USER MOD reduce.3.24.130724 H: found=0, std=0, add=1195, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1198 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 163 THR OG1 : rot 180:sc= -0.238 USER MOD Set 1.2: A 173 MET CE :methyl 176:sc= 0 (180deg=-0.0152) USER MOD Set 2.1: A 139 CYS SG : rot -63:sc= 0.963 USER MOD Set 2.2: A 161 HIS : no HD1:sc= -6.21! C(o=-6.9!,f=-19!) USER MOD Set 2.3: A 164 CYS SG : rot -170:sc= -2.42! USER MOD Set 2.4: A 172 CYS SG : rot 177:sc= 0.714 USER MOD Set 3.1: A 132 TYR OH : rot 180:sc= -0.155 USER MOD Set 3.2: A 134 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 23 ASN :FLIP amide:sc= -0.0151 F(o=-2.2!,f=-0.015) USER MOD Single : A 7 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 12 MET CE :methyl 162:sc= -1.65 (180deg=-3.14) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0286 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.574 K(o=0.57,f=-4.2!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 27:sc= 0.155 USER MOD Single : A 49 SER OG : rot -35:sc= 1.12 USER MOD Single : A 52 GLN : amide:sc= -0.977 K(o=-0.98,f=-2.2) USER MOD Single : A 56 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.9!) USER MOD Single : A 59 ASN : amide:sc= -0.0653 K(o=-0.065,f=-2.2!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0522 K(o=-0.052,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= -0.177 (180deg=-0.2) USER MOD Single : A 71 GLN : amide:sc= -0.435 K(o=-0.44,f=-1.9!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0408 F(o=-1.6!,f=-0.041) USER MOD Single : A 79 SER OG : rot -40:sc= 0.138 USER MOD Single : A 81 HIS : no HE2:sc= -4.95 K(o=-5,f=-9.7!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0971 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.107) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -158:sc= -0.21 (180deg=-1.17) USER MOD Single : A 99 HIS : no HD1:sc= -1.05 K(o=-1,f=-2.3!) USER MOD Single : A 103 HIS : no HD1:sc= -0.175 K(o=-0.17,f=-0.82) USER MOD Single : A 107 ASN : amide:sc= -1.56! C(o=-1.6!,f=-4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.0685 F(o=-0.96,f=-0.068) USER MOD Single : A 121 GLN : amide:sc= -0.0466 K(o=-0.047,f=-1.9!) USER MOD Single : A 125 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.38) USER MOD Single : A 126 ASN : amide:sc= -1.71! C(o=-1.7!,f=-5.9!) USER MOD Single : A 127 GLN : amide:sc= -0.0609 K(o=-0.061,f=-2.7!) USER MOD Single : A 133 SER OG : rot 180:sc= -0.533 USER MOD Single : A 141 CYS SG : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 152 HIS :FLIP no HE2:sc= 0.00185 F(o=-0.65,f=0.0019) USER MOD Single : A 154 GLN :FLIP amide:sc= -0.272 F(o=-2.6,f=-0.27) USER MOD Single : A 155 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.27) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 165 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 166 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.22) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 HIS :FLIP no HD1:sc= -0.368 F(o=-1.2,f=-0.37) USER MOD Single : A 179 GLN : amide:sc= -0.565 K(o=-0.57,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 3 17.760 4.231 5.797 1.00 0.00 N ATOM 43 CA GLY A 3 16.301 4.243 5.876 1.00 0.00 C ATOM 44 C GLY A 3 15.667 4.139 4.494 1.00 0.00 C ATOM 45 O GLY A 3 15.585 5.125 3.765 1.00 0.00 O ATOM 0 HA2 GLY A 3 15.962 3.413 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.969 5.161 6.362 1.00 0.00 H new ATOM 49 N ILE A 4 15.201 2.943 4.144 1.00 0.00 N ATOM 50 CA ILE A 4 14.561 2.740 2.849 1.00 0.00 C ATOM 51 C ILE A 4 13.112 3.222 2.905 1.00 0.00 C ATOM 52 O ILE A 4 12.617 3.844 1.969 1.00 0.00 O ATOM 53 CB ILE A 4 14.609 1.255 2.466 1.00 0.00 C ATOM 54 CG1 ILE A 4 14.085 1.068 1.032 1.00 0.00 C ATOM 55 CG2 ILE A 4 13.742 0.448 3.430 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.034 1.742 0.026 1.00 0.00 C ATOM 0 H ILE A 4 15.253 2.110 4.731 1.00 0.00 H new ATOM 0 HA ILE A 4 15.097 3.315 2.093 1.00 0.00 H new ATOM 0 HB ILE A 4 15.640 0.906 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.998 0.006 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 4 13.086 1.496 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 4 13.778 -0.606 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.116 0.572 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 4 12.712 0.802 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 4 14.651 1.602 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.099 2.808 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 4 16.025 1.294 0.104 1.00 0.00 H new ATOM 68 N ILE A 5 12.443 2.931 4.020 1.00 0.00 N ATOM 69 CA ILE A 5 11.050 3.344 4.204 1.00 0.00 C ATOM 70 C ILE A 5 10.957 4.862 4.364 1.00 0.00 C ATOM 71 O ILE A 5 10.087 5.501 3.772 1.00 0.00 O ATOM 72 CB ILE A 5 10.444 2.669 5.453 1.00 0.00 C ATOM 73 CG1 ILE A 5 10.847 1.175 5.519 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.918 2.789 5.415 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.134 0.371 4.422 1.00 0.00 C ATOM 0 H ILE A 5 12.839 2.414 4.805 1.00 0.00 H new ATOM 0 HA ILE A 5 10.491 3.037 3.320 1.00 0.00 H new ATOM 0 HB ILE A 5 10.829 3.172 6.340 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.927 1.079 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.594 0.768 6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.493 2.311 6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.636 3.842 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.537 2.299 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.431 -0.676 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.055 0.451 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.409 0.767 3.444 1.00 0.00 H new ATOM 87 N PHE A 6 11.844 5.433 5.166 1.00 0.00 N ATOM 88 CA PHE A 6 11.832 6.876 5.390 1.00 0.00 C ATOM 89 C PHE A 6 12.228 7.631 4.118 1.00 0.00 C ATOM 90 O PHE A 6 11.785 8.755 3.896 1.00 0.00 O ATOM 91 CB PHE A 6 12.780 7.238 6.534 1.00 0.00 C ATOM 92 CG PHE A 6 12.362 6.497 7.781 1.00 0.00 C ATOM 93 CD1 PHE A 6 12.749 5.164 7.963 1.00 0.00 C ATOM 94 CD2 PHE A 6 11.587 7.140 8.752 1.00 0.00 C ATOM 95 CE1 PHE A 6 12.360 4.474 9.117 1.00 0.00 C ATOM 96 CE2 PHE A 6 11.198 6.449 9.907 1.00 0.00 C ATOM 97 CZ PHE A 6 11.585 5.116 10.088 1.00 0.00 C ATOM 0 H PHE A 6 12.574 4.928 5.669 1.00 0.00 H new ATOM 0 HA PHE A 6 10.818 7.171 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.805 6.978 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.760 8.313 6.712 1.00 0.00 H new ATOM 0 HD1 PHE A 6 13.348 4.668 7.213 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.289 8.168 8.611 1.00 0.00 H new ATOM 0 HE1 PHE A 6 12.658 3.446 9.258 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.600 6.945 10.657 1.00 0.00 H new ATOM 0 HZ PHE A 6 11.285 4.583 10.978 1.00 0.00 H new ATOM 107 N ASN A 7 13.062 7.013 3.292 1.00 0.00 N ATOM 108 CA ASN A 7 13.504 7.651 2.048 1.00 0.00 C ATOM 109 C ASN A 7 12.326 7.867 1.088 1.00 0.00 C ATOM 110 O ASN A 7 12.219 8.911 0.447 1.00 0.00 O ATOM 111 CB ASN A 7 14.563 6.784 1.366 1.00 0.00 C ATOM 112 CG ASN A 7 15.006 7.434 0.059 1.00 0.00 C ATOM 113 OD1 ASN A 7 14.622 8.566 -0.233 1.00 0.00 O ATOM 114 ND2 ASN A 7 15.795 6.780 -0.748 1.00 0.00 N ATOM 0 H ASN A 7 13.445 6.082 3.453 1.00 0.00 H new ATOM 0 HA ASN A 7 13.929 8.623 2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 7 15.420 6.655 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 7 14.160 5.790 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 7 16.096 7.207 -1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 7 16.111 5.842 -0.503 1.00 0.00 H new ATOM 121 N VAL A 8 11.455 6.871 0.990 1.00 0.00 N ATOM 122 CA VAL A 8 10.300 6.972 0.094 1.00 0.00 C ATOM 123 C VAL A 8 9.234 7.894 0.687 1.00 0.00 C ATOM 124 O VAL A 8 8.472 8.530 -0.041 1.00 0.00 O ATOM 125 CB VAL A 8 9.699 5.578 -0.171 1.00 0.00 C ATOM 126 CG1 VAL A 8 8.631 5.672 -1.279 1.00 0.00 C ATOM 127 CG2 VAL A 8 10.807 4.611 -0.618 1.00 0.00 C ATOM 0 H VAL A 8 11.520 5.995 1.509 1.00 0.00 H new ATOM 0 HA VAL A 8 10.641 7.395 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 8 9.241 5.209 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.209 4.684 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.839 6.352 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.089 6.047 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.378 3.627 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.269 4.984 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.562 4.535 0.165 1.00 0.00 H new ATOM 137 N LEU A 9 9.193 7.960 2.009 1.00 0.00 N ATOM 138 CA LEU A 9 8.225 8.806 2.706 1.00 0.00 C ATOM 139 C LEU A 9 8.589 10.283 2.551 1.00 0.00 C ATOM 140 O LEU A 9 7.774 11.088 2.100 1.00 0.00 O ATOM 141 CB LEU A 9 8.200 8.403 4.191 1.00 0.00 C ATOM 142 CG LEU A 9 7.346 9.373 5.034 1.00 0.00 C ATOM 143 CD1 LEU A 9 6.031 9.699 4.330 1.00 0.00 C ATOM 144 CD2 LEU A 9 7.034 8.711 6.383 1.00 0.00 C ATOM 0 H LEU A 9 9.817 7.439 2.625 1.00 0.00 H new ATOM 0 HA LEU A 9 7.235 8.665 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.803 7.392 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.218 8.384 4.580 1.00 0.00 H new ATOM 0 HG LEU A 9 7.905 10.298 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.449 10.384 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.240 10.165 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.465 8.781 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.430 9.387 6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.484 7.785 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.966 8.491 6.904 1.00 0.00 H new ATOM 156 N GLU A 10 9.806 10.639 2.909 1.00 0.00 N ATOM 157 CA GLU A 10 10.234 12.032 2.789 1.00 0.00 C ATOM 158 C GLU A 10 9.811 12.600 1.426 1.00 0.00 C ATOM 159 O GLU A 10 9.524 13.789 1.297 1.00 0.00 O ATOM 160 CB GLU A 10 11.766 12.141 2.972 1.00 0.00 C ATOM 161 CG GLU A 10 12.483 11.910 1.633 1.00 0.00 C ATOM 162 CD GLU A 10 13.947 11.561 1.876 1.00 0.00 C ATOM 163 OE1 GLU A 10 14.382 11.670 3.011 1.00 0.00 O ATOM 164 OE2 GLU A 10 14.614 11.191 0.923 1.00 0.00 O ATOM 0 H GLU A 10 10.511 10.002 3.280 1.00 0.00 H new ATOM 0 HA GLU A 10 9.752 12.617 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.023 13.125 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.104 11.408 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.995 11.104 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.412 12.805 1.015 1.00 0.00 H new ATOM 171 N ASP A 11 9.785 11.734 0.418 1.00 0.00 N ATOM 172 CA ASP A 11 9.407 12.152 -0.929 1.00 0.00 C ATOM 173 C ASP A 11 7.911 12.438 -1.017 1.00 0.00 C ATOM 174 O ASP A 11 7.473 13.265 -1.820 1.00 0.00 O ATOM 175 CB ASP A 11 9.782 11.064 -1.938 1.00 0.00 C ATOM 176 CG ASP A 11 9.759 11.634 -3.353 1.00 0.00 C ATOM 177 OD1 ASP A 11 9.518 12.822 -3.489 1.00 0.00 O ATOM 178 OD2 ASP A 11 9.983 10.873 -4.279 1.00 0.00 O ATOM 0 H ASP A 11 10.019 10.745 0.506 1.00 0.00 H new ATOM 0 HA ASP A 11 9.947 13.070 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.774 10.672 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.085 10.230 -1.862 1.00 0.00 H new ATOM 183 N MET A 12 7.134 11.753 -0.197 1.00 0.00 N ATOM 184 CA MET A 12 5.688 11.943 -0.200 1.00 0.00 C ATOM 185 C MET A 12 5.304 13.253 0.479 1.00 0.00 C ATOM 186 O MET A 12 4.600 14.076 -0.105 1.00 0.00 O ATOM 187 CB MET A 12 5.001 10.762 0.514 1.00 0.00 C ATOM 188 CG MET A 12 4.785 9.583 -0.465 1.00 0.00 C ATOM 189 SD MET A 12 3.030 9.495 -0.935 1.00 0.00 S ATOM 190 CE MET A 12 2.914 11.084 -1.791 1.00 0.00 C ATOM 0 H MET A 12 7.473 11.065 0.475 1.00 0.00 H new ATOM 0 HA MET A 12 5.353 11.985 -1.236 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.611 10.435 1.356 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.042 11.084 0.921 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.404 9.716 -1.353 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.094 8.648 0.002 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.027 11.092 -2.425 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.843 11.888 -1.058 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.801 11.231 -2.407 1.00 0.00 H new ATOM 200 N VAL A 13 5.763 13.446 1.707 1.00 0.00 N ATOM 201 CA VAL A 13 5.443 14.671 2.437 1.00 0.00 C ATOM 202 C VAL A 13 5.911 15.894 1.658 1.00 0.00 C ATOM 203 O VAL A 13 5.192 16.889 1.558 1.00 0.00 O ATOM 204 CB VAL A 13 6.113 14.638 3.808 1.00 0.00 C ATOM 205 CG1 VAL A 13 5.554 13.463 4.623 1.00 0.00 C ATOM 206 CG2 VAL A 13 7.623 14.461 3.620 1.00 0.00 C ATOM 0 H VAL A 13 6.349 12.784 2.215 1.00 0.00 H new ATOM 0 HA VAL A 13 4.362 14.735 2.563 1.00 0.00 H new ATOM 0 HB VAL A 13 5.915 15.569 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.032 13.439 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.478 13.586 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.754 12.529 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.111 14.436 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.817 13.527 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.017 15.294 3.038 1.00 0.00 H new ATOM 216 N VAL A 14 7.113 15.818 1.108 1.00 0.00 N ATOM 217 CA VAL A 14 7.658 16.928 0.341 1.00 0.00 C ATOM 218 C VAL A 14 6.688 17.347 -0.764 1.00 0.00 C ATOM 219 O VAL A 14 6.674 18.505 -1.183 1.00 0.00 O ATOM 220 CB VAL A 14 9.013 16.526 -0.269 1.00 0.00 C ATOM 221 CG1 VAL A 14 9.423 17.537 -1.350 1.00 0.00 C ATOM 222 CG2 VAL A 14 10.083 16.503 0.835 1.00 0.00 C ATOM 0 H VAL A 14 7.726 15.006 1.177 1.00 0.00 H new ATOM 0 HA VAL A 14 7.804 17.776 1.010 1.00 0.00 H new ATOM 0 HB VAL A 14 8.923 15.537 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.383 17.245 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.668 17.556 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.510 18.529 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.043 16.218 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.165 17.493 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.800 15.781 1.601 1.00 0.00 H new ATOM 232 N ALA A 15 5.888 16.400 -1.234 1.00 0.00 N ATOM 233 CA ALA A 15 4.926 16.684 -2.297 1.00 0.00 C ATOM 234 C ALA A 15 3.622 17.254 -1.731 1.00 0.00 C ATOM 235 O ALA A 15 2.811 17.813 -2.470 1.00 0.00 O ATOM 236 CB ALA A 15 4.624 15.401 -3.074 1.00 0.00 C ATOM 0 H ALA A 15 5.883 15.436 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 15 5.366 17.428 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.906 15.616 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.545 15.016 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.206 14.656 -2.397 1.00 0.00 H new ATOM 242 N GLN A 16 3.411 17.082 -0.425 1.00 0.00 N ATOM 243 CA GLN A 16 2.175 17.559 0.219 1.00 0.00 C ATOM 244 C GLN A 16 2.341 18.933 0.877 1.00 0.00 C ATOM 245 O GLN A 16 1.527 19.831 0.662 1.00 0.00 O ATOM 246 CB GLN A 16 1.737 16.556 1.290 1.00 0.00 C ATOM 247 CG GLN A 16 1.485 15.184 0.650 1.00 0.00 C ATOM 248 CD GLN A 16 0.559 14.354 1.535 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.653 14.574 1.546 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.060 13.408 2.281 1.00 0.00 N ATOM 0 H GLN A 16 4.068 16.622 0.205 1.00 0.00 H new ATOM 0 HA GLN A 16 1.424 17.652 -0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.506 16.473 2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.831 16.909 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.040 15.311 -0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.431 14.661 0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.064 13.228 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.448 12.849 2.875 1.00 0.00 H new ATOM 259 N CYS A 17 3.374 19.079 1.703 1.00 0.00 N ATOM 260 CA CYS A 17 3.605 20.349 2.421 1.00 0.00 C ATOM 261 C CYS A 17 5.040 20.857 2.239 1.00 0.00 C ATOM 262 O CYS A 17 5.326 22.022 2.514 1.00 0.00 O ATOM 263 CB CYS A 17 3.307 20.143 3.920 1.00 0.00 C ATOM 264 SG CYS A 17 1.604 20.649 4.281 1.00 0.00 S ATOM 0 H CYS A 17 4.061 18.350 1.896 1.00 0.00 H new ATOM 0 HA CYS A 17 2.938 21.103 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.450 19.096 4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.005 20.725 4.522 1.00 0.00 H new ATOM 0 HG CYS A 17 1.357 20.471 5.545 1.00 0.00 H new ATOM 270 N GLY A 18 5.933 19.987 1.778 1.00 0.00 N ATOM 271 CA GLY A 18 7.335 20.378 1.569 1.00 0.00 C ATOM 272 C GLY A 18 8.260 19.669 2.553 1.00 0.00 C ATOM 273 O GLY A 18 7.812 18.911 3.406 1.00 0.00 O ATOM 0 H GLY A 18 5.721 19.017 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.633 20.138 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.435 21.457 1.685 1.00 0.00 H new ATOM 277 N MET A 19 9.554 19.913 2.409 1.00 0.00 N ATOM 278 CA MET A 19 10.539 19.288 3.269 1.00 0.00 C ATOM 279 C MET A 19 10.556 19.939 4.653 1.00 0.00 C ATOM 280 O MET A 19 10.910 19.297 5.643 1.00 0.00 O ATOM 281 CB MET A 19 11.928 19.398 2.628 1.00 0.00 C ATOM 282 CG MET A 19 12.844 18.309 3.188 1.00 0.00 C ATOM 283 SD MET A 19 14.569 18.842 3.054 1.00 0.00 S ATOM 284 CE MET A 19 15.329 17.270 3.528 1.00 0.00 C ATOM 0 H MET A 19 9.943 20.539 1.704 1.00 0.00 H new ATOM 0 HA MET A 19 10.271 18.238 3.389 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.848 19.298 1.546 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.353 20.382 2.827 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.594 18.109 4.230 1.00 0.00 H new ATOM 0 HG3 MET A 19 12.696 17.378 2.641 1.00 0.00 H new ATOM 0 HE1 MET A 19 16.414 17.371 3.513 1.00 0.00 H new ATOM 0 HE2 MET A 19 15.004 16.997 4.532 1.00 0.00 H new ATOM 0 HE3 MET A 19 15.027 16.493 2.825 1.00 0.00 H new ATOM 294 N SER A 20 10.179 21.213 4.717 1.00 0.00 N ATOM 295 CA SER A 20 10.169 21.924 5.993 1.00 0.00 C ATOM 296 C SER A 20 9.296 21.194 7.010 1.00 0.00 C ATOM 297 O SER A 20 9.644 21.113 8.188 1.00 0.00 O ATOM 298 CB SER A 20 9.664 23.353 5.802 1.00 0.00 C ATOM 299 OG SER A 20 10.442 23.997 4.800 1.00 0.00 O ATOM 0 H SER A 20 9.881 21.768 3.915 1.00 0.00 H new ATOM 0 HA SER A 20 11.190 21.958 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.613 23.344 5.513 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.731 23.903 6.741 1.00 0.00 H new ATOM 0 HG SER A 20 10.119 24.914 4.674 1.00 0.00 H new ATOM 305 N VAL A 21 8.173 20.649 6.555 1.00 0.00 N ATOM 306 CA VAL A 21 7.284 19.916 7.452 1.00 0.00 C ATOM 307 C VAL A 21 7.952 18.613 7.880 1.00 0.00 C ATOM 308 O VAL A 21 7.802 18.163 9.016 1.00 0.00 O ATOM 309 CB VAL A 21 5.930 19.622 6.745 1.00 0.00 C ATOM 310 CG1 VAL A 21 5.998 18.286 5.977 1.00 0.00 C ATOM 311 CG2 VAL A 21 4.810 19.540 7.787 1.00 0.00 C ATOM 0 H VAL A 21 7.859 20.699 5.586 1.00 0.00 H new ATOM 0 HA VAL A 21 7.086 20.523 8.336 1.00 0.00 H new ATOM 0 HB VAL A 21 5.727 20.429 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.042 18.098 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.785 18.338 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.215 17.476 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.863 19.334 7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.029 18.740 8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.740 20.488 8.321 1.00 0.00 H new ATOM 321 N TRP A 22 8.681 18.011 6.948 1.00 0.00 N ATOM 322 CA TRP A 22 9.364 16.760 7.212 1.00 0.00 C ATOM 323 C TRP A 22 10.479 16.948 8.220 1.00 0.00 C ATOM 324 O TRP A 22 10.646 16.142 9.118 1.00 0.00 O ATOM 325 CB TRP A 22 9.953 16.198 5.918 1.00 0.00 C ATOM 326 CG TRP A 22 10.516 14.845 6.190 1.00 0.00 C ATOM 327 CD1 TRP A 22 11.817 14.509 6.061 1.00 0.00 C ATOM 328 CD2 TRP A 22 9.825 13.646 6.643 1.00 0.00 C ATOM 329 NE1 TRP A 22 11.970 13.179 6.409 1.00 0.00 N ATOM 330 CE2 TRP A 22 10.770 12.605 6.775 1.00 0.00 C ATOM 331 CE3 TRP A 22 8.479 13.362 6.951 1.00 0.00 C ATOM 332 CZ2 TRP A 22 10.399 11.332 7.198 1.00 0.00 C ATOM 333 CZ3 TRP A 22 8.103 12.082 7.375 1.00 0.00 C ATOM 334 CH2 TRP A 22 9.064 11.067 7.499 1.00 0.00 C ATOM 0 H TRP A 22 8.812 18.373 6.003 1.00 0.00 H new ATOM 0 HA TRP A 22 8.632 16.063 7.621 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.183 16.138 5.149 1.00 0.00 H new ATOM 0 HB3 TRP A 22 10.731 16.861 5.539 1.00 0.00 H new ATOM 0 HD1 TRP A 22 12.608 15.170 5.739 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.861 12.683 6.397 1.00 0.00 H new ATOM 0 HE3 TRP A 22 7.733 14.137 6.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 11.142 10.554 7.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 7.069 11.875 7.608 1.00 0.00 H new ATOM 0 HH2 TRP A 22 8.769 10.081 7.827 1.00 0.00 H new ATOM 345 N ASN A 23 11.238 18.014 8.062 1.00 0.00 N ATOM 346 CA ASN A 23 12.343 18.289 8.970 1.00 0.00 C ATOM 347 C ASN A 23 11.829 18.788 10.314 1.00 0.00 C ATOM 348 O ASN A 23 12.488 18.619 11.340 1.00 0.00 O ATOM 349 CB ASN A 23 13.272 19.339 8.357 1.00 0.00 C ATOM 350 CG ASN A 23 13.926 18.785 7.098 1.00 0.00 C ATOM 351 OD1 ASN A 23 13.632 17.579 6.697 1.00 0.00 O flip ATOM 352 ND2 ASN A 23 14.726 19.470 6.459 1.00 0.00 N flip ATOM 0 H ASN A 23 11.114 18.702 7.320 1.00 0.00 H new ATOM 0 HA ASN A 23 12.893 17.361 9.129 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.708 20.240 8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.037 19.625 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.955 20.413 6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 23 15.159 19.094 5.615 1.00 0.00 H new ATOM 359 N GLU A 24 10.672 19.429 10.300 1.00 0.00 N ATOM 360 CA GLU A 24 10.095 19.985 11.525 1.00 0.00 C ATOM 361 C GLU A 24 9.633 18.887 12.493 1.00 0.00 C ATOM 362 O GLU A 24 10.143 18.783 13.609 1.00 0.00 O ATOM 363 CB GLU A 24 8.904 20.904 11.160 1.00 0.00 C ATOM 364 CG GLU A 24 9.366 22.367 11.094 1.00 0.00 C ATOM 365 CD GLU A 24 8.182 23.273 10.771 1.00 0.00 C ATOM 366 OE1 GLU A 24 7.114 22.747 10.505 1.00 0.00 O ATOM 367 OE2 GLU A 24 8.362 24.480 10.795 1.00 0.00 O ATOM 0 H GLU A 24 10.112 19.580 9.461 1.00 0.00 H new ATOM 0 HA GLU A 24 10.870 20.560 12.032 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.484 20.604 10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.112 20.798 11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.810 22.660 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.139 22.479 10.333 1.00 0.00 H new ATOM 374 N LEU A 25 8.661 18.091 12.075 1.00 0.00 N ATOM 375 CA LEU A 25 8.143 17.036 12.931 1.00 0.00 C ATOM 376 C LEU A 25 9.190 15.932 13.131 1.00 0.00 C ATOM 377 O LEU A 25 9.130 15.179 14.102 1.00 0.00 O ATOM 378 CB LEU A 25 6.801 16.500 12.337 1.00 0.00 C ATOM 379 CG LEU A 25 6.976 15.174 11.540 1.00 0.00 C ATOM 380 CD1 LEU A 25 8.116 15.292 10.492 1.00 0.00 C ATOM 381 CD2 LEU A 25 7.246 13.990 12.512 1.00 0.00 C ATOM 0 H LEU A 25 8.219 18.154 11.158 1.00 0.00 H new ATOM 0 HA LEU A 25 7.931 17.435 13.923 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.090 16.339 13.147 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.372 17.258 11.681 1.00 0.00 H new ATOM 0 HG LEU A 25 6.049 14.980 11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.213 14.350 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.882 16.091 9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.054 15.518 10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.366 13.070 11.940 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.156 14.186 13.080 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.406 13.884 13.198 1.00 0.00 H new ATOM 393 N LEU A 26 10.157 15.862 12.225 1.00 0.00 N ATOM 394 CA LEU A 26 11.221 14.862 12.334 1.00 0.00 C ATOM 395 C LEU A 26 12.187 15.251 13.450 1.00 0.00 C ATOM 396 O LEU A 26 12.665 14.400 14.195 1.00 0.00 O ATOM 397 CB LEU A 26 11.969 14.753 10.999 1.00 0.00 C ATOM 398 CG LEU A 26 13.207 13.856 11.133 1.00 0.00 C ATOM 399 CD1 LEU A 26 12.780 12.439 11.528 1.00 0.00 C ATOM 400 CD2 LEU A 26 13.933 13.815 9.785 1.00 0.00 C ATOM 0 H LEU A 26 10.230 16.476 11.414 1.00 0.00 H new ATOM 0 HA LEU A 26 10.781 13.894 12.573 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.303 14.348 10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.270 15.746 10.664 1.00 0.00 H new ATOM 0 HG LEU A 26 13.869 14.254 11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.662 11.806 11.622 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.253 12.470 12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.121 12.031 10.762 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.816 13.180 9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.265 13.412 9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.236 14.824 9.504 1.00 0.00 H new ATOM 412 N GLU A 27 12.459 16.543 13.560 1.00 0.00 N ATOM 413 CA GLU A 27 13.360 17.039 14.594 1.00 0.00 C ATOM 414 C GLU A 27 12.666 17.037 15.952 1.00 0.00 C ATOM 415 O GLU A 27 13.302 16.821 16.985 1.00 0.00 O ATOM 416 CB GLU A 27 13.821 18.460 14.252 1.00 0.00 C ATOM 417 CG GLU A 27 14.844 18.406 13.115 1.00 0.00 C ATOM 418 CD GLU A 27 16.154 17.816 13.622 1.00 0.00 C ATOM 419 OE1 GLU A 27 16.298 17.695 14.826 1.00 0.00 O ATOM 420 OE2 GLU A 27 16.995 17.494 12.798 1.00 0.00 O ATOM 0 H GLU A 27 12.072 17.264 12.951 1.00 0.00 H new ATOM 0 HA GLU A 27 14.228 16.381 14.641 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.967 19.070 13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.262 18.932 15.130 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.457 17.802 12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.015 19.408 12.720 1.00 0.00 H new ATOM 427 N LYS A 28 11.362 17.278 15.946 1.00 0.00 N ATOM 428 CA LYS A 28 10.593 17.304 17.186 1.00 0.00 C ATOM 429 C LYS A 28 10.393 15.890 17.736 1.00 0.00 C ATOM 430 O LYS A 28 10.472 15.667 18.943 1.00 0.00 O ATOM 431 CB LYS A 28 9.228 17.948 16.935 1.00 0.00 C ATOM 432 CG LYS A 28 8.565 18.283 18.275 1.00 0.00 C ATOM 433 CD LYS A 28 7.074 18.559 18.057 1.00 0.00 C ATOM 434 CE LYS A 28 6.903 19.683 17.031 1.00 0.00 C ATOM 435 NZ LYS A 28 5.516 20.222 17.113 1.00 0.00 N ATOM 0 H LYS A 28 10.816 17.457 15.103 1.00 0.00 H new ATOM 0 HA LYS A 28 11.149 17.888 17.920 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.345 18.853 16.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.594 17.270 16.363 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.694 17.455 18.973 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.045 19.154 18.722 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.574 17.655 17.708 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.604 18.839 19.000 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.625 20.477 17.221 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.100 19.307 16.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.399 20.985 16.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.836 19.462 16.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.345 20.595 18.068 1.00 0.00 H new ATOM 449 N HIS A 29 10.114 14.943 16.839 1.00 0.00 N ATOM 450 CA HIS A 29 9.880 13.553 17.244 1.00 0.00 C ATOM 451 C HIS A 29 11.174 12.736 17.230 1.00 0.00 C ATOM 452 O HIS A 29 11.153 11.533 17.495 1.00 0.00 O ATOM 453 CB HIS A 29 8.864 12.907 16.302 1.00 0.00 C ATOM 454 CG HIS A 29 7.529 13.581 16.468 1.00 0.00 C ATOM 455 ND1 HIS A 29 7.266 14.838 15.945 1.00 0.00 N ATOM 456 CD2 HIS A 29 6.375 13.186 17.095 1.00 0.00 C ATOM 457 CE1 HIS A 29 5.997 15.151 16.266 1.00 0.00 C ATOM 458 NE2 HIS A 29 5.409 14.178 16.967 1.00 0.00 N ATOM 0 H HIS A 29 10.045 15.109 15.835 1.00 0.00 H new ATOM 0 HA HIS A 29 9.495 13.563 18.264 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.202 12.995 15.269 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.776 11.843 16.519 1.00 0.00 H new ATOM 0 HD1 HIS A 29 7.915 15.419 15.414 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.237 12.247 17.610 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.513 16.076 15.990 1.00 0.00 H new ATOM 565 N TYR A 36 17.751 7.660 9.887 1.00 0.00 N ATOM 566 CA TYR A 36 17.087 6.363 9.751 1.00 0.00 C ATOM 567 C TYR A 36 17.896 5.464 8.815 1.00 0.00 C ATOM 568 O TYR A 36 18.036 5.756 7.629 1.00 0.00 O ATOM 569 CB TYR A 36 15.648 6.553 9.198 1.00 0.00 C ATOM 570 CG TYR A 36 15.516 7.922 8.560 1.00 0.00 C ATOM 571 CD1 TYR A 36 16.063 8.163 7.293 1.00 0.00 C ATOM 572 CD2 TYR A 36 14.845 8.947 9.238 1.00 0.00 C ATOM 573 CE1 TYR A 36 15.939 9.427 6.706 1.00 0.00 C ATOM 574 CE2 TYR A 36 14.721 10.212 8.650 1.00 0.00 C ATOM 575 CZ TYR A 36 15.269 10.452 7.385 1.00 0.00 C ATOM 576 OH TYR A 36 15.147 11.699 6.806 1.00 0.00 O ATOM 0 HA TYR A 36 17.024 5.891 10.732 1.00 0.00 H new ATOM 0 HB2 TYR A 36 15.426 5.778 8.465 1.00 0.00 H new ATOM 0 HB3 TYR A 36 14.922 6.447 10.004 1.00 0.00 H new ATOM 0 HD1 TYR A 36 16.581 7.373 6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 36 14.423 8.762 10.215 1.00 0.00 H new ATOM 0 HE1 TYR A 36 16.360 9.612 5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 36 14.203 11.002 9.173 1.00 0.00 H new ATOM 0 HH TYR A 36 14.654 12.293 7.409 1.00 0.00 H new ATOM 586 N VAL A 37 18.434 4.374 9.360 1.00 0.00 N ATOM 587 CA VAL A 37 19.236 3.440 8.565 1.00 0.00 C ATOM 588 C VAL A 37 18.413 2.208 8.197 1.00 0.00 C ATOM 589 O VAL A 37 17.859 1.538 9.067 1.00 0.00 O ATOM 590 CB VAL A 37 20.473 3.011 9.356 1.00 0.00 C ATOM 591 CG1 VAL A 37 21.501 2.389 8.409 1.00 0.00 C ATOM 592 CG2 VAL A 37 21.086 4.233 10.045 1.00 0.00 C ATOM 0 H VAL A 37 18.331 4.115 10.341 1.00 0.00 H new ATOM 0 HA VAL A 37 19.547 3.943 7.649 1.00 0.00 H new ATOM 0 HB VAL A 37 20.184 2.275 10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 37 22.381 2.085 8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 37 21.065 1.518 7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 37 21.791 3.121 7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 37 21.968 3.929 10.609 1.00 0.00 H new ATOM 0 HG22 VAL A 37 21.372 4.969 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 37 20.355 4.673 10.724 1.00 0.00 H new ATOM 602 N SER A 38 18.341 1.915 6.903 1.00 0.00 N ATOM 603 CA SER A 38 17.586 0.760 6.434 1.00 0.00 C ATOM 604 C SER A 38 18.244 -0.534 6.905 1.00 0.00 C ATOM 605 O SER A 38 17.568 -1.529 7.162 1.00 0.00 O ATOM 606 CB SER A 38 17.513 0.770 4.908 1.00 0.00 C ATOM 607 OG SER A 38 18.768 0.364 4.375 1.00 0.00 O ATOM 0 H SER A 38 18.792 2.457 6.166 1.00 0.00 H new ATOM 0 HA SER A 38 16.578 0.815 6.846 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.725 0.099 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.259 1.768 4.551 1.00 0.00 H new ATOM 0 HG SER A 38 18.724 0.368 3.396 1.00 0.00 H new ATOM 702 N SER A 45 9.695 2.413 15.377 1.00 0.00 N ATOM 703 CA SER A 45 8.343 2.749 15.807 1.00 0.00 C ATOM 704 C SER A 45 8.043 4.216 15.518 1.00 0.00 C ATOM 705 O SER A 45 6.882 4.608 15.388 1.00 0.00 O ATOM 706 CB SER A 45 8.189 2.480 17.303 1.00 0.00 C ATOM 707 OG SER A 45 8.537 1.128 17.576 1.00 0.00 O ATOM 0 HA SER A 45 7.639 2.128 15.254 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.828 