645 -1.558 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.720 -2.831 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.318 -1.116 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.616 -1.727 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.015 -3.499 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.003 -2.417 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.289 -2.271 0.710 1.00 0.00 H new ATOM 687 N TYR A 73 5.757 0.129 3.418 1.00 0.00 N ATOM 688 CA TYR A 73 4.430 -0.060 3.991 1.00 0.00 C ATOM 689 C TYR A 73 4.051 1.113 4.890 1.00 0.00 C ATOM 690 O TYR A 73 2.871 1.422 5.057 1.00 0.00 O ATOM 691 CB TYR A 73 4.373 -1.366 4.785 1.00 0.00 C ATOM 692 CG TYR A 73 2.966 -1.864 5.028 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.014 -1.831 4.016 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.589 -2.366 6.267 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.726 -2.285 4.232 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.304 -2.822 6.491 1.00 0.00 C ATOM 697 CZ TYR A 73 0.377 -2.779 5.471 1.00 0.00 C ATOM 698 OH TYR A 73 -0.904 -3.232 5.691 1.00 0.00 O ATOM 0 H TYR A 73 6.497 -0.397 3.883 1.00 0.00 H new ATOM 0 HA TYR A 73 3.714 -0.111 3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.934 -2.132 4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.869 -1.220 5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.285 -1.444 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.312 -2.400 7.068 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.002 -2.253 3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.027 -3.210 7.460 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.985 -3.548 6.615 1.00 0.00 H new ATOM 708 N SER A 74 5.058 1.766 5.466 1.00 0.00 N ATOM 709 CA SER A 74 4.825 2.907 6.344 1.00 0.00 C ATOM 710 C SER A 74 3.971 3.961 5.647 1.00 0.00 C ATOM 711 O SER A 74 2.996 4.460 6.210 1.00 0.00 O ATOM 712 CB SER A 74 6.155 3.520 6.786 1.00 0.00 C ATOM 713 OG SER A 74 6.105 3.920 8.144 1.00 0.00 O ATOM 0 H SER A 74 6.041 1.524 5.340 1.00 0.00 H new ATOM 0 HA SER A 74 4.289 2.553 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.957 2.796 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.389 4.380 6.159 1.00 0.00 H new ATOM 0 HG SER A 74 6.967 4.307 8.403 1.00 0.00 H new ATOM 719 N HIS A 75 4.340 4.289 4.413 1.00 0.00 N ATOM 720 CA HIS A 75 3.603 5.276 3.635 1.00 0.00 C ATOM 721 C HIS A 75 2.291 4.687 3.129 1.00 0.00 C ATOM 722 O HIS A 75 1.294 5.396 2.988 1.00 0.00 O ATOM 723 CB HIS A 75 4.448 5.762 2.456 1.00 0.00 C ATOM 724 CG HIS A 75 5.851 6.120 2.835 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.205 7.359 3.327 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.994 5.394 2.794 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.504 7.379 3.571 1.00 0.00 C ATOM 728 NE2 HIS A 75 8.005 6.199 3.256 1.00 0.00 N ATOM 0 H HIS A 75 5.144 3.886 3.932 1.00 0.00 H new ATOM 0 HA HIS A 75 3.378 6.124 4.281 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.473 4.985 1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.967 6.632 2.009 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.092 4.372 2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.061 8.218 3.962 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.985 5.929 3.342 1.00 0.00 H new ATOM 737 N THR A 76 2.297 3.384 2.861 1.00 0.00 N ATOM 738 CA THR A 76 1.106 2.698 2.374 1.00 0.00 C ATOM 739 C THR A 76 -0.014 2.747 3.409 1.00 0.00 C ATOM 740 O THR A 76 -1.163 3.044 3.081 1.00 0.00 O ATOM 741 CB THR A 76 1.432 1.244 2.033 1.00 0.00 C ATOM 742 OG1 THR A 76 2.503 1.174 1.108 1.00 0.00 O ATOM 743 CG2 THR A 76 0.260 0.495 1.437 1.00 0.00 C ATOM 0 H THR A 76 3.114 2.783 2.973 1.00 0.00 H new ATOM 0 HA THR A 76 0.768 3.210 1.473 1.00 0.00 H new ATOM 0 HB THR A 76 1.699 0.776 2.981 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.327 1.484 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.557 -0.530 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.567 0.489 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.056 0.986 0.517 1.00 0.00 H new ATOM 751 N GLN A 77 0.327 2.451 4.660 1.00 0.00 N ATOM 752 CA GLN A 77 -0.654 2.460 5.740 1.00 0.00 C ATOM 753 C GLN A 77 -1.213 3.863 5.958 1.00 0.00 C ATOM 754 O GLN A 77 -2.370 4.027 6.344 1.00 0.00 O ATOM 755 CB GLN A 77 -0.031 1.933 7.035 1.00 0.00 C ATOM 756 CG GLN A 77 1.114 2.787 7.556 1.00 0.00 C ATOM 757 CD GLN A 77 1.057 2.986 9.058 1.00 0.00 C ATOM 758 OE1 GLN A 77 0.974 2.023 9.822 1.00 0.00 O ATOM 759 NE2 GLN A 77 1.101 4.241 9.491 1.00 0.00 N ATOM 0 H GLN A 77 1.273 2.203 4.950 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.476 1.804 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.804 1.872 7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.332 0.919 6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.062 2.318 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.091 3.759 7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.170 5.009 8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.066 4.437 10.491 1.00 0.00 H new ATOM 768 N ARG A 78 -0.386 4.873 5.706 1.00 0.00 N ATOM 769 CA ARG A 78 -0.801 6.259 5.872 1.00 0.00 C ATOM 770 C ARG A 78 -1.623 6.719 4.670 1.00 0.00 C ATOM 771 O ARG A 78 -2.722 7.253 4.825 1.00 0.00 O ATOM 772 CB ARG A 78 0.428 