3.154 17.873 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.163 2.674 17.615 1.00 0.00 H new ATOM 0 HG SER A 45 9.167 0.809 16.896 1.00 0.00 H new ATOM 713 N GLU A 46 9.094 5.021 15.419 1.00 0.00 N ATOM 714 CA GLU A 46 8.932 6.445 15.146 1.00 0.00 C ATOM 715 C GLU A 46 8.092 6.657 13.891 1.00 0.00 C ATOM 716 O GLU A 46 7.431 7.681 13.746 1.00 0.00 O ATOM 717 CB GLU A 46 10.302 7.103 14.962 1.00 0.00 C ATOM 718 CG GLU A 46 11.019 7.190 16.313 1.00 0.00 C ATOM 719 CD GLU A 46 10.320 8.206 17.211 1.00 0.00 C ATOM 720 OE1 GLU A 46 9.556 9.001 16.690 1.00 0.00 O ATOM 721 OE2 GLU A 46 10.559 8.172 18.407 1.00 0.00 O ATOM 0 H GLU A 46 10.062 4.716 15.523 1.00 0.00 H new ATOM 0 HA GLU A 46 8.422 6.902 15.994 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.902 6.526 14.258 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.183 8.100 14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.026 6.212 16.794 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.059 7.479 16.164 1.00 0.00 H new ATOM 728 N LEU A 47 8.123 5.684 12.989 1.00 0.00 N ATOM 729 CA LEU A 47 7.354 5.786 11.751 1.00 0.00 C ATOM 730 C LEU A 47 5.875 5.983 12.064 1.00 0.00 C ATOM 731 O LEU A 47 5.196 6.773 11.412 1.00 0.00 O ATOM 732 CB LEU A 47 7.539 4.524 10.900 1.00 0.00 C ATOM 733 CG LEU A 47 6.911 4.735 9.502 1.00 0.00 C ATOM 734 CD1 LEU A 47 7.841 5.582 8.618 1.00 0.00 C ATOM 735 CD2 LEU A 47 6.688 3.371 8.838 1.00 0.00 C ATOM 0 H LEU A 47 8.664 4.825 13.087 1.00 0.00 H new ATOM 0 HA LEU A 47 7.718 6.647 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.600 4.294 10.801 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.073 3.671 11.393 1.00 0.00 H new ATOM 0 HG LEU A 47 5.961 5.257 9.617 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.384 5.721 7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.001 6.554 9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.798 5.072 8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.245 3.514 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.643 2.856 8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.017 2.772 9.454 1.00 0.00 H new ATOM 747 N PHE A 48 5.380 5.261 13.064 1.00 0.00 N ATOM 748 CA PHE A 48 3.978 5.372 13.450 1.00 0.00 C ATOM 749 C PHE A 48 3.690 6.758 14.017 1.00 0.00 C ATOM 750 O PHE A 48 2.703 7.394 13.649 1.00 0.00 O ATOM 751 CB PHE A 48 3.630 4.305 14.488 1.00 0.00 C ATOM 752 CG PHE A 48 2.131 4.234 14.654 1.00 0.00 C ATOM 753 CD1 PHE A 48 1.362 3.497 13.747 1.00 0.00 C ATOM 754 CD2 PHE A 48 1.511 4.903 15.717 1.00 0.00 C ATOM 755 CE1 PHE A 48 -0.029 3.430 13.901 1.00 0.00 C ATOM 756 CE2 PHE A 48 0.122 4.836 15.870 1.00 0.00 C ATOM 757 CZ PHE A 48 -0.649 4.100 14.962 1.00 0.00 C ATOM 0 H PHE A 48 5.923 4.598 13.617 1.00 0.00 H new ATOM 0 HA PHE A 48 3.363 5.220 12.563 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.018 3.336 14.173 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.101 4.543 15.442 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.840 2.980 12.928 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.105 5.470 16.418 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.623 2.861 13.201 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.356 5.352 16.689 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.721 4.049 15.080 1.00 0.00 H new ATOM 767 N SER A 49 4.560 7.227 14.905 1.00 0.00 N ATOM 768 CA SER A 49 4.383 8.548 15.501 1.00 0.00 C ATOM 769 C SER A 49 4.387 9.617 14.410 1.00 0.00 C ATOM 770 O SER A 49 3.714 10.641 14.521 1.00 0.00 O ATOM 771 CB SER A 49 5.510 8.826 16.494 1.00 0.00 C ATOM 772 OG SER A 49 6.737 8.965 15.789 1.00 0.00 O ATOM 0 H SER A 49 5.385 6.720 15.226 1.00 0.00 H new ATOM 0 HA SER A 49 3.428 8.573 16.025 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.297 9.734 17.058 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.583 8.012 17.216 1.00 0.00 H new ATOM 0 HG SER A 49 6.744 8.355 15.022 1.00 0.00 H new ATOM 778 N ILE A 50 5.165 9.365 13.365 1.00 0.00 N ATOM 779 CA ILE A 50 5.278 10.299 12.250 1.00 0.00 C ATOM 780 C ILE A 50 4.043 10.236 11.349 1.00 0.00 C ATOM 781 O ILE A 50 3.617 11.249 10.794 1.00 0.00 O ATOM 782 CB ILE A 50 6.533 9.964 11.429 1.00 0.00 C ATOM 783 CG1 ILE A 50 7.790 10.278 12.259 1.00 0.00 C ATOM 784 CG2 ILE A 50 6.550 10.794 10.140 1.00 0.00 C ATOM 785 CD1 ILE A 50 8.992 9.530 11.675 1.00 0.00 C ATOM 0 H ILE A 50 5.728 8.520 13.265 1.00 0.00 H new ATOM 0 HA ILE A 50 5.354 11.309 12.653 1.00 0.00 H new ATOM 0 HB ILE A 50 6.521 8.905 11.173 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.981 11.351 12.257 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.635 9.984 13.297 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.442 10.552 9.563 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.663 10.567 9.549 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.557 11.855 10.390 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.881 9.754 12.264 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.800 8.457 11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.151 9.846 10.644 1.00 0.00 H new ATOM 797 N VAL A 51 3.484 9.045 11.198 1.00 0.00 N ATOM 798 CA VAL A 51 2.311 8.865 10.350 1.00 0.00 C ATOM 799 C VAL A 51 1.068 9.500 10.979 1.00 0.00 C ATOM 800 O VAL A 51 0.237 10.068 10.278 1.00 0.00 O ATOM 801 CB VAL A 51 2.073 7.363 10.101 1.00 0.00 C ATOM 802 CG1 VAL A 51 0.667 7.137 9.501 1.00 0.00 C ATOM 803 CG2 VAL A 51 3.137 6.838 9.123 1.00 0.00 C ATOM 0 H VAL A 51 3.819 8.193 11.647 1.00 0.00 H new ATOM 0 HA VAL A 51 2.497 9.365 9.399 1.00 0.00 H new ATOM 0 HB VAL A 51 2.143 6.828 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.511 6.072 9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.088 7.507 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.585 7.672 8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.973 5.775 8.943 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.064 7.381 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.129 6.985 9.551 1.00 0.00 H new ATOM 813 N GLN A 52 0.940 9.392 12.296 1.00 0.00 N ATOM 814 CA GLN A 52 -0.221 9.959 12.980 1.00 0.00 C ATOM 815 C GLN A 52 -0.114 11.484 13.076 1.00 0.00 C ATOM 816 O GLN A 52 -1.113 12.190 12.949 1.00 0.00 O ATOM 817 CB GLN A 52 -0.347 9.365 14.383 1.00 0.00 C ATOM 818 CG GLN A 52 0.923 9.655 15.174 1.00 0.00 C ATOM 819 CD GLN A 52 0.895 8.904 16.500 1.00 0.00 C ATOM 820 OE1 GLN A 52 0.508 7.737 16.545 1.00 0.00 O ATOM 821 NE2 GLN A 52 1.282 9.509 17.590 1.00 0.00 N ATOM 0 H GLN A 52 1.612 8.926 12.905 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.108 9.710 12.398 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.211 9.791 14.893 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.512 8.289 14.321 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.797 9.356 14.596 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.012 10.726 15.355 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.602 10.477 17.550 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.264 9.014 18.482 1.00 0.00 H new ATOM 830 N ASP A 53 1.101 11.985 13.305 1.00 0.00 N ATOM 831 CA ASP A 53 1.312 13.431 13.419 1.00 0.00 C ATOM 832 C ASP A 53 1.183 14.103 12.059 1.00 0.00 C ATOM 833 O ASP A 53 0.364 15.001 11.880 1.00 0.00 O ATOM 834 CB ASP A 53 2.695 13.720 14.007 1.00 0.00 C ATOM 835 CG ASP A 53 2.774 15.172 14.463 1.00 0.00 C ATOM 836 OD1 ASP A 53 1.764 15.689 14.911 1.00 0.00 O ATOM 837 OD2 ASP A 53 3.845 15.749 14.357 1.00 0.00 O ATOM 0 H ASP A 53 1.944 11.421 13.414 1.00 0.00 H new ATOM 0 HA ASP A 53 0.548 13.834 14.083 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.888 13.055 14.849 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.465 13.522 13.261 1.00 0.00 H new ATOM 842 N VAL A 54 1.984 13.663 11.099 1.00 0.00 N ATOM 843 CA VAL A 54 1.924 14.237 9.766 1.00 0.00 C ATOM 844 C VAL A 54 0.466 14.320 9.301 1.00 0.00 C ATOM 845 O VAL A 54 0.090 15.220 8.551 1.00 0.00 O ATOM 846 CB VAL A 54 2.755 13.384 8.789 1.00 0.00 C ATOM 847 CG1 VAL A 54 1.954 12.142 8.367 1.00 0.00 C ATOM 848 CG2 VAL A 54 3.114 14.221 7.547 1.00 0.00 C ATOM 0 H VAL A 54 2.674 12.921 11.217 1.00 0.00 H new ATOM 0 HA VAL A 54 2.341 15.244 9.788 1.00 0.00 H new ATOM 0 HB VAL A 54 3.672 13.064 9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.548 11.544 7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.714 11.547 9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.031 12.453 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.702 13.615 6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.200 14.549 7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.695 15.092 7.851 1.00 0.00 H new ATOM 858 N ALA A 55 -0.345 13.376 9.769 1.00 0.00 N ATOM 859 CA ALA A 55 -1.758 13.346 9.416 1.00 0.00 C ATOM 860 C ALA A 55 -2.505 14.504 10.077 1.00 0.00 C ATOM 861 O ALA A 55 -3.444 15.055 9.505 1.00 0.00 O ATOM 862 CB ALA A 55 -2.373 12.012 9.862 1.00 0.00 C ATOM 0 H ALA A 55 -0.048 12.625 10.392 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.848 13.448 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.430 11.992 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.858 11.190 9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.268 11.906 10.942 1.00 0.00 H new ATOM 868 N GLN A 56 -2.084 14.864 11.286 1.00 0.00 N ATOM 869 CA GLN A 56 -2.727 15.955 12.013 1.00 0.00 C ATOM 870 C GLN A 56 -2.523 17.284 11.296 1.00 0.00 C ATOM 871 O GLN A 56 -3.482 18.017 11.056 1.00 0.00 O ATOM 872 CB GLN A 56 -2.163 16.049 13.429 1.00 0.00 C ATOM 873 CG GLN A 56 -2.658 14.862 14.258 1.00 0.00 C ATOM 874 CD GLN A 56 -1.944 14.831 15.604 1.00 0.00 C ATOM 875 OE1 GLN A 56 -0.905 15.471 15.771 1.00 0.00 O ATOM 876 NE2 GLN A 56 -2.438 14.119 16.579 1.00 0.00 N ATOM 0 H GLN A 56 -1.308 14.422 11.779 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.795 15.744 12.060 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.073 16.055 13.398 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.473 16.985 13.894 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.735 14.938 14.410 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.477 13.932 13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.299 13.590 16.439 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.964 14.092 17.482 1.00 0.00 H new ATOM 885 N ARG A 57 -1.276 17.601 10.956 1.00 0.00 N ATOM 886 CA ARG A 57 -0.995 18.857 10.269 1.00 0.00 C ATOM 887 C ARG A 57 -1.568 18.827 8.858 1.00 0.00 C ATOM 888 O ARG A 57 -2.155 19.805 8.394 1.00 0.00 O ATOM 889 CB ARG A 57 0.510 19.123 10.223 1.00 0.00 C ATOM 890 CG ARG A 57 1.249 17.922 9.618 1.00 0.00 C ATOM 891 CD ARG A 57 2.701 17.942 10.087 1.00 0.00 C ATOM 892 NE ARG A 57 3.241 19.299 9.989 1.00 0.00 N ATOM 893 CZ ARG A 57 4.197 19.727 10.813 1.00 0.00 C ATOM 894 NH1 ARG A 57 4.677 18.931 11.729 1.00 0.00 N ATOM 895 NH2 ARG A 57 4.656 20.943 10.701 1.00 0.00 N ATOM 0 H ARG A 57 -0.459 17.018 11.141 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.470 19.665 10.824 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.710 20.016 9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.882 19.317 11.229 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.768 16.992 9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.205 17.962 8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.764 17.590 11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.297 17.260 9.480 1.00 0.00 H new ATOM 0 HE ARG A 57 2.878 19.930 9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.321 17.979 11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.409 19.261 12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.283 21.565 9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.388 21.272 11.331 1.00 0.00 H new ATOM 909 N LEU A 58 -1.407 17.693 8.183 1.00 0.00 N ATOM 910 CA LEU A 58 -1.932 17.547 6.827 1.00 0.00 C ATOM 911 C LEU A 58 -3.460 17.528 6.862 1.00 0.00 C ATOM 912 O LEU A 58 -4.119 17.598 5.825 1.00 0.00 O ATOM 913 CB LEU A 58 -1.423 16.245 6.189 1.00 0.00 C ATOM 914 CG LEU A 58 0.074 16.358 5.843 1.00 0.00 C ATOM 915 CD1 LEU A 58 0.564 15.006 5.308 1.00 0.00 C ATOM 916 CD2 LEU A 58 0.295 17.446 4.763 1.00 0.00 C ATOM 0 H LEU A 58 -0.924 16.871 8.545 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.588 18.392 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.581 15.412 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.995 16.028 5.287 1.00 0.00 H new ATOM 0 HG LEU A 58 0.630 16.633 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.623 15.075 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.419 14.239 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.001 14.742 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.357 17.515 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.259 17.182 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.057 18.407 5.137 1.00 0.00 H new ATOM 928 N ASN A 59 -4.011 17.426 8.070 1.00 0.00 N ATOM 929 CA ASN A 59 -5.463 17.389 8.248 1.00 0.00 C ATOM 930 C ASN A 59 -6.052 16.178 7.536 1.00 0.00 C ATOM 931 O ASN A 59 -6.886 16.307 6.640 1.00 0.00 O ATOM 932 CB ASN A 59 -6.098 18.666 7.713 1.00 0.00 C ATOM 933 CG ASN A 59 -7.518 18.809 8.251 1.00 0.00 C ATOM 934 OD1 ASN A 59 -7.981 17.965 9.018 1.00 0.00 O ATOM 935 ND2 ASN A 59 -8.242 19.834 7.892 1.00 0.00 N ATOM 0 H ASN A 59 -3.477 17.368 8.937 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.677 17.311 9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.501 19.529 8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.114 18.645 6.623 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.193 19.936 8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.857 20.533 7.256 1.00 0.00 H new ATOM 942 N MET A 60 -5.602 15.007 7.952 1.00 0.00 N ATOM 943 CA MET A 60 -6.068 13.747 7.371 1.00 0.00 C ATOM 944 C MET A 60 -6.156 12.670 8.451 1.00 0.00 C ATOM 945 O MET A 60 -5.404 12.704 9.421 1.00 0.00 O ATOM 946 CB MET A 60 -5.088 13.293 6.278 1.00 0.00 C ATOM 947 CG MET A 60 -4.610 14.506 5.486 1.00 0.00 C ATOM 948 SD MET A 60 -3.746 13.952 3.995 1.00 0.00 S ATOM 949 CE MET A 60 -4.119 15.393 2.967 1.00 0.00 C ATOM 0 H MET A 60 -4.911 14.896 8.694 1.00 0.00 H new ATOM 0 HA MET A 60 -7.057 13.901 6.939 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.237 12.781 6.728 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.574 12.580 5.613 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.459 15.134 5.215 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.946 15.115 6.099 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.673 15.262 1.981 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.199 15.498 2.865 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.710 16.289 3.434 1.00 0.00 H new ATOM 959 N PRO A 61 -7.042 11.712 8.306 1.00 0.00 N ATOM 960 CA PRO A 61 -7.180 10.614 9.296 1.00 0.00 C ATOM 961 C PRO A 61 -6.047 9.591 9.147 1.00 0.00 C ATOM 962 O PRO A 61 -5.731 9.154 8.041 1.00 0.00 O ATOM 963 CB PRO A 61 -8.541 10.005 8.965 1.00 0.00 C ATOM 964 CG PRO A 61 -8.725 10.247 7.507 1.00 0.00 C ATOM 965 CD PRO A 61 -8.010 11.566 7.196 1.00 0.00 C ATOM 0 HA PRO A 61 -7.117 10.958 10.329 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.563 8.940 9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.335 10.473 9.546 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.305 9.429 6.921 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.783 10.309 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.508 11.531 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.709 12.402 7.162 1.00 0.00 H new ATOM 973 N ILE A 62 -5.431 9.242 10.265 1.00 0.00 N ATOM 974 CA ILE A 62 -4.316 8.297 10.266 1.00 0.00 C ATOM 975 C ILE A 62 -4.579 7.084 9.362 1.00 0.00 C ATOM 976 O ILE A 62 -3.658 6.576 8.729 1.00 0.00 O ATOM 977 CB ILE A 62 -4.051 7.825 11.696 1.00 0.00 C ATOM 978 CG1 ILE A 62 -2.734 7.051 11.740 1.00 0.00 C ATOM 979 CG2 ILE A 62 -5.190 6.918 12.160 1.00 0.00 C ATOM 980 CD1 ILE A 62 -2.416 6.658 13.185 1.00 0.00 C ATOM 0 H ILE A 62 -5.682 9.598 11.187 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.443 8.816 9.869 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.989 8.691 12.355 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.804 6.159 11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.928 7.662 11.333 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.997 6.584 13.179 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.130 7.470 12.131 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.257 6.052 11.501 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.476 6.106 13.214 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.328 7.557 13.795 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.217 6.031 13.576 1.00 0.00 H new ATOM 992 N GLN A 63 -5.825 6.617 9.317 1.00 0.00 N ATOM 993 CA GLN A 63 -6.165 5.447 8.490 1.00 0.00 C ATOM 994 C GLN A 63 -5.966 5.731 6.999 1.00 0.00 C ATOM 995 O GLN A 63 -5.627 4.830 6.232 1.00 0.00 O ATOM 996 CB GLN A 63 -7.615 5.027 8.741 1.00 0.00 C ATOM 997 CG GLN A 63 -8.504 6.266 8.823 1.00 0.00 C ATOM 998 CD GLN A 63 -9.969 5.870 8.674 1.00 0.00 C ATOM 999 OE1 GLN A 63 -10.271 4.731 8.316 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -10.901 6.746 8.927 1.00 0.00 N ATOM 0 H GLN A 63 -6.609 7.018 9.832 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.492 4.638 8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.958 4.374 7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.683 4.457 9.667 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.351 6.771 9.777 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.229 6.973 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.648 7.689 9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.883 6.489 8.829 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.174 6.974 6.594 1.00 0.00 N ATOM 1010 CA ASP A 64 -6.003 7.338 5.182 1.00 0.00 C ATOM 1011 C ASP A 64 -4.539 7.620 4.876 1.00 0.00 C ATOM 1012 O ASP A 64 -4.052 7.312 3.790 1.00 0.00 O ATOM 1013 CB ASP A 64 -6.829 8.569 4.850 1.00 0.00 C ATOM 1014 CG ASP A 64 -6.608 8.968 3.396 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -7.277 8.412 2.540 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -5.773 9.825 3.156 1.00 0.00 O ATOM 0 H ASP A 64 -6.457 7.741 7.204 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.341 6.499 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.886 8.366 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.551 9.392 5.508 1.00 0.00 H new ATOM 1021 N VAL A 65 -3.847 8.213 5.837 1.00 0.00 N ATOM 1022 CA VAL A 65 -2.438 8.539 5.659 1.00 0.00 C ATOM 1023 C VAL A 65 -1.600 7.272 5.541 1.00 0.00 C ATOM 1024 O VAL A 65 -0.737 7.174 4.673 1.00 0.00 O ATOM 1025 CB VAL A 65 -1.946 9.385 6.837 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -0.449 9.674 6.680 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -2.720 10.711 6.867 1.00 0.00 C ATOM 0 H VAL A 65 -4.234 8.477 6.743 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.329 9.109 4.736 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.111 8.840 7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.105 10.276 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.103 8.734 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.279 10.218 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.373 11.316 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.553 11.251 5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.785 10.508 6.983 1.00 0.00 H new ATOM 1037 N VAL A 66 -1.855 6.304 6.411 1.00 0.00 N ATOM 1038 CA VAL A 66 -1.107 5.055 6.369 1.00 0.00 C ATOM 1039 C VAL A 66 -1.359 4.347 5.045 1.00 0.00 C ATOM 1040 O VAL A 66 -0.455 3.739 4.470 1.00 0.00 O ATOM 1041 CB VAL A 66 -1.521 4.151 7.528 1.00 0.00 C ATOM 1042 CG1 VAL A 66 -3.013 3.839 7.419 1.00 0.00 C ATOM 1043 CG2 VAL A 66 -0.723 2.845 7.468 1.00 0.00 C ATOM 0 H VAL A 66 -2.563 6.357 7.144 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.044 5.278 6.461 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.321 4.656 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.311 3.194 8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.583 4.767 7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.211 3.333 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.018 2.200 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.924 2.339 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.342 3.066 7.542 1.00 0.00 H new ATOM 1053 N LYS A 67 -2.595 4.436 4.562 1.00 0.00 N ATOM 1054 CA LYS A 67 -2.958 3.809 3.299 1.00 0.00 C ATOM 1055 C LYS A 67 -2.182 4.446 2.149 1.00 0.00 C ATOM 1056 O LYS A 67 -1.419 3.774 1.456 1.00 0.00 O ATOM 1057 CB LYS A 67 -4.460 3.962 3.050 1.00 0.00 C ATOM 1058 CG LYS A 67 -4.821 3.356 1.686 1.00 0.00 C ATOM 1059 CD LYS A 67 -6.343 3.110 1.604 1.00 0.00 C ATOM 1060 CE LYS A 67 -6.682 1.726 2.176 1.00 0.00 C ATOM 1061 NZ LYS A 67 -8.131 1.673 2.521 1.00 0.00 N ATOM 0 H LYS A 67 -3.356 4.933 5.024 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.708 2.750 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.022 3.465 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.738 5.016 3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.509 4.028 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.284 2.418 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.875 3.882 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.675 3.176 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.442 0.951 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.079 1.529 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.351 0.754 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.356 2.436 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.698 1.792 1.657 1.00 0.00 H new ATOM 1075 N ALA A 68 -2.384 5.746 1.953 1.00 0.00 N ATOM 1076 CA ALA A 68 -1.699 6.464 0.882 1.00 0.00 C ATOM 1077 C ALA A 68 -0.192 6.240 0.964 1.00 0.00 C ATOM 1078 O ALA A 68 0.482 6.101 -0.056 1.00 0.00 O ATOM 1079 CB ALA A 68 -1.996 7.960 0.987 1.00 0.00 C ATOM 0 H ALA A 68 -3.011 6.320 2.517 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.061 6.084 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.482 8.490 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.070 8.125 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.648 8.333 1.950 1.00 0.00 H new ATOM 1085 N PHE A 69 0.328 6.213 2.186 1.00 0.00 N ATOM 1086 CA PHE A 69 1.756 6.012 2.396 1.00 0.00 C ATOM 1087 C PHE A 69 2.221 4.724 1.719 1.00 0.00 C ATOM 1088 O PHE A 69 3.293 4.685 1.126 1.00 0.00 O ATOM 1089 CB PHE A 69 2.056 5.954 3.913 1.00 0.00 C ATOM 1090 CG PHE A 69 2.328 7.352 4.450 1.00 0.00 C ATOM 1091 CD1 PHE A 69 1.658 8.466 3.911 1.00 0.00 C ATOM 1092 CD2 PHE A 69 3.255 7.533 5.489 1.00 0.00 C ATOM 1093 CE1 PHE A 69 1.918 9.747 4.409 1.00 0.00 C ATOM 1094 CE2 PHE A 69 3.510 8.818 5.984 1.00 0.00 C ATOM 1095 CZ PHE A 69 2.841 9.922 5.442 1.00 0.00 C ATOM 0 H PHE A 69 -0.215 6.327 3.042 1.00 0.00 H new ATOM 0 HA PHE A 69 2.298 6.848 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.211 5.512 4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.918 5.312 4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.943 8.332 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.771 6.681 5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.404 10.602 3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.222 8.957 6.784 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.040 10.912 5.824 1.00 0.00 H new ATOM 1105 N GLY A 70 1.409 3.675 1.816 1.00 0.00 N ATOM 1106 CA GLY A 70 1.758 2.393 1.209 1.00 0.00 C ATOM 1107 C GLY A 70 1.801 2.494 -0.315 1.00 0.00 C ATOM 1108 O GLY A 70 2.838 2.258 -0.933 1.00 0.00 O ATOM 0 H GLY A 70 0.513 3.686 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.728 2.064 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.030 1.638 1.505 1.00 0.00 H new ATOM 1112 N GLN A 71 0.665 2.846 -0.914 1.00 0.00 N ATOM 1113 CA GLN A 71 0.576 2.974 -2.368 1.00 0.00 C ATOM 1114 C GLN A 71 1.848 3.606 -2.937 1.00 0.00 C ATOM 1115 O GLN A 71 2.394 3.136 -3.935 1.00 0.00 O ATOM 1116 CB GLN A 71 -0.640 3.841 -2.733 1.00 0.00 C ATOM 1117 CG GLN A 71 -1.908 2.986 -2.707 1.00 0.00 C ATOM 1118 CD GLN A 71 -3.141 3.879 -2.783 1.00 0.00 C ATOM 1119 OE1 GLN A 71 -3.050 5.087 -2.559 1.00 0.00 O ATOM 1120 NE2 GLN A 71 -4.297 3.356 -3.086 1.00 0.00 N ATOM 0 H GLN A 71 -0.203 3.047 -0.418 1.00 0.00 H new ATOM 0 HA GLN A 71 0.463 1.979 -2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.733 4.669 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.504 4.277 -3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.903 2.288 -3.544 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.936 2.390 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.371 2.356 -3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.126 3.947 -3.138 1.00 0.00 H new ATOM 1129 N PHE A 72 2.305 4.668 -2.297 1.00 0.00 N ATOM 1130 CA PHE A 72 3.505 5.365 -2.741 1.00 0.00 C ATOM 1131 C PHE A 72 4.761 4.561 -2.397 1.00 0.00 C ATOM 1132 O PHE A 72 5.691 4.475 -3.198 1.00 0.00 O ATOM 1133 CB PHE A 72 3.563 6.743 -2.067 1.00 0.00 C ATOM 1134 CG PHE A 72 4.207 7.747 -2.995 1.00 0.00 C ATOM 1135 CD1 PHE A 72 5.600 7.802 -3.110 1.00 0.00 C ATOM 1136 CD2 PHE A 72 3.408 8.622 -3.737 1.00 0.00 C ATOM 1137 CE1 PHE A 72 6.193 8.732 -3.969 1.00 0.00 C ATOM 1138 CE2 PHE A 72 4.000 9.553 -4.596 1.00 0.00 C ATOM 1139 CZ PHE A 72 5.392 9.608 -4.712 1.00 0.00 C ATOM 0 H PHE A 72 1.865 5.068 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 72 3.466 5.484 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.557 7.071 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.130 6.679 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.217 7.127 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.333 8.579 -3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.268 8.775 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.383 10.229 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.850 10.327 -5.375 1.00 0.00 H new ATOM 1149 N LEU A 73 4.785 3.978 -1.201 1.00 0.00 N ATOM 1150 CA LEU A 73 5.940 3.196 -0.778 1.00 0.00 C ATOM 1151 C LEU A 73 6.293 2.164 -1.840 1.00 0.00 C ATOM 1152 O LEU A 73 7.464 1.932 -2.130 1.00 0.00 O ATOM 1153 CB LEU A 73 5.658 2.494 0.564 1.00 0.00 C ATOM 1154 CG LEU A 73 6.984 2.318 1.345 1.00 0.00 C ATOM 1155 CD1 LEU A 73 7.266 3.576 2.179 1.00 0.00 C ATOM 1156 CD2 LEU A 73 6.881 1.107 2.275 1.00 0.00 C ATOM 0 H LEU A 73 4.029 4.031 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 73 6.784 3.873 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.953 3.081 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.196 1.523 0.388 1.00 0.00 H new ATOM 0 HG LEU A 73 7.796 2.163 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.200 3.448 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.348 4.439 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.450 3.735 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.816 0.988 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.065 1.259 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.689 0.211 1.685 1.00 0.00 H new ATOM 1168 N PHE A 74 5.272 1.552 -2.414 1.00 0.00 N ATOM 1169 CA PHE A 74 5.475 0.550 -3.448 1.00 0.00 C ATOM 1170 C PHE A 74 6.157 1.166 -4.667 1.00 0.00 C ATOM 1171 O PHE A 74 7.072 0.580 -5.243 1.00 0.00 O ATOM 1172 CB PHE A 74 4.129 -0.039 -3.864 1.00 0.00 C ATOM 1173 CG PHE A 74 4.363 -1.249 -4.728 1.00 0.00 C ATOM 1174 CD1 PHE A 74 4.641 -1.093 -6.089 1.00 0.00 C ATOM 1175 CD2 PHE A 74 4.304 -2.528 -4.167 1.00 0.00 C ATOM 1176 CE1 PHE A 74 4.863 -2.217 -6.889 1.00 0.00 C ATOM 1177 CE2 PHE A 74 4.525 -3.651 -4.964 1.00 0.00 C ATOM 1178 CZ PHE A 74 4.805 -3.497 -6.328 1.00 0.00 C ATOM 0 H PHE A 74 4.295 1.730 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 74 6.114 -0.237 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.551 -0.314 -2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.546 0.704 -4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.684 -0.105 -6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.087 -2.647 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.079 -2.097 -7.940 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.480 -4.639 -4.530 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.976 -4.366 -6.946 1.00 0.00 H new ATOM 1188 N ASN A 75 5.690 2.345 -5.058 1.00 0.00 N ATOM 1189 CA ASN A 75 6.241 3.037 -6.219 1.00 0.00 C ATOM 1190 C ASN A 75 7.739 3.310 -6.052 1.00 0.00 C ATOM 1191 O ASN A 75 8.546 2.905 -6.888 1.00 0.00 O ATOM 1192 CB ASN A 75 5.494 4.364 -6.427 1.00 0.00 C ATOM 1193 CG ASN A 75 4.150 4.113 -7.107 1.00 0.00 C ATOM 1194 OD1 ASN A 75 3.741 2.887 -7.288 1.00 0.00 O flip ATOM 1195 ND2 ASN A 75 3.456 5.058 -7.481 1.00 0.00 N flip ATOM 0 H ASN A 75 4.932 2.842 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 75 6.111 2.394 -7.090 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.338 4.856 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.097 5.038 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.778 6.015 -7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.559 4.884 -7.934 1.00 0.00 H new ATOM 1202 N GLY A 76 8.101 4.007 -4.982 1.00 0.00 N ATOM 1203 CA GLY A 76 9.502 4.335 -4.736 1.00 0.00 C ATOM 1204 C GLY A 76 10.344 3.081 -4.532 1.00 0.00 C ATOM 1205 O GLY A 76 11.451 2.974 -5.059 1.00 0.00 O ATOM 0 H GLY A 76 7.452 4.354 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.896 4.906 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.578 4.972 -3.855 1.00 0.00 H new ATOM 1209 N LEU A 77 9.818 2.139 -3.762 1.00 0.00 N ATOM 1210 CA LEU A 77 10.538 0.899 -3.493 1.00 0.00 C ATOM 1211 C LEU A 77 11.000 0.254 -4.802 1.00 0.00 C ATOM 1212 O LEU A 77 12.184 -0.019 -4.987 1.00 0.00 O ATOM 1213 CB LEU A 77 9.623 -0.077 -2.717 1.00 0.00 C ATOM 1214 CG LEU A 77 9.717 0.181 -1.198 1.00 0.00 C ATOM 1215 CD1 LEU A 77 8.598 -0.590 -0.495 1.00 0.00 C ATOM 1216 CD2 LEU A 77 11.079 -0.303 -0.653 1.00 0.00 C ATOM 0 H LEU A 77 8.904 2.207 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 77 11.417 1.126 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.591 0.042 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.911 -1.105 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 77 9.620 1.251 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.655 -0.415 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.632 -0.249 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.709 -1.656 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.130 -0.114 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.186 -1.372 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.884 0.235 -1.155 1.00 0.00 H new ATOM 1228 N ALA A 78 10.053 0.003 -5.693 1.00 