7.155 6.053 1.00 0.00 C ATOM 773 CG ARG A 78 0.120 8.644 6.015 1.00 0.00 C ATOM 774 CD ARG A 78 0.323 9.296 7.374 1.00 0.00 C ATOM 775 NE ARG A 78 -0.391 8.586 8.435 1.00 0.00 N ATOM 776 CZ ARG A 78 -0.489 9.029 9.686 1.00 0.00 C ATOM 777 NH1 ARG A 78 0.086 10.172 10.040 1.00 0.00 N ATOM 778 NH2 ARG A 78 -1.162 8.325 10.587 1.00 0.00 N ATOM 0 H ARG A 78 0.575 4.756 5.386 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.425 6.334 6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.901 6.917 7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.151 6.924 5.271 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.761 9.129 5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.909 8.794 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.387 9.322 7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.020 10.330 7.335 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.840 7.700 8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.606 10.716 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.007 10.506 11.000 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.604 7.445 10.321 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.238 8.664 11.546 1.00 0.00 H new ATOM 792 N THR A 79 -1.082 6.507 3.475 1.00 0.00 N ATOM 793 CA THR A 79 -1.763 6.897 2.244 1.00 0.00 C ATOM 794 C THR A 79 -3.177 6.326 2.199 1.00 0.00 C ATOM 795 O THR A 79 -4.092 6.947 1.658 1.00 0.00 O ATOM 796 CB THR A 79 -0.969 6.424 1.026 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.607 5.062 1.160 1.00 0.00 O ATOM 798 CG2 THR A 79 0.299 7.218 0.796 1.00 0.00 C ATOM 0 H THR A 79 -0.173 6.067 3.332 1.00 0.00 H new ATOM 0 HA THR A 79 -1.830 7.985 2.224 1.00 0.00 H new ATOM 0 HB THR A 79 -1.631 6.572 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.175 4.988 1.746 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.816 6.832 -0.083 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.048 8.267 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.948 7.128 1.667 1.00 0.00 H new ATOM 806 N LEU A 80 -3.349 5.141 2.777 1.00 0.00 N ATOM 807 CA LEU A 80 -4.652 4.489 2.810 1.00 0.00 C ATOM 808 C LEU A 80 -5.585 5.203 3.783 1.00 0.00 C ATOM 809 O LEU A 80 -6.801 5.226 3.590 1.00 0.00 O ATOM 810 CB LEU A 80 -4.502 3.020 3.213 1.00 0.00 C ATOM 811 CG LEU A 80 -3.874 2.115 2.152 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.362 0.830 2.783 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.879 1.810 1.055 1.00 0.00 C ATOM 0 H LEU A 80 -2.602 4.613 3.229 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.085 4.539 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.896 2.968 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.487 2.627 3.466 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.027 2.638 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.919 0.198 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.610 1.068 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.190 0.301 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.417 1.165 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.745 1.306 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.198 2.740 0.585 1.00 0.00 H new ATOM 825 N ASP A 81 -5.006 5.789 4.827 1.00 0.00 N ATOM 826 CA ASP A 81 -5.782 6.509 5.830 1.00 0.00 C ATOM 827 C ASP A 81 -6.460 7.727 5.212 1.00 0.00 C ATOM 828 O ASP A 81 -7.665 7.926 5.367 1.00 0.00 O ATOM 829 CB ASP A 81 -4.882 6.941 6.988 1.00 0.00 C ATOM 830 CG ASP A 81 -5.571 6.819 8.333 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.439 7.666 8.634 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.244 5.877 9.085 1.00 0.00 O ATOM 0 H ASP A 81 -4.001 5.779 5.000 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.552 5.839 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.978 6.331 6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.569 7.974 6.836 1.00 0.00 H new ATOM 837 N MET A 82 -5.677 8.538 4.504 1.00 0.00 N ATOM 838 CA MET A 82 -6.201 9.735 3.854 1.00 0.00 C ATOM 839 C MET A 82 -7.353 9.380 2.922 1.00 0.00 C ATOM 840 O MET A 82 -8.262 10.183 2.709 1.00 0.00 O ATOM 841 CB MET A 82 -5.091 10.444 3.076 1.00 0.00 C ATOM 842 CG MET A 82 -4.105 11.189 3.962 1.00 0.00 C ATOM 843 SD MET A 82 -2.414 11.110 3.341 1.00 0.00 S ATOM 844 CE MET A 82 -2.650 11.623 1.641 1.00 0.00 C ATOM 0 H MET A 82 -4.678 8.387 4.366 1.00 0.00 H new ATOM 0 HA MET A 82 -6.576 10.408 4.625 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.549 9.708 2.482 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.542 11.148 2.377 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.410 12.232 4.041 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.138 10.770 4.968 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.841 12.292 1.347 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.650 10.746 0.993 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.603 12.143 1.547 1.00 0.00 H new ATOM 854 N ALA A 83 -7.316 8.168 2.377 1.00 0.00 N ATOM 855 CA ALA A 83 -8.366 7.706 1.480 1.00 0.00 C ATOM 856 C ALA A 83 -9.710 7.696 2.196 1.00 0.00 C ATOM 857 O ALA A 83 -10.719 8.143 1.654 1.00 0.00 O ATOM 858 CB ALA A 83 -8.037 6.321 0.946 1.00 0.00 C ATOM 0 H ALA A 83 -6.571 7.490 2.541 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.429 8.394 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.832 5.991 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.094 6.356 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.949 5.622 1.778 1.00 0.00 H new ATOM 864 N ASP A 84 -9.707 7.192 3.428 1.00 0.00 N ATOM 865 CA ASP A 84 -10.919 7.130 4.236 1.00 0.00 C ATOM 866 C ASP A 84 -11.091 8.414 5.043 1.00 0.00 C ATOM 867 O ASP A 84 -11.331 8.376 6.250 1.00 0.00 O ATOM 868 CB ASP A 84 -10.870 5.921 5.173 1.00 0.00 C ATOM 869 CG ASP A 84 -12.201 5.200 5.258 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.609 4.586 4.249 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.836 5.249 6.333 1.00 0.00 O ATOM 0 H ASP A 84 -8.876 6.820 3.888 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.774 7.023 3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.105 5.226 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.573 6.249 6.169 1.00 0.00 H new ATOM 876 N MET A 85 -10.961 9.550 4.365 1.00 0.00 N ATOM 877 CA MET A 85 -11.094 10.849 5.014 1.00 0.00 C ATOM 878 C MET A 85 -12.052 11.754 4.244 1.00 0.00 C ATOM 879 O MET A 85 -12.846 12.480 4.837 1.00 0.00 O ATOM 880 CB MET A 85 -9.726 11.522 5.136 1.00 0.00 C ATOM 881 CG MET A 85 -9.735 12.765 6.012 1.00 0.00 C ATOM 882 SD MET A 85 -8.422 12.757 7.249 1.00 0.00 S ATOM 883 CE MET A 85 -7.011 12.302 6.243 1.00 0.00 C ATOM 0 H MET A 85 -10.763 9.597 3.365 1.00 0.00 H new ATOM 0 HA MET A 85 -11.504 10.686 6.011 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.013 10.805 5.544 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.373 11.792 4.141 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.630 13.649 5.382 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.700 12.844 6.513 1.00 0.00 H new ATOM 0 HE1 MET A 85 -6.166 12.944 6.491 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.746 11.262 6.436 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.262 12.422 5.189 1.00 0.00 H new ATOM 893 N GLN A 86 -11.966 11.712 2.919 1.00 0.00 N ATOM 894 CA GLN A 86 -12.824 12.534 2.069 1.00 0.00 C ATOM 895 C GLN A 86 -14.303 12.210 2.285 1.00 0.00 C ATOM 896 O GLN A 86 -15.171 13.039 2.012 1.00 0.00 O ATOM 897 CB GLN A 86 -12.457 12.335 0.595 1.00 0.00 C ATOM 898 CG GLN A 86 -13.409 13.025 -0.372 1.00 0.00 C ATOM 899 CD GLN A 86 -14.276 12.044 -1.138 1.00 0.00 C ATOM 900 OE1 GLN A 86 -15.063 11.302 -0.550 1.00 0.00 O ATOM 901 NE2 GLN A 86 -14.134 12.035 -2.458 1.00 0.00 N ATOM 0 H GLN A 86 -11.312 11.118 2.409 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.662 13.576 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.448 12.711 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.440 11.268 0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -14.048 13.713 0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.833 13.623 -1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.469 12.668 -2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.689 11.396 -3.026 1.00 0.00 H new ATOM 910 N HIS A 87 -14.587 11.002 2.764 1.00 0.00 N ATOM 911 CA HIS A 87 -15.965 10.576 3.002 1.00 0.00 C ATOM 912 C HIS A 87 -16.613 11.383 4.125 1.00 0.00 C ATOM 913 O HIS A 87 -16.843 10.869 5.218 1.00 0.00 O ATOM 914 CB HIS A 87 -16.015 9.085 3.339 1.00 0.00 C ATOM 915 CG HIS A 87 -15.171 8.237 2.440 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.868 7.902 2.732 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.450 7.651 1.250 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.381 7.148 1.764 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.320 6.981 0.853 1.00 0.00 N ATOM 0 H HIS A 87 -13.883 10.301 2.995 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.527 10.755 2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.689 8.943 4.369 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.048 8.743 3.282 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -13.358 8.191 3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.386 7.702 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.383 6.737 1.725 1.00 0.00 H new ATOM 1110 N LEU A 101 -6.723 17.243 -0.635 1.00 0.00 N ATOM 1111 CA LEU A 101 -7.324 16.756 -1.871 1.00 0.00 C ATOM 1112 C LEU A 101 -7.251 15.230 -1.944 1.00 0.00 C ATOM 1113 O LEU A 101 -6.192 14.642 -1.733 1.00 0.00 O ATOM 1114 CB LEU A 101 -6.638 17.377 -3.085 1.00 0.00 C ATOM 1115 CG LEU A 101 -6.204 18.835 -2.914 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -4.703 18.979 -3.117 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -6.962 19.736 -3.879 1.00 0.00 C ATOM 0 HA LEU A 101 -8.373 17.052 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.760 16.780 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.315 17.314 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.442 19.143 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.417 20.023 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.176 18.368 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.438 18.649 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.640 20.768 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.758 19.425 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.032 19.661 -3.683 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.390 14.569 -2.224 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.473 13.100 -2.297 1.00 0.00 C ATOM 1131 C PRO A 102 -7.427 