0.00 N ATOM 1229 CA ALA A 78 10.364 -0.622 -6.976 1.00 0.00 C ATOM 1230 C ALA A 78 11.589 0.025 -7.628 1.00 0.00 C ATOM 1231 O ALA A 78 12.372 -0.646 -8.300 1.00 0.00 O ATOM 1232 CB ALA A 78 9.169 -0.490 -7.919 1.00 0.00 C ATOM 0 H ALA A 78 9.066 0.220 -5.555 1.00 0.00 H new ATOM 0 HA ALA A 78 10.583 -1.674 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.406 -0.958 -8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.302 -0.983 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.945 0.565 -8.077 1.00 0.00 H new ATOM 1238 N SER A 79 11.733 1.330 -7.441 1.00 0.00 N ATOM 1239 CA SER A 79 12.851 2.065 -8.034 1.00 0.00 C ATOM 1240 C SER A 79 14.186 1.703 -7.379 1.00 0.00 C ATOM 1241 O SER A 79 15.248 2.032 -7.906 1.00 0.00 O ATOM 1242 CB SER A 79 12.612 3.567 -7.895 1.00 0.00 C ATOM 1243 OG SER A 79 13.558 4.271 -8.692 1.00 0.00 O ATOM 0 H SER A 79 11.096 1.902 -6.887 1.00 0.00 H new ATOM 0 HA SER A 79 12.906 1.786 -9.086 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.598 3.816 -8.209 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.705 3.866 -6.851 1.00 0.00 H new ATOM 0 HG SER A 79 14.433 3.836 -8.621 1.00 0.00 H new ATOM 1249 N ARG A 80 14.133 1.043 -6.223 1.00 0.00 N ATOM 1250 CA ARG A 80 15.358 0.667 -5.510 1.00 0.00 C ATOM 1251 C ARG A 80 15.778 -0.770 -5.835 1.00 0.00 C ATOM 1252 O ARG A 80 16.967 -1.090 -5.829 1.00 0.00 O ATOM 1253 CB ARG A 80 15.135 0.814 -3.999 1.00 0.00 C ATOM 1254 CG ARG A 80 15.002 2.313 -3.628 1.00 0.00 C ATOM 1255 CD ARG A 80 16.373 2.888 -3.235 1.00 0.00 C ATOM 1256 NE ARG A 80 17.270 2.894 -4.387 1.00 0.00 N ATOM 1257 CZ ARG A 80 18.592 2.896 -4.231 1.00 0.00 C ATOM 1258 NH1 ARG A 80 19.106 2.892 -3.032 1.00 0.00 N ATOM 1259 NH2 ARG A 80 19.372 2.903 -5.276 1.00 0.00 N ATOM 0 H ARG A 80 13.268 0.759 -5.763 1.00 0.00 H new ATOM 0 HA ARG A 80 16.159 1.331 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.235 0.276 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.968 0.368 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.595 2.869 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.301 2.430 -2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.254 3.902 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.807 2.294 -2.431 1.00 0.00 H new ATOM 0 HE ARG A 80 16.877 2.897 -5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.495 2.887 -2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 80 20.119 2.894 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.969 2.907 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.385 2.905 -5.156 1.00 0.00 H new ATOM 1273 N HIS A 81 14.798 -1.631 -6.118 1.00 0.00 N ATOM 1274 CA HIS A 81 15.085 -3.040 -6.444 1.00 0.00 C ATOM 1275 C HIS A 81 14.394 -3.440 -7.753 1.00 0.00 C ATOM 1276 O HIS A 81 13.927 -4.569 -7.906 1.00 0.00 O ATOM 1277 CB HIS A 81 14.611 -3.951 -5.291 1.00 0.00 C ATOM 1278 CG HIS A 81 13.420 -3.337 -4.635 1.00 0.00 C ATOM 1279 ND1 HIS A 81 12.124 -3.673 -4.987 1.00 0.00 N ATOM 1280 CD2 HIS A 81 13.311 -2.389 -3.660 1.00 0.00 C ATOM 1281 CE1 HIS A 81 11.300 -2.927 -4.235 1.00 0.00 C ATOM 1282 NE2 HIS A 81 11.976 -2.127 -3.409 1.00 0.00 N ATOM 0 H HIS A 81 13.808 -1.387 -6.130 1.00 0.00 H new ATOM 0 HA HIS A 81 16.161 -3.158 -6.573 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.360 -4.940 -5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.412 -4.084 -4.564 1.00 0.00 H new ATOM 0 HD1 HIS A 81 11.847 -4.360 -5.688 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.142 -1.914 -3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.222 -2.969 -4.292 1.00 0.00 H new ATOM 1291 N THR A 82 14.338 -2.501 -8.692 1.00 0.00 N ATOM 1292 CA THR A 82 13.709 -2.749 -9.989 1.00 0.00 C ATOM 1293 C THR A 82 14.028 -4.168 -10.486 1.00 0.00 C ATOM 1294 O THR A 82 13.300 -4.730 -11.298 1.00 0.00 O ATOM 1295 CB THR A 82 14.218 -1.711 -11.014 1.00 0.00 C ATOM 1296 OG1 THR A 82 14.605 -0.529 -10.329 1.00 0.00 O ATOM 1297 CG2 THR A 82 13.106 -1.377 -12.017 1.00 0.00 C ATOM 0 H THR A 82 14.720 -1.562 -8.581 1.00 0.00 H new ATOM 0 HA THR A 82 12.629 -2.658 -9.877 1.00 0.00 H new ATOM 0 HB THR A 82 15.072 -2.124 -11.551 1.00 0.00 H new ATOM 0 HG1 THR A 82 14.930 0.132 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.473 -0.645 -12.736 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.806 -2.283 -12.543 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.248 -0.965 -11.485 1.00 0.00 H new ATOM 1305 N ASP A 83 15.131 -4.723 -9.995 1.00 0.00 N ATOM 1306 CA ASP A 83 15.561 -6.064 -10.398 1.00 0.00 C ATOM 1307 C ASP A 83 14.658 -7.151 -9.808 1.00 0.00 C ATOM 1308 O ASP A 83 14.225 -8.059 -10.516 1.00 0.00 O ATOM 1309 CB ASP A 83 17.002 -6.303 -9.947 1.00 0.00 C ATOM 1310 CG ASP A 83 17.498 -7.645 -10.474 1.00 0.00 C ATOM 1311 OD1 ASP A 83 17.934 -7.688 -11.613 1.00 0.00 O ATOM 1312 OD2 ASP A 83 17.435 -8.611 -9.729 1.00 0.00 O ATOM 0 H ASP A 83 15.745 -4.269 -9.319 1.00 0.00 H new ATOM 0 HA ASP A 83 15.493 -6.120 -11.484 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.643 -5.501 -10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.058 -6.287 -8.859 1.00 0.00 H new ATOM 1317 N VAL A 84 14.386 -7.057 -8.512 1.00 0.00 N ATOM 1318 CA VAL A 84 13.540 -8.047 -7.846 1.00 0.00 C ATOM 1319 C VAL A 84 12.111 -7.968 -8.349 1.00 0.00 C ATOM 1320 O VAL A 84 11.502 -8.982 -8.688 1.00 0.00 O ATOM 1321 CB VAL A 84 13.551 -7.808 -6.334 1.00 0.00 C ATOM 1322 CG1 VAL A 84 12.694 -8.869 -5.645 1.00 0.00 C ATOM 1323 CG2 VAL A 84 14.988 -7.895 -5.813 1.00 0.00 C ATOM 0 H VAL A 84 14.733 -6.315 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 84 13.938 -9.036 -8.070 1.00 0.00 H new ATOM 0 HB VAL A 84 13.147 -6.819 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.701 -8.700 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.671 -8.807 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.098 -9.858 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.996 -7.725 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.393 -8.884 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.600 -7.138 -6.304 1.00 0.00 H new ATOM 1333 N VAL A 85 11.574 -6.759 -8.375 1.00 0.00 N ATOM 1334 CA VAL A 85 10.204 -6.546 -8.813 1.00 0.00 C ATOM 1335 C VAL A 85 10.019 -6.937 -10.283 1.00 0.00 C ATOM 1336 O VAL A 85 9.077 -7.633 -10.613 1.00 0.00 O ATOM 1337 CB VAL A 85 9.809 -5.054 -8.610 1.00 0.00 C ATOM 1338 CG1 VAL A 85 8.885 -4.910 -7.391 1.00 0.00 C ATOM 1339 CG2 VAL A 85 11.069 -4.216 -8.385 1.00 0.00 C ATOM 0 H VAL A 85 12.066 -5.910 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 85 9.556 -7.182 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 85 9.286 -4.706 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.616 -3.862 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.982 -5.500 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.401 -5.266 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.791 -3.172 -8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.592 -4.576 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.723 -4.303 -9.253 1.00 0.00 H new ATOM 1349 N ASP A 86 10.916 -6.465 -11.157 1.00 0.00 N ATOM 1350 CA ASP A 86 10.816 -6.758 -12.603 1.00 0.00 C ATOM 1351 C ASP A 86 10.391 -8.212 -12.870 1.00 0.00 C ATOM 1352 O ASP A 86 10.017 -8.559 -13.991 1.00 0.00 O ATOM 1353 CB ASP A 86 12.159 -6.475 -13.293 1.00 0.00 C ATOM 1354 CG ASP A 86 12.129 -6.972 -14.737 1.00 0.00 C ATOM 1355 OD1 ASP A 86 11.577 -6.274 -15.572 1.00 0.00 O ATOM 1356 OD2 ASP A 86 12.658 -8.044 -14.984 1.00 0.00 O ATOM 0 H ASP A 86 11.713 -5.884 -10.898 1.00 0.00 H new ATOM 0 HA ASP A 86 10.045 -6.106 -13.014 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.367 -5.405 -13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.966 -6.966 -12.749 1.00 0.00 H new ATOM 1361 N LYS A 87 10.440 -9.044 -11.843 1.00 0.00 N ATOM 1362 CA LYS A 87 10.046 -10.442 -11.982 1.00 0.00 C ATOM 1363 C LYS A 87 8.520 -10.570 -11.882 1.00 0.00 C ATOM 1364 O LYS A 87 7.965 -11.663 -11.993 1.00 0.00 O ATOM 1365 CB LYS A 87 10.716 -11.276 -10.881 1.00 0.00 C ATOM 1366 CG LYS A 87 12.217 -11.443 -11.197 1.00 0.00 C ATOM 1367 CD LYS A 87 13.008 -11.696 -9.900 1.00 0.00 C ATOM 1368 CE LYS A 87 12.310 -12.770 -9.053 1.00 0.00 C ATOM 1369 NZ LYS A 87 13.311 -13.428 -8.166 1.00 0.00 N ATOM 0 H LYS A 87 10.747 -8.780 -10.907 1.00 0.00 H new ATOM 0 HA LYS A 87 10.366 -10.810 -12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.590 -10.788 -9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.238 -12.253 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.361 -12.274 -11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.594 -10.548 -11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.022 -12.015 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.091 -10.771 -9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.518 -12.319 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.839 -13.510 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.877 -14.253 -7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.127 -13.737 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.629 -12.754 -7.441 1.00 0.00 H new ATOM 1383 N PHE A 88 7.860 -9.432 -11.649 1.00 0.00 N ATOM 1384 CA PHE A 88 6.398 -9.385 -11.504 1.00 0.00 C ATOM 1385 C PHE A 88 5.732 -8.804 -12.747 1.00 0.00 C ATOM 1386 O PHE A 88 5.025 -7.800 -12.665 1.00 0.00 O ATOM 1387 CB PHE A 88 6.048 -8.511 -10.288 1.00 0.00 C ATOM 1388 CG PHE A 88 6.389 -7.015 -10.532 1.00 0.00 C ATOM 1389 CD1 PHE A 88 7.114 -6.573 -11.680 1.00 0.00 C ATOM 1390 CD2 PHE A 88 5.964 -6.068 -9.593 1.00 0.00 C ATOM 1391 CE1 PHE A 88 7.386 -5.215 -11.853 1.00 0.00 C ATOM 1392 CE2 PHE A 88 6.249 -4.710 -9.779 1.00 0.00 C ATOM 1393 CZ PHE A 88 6.957 -4.286 -10.905 1.00 0.00 C ATOM 0 H PHE A 88 8.316 -8.525 -11.556 1.00 0.00 H new ATOM 0 HA PHE A 88 6.032 -10.402 -11.368 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.986 -8.609 -10.064 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.592 -8.870 -9.414 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.452 -7.289 -12.414 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.413 -6.387 -8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.931 -4.882 -12.724 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.919 -3.987 -9.048 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.173 -3.237 -11.042 1.00 0.00 H new ATOM 1403 N ASP A 89 5.972 -9.411 -13.895 1.00 0.00 N ATOM 1404 CA ASP A 89 5.402 -8.904 -15.132 1.00 0.00 C ATOM 1405 C ASP A 89 3.885 -8.723 -15.027 1.00 0.00 C ATOM 1406 O ASP A 89 3.288 -8.016 -15.838 1.00 0.00 O ATOM 1407 CB ASP A 89 5.724 -9.858 -16.283 1.00 0.00 C ATOM 1408 CG ASP A 89 5.092 -11.222 -16.025 1.00 0.00 C ATOM 1409 OD1 ASP A 89 4.278 -11.314 -15.122 1.00 0.00 O ATOM 1410 OD2 ASP A 89 5.432 -12.154 -16.735 1.00 0.00 O ATOM 0 H ASP A 89 6.550 -10.245 -13.998 1.00 0.00 H new ATOM 0 HA ASP A 89 5.846 -7.927 -15.323 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.351 -9.447 -17.221 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.804 -9.963 -16.388 1.00 0.00 H new ATOM 1415 N ASP A 90 3.261 -9.361 -14.032 1.00 0.00 N ATOM 1416 CA ASP A 90 1.806 -9.242 -13.865 1.00 0.00 C ATOM 1417 C ASP A 90 1.410 -9.263 -12.389 1.00 0.00 C ATOM 1418 O ASP A 90 2.096 -9.847 -11.550 1.00 0.00 O ATOM 1419 CB ASP A 90 1.095 -10.376 -14.605 1.00 0.00 C ATOM 1420 CG ASP A 90 1.315 -10.236 -16.107 1.00 0.00 C ATOM 1421 OD1 ASP A 90 1.327 -9.113 -16.583 1.00 0.00 O ATOM 1422 OD2 ASP A 90 1.467 -11.255 -16.762 1.00 0.00 O ATOM 0 H ASP A 90 3.726 -9.953 -13.343 1.00 0.00 H new ATOM 0 HA ASP A 90 1.501 -8.284 -14.287 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.473 -11.339 -14.262 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.028 -10.355 -14.382 1.00 0.00 H new ATOM 1427 N PHE A 91 0.294 -8.603 -12.093 1.00 0.00 N ATOM 1428 CA PHE A 91 -0.223 -8.511 -10.732 1.00 0.00 C ATOM 1429 C PHE A 91 -0.534 -9.889 -10.149 1.00 0.00 C ATOM 1430 O PHE A 91 -0.318 -10.129 -8.961 1.00 0.00 O ATOM 1431 CB PHE A 91 -1.496 -7.667 -10.741 1.00 0.00 C ATOM 1432 CG PHE A 91 -1.909 -7.352 -9.330 1.00 0.00 C ATOM 1433 CD1 PHE A 91 -1.307 -6.293 -8.650 1.00 0.00 C ATOM 1434 CD2 PHE A 91 -2.899 -8.116 -8.703 1.00 0.00 C ATOM 1435 CE1 PHE A 91 -1.694 -5.991 -7.340 1.00 0.00 C ATOM 1436 CE2 PHE A 91 -3.287 -7.818 -7.394 1.00 0.00 C ATOM 1437 CZ PHE A 91 -2.685 -6.755 -6.711 1.00 0.00 C ATOM 0 H PHE A 91 -0.275 -8.119 -12.787 1.00 0.00 H new ATOM 0 HA PHE A 91 0.542 -8.049 -10.108 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -1.327 -6.744 -11.295 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.295 -8.204 -11.252 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.541 -5.706 -9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.363 -8.936 -9.231 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.229 -5.170 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.051 -8.408 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.985 -6.524 -5.699 1.00 0.00 H new ATOM 1447 N THR A 92 -1.043 -10.791 -10.982 1.00 0.00 N ATOM 1448 CA THR A 92 -1.377 -12.134 -10.518 1.00 0.00 C ATOM 1449 C THR A 92 -0.127 -12.872 -10.060 1.00 0.00 C ATOM 1450 O THR A 92 -0.133 -13.542 -9.026 1.00 0.00 O ATOM 1451 CB THR A 92 -2.054 -12.923 -11.639 1.00 0.00 C ATOM 1452 OG1 THR A 92 -3.275 -12.288 -11.993 1.00 0.00 O ATOM 1453 CG2 THR A 92 -2.336 -14.350 -11.164 1.00 0.00 C ATOM 0 H THR A 92 -1.232 -10.621 -11.970 1.00 0.00 H new ATOM 0 HA THR A 92 -2.060 -12.043 -9.674 1.00 0.00 H new ATOM 0 HB THR A 92 -1.397 -12.956 -12.508 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.709 -12.792 -12.713 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.819 -14.911 -11.964 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.398 -14.836 -10.895 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.992 -14.321 -10.294 1.00 0.00 H new ATOM 1461 N SER A 93 0.945 -12.750 -10.834 1.00 0.00 N ATOM 1462 CA SER A 93 2.195 -13.416 -10.495 1.00 0.00 C ATOM 1463 C SER A 93 2.770 -12.846 -9.202 1.00 0.00 C ATOM 1464 O SER A 93 3.471 -13.536 -8.461 1.00 0.00 O ATOM 1465 CB SER A 93 3.204 -13.229 -11.626 1.00 0.00 C ATOM 1466 OG SER A 93 2.642 -13.709 -12.843 1.00 0.00 O ATOM 0 H SER A 93 0.974 -12.201 -11.693 1.00 0.00 H new ATOM 0 HA SER A 93 1.995 -14.478 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.466 -12.176 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.125 -13.767 -11.400 1.00 0.00 H new ATOM 0 HG SER A 93 3.287 -13.589 -13.571 1.00 0.00 H new ATOM 1472 N LEU A 94 2.472 -11.576 -8.949 1.00 0.00 N ATOM 1473 CA LEU A 94 2.963 -10.893 -7.755 1.00 0.00 C ATOM 1474 C LEU A 94 2.274 -11.412 -6.497 1.00 0.00 C ATOM 1475 O LEU A 94 2.895 -12.064 -5.680 1.00 0.00 O ATOM 1476 CB LEU A 94 2.715 -9.382 -7.891 1.00 0.00 C ATOM 1477 CG LEU A 94 3.648 -8.591 -6.958 1.00 0.00 C ATOM 1478 CD1 LEU A 94 3.373 -7.092 -7.129 1.00 0.00 C ATOM 1479 CD2 LEU A 94 3.394 -8.984 -5.492 1.00 0.00 C ATOM 0 H LEU A 94 1.892 -10.997 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 94 4.031 -11.090 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.878 -9.073 -8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.676 -9.156 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 94 4.683 -8.817 -7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.031 -6.524 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.558 -6.804 -8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.334 -6.881 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.061 -8.417 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.359 -8.764 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.582 -10.050 -5.363 1.00 0.00 H new ATOM 1491 N VAL A 95 1.004 -11.080 -6.338 1.00 0.00 N ATOM 1492 CA VAL A 95 0.246 -11.490 -5.147 1.00 0.00 C ATOM 1493 C VAL A 95 0.680 -12.870 -4.627 1.00 0.00 C ATOM 1494 O VAL A 95 0.837 -13.061 -3.423 1.00 0.00 O ATOM 1495 CB VAL A 95 -1.250 -11.513 -5.464 1.00 0.00 C ATOM 1496 CG1 VAL A 95 -2.041 -11.866 -4.202 1.00 0.00 C ATOM 1497 CG2 VAL A 95 -1.692 -10.132 -5.955 1.00 0.00 C ATOM 0 H VAL A 95 0.469 -10.530 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 95 0.454 -10.760 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.438 -12.259 -6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.106 -11.881 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.733 -12.848 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.847 -11.120 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.758 -10.150 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.498 -9.391 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.135 -9.870 -6.855 1.00 0.00 H new ATOM 1507 N MET A 96 0.848 -13.826 -5.527 1.00 0.00 N ATOM 1508 CA MET A 96 1.239 -15.181 -5.120 1.00 0.00 C ATOM 1509 C MET A 96 2.750 -15.293 -4.893 1.00 0.00 C ATOM 1510 O MET A 96 3.219 -16.239 -4.259 1.00 0.00 O ATOM 1511 CB MET A 96 0.809 -16.185 -6.190 1.00 0.00 C ATOM 1512 CG MET A 96 1.576 -15.913 -7.484 1.00 0.00 C ATOM 1513 SD MET A 96 0.831 -16.858 -8.837 1.00 0.00 S ATOM 1514 CE MET A 96 1.103 -18.505 -8.139 1.00 0.00 C ATOM 0 H MET A 96 0.724 -13.700 -6.532 1.00 0.00 H new ATOM 0 HA MET A 96 0.740 -15.401 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 96 1.002 -17.202 -5.848 1.00 0.00 H new ATOM 0 HB3 MET A 96 -0.264 -16.106 -6.367 1.00 0.00 H new ATOM 0 HG2 MET A 96 1.555 -14.848 -7.715 1.00 0.00 H new ATOM 0 HG3 MET A 96 2.623 -16.192 -7.364 1.00 0.00 H new ATOM 0 HE1 MET A 96 1.087 -19.246 -8.938 1.00 0.00 H new ATOM 0 HE2 MET A 96 2.071 -18.533 -7.638 1.00 0.00 H new ATOM 0 HE3 MET A 96 0.316 -18.730 -7.420 1.00 0.00 H new ATOM 1524 N GLY A 97 3.508 -14.341 -5.431 1.00 0.00 N ATOM 1525 CA GLY A 97 4.977 -14.370 -5.295 1.00 0.00 C ATOM 1526 C GLY A 97 5.477 -13.413 -4.211 1.00 0.00 C ATOM 1527 O GLY A 97 6.675 -13.343 -3.947 1.00 0.00 O ATOM 0 H GLY A 97 3.145 -13.548 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.298 -15.384 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.434 -14.106 -6.249 1.00 0.00 H new ATOM 1531 N ILE A 98 4.566 -12.678 -3.588 1.00 0.00 N ATOM 1532 CA ILE A 98 4.958 -11.736 -2.544 1.00 0.00 C ATOM 1533 C ILE A 98 5.950 -12.381 -1.585 1.00 0.00 C ATOM 1534 O ILE A 98 7.164 -12.266 -1.762 1.00 0.00 O ATOM 1535 CB ILE A 98 3.727 -11.257 -1.772 1.00 0.00 C ATOM 1536 CG1 ILE A 98 2.811 -10.469 -2.712 1.00 0.00 C ATOM 1537 CG2 ILE A 98 4.168 -10.351 -0.624 1.00 0.00 C ATOM 1538 CD1 ILE A 98 1.460 -10.236 -2.034 1.00 0.00 C ATOM 0 H ILE A 98 3.565 -12.713 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 98 5.436 -10.879 -3.019 1.00 0.00 H new ATOM 0 HB ILE A 98 3.191 -12.118 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.270 -9.514 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.672 -11.016 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.292 -10.009 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.824 -10.906 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.703 -9.490 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.809 -9.675 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.000 -11.196 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.607 -9.671 -1.114 1.00 0.00 H new ATOM 1550 N HIS A 99 5.436 -13.062 -0.575 1.00 0.00 N ATOM 1551 CA HIS A 99 6.289 -13.719 0.401 1.00 0.00 C ATOM 1552 C HIS A 99 7.453 -14.426 -0.287 1.00 0.00 C ATOM 1553 O HIS A 99 8.616 -14.261 0.089 1.00 0.00 O ATOM 1554 CB HIS A 99 5.473 -14.749 1.183 1.00 0.00 C ATOM 1555 CG HIS A 99 6.247 -15.190 2.396 1.00 0.00 C ATOM 1556 ND1 HIS A 99 6.752 -14.287 3.319 1.00 0.00 N ATOM 1557 CD2 HIS A 99 6.610 -16.434 2.849 1.00 0.00 C ATOM 1558 CE1 HIS A 99 7.386 -14.997 4.273 1.00 0.00 C ATOM 1559 NE2 HIS A 99 7.330 -16.309 4.033 1.00 0.00 N ATOM 0 H HIS A 99 4.436 -13.174 -0.409 1.00 0.00 H new ATOM 0 HA HIS A 99 6.685 -12.961 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 99 4.518 -14.318 1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 99 5.249 -15.608 0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.373 -17.368 2.361 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.879 -14.558 5.128 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.730 -17.059 4.597 1.00 0.00 H new ATOM 1568 N ASP A 100 7.113 -15.226 -1.280 1.00 0.00 N ATOM 1569 CA ASP A 100 8.091 -16.002 -2.030 1.00 0.00 C ATOM 1570 C ASP A 100 9.404 -15.248 -2.302 1.00 0.00 C ATOM 1571 O ASP A 100 10.289 -15.203 -1.460 1.00 0.00 O ATOM 1572 CB ASP A 100 7.482 -16.441 -3.360 1.00 0.00 C ATOM 1573 CG ASP A 100 8.444 -17.369 -4.094 1.00 0.00 C ATOM 1574 OD1 ASP A 100 9.454 -17.725 -3.509 1.00 0.00 O ATOM 1575 OD2 ASP A 100 8.156 -17.712 -5.228 1.00 0.00 O ATOM 0 H ASP A 100 6.151 -15.358 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 100 8.344 -16.861 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.535 -16.951 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.265 -15.568 -3.976 1.00 0.00 H new ATOM 1580 N VAL A 101 9.532 -14.726 -3.523 1.00 0.00 N ATOM 1581 CA VAL A 101 10.761 -14.051 -3.965 1.00 0.00 C ATOM 1582 C VAL A 101 10.924 -12.616 -3.440 1.00 0.00 C ATOM 1583 O VAL A 101 12.007 -12.233 -2.997 1.00 0.00 O ATOM 1584 CB VAL A 101 10.777 -14.031 -5.508 1.00 0.00 C ATOM 1585 CG1 VAL A 101 10.236 -15.363 -6.036 1.00 0.00 C ATOM 1586 CG2 VAL A 101 9.891 -12.890 -6.040 1.00 0.00 C ATOM 0 H VAL A 101 8.797 -14.756 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 101 11.595 -14.617 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 101 11.802 -13.877 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.246 -15.353 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.862 -16.179 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.215 -15.506 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.913 -12.890 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 101 8.866 -13.035 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 101 10.265 -11.936 -5.669 1.00 0.00 H new ATOM 1596 N ILE A 102 9.882 -11.823 -3.549 1.00 0.00 N ATOM 1597 CA ILE A 102 9.954 -10.424 -3.146 1.00 0.00 C ATOM 1598 C ILE A 102 10.439 -10.236 -1.700 1.00 0.00 C ATOM 1599 O ILE A 102 11.316 -9.412 -1.450 1.00 0.00 O ATOM 1600 CB ILE A 102 8.578 -9.766 -3.348 1.00 0.00 C ATOM 1601 CG1 ILE A 102 8.317 -9.537 -4.881 1.00 0.00 C ATOM 1602 CG2 ILE A 102 8.534 -8.418 -2.606 1.00 0.00 C ATOM 1603 CD1 ILE A 102 7.063 -10.300 -5.321 1.00 0.00 C ATOM 0 H ILE A 102 8.974 -12.115 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 102 10.698 -9.939 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 102 7.805 -10.422 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.194 -8.473 -5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.178 -9.873 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.558 -7.955 -2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.703 -8.583 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.310 -7.761 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.891 -10.135 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.202 -11.365 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.203 -9.943 -4.755 1.00 0.00 H new ATOM 1615 N HIS A 103 9.864 -10.963 -0.749 1.00 0.00 N ATOM 1616 CA HIS A 103 10.271 -10.795 0.653 1.00 0.00 C ATOM 1617 C HIS A 103 11.448 -11.705 1.018 1.00 0.00 C ATOM 1618 O HIS A 103 12.023 -11.573 2.098 1.00 0.00 O ATOM 1619 CB HIS A 103 9.083 -11.074 1.579 1.00 0.00 C ATOM 1620 CG HIS A 103 8.182 -9.858 1.631 1.00 0.00 C ATOM 1621 ND1 HIS A 103 6.806 -9.949 1.497 1.00 0.00 N ATOM 1622 CD2 HIS A 103 8.454 -8.520 1.798 1.00 0.00 C ATOM 1623 CE1 HIS A 103 6.305 -8.699 1.585 1.00 0.00 C ATOM 1624 NE2 HIS A 103 7.270 -7.787 1.769 1.00 0.00 N ATOM 0 H HIS A 103 9.134 -11.657 -0.909 1.00 0.00 H new ATOM 0 HA HIS A 103 10.600 -9.764 0.782 1.00 0.00 H new ATOM 0 HB2 HIS A 103 8.524 -11.938 1.220 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.439 -11.318 2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 103 9.440 -8.100 1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.254 -8.462 1.516 1.00 0.00 H new ATOM 0 HE2 HIS A 103 7.161 -6.778 1.866 1.00 0.00 H new ATOM 1632 N LEU A 104 11.811 -12.616 0.121 1.00 0.00 N ATOM 1633 CA LEU A 104 12.934 -13.515 0.389 1.00 0.00 C ATOM 1634 C LEU A 104 14.254 -12.821 0.060 1.00 0.00 C ATOM 1635 O LEU A 104 15.271 -13.055 0.716 1.00 0.00 O ATOM 1636 CB LEU A 104 12.791 -14.812 -0.436 1.00 0.00 C ATOM 1637 CG LEU A 104 14.127 -15.616 -0.427 1.00 0.00 C ATOM 1638 CD1 LEU A 104 13.828 -17.121 -0.352 1.00 0.00 C ATOM 1639 CD2 LEU A 104 14.926 -15.326 -1.714 1.00 0.00 C ATOM 0 H LEU A 104 11.356 -12.753 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 104 12.929 -13.774 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.988 -15.425 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.513 -14.569 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 104 14.712 -15.313 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.765 -17.678 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.272 -17.336 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.235 -17.418 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.858 -15.892 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.337 -15.620 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.149 -14.261 -1.771 1.00 0.00 H new ATOM 1651 N GLU A 105 14.235 -11.968 -0.961 1.00 0.00 N ATOM 1652 CA GLU A 105 15.443 -11.255 -1.359 1.00 0.00 C ATOM 1653 C GLU A 105 15.757 -10.138 -0.366 1.00 0.00 C ATOM 1654 O GLU A 105 16.856 -10.081 0.185 1.00 0.00 O ATOM 1655 CB GLU A 105 15.275 -10.673 -2.766 1.00 0.00 C ATOM 1656 CG GLU A 105 16.648 -10.327 -3.349 1.00 0.00 C ATOM 1657 CD GLU A 105 17.377 -11.603 -3.762 1.00 0.00 C ATOM 1658 OE1 GLU A 105 16.706 -12.581 -4.050 1.00 0.00 O ATOM 1659 OE2 GLU A 105 18.597 -11.582 -3.785 1.00 0.00 O ATOM 0 H GLU A 105 13.409 -11.756 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 105 16.274 -11.961 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.767 -11.392 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.650 -9.781 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.531 -9.670 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.239 -9.783 -2.612 1.00 0.00 H new ATOM 1666 N VAL A 106 14.787 -9.257 -0.133 1.00 0.00 N ATOM 1667 CA VAL A 106 14.985 -8.153 0.804 1.00 0.00 C ATOM 1668 C VAL A 106 15.659 -8.660 2.071 1.00 0.00 C ATOM 1669 O VAL A 106 16.534 -8.001 2.630 1.00 0.00 O ATOM 1670 CB VAL A 106 13.642 -7.515 1.167 1.00 0.00 C ATOM 1671 CG1 VAL A 106 12.907 -7.090 -0.109 1.00 0.00 C ATOM 1672 CG2 VAL A 106 12.791 -8.526 1.934 1.00 0.00 C ATOM 0 H VAL A 106 13.867 -9.284 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 106 15.619 -7.406 0.327 1.00 0.00 H new ATOM 0 HB VAL A 106 13.816 -6.637 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.952 -6.637 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.513 -6.367 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 106 12.732 -7.964 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.834 -8.073 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.620 -9.404 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.311 -8.822 2.845 1.00 0.00 H new ATOM 1682 N ASN A 107 15.247 -9.842 2.515 1.00 0.00 N ATOM 1683 CA ASN A 107 15.821 -10.435 3.711 1.00 0.00 C ATOM 1684 C ASN A 107 17.327 -10.580 3.550 1.00 0.00 C ATOM 1685 O ASN A 107 18.085 -10.387 4.501 1.00 0.00 O ATOM 1686 CB ASN A 107 15.194 -11.808 3.965 1.00 0.00 C ATOM 1687 CG ASN A 107 15.794 -12.431 5.221 1.00 0.00 C ATOM 1688 OD1 ASN A 107 17.013 -12.556 5.331 1.00 0.00 O ATOM 1689 ND2 ASN A 107 15.004 -12.829 6.180 1.00 0.00 N ATOM 0 H ASN A 107 14.523 -10.403 2.067 1.00 0.00 H new ATOM 0 HA ASN A 107 15.615 -9.784 4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.114 -11.709 4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 107 15.366 -12.460 3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.397 -13.245 7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 107 13.994 -12.724 6.085 1.00 0.00 H new ATOM 1696 N LYS A 108 17.756 -10.921 2.337 1.00 0.00 N ATOM 1697 CA LYS A 108 19.176 -11.087 2.064 1.00 0.00 C ATOM 1698 C LYS A 108 19.871 -9.728 1.985 1.00 0.00 C ATOM 1699 O LYS A 108 21.023 -9.589 2.396 1.00 0.00 O ATOM 1700 CB LYS A 108 19.372 -11.842 0.750 1.00 0.00 C ATOM 1701 CG LYS A 108 18.834 -13.266 0.897 1.00 0.00 C ATOM 1702 CD LYS A 108 19.173 -14.069 -0.356 1.00 0.00 C ATOM 1703 CE LYS A 108 18.626 -15.491 -0.217 1.00 0.00 C ATOM 1704 NZ LYS A 108 18.650 -16.165 -1.545 1.00 0.00 N ATOM 0 H LYS A 108 17.145 -11.086 1.537 1.00 0.00 H new ATOM 0 HA LYS A 108 19.618 -11.660 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 108 18.853 -11.327 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 108 20.429 -11.866 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.269 -13.742 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 108 17.755 -13.245 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.745 -13.588 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 108 20.253 -14.096 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 108 19.225 -16.054 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 108 17.608 -15.464 0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 18.278 -17.132 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.061 -15.631 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 19.628 -16.203 -1.897 1.00 0.00 H new ATOM 1835 N PRO A 116 6.506 -9.831 8.297 1.00 0.00 N ATOM 1836 CA PRO A 116 5.153 -10.426 8.543 1.00 0.00 C ATOM 1837 C PRO A 116 4.975 -11.789 7.876 1.00 0.00 C ATOM 1838 O PRO A 116 5.793 -12.202 7.053 1.00 0.00 O ATOM 1839 CB PRO A 116 4.200 -9.394 7.933 1.00 0.00 C ATOM 1840 CG PRO A 116 4.908 -8.088 8.079 1.00 0.00 C ATOM 1841 CD PRO A 116 6.405 -8.394 7.952 1.00 0.00 C ATOM 0 HA PRO A 116 4.979 -10.616 9.602 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.993 -9.617 6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 116 3.242 -9.385 8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.588 -7.384 7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 116 4.685 -7.630 9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 116 6.768 -8.199 6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 116 6.997 -7.778 8.629 1.00 0.00 H new ATOM 1849 N HIS A 117 3.891 -12.476 8.234 1.00 0.00 N ATOM 1850 CA HIS A 117 3.593 -13.790 7.662 1.00 0.00 C ATOM 1851 C HIS A 117 2.554 -13.653 6.555 1.00 0.00 C ATOM 1852 O HIS A 117 1.350 -13.703 6.809 1.00 0.00 O ATOM 1853 CB HIS A 117 3.062 -14.725 8.750 1.00 0.00 C ATOM 1854 CG HIS A 117 3.006 -16.132 8.220 1.00 0.00 C ATOM 1855 ND1 HIS A 117 4.151 -16.852 7.912 1.00 0.00 N ATOM 1856 CD2 HIS A 117 1.952 -16.964 7.938 1.00 0.00 C ATOM 1857 CE1 HIS A 117 3.760 -18.062 