12.465 -3.211 1.00 0.00 C ATOM 1132 O PRO A 102 -6.886 11.405 -2.895 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.882 12.861 -2.841 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.655 14.041 -2.370 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.704 15.198 -2.467 1.00 0.00 C ATOM 0 HA PRO A 102 -8.280 12.644 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.883 12.791 -3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.304 11.930 -2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.539 14.205 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.002 13.901 -1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.748 15.676 -3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.927 15.967 -1.727 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.145 13.101 -4.342 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.163 12.567 -5.282 1.00 0.00 C ATOM 1145 C HIS A 103 -4.791 12.417 -4.624 1.00 0.00 C ATOM 1146 O HIS A 103 -3.936 11.682 -5.117 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.069 13.451 -6.531 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.211 14.669 -6.360 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -5.126 15.370 -5.177 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -4.394 15.305 -7.233 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -4.294 16.386 -5.329 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -3.836 16.368 -6.567 1.00 0.00 N ATOM 0 H HIS A 103 -7.577 13.979 -4.630 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.499 11.576 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.675 12.856 -7.355 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.073 13.765 -6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.215 15.028 -8.261 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.033 17.108 -4.569 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.175 17.035 -6.964 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.588 13.113 -3.507 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.323 13.045 -2.789 1.00 0.00 C ATOM 1163 C GLU A 104 -3.051 11.622 -2.315 1.00 0.00 C ATOM 1164 O GLU A 104 -1.948 11.102 -2.480 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.338 13.999 -1.593 1.00 0.00 C ATOM 1166 CG GLU A 104 -3.585 15.450 -1.975 1.00 0.00 C ATOM 1167 CD GLU A 104 -2.305 16.259 -2.048 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -1.816 16.695 -0.984 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.790 16.456 -3.168 1.00 0.00 O ATOM 0 H GLU A 104 -5.283 13.728 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.527 13.344 -3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.111 13.680 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.385 13.927 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.089 15.487 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.257 15.904 -1.247 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.067 10.997 -1.729 1.00 0.00 N ATOM 1177 CA ASN A 105 -3.943 9.632 -1.232 1.00 0.00 C ATOM 1178 C ASN A 105 -3.946 8.634 -2.384 1.00 0.00 C ATOM 1179 O ASN A 105 -3.324 7.575 -2.302 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.085 9.315 -0.263 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.448 9.591 -0.865 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -6.881 8.905 -1.789 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.131 10.601 -0.340 1.00 0.00 N ATOM 0 H ASN A 105 -4.986 11.415 -1.587 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.994 9.547 -0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.027 8.267 0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.964 9.909 0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.055 10.835 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.732 11.143 0.426 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.651 8.980 -3.456 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.737 8.116 -4.628 1.00 0.00 C ATOM 1192 C VAL A 106 -3.367 7.925 -5.271 1.00 0.00 C ATOM 1193 O VAL A 106 -2.818 6.823 -5.271 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.707 8.693 -5.677 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.873 7.734 -6.846 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.055 9.008 -5.045 1.00 0.00 C ATOM 0 H VAL A 106 -5.172 9.853 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.112 7.152 -4.286 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.282 9.621 -6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.562 8.163 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.905 7.565 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.271 6.786 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.726 9.414 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.485 8.096 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.921 9.740 -4.248 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.819 9.007 -5.819 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.512 8.962 -6.467 1.00 0.00 C ATOM 1208 C ASP A 107 -0.466 8.340 -5.546 1.00 0.00 C ATOM 1209 O ASP A 107 0.387 7.570 -5.989 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.077 10.372 -6.878 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.627 10.439 -8.325 1.00 0.00 C ATOM 1212 OD1 ASP A 107 0.577 10.232 -8.583 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -1.480 10.697 -9.200 1.00 0.00 O ATOM 0 H ASP A 107 -3.261 9.926 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.596 8.340 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.905 11.064 -6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.263 10.701 -6.232 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.539 8.678 -4.263 1.00 0.00 N ATOM 1219 CA ASP A 108 0.400 8.151 -3.282 1.00 0.00 C ATOM 1220 C ASP A 108 0.199 6.652 -3.088 1.00 0.00 C ATOM 1221 O ASP A 108 1.159 5.909 -2.878 1.00 0.00 O ATOM 1222 CB ASP A 108 0.240 8.879 -1.946 1.00 0.00 C ATOM 1223 CG ASP A 108 1.557 9.033 -1.211 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.363 8.080 -1.233 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.780 10.105 -0.611 1.00 0.00 O ATOM 0 H ASP A 108 -1.238 9.314 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 108 1.410 8.318 -3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.192 9.864 -2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.462 8.330 -1.318 1.00 0.00 H new ATOM 1230 N MET A 109 -1.053 6.210 -3.166 1.00 0.00 N ATOM 1231 CA MET A 109 -1.367 4.795 -3.004 1.00 0.00 C ATOM 1232 C MET A 109 -0.676 3.973 -4.084 1.00 0.00 C ATOM 1233 O MET A 109 -0.099 2.921 -3.807 1.00 0.00 O ATOM 1234 CB MET A 109 -2.880 4.570 -3.054 1.00 0.00 C ATOM 1235 CG MET A 109 -3.427 3.868 -1.822 1.00 0.00 C ATOM 1236 SD MET A 109 -4.174 5.011 -0.646 1.00 0.00 S ATOM 1237 CE MET A 109 -5.694 5.419 -1.499 1.00 0.00 C ATOM 0 H MET A 109 -1.861 6.807 -3.339 1.00 0.00 H new ATOM 0 HA MET A 109 -1.002 4.471 -2.029 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.379 5.532 -3.166 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.123 3.980 -3.937 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.169 3.131 -2.128 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.621 3.323 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.971 6.449 -1.276 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.550 5.307 -2.574 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.488 4.750 -1.168 1.00 0.00 H new ATOM 1247 N ARG A 110 -0.729 4.469 -5.315 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.099 3.790 -6.439 1.00 0.00 C ATOM 1249 C ARG A 110 1.403 3.665 -6.207 1.00 0.00 C ATOM 1250 O ARG A 110 2.039 2.726 -6.683 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.366 4.549 -7.740 1.00 0.00 C ATOM 1252 CG ARG A 110 -1.799 5.039 -7.875 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.352 4.777 -9.267 1.00 0.00 C ATOM 1254 NE ARG A 110 -3.542 5.578 -9.543 1.00 0.00 N ATOM 1255 CZ ARG A 110 -4.197 5.555 -10.702 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -3.781 4.775 -11.692 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -5.272 6.315 -10.871 1.00 0.00 N ATOM 0 H ARG A 110 -1.202 5.339 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.528 2.791 -6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.308 5.403 -7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.131 3.900 -8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.425 4.541 -7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.840 6.107 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.585 4.999 -10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.596 3.719 -9.367 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.891 6.190 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.956 4.189 -11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.287 4.762 -12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.596 6.916 -10.113 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.774 6.298 -11.759 1.00 0.00 H new ATOM 1271 N SER A 111 1.960 4.616 -5.462 1.00 0.00 N ATOM 1272 CA SER A 111 3.385 4.610 -5.155 1.00 0.00 C ATOM 1273 C SER A 111 3.761 3.335 -4.410 1.00 0.00 C ATOM 1274 O SER A 111 4.767 2.694 -4.715 1.00 0.00 O ATOM 1275 CB SER A 111 3.754 5.835 -4.316 1.00 0.00 C ATOM 1276 OG SER A 111 5.159 6.011 -4.261 1.00 0.00 O ATOM 0 H SER A 111 1.445 5.400 -5.060 1.00 0.00 H new ATOM 0 HA SER A 111 3.940 4.646 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.289 6.724 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.359 5.721 -3.307 1.00 0.00 H new ATOM 0 HG SER A 111 5.369 6.801 -3.720 1.00 0.00 H new ATOM 1282 N ALA A 112 2.938 2.967 -3.433 1.00 0.00 N ATOM 1283 CA ALA A 112 3.178 1.763 -2.648 1.00 0.00 C ATOM 1284 C ALA A 112 3.243 0.533 -3.546 1.00 0.00 C ATOM 1285 O ALA A 112 4.035 -0.378 -3.310 1.00 0.00 O ATOM 1286 CB ALA A 112 2.093 1.595 -1.594 1.00 0.00 C ATOM 0 H ALA A 112 2.101 3.485 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 112 4.140 1.868 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.285 0.692 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.094 2.459 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.122 1.514 -2.082 1.00 0.00 H new ATOM 1292 N ILE A 113 2.404 0.515 -4.577 1.00 0.00 N ATOM 1293 CA ILE A 113 2.369 -0.604 -5.510 1.00 0.00 C ATOM 1294 C ILE A 113 3.700 -0.742 -6.245 1.00 0.00 C ATOM 1295 O ILE A 113 4.117 -1.846 -6.585 1.00 0.00 O ATOM 1296 CB ILE A 113 1.208 -0.459 -6.524 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.466 -1.788 -6.676 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.703 0.032 -7.881 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.588 -2.016 -5.615 1.00 0.00 C ATOM 0 H ILE A 113 1.741 1.261 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 113 2.198 -1.509 -4.928 1.00 0.00 H new ATOM 0 HB ILE A 113 0.519 0.290 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.005 -1.821 -7.658 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.188 -2.604 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.859 0.121 -8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.180 1.005 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.424 -0.679 -8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.073 -2.977 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.120 -2.015 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.331 -1.220 -5.664 1.00 0.00 H new ATOM 1311 N THR A 114 4.368 0.383 -6.479 1.00 0.00 N ATOM 1312 CA THR A 114 5.656 0.368 -7.162 1.00 0.00 C ATOM 1313 C THR A 114 6.645 -0.483 -6.381 1.00 0.00 C ATOM 1314 O THR A 114 7.255 -1.406 -6.921 1.00 0.00 O ATOM 1315 CB THR A 114 6.205 1.787 -7.320 1.00 0.00 C ATOM 1316 OG1 THR A 114 6.773 2.245 -6.106 1.00 0.00 O ATOM 1317 CG2 THR A 114 5.160 2.793 -7.749 1.00 0.00 C ATOM 0 H THR A 114 4.041 1.310 -6.208 1.00 0.00 H new ATOM 0 HA THR A 114 5.514 -0.059 -8.155 1.00 0.00 H new ATOM 0 HB THR A 114 6.958 1.716 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 114 6.122 2.801 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.619 3.777 -7.841 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.742 2.496 -8.711 1.00 0.00 H new ATOM 0 HG23 THR A 114 4.365 2.832 -7.004 1.00 0.00 H new ATOM 1325 N ASP A 115 6.782 -0.173 -5.097 1.00 0.00 N ATOM 1326 CA ASP A 115 7.680 -0.915 -4.224 1.00 0.00 C ATOM 1327 C ASP A 115 7.125 -2.311 -3.964 1.00 0.00 C ATOM 1328 O ASP A 115 7.837 -3.308 -4.089 1.00 0.00 O ATOM 1329 CB ASP A 115 7.872 -0.172 -2.902 1.00 0.00 C ATOM 1330 CG ASP A 115 9.289 -0.284 -2.374 1.00 0.00 C ATOM 1331 OD1 ASP A 115 10.201 0.309 -2.989 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.488 -0.965 -1.347 1.00 0.00 O ATOM 0 H ASP A 115 6.282 0.588 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 115 8.648 -1.006 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.621 0.880 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.179 -0.570 -2.161 1.00 0.00 H new ATOM 1337 N TRP A 116 5.843 -2.374 -3.607 1.00 0.00 N ATOM 1338 CA TRP A 116 5.184 -3.646 -3.337 1.00 0.00 C ATOM 1339 C TRP A 116 5.287 -4.576 -4.541 1.00 0.00 C ATOM 1340 O TRP A 116 5.789 -5.695 -4.431 1.00 0.00 O ATOM 1341 CB TRP A 116 3.715 -3.418 -2.980 1.00 0.00 C ATOM 1342 CG TRP A 116 3.485 -3.239 -1.512 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.405 -2.058 -0.834 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.308 -4.275 -0.539 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.189 -2.295 0.501 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.125 -3.649 0.707 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.286 -5.671 -0.602 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.923 -4.371 1.881 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.085 -6.387 0.564 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.905 -5.736 1.791 1.00 0.00 C ATOM 0 H TRP A 116 5.242 -1.557 -3.499 1.00 0.00 H new ATOM 0 HA TRP A 116 5.687 -4.116 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.352 -2.536 -3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 116 3.127 -4.265 -3.333 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.498 -1.080 -1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.092 -1.580 1.222 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.423 -6.181 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.786 -3.871 2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.067 -7.466 0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.749 -6.323 2.684 1.00 0.00 H new ATOM 1361 N SER A 117 4.815 -4.104 -5.693 1.00 0.00 N ATOM 1362 CA SER A 117 4.864 -4.896 -6.920 1.00 0.00 C ATOM 1363 C SER A 117 6.275 -5.418 -7.164 1.00 0.00 C ATOM 1364 O SER A 117 6.468 -6.581 -7.523 1.00 0.00 O ATOM 1365 CB SER A 117 4.404 -4.061 -8.117 1.00 0.00 C ATOM 1366 OG SER A 117 3.045 -3.685 -7.983 1.00 0.00 O ATOM 0 H SER A 117 4.396 -3.181 -5.802 1.00 0.00 H new ATOM 0 HA SER A 117 4.190 -5.745 -6.803 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.025 -3.169 -8.203 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.538 -4.632 -9.036 1.00 0.00 H new ATOM 0 HG SER A 117 2.991 -2.776 -7.620 1.00 0.00 H new ATOM 1372 N ASP A 118 7.260 -4.549 -6.955 1.00 0.00 N ATOM 1373 CA ASP A 118 8.657 -4.919 -7.140 1.00 0.00 C ATOM 1374 C ASP A 118 9.038 -6.043 -6.185 1.00 0.00 C ATOM 1375 O ASP A 118 9.867 -6.894 -6.507 1.00 0.00 O ATOM 1376 CB ASP A 118 9.563 -3.708 -6.910 1.00 0.00 C ATOM 1377 CG ASP A 118 10.994 -3.966 -7.339 1.00 0.00 C ATOM 1378 OD1 ASP A 118 11.198 -4.784 -8.261 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.910 -3.352 -6.753 1.00 0.00 O ATOM 0 H ASP A 118 7.115 -3.584 -6.657 1.00 0.00 H new ATOM 0 HA ASP A 118 8.789 -5.268 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 118 9.170 -2.854 -7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.546 -3.441 -5.853 1.00 0.00 H new ATOM 1384 N MET A 119 8.419 -6.040 -5.008 1.00 0.00 N ATOM 1385 CA MET A 119 8.684 -7.060 -4.002 1.00 0.00 C ATOM 1386 