7.467 1.00 0.00 C ATOM 1858 NE2 HIS A 117 2.430 -18.181 7.463 1.00 0.00 N ATOM 0 H HIS A 117 3.206 -12.147 8.915 1.00 0.00 H new ATOM 0 HA HIS A 117 4.509 -14.208 7.245 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.706 -14.681 9.628 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.069 -14.405 9.067 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.910 -16.712 8.065 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.439 -18.840 7.152 1.00 0.00 H new ATOM 0 HE2 HIS A 117 1.882 -18.991 7.174 1.00 0.00 H new ATOM 1867 N ILE A 118 3.031 -13.472 5.325 1.00 0.00 N ATOM 1868 CA ILE A 118 2.140 -13.319 4.172 1.00 0.00 C ATOM 1869 C ILE A 118 2.014 -14.642 3.414 1.00 0.00 C ATOM 1870 O ILE A 118 3.015 -15.240 3.021 1.00 0.00 O ATOM 1871 CB ILE A 118 2.694 -12.224 3.223 1.00 0.00 C ATOM 1872 CG1 ILE A 118 4.248 -12.189 3.317 1.00 0.00 C ATOM 1873 CG2 ILE A 118 2.112 -10.853 3.608 1.00 0.00 C ATOM 1874 CD1 ILE A 118 4.707 -11.248 4.447 1.00 0.00 C ATOM 0 H ILE A 118 4.025 -13.428 5.100 1.00 0.00 H new ATOM 0 HA ILE A 118 1.153 -13.025 4.530 1.00 0.00 H new ATOM 0 HB ILE A 118 2.402 -12.455 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.629 -13.194 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 118 4.667 -11.856 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.506 -10.089 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.026 -10.883 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 118 2.392 -10.614 4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.796 -11.240 4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.345 -10.239 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.306 -11.599 5.398 1.00 0.00 H new ATOM 1886 N ASN A 119 0.772 -15.092 3.216 1.00 0.00 N ATOM 1887 CA ASN A 119 0.521 -16.351 2.501 1.00 0.00 C ATOM 1888 C ASN A 119 -0.535 -16.154 1.419 1.00 0.00 C ATOM 1889 O ASN A 119 -1.724 -16.040 1.711 1.00 0.00 O ATOM 1890 CB ASN A 119 0.051 -17.426 3.483 1.00 0.00 C ATOM 1891 CG ASN A 119 0.125 -18.802 2.826 1.00 0.00 C ATOM 1892 OD1 ASN A 119 1.131 -19.091 2.047 1.00 0.00 O flip ATOM 1893 ND2 ASN A 119 -0.759 -19.635 3.028 1.00 0.00 N flip ATOM 0 H ASN A 119 -0.069 -14.611 3.536 1.00 0.00 H new ATOM 0 HA ASN A 119 1.452 -16.669 2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 119 0.671 -17.408 4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -0.971 -17.219 3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.545 -19.407 3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.706 -20.553 2.586 1.00 0.00 H new ATOM 1900 N GLY A 120 -0.089 -16.115 0.167 1.00 0.00 N ATOM 1901 CA GLY A 120 -0.993 -15.932 -0.959 1.00 0.00 C ATOM 1902 C GLY A 120 -1.461 -17.271 -1.498 1.00 0.00 C ATOM 1903 O GLY A 120 -0.653 -18.154 -1.788 1.00 0.00 O ATOM 0 H GLY A 120 0.893 -16.208 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.853 -15.340 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -0.490 -15.373 -1.748 1.00 0.00 H new ATOM 1907 N GLN A 121 -2.772 -17.415 -1.636 1.00 0.00 N ATOM 1908 CA GLN A 121 -3.362 -18.653 -2.150 1.00 0.00 C ATOM 1909 C GLN A 121 -4.295 -18.333 -3.311 1.00 0.00 C ATOM 1910 O GLN A 121 -5.199 -17.525 -3.173 1.00 0.00 O ATOM 1911 CB GLN A 121 -4.136 -19.347 -1.033 1.00 0.00 C ATOM 1912 CG GLN A 121 -4.710 -20.666 -1.548 1.00 0.00 C ATOM 1913 CD GLN A 121 -5.188 -21.518 -0.379 1.00 0.00 C ATOM 1914 OE1 GLN A 121 -4.932 -21.185 0.779 1.00 0.00 O ATOM 1915 NE2 GLN A 121 -5.871 -22.605 -0.611 1.00 0.00 N ATOM 0 H GLN A 121 -3.451 -16.692 -1.400 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.572 -19.315 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -3.479 -19.532 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -4.941 -18.702 -0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -5.538 -20.470 -2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -3.952 -21.205 -2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -6.082 -22.880 -1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -6.194 -23.180 0.167 1.00 0.00 H new ATOM 1924 N LEU A 122 -4.057 -18.948 -4.464 1.00 0.00 N ATOM 1925 CA LEU A 122 -4.878 -18.683 -5.639 1.00 0.00 C ATOM 1926 C LEU A 122 -6.220 -19.426 -5.568 1.00 0.00 C ATOM 1927 O LEU A 122 -6.274 -20.617 -5.262 1.00 0.00 O ATOM 1928 CB LEU A 122 -4.098 -19.102 -6.915 1.00 0.00 C ATOM 1929 CG LEU A 122 -3.952 -17.912 -7.882 1.00 0.00 C ATOM 1930 CD1 LEU A 122 -2.902 -16.927 -7.348 1.00 0.00 C ATOM 1931 CD2 LEU A 122 -3.501 -18.433 -9.245 1.00 0.00 C ATOM 0 H LEU A 122 -3.310 -19.627 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.097 -17.616 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.112 -19.474 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.619 -19.920 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.910 -17.400 -7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.805 -16.089 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.213 -16.558 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.941 -17.434 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.395 -17.597 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.543 -18.942 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.243 -19.132 -9.631 1.00 0.00 H new ATOM 1943 N LEU A 123 -7.289 -18.698 -5.876 1.00 0.00 N ATOM 1944 CA LEU A 123 -8.650 -19.256 -5.878 1.00 0.00 C ATOM 1945 C LEU A 123 -9.198 -19.222 -7.315 1.00 0.00 C ATOM 1946 O LEU A 123 -8.495 -18.810 -8.237 1.00 0.00 O ATOM 1947 CB LEU A 123 -9.581 -18.432 -4.936 1.00 0.00 C ATOM 1948 CG LEU A 123 -8.748 -17.632 -3.921 1.00 0.00 C ATOM 1949 CD1 LEU A 123 -9.635 -16.578 -3.215 1.00 0.00 C ATOM 1950 CD2 LEU A 123 -8.158 -18.596 -2.879 1.00 0.00 C ATOM 0 H LEU A 123 -7.244 -17.711 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.619 -20.283 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -10.196 -17.753 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.261 -19.102 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.942 -17.117 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -9.034 -16.018 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -10.047 -15.894 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.449 -17.079 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -7.566 -18.033 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -8.967 -19.112 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.522 -19.327 -3.378 1.00 0.00 H new ATOM 1962 N PRO A 124 -10.424 -19.639 -7.523 1.00 0.00 N ATOM 1963 CA PRO A 124 -11.041 -19.642 -8.864 1.00 0.00 C ATOM 1964 C PRO A 124 -11.766 -18.324 -9.174 1.00 0.00 C ATOM 1965 O PRO A 124 -11.973 -17.492 -8.290 1.00 0.00 O ATOM 1966 CB PRO A 124 -12.023 -20.817 -8.790 1.00 0.00 C ATOM 1967 CG PRO A 124 -12.405 -20.938 -7.330 1.00 0.00 C ATOM 1968 CD PRO A 124 -11.354 -20.153 -6.510 1.00 0.00 C ATOM 0 HA PRO A 124 -10.306 -19.741 -9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -12.900 -20.634 -9.411 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -11.562 -21.736 -9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -13.403 -20.535 -7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -12.427 -21.984 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -11.814 -19.344 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -10.846 -20.797 -5.792 1.00 0.00 H new ATOM 1976 N ASN A 125 -12.144 -18.155 -10.436 1.00 0.00 N ATOM 1977 CA ASN A 125 -12.847 -16.950 -10.881 1.00 0.00 C ATOM 1978 C ASN A 125 -11.929 -15.726 -10.829 1.00 0.00 C ATOM 1979 O ASN A 125 -12.396 -14.592 -10.719 1.00 0.00 O ATOM 1980 CB ASN A 125 -14.084 -16.706 -10.010 1.00 0.00 C ATOM 1981 CG ASN A 125 -14.783 -18.030 -9.716 1.00 0.00 C ATOM 1982 OD1 ASN A 125 -15.333 -18.657 -10.620 1.00 0.00 O ATOM 1983 ND2 ASN A 125 -14.794 -18.493 -8.496 1.00 0.00 N ATOM 0 H ASN A 125 -11.976 -18.838 -11.174 1.00 0.00 H new ATOM 0 HA ASN A 125 -13.158 -17.105 -11.914 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -13.793 -16.224 -9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -14.770 -16.028 -10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -15.259 -19.377 -8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -14.337 -17.971 -7.748 1.00 0.00 H new ATOM 1990 N ASN A 126 -10.626 -15.967 -10.920 1.00 0.00 N ATOM 1991 CA ASN A 126 -9.647 -14.882 -10.894 1.00 0.00 C ATOM 1992 C ASN A 126 -9.653 -14.159 -9.543 1.00 0.00 C ATOM 1993 O ASN A 126 -9.635 -12.930 -9.485 1.00 0.00 O ATOM 1994 CB ASN A 126 -9.940 -13.884 -12.016 1.00 0.00 C ATOM 1995 CG ASN A 126 -10.360 -14.627 -13.279 1.00 0.00 C ATOM 1996 OD1 ASN A 126 -10.300 -15.856 -13.326 1.00 0.00 O ATOM 1997 ND2 ASN A 126 -10.786 -13.952 -14.313 1.00 0.00 N ATOM 0 H ASN A 126 -10.222 -16.899 -11.012 1.00 0.00 H new ATOM 0 HA ASN A 126 -8.659 -15.318 -11.043 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.730 -13.199 -11.708 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.055 -13.280 -12.217 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.070 -14.443 -15.161 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -10.835 -12.934 -14.272 1.00 0.00 H new ATOM 2004 N GLN A 127 -9.654 -14.936 -8.460 1.00 0.00 N ATOM 2005 CA GLN A 127 -9.636 -14.372 -7.103 1.00 0.00 C ATOM 2006 C GLN A 127 -8.420 -14.903 -6.354 1.00 0.00 C ATOM 2007 O GLN A 127 -7.990 -16.029 -6.583 1.00 0.00 O ATOM 2008 CB GLN A 127 -10.916 -14.754 -6.358 1.00 0.00 C ATOM 2009 CG GLN A 127 -12.110 -14.056 -7.009 1.00 0.00 C ATOM 2010 CD GLN A 127 -13.400 -14.473 -6.311 1.00 0.00 C ATOM 2011 OE1 GLN A 127 -14.288 -15.048 -6.939 1.00 0.00 O ATOM 2012 NE2 GLN A 127 -13.556 -14.216 -5.041 1.00 0.00 N ATOM 0 H GLN A 127 -9.667 -15.955 -8.492 1.00 0.00 H new ATOM 0 HA GLN A 127 -9.579 -13.285 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -11.055 -15.835 -6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -10.839 -14.466 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -11.987 -12.975 -6.949 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -12.160 -14.313 -8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -12.818 -13.739 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.416 -14.492 -4.567 1.00 0.00 H new ATOM 2021 N ILE A 128 -7.855 -14.081 -5.469 1.00 0.00 N ATOM 2022 CA ILE A 128 -6.668 -14.484 -4.708 1.00 0.00 C ATOM 2023 C ILE A 128 -6.852 -14.204 -3.222 1.00 0.00 C ATOM 2024 O ILE A 128 -7.180 -13.091 -2.829 1.00 0.00 O ATOM 2025 CB ILE A 128 -5.438 -13.731 -5.230 1.00 0.00 C ATOM 2026 CG1 ILE A 128 -5.322 -13.947 -6.750 1.00 0.00 C ATOM 2027 CG2 ILE A 128 -4.172 -14.261 -4.533 1.00 0.00 C ATOM 2028 CD1 ILE A 128 -4.232 -13.038 -7.322 1.00 0.00 C ATOM 0 H ILE A 128 -8.194 -13.142 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 128 -6.523 -15.556 -4.839 1.00 0.00 H new ATOM 0 HB ILE A 128 -5.543 -12.667 -5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -5.086 -14.990 -6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -6.276 -13.732 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -3.300 -13.724 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -4.259 -14.110 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -4.060 -15.325 -4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.155 -13.195 -8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -4.486 -11.997 -7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -3.278 -13.274 -6.851 1.00 0.00 H new ATOM 2040 N ALA A 129 -6.627 -15.224 -2.399 1.00 0.00 N ATOM 2041 CA ALA A 129 -6.759 -15.080 -0.949 1.00 0.00 C ATOM 2042 C ALA A 129 -5.394 -14.837 -0.326 1.00 0.00 C ATOM 2043 O ALA A 129 -4.538 -15.721 -0.311 1.00 0.00 O ATOM 2044 CB ALA A 129 -7.373 -16.344 -0.352 1.00 0.00 C ATOM 0 H ALA A 129 -6.353 -16.157 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 129 -7.409 -14.230 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.467 -16.228 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.359 -16.510 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.732 -17.198 -0.570 1.00 0.00 H new ATOM 2050 N LEU A 130 -5.200 -13.632 0.173 1.00 0.00 N ATOM 2051 CA LEU A 130 -3.945 -13.247 0.789 1.00 0.00 C ATOM 2052 C LEU A 130 -4.102 -13.133 2.300 1.00 0.00 C ATOM 2053 O LEU A 130 -4.762 -12.222 2.798 1.00 0.00 O ATOM 2054 CB LEU A 130 -3.532 -11.903 0.219 1.00 0.00 C ATOM 2055 CG LEU A 130 -2.132 -11.503 0.731 1.00 0.00 C ATOM 2056 CD1 LEU A 130 -1.060 -11.987 -0.247 1.00 0.00 C ATOM 2057 CD2 LEU A 130 -2.064 -9.985 0.841 1.00 0.00 C ATOM 0 H LEU A 130 -5.905 -12.895 0.163 1.00 0.00 H new ATOM 0 HA LEU A 130 -3.188 -14.003 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -3.527 -11.950 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -4.260 -11.143 0.502 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.957 -11.959 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -0.075 -11.701 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -1.113 -13.072 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -1.227 -11.534 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.079 -9.690 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -2.239 -9.541 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -2.825 -9.636 1.539 1.00 0.00 H new ATOM 2069 N ARG A 131 -3.478 -14.052 3.026 1.00 0.00 N ATOM 2070 CA ARG A 131 -3.544 -14.031 4.486 1.00 0.00 C ATOM 2071 C ARG A 131 -2.421 -13.159 5.043 1.00 0.00 C ATOM 2072 O ARG A 131 -1.306 -13.166 4.523 1.00 0.00 O ATOM 2073 CB ARG A 131 -3.413 -15.449 5.034 1.00 0.00 C ATOM 2074 CG ARG A 131 -3.723 -15.453 6.527 1.00 0.00 C ATOM 2075 CD ARG A 131 -3.415 -16.833 7.106 1.00 0.00 C ATOM 2076 NE ARG A 131 -4.416 -17.800 6.666 1.00 0.00 N ATOM 2077 CZ ARG A 131 -4.240 -19.104 6.853 1.00 0.00 C ATOM 2078 NH1 ARG A 131 -3.159 -19.539 7.441 1.00 0.00 N ATOM 2079 NH2 ARG A 131 -5.150 -19.949 6.450 1.00 0.00 N ATOM 0 H ARG A 131 -2.925 -14.815 2.635 1.00 0.00 H new ATOM 0 HA ARG A 131 -4.505 -13.618 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -4.096 -16.117 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.404 -15.824 4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -3.129 -14.693 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -4.771 -15.203 6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -2.423 -17.155 6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -3.401 -16.784 8.195 1.00 0.00 H new ATOM 0 HE ARG A 131 -5.265 -17.469 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -2.449 -18.878 7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -3.024 -20.540 7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -5.995 -19.608 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -5.016 -20.950 6.593 1.00 0.00 H new ATOM 2093 N TYR A 132 -2.720 -12.403 6.100 1.00 0.00 N ATOM 2094 CA TYR A 132 -1.717 -11.522 6.711 1.00 0.00 C ATOM 2095 C TYR A 132 -1.792 -11.583 8.234 1.00 0.00 C ATOM 2096 O TYR A 132 -2.877 -11.579 8.814 1.00 0.00 O ATOM 2097 CB TYR A 132 -1.941 -10.080 6.245 1.00 0.00 C ATOM 2098 CG TYR A 132 -0.965 -9.164 6.948 1.00 0.00 C ATOM 2099 CD1 TYR A 132 -1.286 -8.629 8.202 1.00 0.00 C ATOM 2100 CD2 TYR A 132 0.258 -8.852 6.345 1.00 0.00 C ATOM 2101 CE1 TYR A 132 -0.380 -7.782 8.853 1.00 0.00 C ATOM 2102 CE2 TYR A 132 1.163 -8.006 6.996 1.00 0.00 C ATOM 2103 CZ TYR A 132 0.844 -7.470 8.251 1.00 0.00 C ATOM 2104 OH TYR A 132 1.737 -6.634 8.891 1.00 0.00 O ATOM 0 H TYR A 132 -3.636 -12.380 6.548 1.00 0.00 H new ATOM 0 HA TYR A 132 -0.729 -11.861 