C MET A 119 8.093 -8.398 -4.426 1.00 0.00 C ATOM 1387 O MET A 119 8.666 -9.453 -4.162 1.00 0.00 O ATOM 1388 CB MET A 119 8.103 -6.638 -2.652 1.00 0.00 C ATOM 1389 CG MET A 119 8.689 -7.399 -1.474 1.00 0.00 C ATOM 1390 SD MET A 119 8.273 -6.652 0.114 1.00 0.00 S ATOM 1391 CE MET A 119 9.900 -6.201 0.709 1.00 0.00 C ATOM 0 H MET A 119 7.730 -5.342 -4.729 1.00 0.00 H new ATOM 0 HA MET A 119 9.764 -7.171 -3.904 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.277 -5.572 -2.508 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.023 -6.785 -2.668 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.326 -8.427 -1.494 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.773 -7.442 -1.578 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.943 -6.338 1.789 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.650 -6.833 0.233 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.099 -5.157 0.467 1.00 0.00 H new ATOM 1401 N ARG A 120 6.942 -8.347 -5.089 1.00 0.00 N ATOM 1402 CA ARG A 120 6.276 -9.558 -5.554 1.00 0.00 C ATOM 1403 C ARG A 120 7.227 -10.409 -6.390 1.00 0.00 C ATOM 1404 O ARG A 120 7.320 -11.621 -6.202 1.00 0.00 O ATOM 1405 CB ARG A 120 5.034 -9.201 -6.373 1.00 0.00 C ATOM 1406 CG ARG A 120 3.893 -8.642 -5.536 1.00 0.00 C ATOM 1407 CD ARG A 120 2.775 -9.659 -5.359 1.00 0.00 C ATOM 1408 NE ARG A 120 1.916 -9.739 -6.539 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.691 -10.262 -6.532 1.00 0.00 C ATOM 1410 NH1 ARG A 120 0.176 -10.750 -5.410 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.020 -10.295 -7.650 1.00 0.00 N ATOM 0 H ARG A 120 6.452 -7.482 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 120 5.970 -10.135 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.308 -8.470 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.687 -10.091 -6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.271 -8.343 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.497 -7.745 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.206 -10.640 -5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.174 -9.390 -4.491 1.00 0.00 H new ATOM 0 HE ARG A 120 2.276 -9.373 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.719 -10.726 -4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.763 -11.149 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.371 -9.920 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.958 -10.695 -7.646 1.00 0.00 H new ATOM 1425 N GLU A 121 7.937 -9.763 -7.310 1.00 0.00 N ATOM 1426 CA GLU A 121 8.886 -10.460 -8.170 1.00 0.00 C ATOM 1427 C GLU A 121 10.248 -10.582 -7.493 1.00 0.00 C ATOM 1428 O GLU A 121 10.918 -11.609 -7.603 1.00 0.00 O ATOM 1429 CB GLU A 121 9.030 -9.726 -9.504 1.00 0.00 C ATOM 1430 CG GLU A 121 7.959 -10.091 -10.517 1.00 0.00 C ATOM 1431 CD GLU A 121 8.495 -10.152 -11.933 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.599 -9.086 -12.575 1.00 0.00 O ATOM 1433 OE2 GLU A 121 8.813 -11.266 -12.400 1.00 0.00 O ATOM 0 H GLU A 121 7.873 -8.759 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 121 8.502 -11.463 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.997 -8.652 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.010 -9.948 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.528 -11.057 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.153 -9.359 -10.468 1.00 0.00 H new ATOM 1440 N ALA A 122 10.653 -9.527 -6.791 1.00 0.00 N ATOM 1441 CA ALA A 122 11.935 -9.518 -6.096 1.00 0.00 C ATOM 1442 C ALA A 122 11.963 -10.555 -4.979 1.00 0.00 C ATOM 1443 O ALA A 122 12.810 -11.448 -4.969 1.00 0.00 O ATOM 1444 CB ALA A 122 12.222 -8.132 -5.538 1.00 0.00 C ATOM 0 H ALA A 122 10.112 -8.668 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 122 12.711 -9.777 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 122 13.182 -8.139 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.255 -7.411 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.435 -7.852 -4.837 1.00 0.00 H new ATOM 1450 N LEU A 123 11.032 -10.430 -4.038 1.00 0.00 N ATOM 1451 CA LEU A 123 10.950 -11.357 -2.915 1.00 0.00 C ATOM 1452 C LEU A 123 10.782 -12.793 -3.404 1.00 0.00 C ATOM 1453 O LEU A 123 11.449 -13.705 -2.917 1.00 0.00 O ATOM 1454 CB LEU A 123 9.787 -10.977 -1.995 1.00 0.00 C ATOM 1455 CG LEU A 123 10.076 -11.109 -0.499 1.00 0.00 C ATOM 1456 CD1 LEU A 123 11.293 -10.281 -0.116 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.862 -10.688 0.317 1.00 0.00 C ATOM 0 H LEU A 123 10.324 -9.696 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 123 11.882 -11.292 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.499 -9.947 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.930 -11.603 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 123 10.291 -12.155 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.484 -10.387 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 123 12.161 -10.629 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.108 -9.232 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.085 -10.788 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.616 -9.650 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.014 -11.324 0.063 1.00 0.00 H new ATOM 1469 N GLN A 124 9.888 -12.986 -4.371 1.00 0.00 N ATOM 1470 CA GLN A 124 9.639 -14.313 -4.925 1.00 0.00 C ATOM 1471 C GLN A 124 10.919 -14.909 -5.501 1.00 0.00 C ATOM 1472 O GLN A 124 11.203 -16.092 -5.316 1.00 0.00 O ATOM 1473 CB GLN A 124 8.564 -14.243 -6.011 1.00 0.00 C ATOM 1474 CG GLN A 124 7.145 -14.288 -5.468 1.00 0.00 C ATOM 1475 CD GLN A 124 6.102 -14.363 -6.566 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.924 -15.404 -7.200 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.407 -13.255 -6.799 1.00 0.00 N ATOM 0 H GLN A 124 9.326 -12.243 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 124 9.289 -14.956 -4.118 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.696 -13.324 -6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.705 -15.072 -6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.039 -15.152 -4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.964 -13.401 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.587 -12.415 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.693 -13.245 -7.527 1.00 0.00 H new ATOM 1486 N HIS A 125 11.687 -14.081 -6.202 1.00 0.00 N ATOM 1487 CA HIS A 125 12.937 -14.526 -6.807 1.00 0.00 C ATOM 1488 C HIS A 125 13.986 -14.822 -5.740 1.00 0.00 C ATOM 1489 O HIS A 125 14.556 -15.912 -5.701 1.00 0.00 O ATOM 1490 CB HIS A 125 13.463 -13.465 -7.775 1.00 0.00 C ATOM 1491 CG HIS A 125 12.807 -13.505 -9.121 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.438 -13.497 -9.292 1.00 0.00 N ATOM 1493 CD2 HIS A 125 13.340 -13.556 -10.365 1.00 0.00 C ATOM 1494 CE1 HIS A 125 11.158 -13.542 -10.583 1.00 0.00 C ATOM 1495 NE2 HIS A 125 12.294 -13.577 -11.254 1.00 0.00 N ATOM 0 H HIS A 125 11.466 -13.099 -6.365 1.00 0.00 H new ATOM 0 HA HIS A 125 12.738 -15.446 -7.357 1.00 0.00 H new ATOM 0 HB2 HIS A 125 13.314 -12.478 -7.336 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.538 -13.599 -7.899 1.00 0.00 H new ATOM 0 HD1 HIS A 125 10.750 -13.462 -8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.391 -13.576 -10.612 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.168 -13.549 -11.015 1.00 0.00 H new ATOM 1504 N ALA A 126 14.235 -13.844 -4.874 1.00 0.00 N ATOM 1505 CA ALA A 126 15.216 -13.999 -3.806 1.00 0.00 C ATOM 1506 C ALA A 126 14.903 -15.217 -2.943 1.00 0.00 C ATOM 1507 O ALA A 126 15.809 -15.890 -2.451 1.00 0.00 O ATOM 1508 CB ALA A 126 15.266 -12.742 -2.950 1.00 0.00 C ATOM 0 H ALA A 126 13.771 -12.936 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 126 16.193 -14.154 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 126 16.002 -12.871 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.546 -11.890 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.285 -12.563 -2.509 1.00 0.00 H new ATOM 1514 N MET A 127 13.616 -15.495 -2.767 1.00 0.00 N ATOM 1515 CA MET A 127 13.182 -16.634 -1.966 1.00 0.00 C ATOM 1516 C MET A 127 13.598 -17.946 -2.622 1.00 0.00 C ATOM 1517 O MET A 127 13.863 -18.937 -1.941 1.00 0.00 O ATOM 1518 CB MET A 127 11.664 -16.604 -1.780 1.00 0.00 C ATOM 1519 CG MET A 127 11.185 -17.398 -0.576 1.00 0.00 C ATOM 1520 SD MET A 127 9.441 -17.846 -0.685 1.00 0.00 S ATOM 1521 CE MET A 127 8.674 -16.227 -0.713 1.00 0.00 C ATOM 0 H MET A 127 12.855 -14.947 -3.168 1.00 0.00 H new ATOM 0 HA MET A 127 13.662 -16.566 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.339 -15.569 -1.675 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.188 -16.998 -2.678 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.783 -18.304 -0.482 1.00 0.00 H new ATOM 0 HG3 MET A 127 11.349 -16.813 0.329 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.602 -16.329 -0.546 1.00 0.00 H new ATOM 0 HE2 MET A 127 9.106 -15.606 0.072 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.848 -15.759 -1.682 1.00 0.00 H new ATOM 1531 N GLY A 128 13.650 -17.945 -3.950 1.00 0.00 N ATOM 1532 CA GLY A 128 14.032 -19.140 -4.681 1.00 0.00 C ATOM 1533 C GLY A 128 12.981 -19.558 -5.690 1.00 0.00 C ATOM 1534 O GLY A 128 12.682 -20.743 -5.831 1.00 0.00 O ATOM 0 H GLY A 128 13.434 -17.137 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.976 -18.962 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 128 14.201 -19.955 -3.977 1.00 0.00 H new ATOM 1538 N ILE A 129 12.418 -18.579 -6.392 1.00 0.00 N ATOM 1539 CA ILE A 129 11.392 -18.850 -7.392 1.00 0.00 C ATOM 1540 C ILE A 129 11.703 -18.143 -8.707 1.00 0.00 C ATOM 1541 O ILE A 129 12.467 -17.178 -8.739 1.00 0.00 O ATOM 1542 CB ILE A 129 10.000 -18.406 -6.901 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.748 -18.920 -5.483 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.919 -18.899 -7.850 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.453 -18.421 -4.880 1.00 0.00 C ATOM 0 H ILE A 129 12.655 -17.593 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 129 11.387 -19.928 -7.555 1.00 0.00 H new ATOM 0 HB ILE A 129 9.969 -17.317 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.737 -20.010 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.577 -18.618 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.943 -18.577 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.092 -18.487 -8.844 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.947 -19.988 -7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.340 -18.826 -3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.469 -17.332 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.615 -18.745 -5.497 1.00 0.00 H new