6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.808 -10.011 5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.964 -9.772 6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.231 -8.869 8.666 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.504 -9.264 5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -0.626 -7.369 9.820 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.108 -7.766 6.531 1.00 0.00 H new ATOM 0 HH TYR A 132 2.537 -6.523 8.336 1.00 0.00 H new ATOM 2114 N SER A 133 -0.624 -11.629 8.874 1.00 0.00 N ATOM 2115 CA SER A 133 -0.560 -11.678 10.334 1.00 0.00 C ATOM 2116 C SER A 133 0.715 -11.004 10.832 1.00 0.00 C ATOM 2117 O SER A 133 1.797 -11.224 10.288 1.00 0.00 O ATOM 2118 CB SER A 133 -0.592 -13.131 10.808 1.00 0.00 C ATOM 2119 OG SER A 133 0.731 -13.652 10.816 1.00 0.00 O ATOM 0 H SER A 133 0.284 -11.633 8.409 1.00 0.00 H new ATOM 0 HA SER A 133 -1.422 -11.147 10.739 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.025 -13.190 11.807 1.00 0.00 H new ATOM 0 HB3 SER A 133 -1.226 -13.726 10.150 1.00 0.00 H new ATOM 0 HG SER A 133 0.714 -14.583 11.121 1.00 0.00 H new ATOM 2125 N SER A 134 0.582 -10.182 11.868 1.00 0.00 N ATOM 2126 CA SER A 134 1.735 -9.483 12.427 1.00 0.00 C ATOM 2127 C SER A 134 1.334 -8.718 13.694 1.00 0.00 C ATOM 2128 O SER A 134 0.164 -8.382 13.879 1.00 0.00 O ATOM 2129 CB SER A 134 2.304 -8.504 11.383 1.00 0.00 C ATOM 2130 OG SER A 134 2.685 -7.290 12.024 1.00 0.00 O ATOM 0 H SER A 134 -0.303 -9.984 12.334 1.00 0.00 H new ATOM 0 HA SER A 134 2.498 -10.216 12.689 1.00 0.00 H new ATOM 0 HB2 SER A 134 3.165 -8.949 10.884 1.00 0.00 H new ATOM 0 HB3 SER A 134 1.558 -8.303 10.614 1.00 0.00 H new ATOM 0 HG SER A 134 3.048 -6.669 11.359 1.00 0.00 H new ATOM 2217 N CYS A 139 -1.760 -3.772 8.876 1.00 0.00 N ATOM 2218 CA CYS A 139 -2.340 -4.313 7.654 1.00 0.00 C ATOM 2219 C CYS A 139 -2.794 -3.186 6.732 1.00 0.00 C ATOM 2220 O CYS A 139 -2.675 -3.285 5.511 1.00 0.00 O ATOM 2221 CB CYS A 139 -3.532 -5.208 7.995 1.00 0.00 C ATOM 2222 SG CYS A 139 -3.071 -6.348 9.323 1.00 0.00 S ATOM 0 HA CYS A 139 -1.579 -4.901 7.141 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -4.381 -4.598 8.303 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -3.844 -5.767 7.113 1.00 0.00 H new ATOM 0 HG CYS A 139 -2.116 -7.129 8.912 1.00 0.00 H new ATOM 2228 N PHE A 140 -3.320 -2.117 7.323 1.00 0.00 N ATOM 2229 CA PHE A 140 -3.792 -0.981 6.544 1.00 0.00 C ATOM 2230 C PHE A 140 -2.765 -0.606 5.472 1.00 0.00 C ATOM 2231 O PHE A 140 -3.123 -0.155 4.384 1.00 0.00 O ATOM 2232 CB PHE A 140 -4.048 0.226 7.489 1.00 0.00 C ATOM 2233 CG PHE A 140 -5.466 0.739 7.315 1.00 0.00 C ATOM 2234 CD1 PHE A 140 -5.963 1.000 6.034 1.00 0.00 C ATOM 2235 CD2 PHE A 140 -6.279 0.948 8.437 1.00 0.00 C ATOM 2236 CE1 PHE A 140 -7.270 1.469 5.873 1.00 0.00 C ATOM 2237 CE2 PHE A 140 -7.584 1.416 8.277 1.00 0.00 C ATOM 2238 CZ PHE A 140 -8.082 1.677 6.995 1.00 0.00 C ATOM 0 H PHE A 140 -3.429 -2.015 8.332 1.00 0.00 H new ATOM 0 HA PHE A 140 -4.724 -1.252 6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 140 -3.887 -0.073 8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 140 -3.336 1.023 7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 140 -5.337 0.839 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -5.895 0.747 9.426 1.00 0.00 H new ATOM 0 HE1 PHE A 140 -7.653 1.671 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -8.210 1.577 9.142 1.00 0.00 H new ATOM 0 HZ PHE A 140 -9.092 2.039 6.871 1.00 0.00 H new ATOM 2248 N CYS A 141 -1.489 -0.796 5.792 1.00 0.00 N ATOM 2249 CA CYS A 141 -0.418 -0.477 4.855 1.00 0.00 C ATOM 2250 C CYS A 141 -0.372 -1.498 3.724 1.00 0.00 C ATOM 2251 O CYS A 141 -0.173 -1.144 2.562 1.00 0.00 O ATOM 2252 CB CYS A 141 0.924 -0.469 5.587 1.00 0.00 C ATOM 2253 SG CYS A 141 2.267 -0.311 4.383 1.00 0.00 S ATOM 0 H CYS A 141 -1.173 -1.167 6.688 1.00 0.00 H new ATOM 0 HA CYS A 141 -0.612 0.509 4.432 1.00 0.00 H new ATOM 0 HB2 CYS A 141 0.958 0.358 6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 141 1.042 -1.388 6.162 1.00 0.00 H new ATOM 0 HG CYS A 141 3.409 -0.302 5.005 1.00 0.00 H new ATOM 2259 N ALA A 142 -0.552 -2.766 4.075 1.00 0.00 N ATOM 2260 CA ALA A 142 -0.523 -3.838 3.085 1.00 0.00 C ATOM 2261 C ALA A 142 -1.552 -3.599 1.990 1.00 0.00 C ATOM 2262 O ALA A 142 -1.298 -3.880 0.818 1.00 0.00 O ATOM 2263 CB ALA A 142 -0.791 -5.178 3.761 1.00 0.00 C ATOM 0 H ALA A 142 -0.719 -3.077 5.032 1.00 0.00 H new ATOM 0 HA ALA A 142 0.467 -3.852 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -0.768 -5.973 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -0.026 -5.365 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -1.771 -5.156 4.237 1.00 0.00 H new ATOM 2269 N GLU A 143 -2.710 -3.075 2.367 1.00 0.00 N ATOM 2270 CA GLU A 143 -3.755 -2.804 1.392 1.00 0.00 C ATOM 2271 C GLU A 143 -3.264 -1.784 0.371 1.00 0.00 C ATOM 2272 O GLU A 143 -3.342 -2.011 -0.836 1.00 0.00 O ATOM 2273 CB GLU A 143 -5.008 -2.273 2.094 1.00 0.00 C ATOM 2274 CG GLU A 143 -5.728 -3.425 2.795 1.00 0.00 C ATOM 2275 CD GLU A 143 -6.967 -2.904 3.515 1.00 0.00 C ATOM 2276 OE1 GLU A 143 -7.138 -1.696 3.562 1.00 0.00 O ATOM 2277 OE2 GLU A 143 -7.727 -3.719 4.011 1.00 0.00 O ATOM 0 H GLU A 143 -2.947 -2.832 3.329 1.00 0.00 H new ATOM 0 HA GLU A 143 -4.004 -3.733 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -4.734 -1.507 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -5.672 -1.803 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -6.013 -4.184 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -5.057 -3.904 3.508 1.00 0.00 H new ATOM 2284 N GLY A 144 -2.759 -0.659 0.867 1.00 0.00 N ATOM 2285 CA GLY A 144 -2.258 0.394 -0.006 1.00 0.00 C ATOM 2286 C GLY A 144 -1.198 -0.137 -0.967 1.00 0.00 C ATOM 2287 O GLY A 144 -1.201 0.197 -2.150 1.00 0.00 O ATOM 0 H GLY A 144 -2.686 -0.455 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -3.084 0.822 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -1.835 1.198 0.597 1.00 0.00 H new ATOM 2291 N LEU A 145 -0.289 -0.962 -0.451 1.00 0.00 N ATOM 2292 CA LEU A 145 0.773 -1.524 -1.283 1.00 0.00 C ATOM 2293 C LEU A 145 0.186 -2.308 -2.456 1.00 0.00 C ATOM 2294 O LEU A 145 0.653 -2.189 -3.589 1.00 0.00 O ATOM 2295 CB LEU A 145 1.667 -2.454 -0.448 1.00 0.00 C ATOM 2296 CG LEU A 145 2.536 -1.628 0.519 1.00 0.00 C ATOM 2297 CD1 LEU A 145 3.150 -2.556 1.580 1.00 0.00 C ATOM 2298 CD2 LEU A 145 3.671 -0.921 -0.258 1.00 0.00 C ATOM 0 H LEU A 145 -0.265 -1.253 0.526 1.00 0.00 H new ATOM 0 HA LEU A 145 1.369 -0.698 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.050 -3.155 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 145 2.304 -3.046 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 145 1.911 -0.878 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 145 3.765 -1.970 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 145 2.353 -3.047 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 145 3.768 -3.309 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 145 4.279 -0.340 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 145 4.295 -1.667 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 145 3.240 -0.257 -1.007 1.00 0.00 H new ATOM 2310 N LEU A 146 -0.830 -3.116 -2.175 1.00 0.00 N ATOM 2311 CA LEU A 146 -1.462 -3.925 -3.214 1.00 0.00 C ATOM 2312 C LEU A 146 -2.065 -3.044 -4.311 1.00 0.00 C ATOM 2313 O LEU A 146 -1.992 -3.383 -5.492 1.00 0.00 O ATOM 2314 CB LEU A 146 -2.560 -4.801 -2.603 1.00 0.00 C ATOM 2315 CG LEU A 146 -1.928 -5.889 -1.713 1.00 0.00 C ATOM 2316 CD1 LEU A 146 -3.004 -6.490 -0.805 1.00 0.00 C ATOM 2317 CD2 LEU A 146 -1.316 -7.006 -2.587 1.00 0.00 C ATOM 0 H LEU A 146 -1.232 -3.229 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 146 -0.694 -4.557 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -3.241 -4.187 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -3.151 -5.263 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 146 -1.141 -5.439 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -2.559 -7.260 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -3.429 -5.707 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.791 -6.932 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -0.873 -7.768 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -2.096 -7.457 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -0.546 -6.583 -3.232 1.00 0.00 H new ATOM 2329 N PHE A 147 -2.662 -1.920 -3.921 1.00 0.00 N ATOM 2330 CA PHE A 147 -3.272 -1.014 -4.893 1.00 0.00 C ATOM 2331 C PHE A 147 -2.205 -0.258 -5.682 1.00 0.00 C ATOM 2332 O PHE A 147 -2.387 0.040 -6.862 1.00 0.00 O ATOM 2333 CB PHE A 147 -4.173 -0.008 -4.172 1.00 0.00 C ATOM 2334 CG PHE A 147 -5.387 -0.721 -3.614 1.00 0.00 C ATOM 2335 CD1 PHE A 147 -6.328 -1.288 -4.484 1.00 0.00 C ATOM 2336 CD2 PHE A 147 -5.572 -0.818 -2.226 1.00 0.00 C ATOM 2337 CE1 PHE A 147 -7.449 -1.949 -3.969 1.00 0.00 C ATOM 2338 CE2 PHE A 147 -6.694 -1.479 -1.713 1.00 0.00 C ATOM 2339 CZ PHE A 147 -7.632 -2.045 -2.585 1.00 0.00 C ATOM 0 H PHE A 147 -2.737 -1.616 -2.950 1.00 0.00 H new ATOM 0 HA PHE A 147 -3.863 -1.611 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -3.622 0.477 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -4.485 0.776 -4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -6.188 -1.215 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -4.848 -0.382 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.174 -2.385 -4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -6.836 -1.552 -0.645 1.00 0.00 H new ATOM 0 HZ PHE A 147 -8.497 -2.556 -2.189 1.00 0.00 H new ATOM 2349 N GLY A 148 -1.095 0.054 -5.022 1.00 0.00 N ATOM 2350 CA GLY A 148 -0.011 0.782 -5.670 1.00 0.00 C ATOM 2351 C GLY A 148 0.530 0.012 -6.870 1.00 0.00 C ATOM 2352 O GLY A 148 0.831 0.597 -7.911 1.00 0.00 O ATOM 0 H GLY A 148 -0.923 -0.184 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 148 -0.368 1.760 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.792 0.956 -4.954 1.00 0.00 H new ATOM 2356 N ALA A 149 0.654 -1.301 -6.716 1.00 0.00 N ATOM 2357 CA ALA A 149 1.167 -2.142 -7.794 1.00 0.00 C ATOM 2358 C ALA A 149 0.081 -2.421 -8.834 1.00 0.00 C ATOM 2359 O ALA A 149 0.371 -2.591 -10.018 1.00 0.00 O ATOM 2360 CB ALA A 149 1.681 -3.464 -7.219 1.00 0.00 C ATOM 0 H ALA A 149 0.409 -1.804 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 149 1.985 -1.612 -8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 149 2.063 -4.088 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 149 2.481 -3.264 -6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 149 0.866 -3.982 -6.714 1.00 0.00 H new ATOM 2366 N ALA A 150 -1.169 -2.465 -8.385 1.00 0.00 N ATOM 2367 CA ALA A 150 -2.283 -2.725 -9.291 1.00 0.00 C ATOM 2368 C ALA A 150 -2.429 -1.594 -10.307 1.00 0.00 C ATOM 2369 O ALA A 150 -2.509 -1.836 -11.510 1.00 0.00 O ATOM 2370 CB ALA A 150 -3.580 -2.874 -8.496 1.00 0.00 C ATOM 0 H ALA A 150 -1.435 -2.326 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.079 -3.652 -9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -4.406 -3.068 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -3.485 -3.705 -7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -3.775 -1.955 -7.943 1.00 0.00 H new ATOM 2376 N GLN A 151 -2.452 -0.362 -9.815 1.00 0.00 N ATOM 2377 CA GLN A 151 -2.578 0.793 -10.694 1.00 0.00 C ATOM 2378 C GLN A 151 -1.394 0.845 -11.651 1.00 0.00 C ATOM 2379 O GLN A 151 -1.558 1.027 -12.854 1.00 0.00 O ATOM 2380 CB GLN A 151 -2.631 2.080 -9.869 1.00 0.00 C ATOM 2381 CG GLN A 151 -3.883 2.072 -8.990 1.00 0.00 C ATOM 2382 CD GLN A 151 -3.968 3.368 -8.192 1.00 0.00 C ATOM 2383 OE1 GLN A 151 -3.046 3.701 -7.447 1.00 0.00 O ATOM 2384 NE2 GLN A 151 -5.027 4.124 -8.302 1.00 0.00 N ATOM 0 H GLN A 151 -2.386 -0.138 -8.822 1.00 0.00 H new ATOM 0 HA GLN A 151 -3.501 0.701 -11.267 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -1.739 2.164 -9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -2.643 2.947 -10.529 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -4.772 1.958 -9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -3.856 1.219 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -5.790 3.846 -8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -5.091 4.992 -7.770 1.00 0.00 H new ATOM 2393 N HIS A 152 -0.199 0.689 -11.095 1.00 0.00 N ATOM 2394 CA HIS A 152 1.024 0.720 -11.892 1.00 0.00 C ATOM 2395 C HIS A 152 0.836 -0.040 -13.207 1.00 0.00 C ATOM 2396 O HIS A 152 1.487 0.263 -14.208 1.00 0.00 O ATOM 2397 CB HIS A 152 2.175 0.088 -11.094 1.00 0.00 C ATOM 2398 CG HIS A 152 3.496 0.531 -11.669 1.00 0.00 C ATOM 2399 ND1 HIS A 152 4.107 0.274 -12.871 1.00 0.00 N flip ATOM 2400 CD2 HIS A 152 4.368 1.352 -10.969 1.00 0.00 C flip ATOM 2401 CE1 HIS A 152 5.336 0.922 -12.921 1.00 0.00 C flip ATOM 2402 NE2 HIS A 152 5.445 1.557 -11.751 1.00 0.00 N flip ATOM 0 H HIS A 152 -0.049 0.540 -10.097 1.00 0.00 H new ATOM 0 HA HIS A 152 1.260 1.759 -12.122 1.00 0.00 H new ATOM 0 HB2 HIS A 152 2.107 0.381 -10.046 1.00 0.00 H new ATOM 0 HB3 HIS A 152 2.099 -0.999 -11.127 1.00 0.00 H new ATOM 0 HD1 HIS A 152 3.718 -0.305 -13.615 1.00 0.00 H new ATOM 0 HD2 HIS A 152 4.212 1.753 -9.979 1.00 0.00 H new ATOM 0 HE1 HIS A 152 6.049 0.914 -13.732 1.00 0.00 H new ATOM 2411 N PHE A 153 -0.057 -1.037 -13.194 1.00 0.00 N ATOM 2412 CA PHE A 153 -0.323 -1.848 -14.397 1.00 0.00 C ATOM 2413 C PHE A 153 -1.761 -1.657 -14.884 1.00 0.00 C ATOM 2414 O PHE A 153 -2.361 -2.578 -15.437 1.00 0.00 O ATOM 2415 CB PHE A 153 -0.084 -3.336 -14.086 1.00 0.00 C ATOM 2416 CG PHE A 153 1.060 -3.467 -13.108 1.00 0.00 C ATOM 2417 CD1 PHE A 153 2.261 -2.790 -13.344 1.00 0.00 C ATOM 2418 CD2 PHE A 153 0.916 -4.260 -11.963 1.00 0.00 C ATOM 2419 CE1 PHE A 153 3.318 -2.906 -12.438 1.00 0.00 C ATOM 2420 CE2 PHE A 153 1.975 -4.376 -11.056 1.00 0.00 C ATOM 2421 CZ PHE A 153 3.175 -3.699 -11.294 1.00 0.00 C ATOM 0 H PHE A 153 -0.604 -1.303 -12.375 1.00 0.00 H new ATOM 0 HA PHE A 153 0.356 -1.519 -15.183 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.987 -3.781 -13.668 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.144 -3.879 -15.004 1.00 0.00 H new ATOM 0 HD1 PHE A 153 2.371 -2.178 -14.227 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.012 -4.782 -11.780 1.00 0.00 H new ATOM 0 HE1 PHE A 153 4.245 -2.384 -12.621 1.00 0.00 H new ATOM 0 HE2 PHE A 153 1.866 -4.988 -10.173 1.00 0.00 H new ATOM 0 HZ PHE A 153 3.993 -3.788 -10.594 1.00 0.00 H new ATOM 2431 N GLN A 154 -2.308 -0.462 -14.675 1.00 0.00 N ATOM 2432 CA GLN A 154 -3.680 -0.169 -15.100 1.00 0.00 C ATOM 2433 C GLN A 154 -4.595 -1.366 -14.836 1.00 0.00 C ATOM 2434 O GLN A 154 -5.445 -1.704 -15.659 1.00 0.00 O ATOM 2435 CB GLN A 154 -3.703 0.179 -16.594 1.00 0.00 C ATOM 2436 CG GLN A 154 -4.991 0.945 -16.926 1.00 0.00 C ATOM 2437 CD GLN A 154 -4.843 2.416 -16.542 1.00 0.00 C ATOM 2438 OE1 GLN A 154 -3.895 2.775 -15.721 1.00 0.00 O flip ATOM 2439 NE2 GLN A 154 -5.612 3.259 -17.004 1.00 0.00 N flip ATOM 0 H GLN A 154 -1.830 0.315 -14.218 1.00 0.00 H new ATOM 0 HA GLN A 154 -4.044 0.682 -14.524 1.00 0.00 H new ATOM 0 HB2 GLN A 154 -2.833 0.783 -16.850 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -3.646 -0.732 -17.190 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -5.210 0.860 -17.990 1.00 0.00 H new ATOM 0 HG3 GLN A 154 -5.833 0.505 -16.391 1.00 0.00 H new ATOM 0 HE21 GLN A 154 -6.353 2.976 -17.646 1.00 0.00 H new ATOM 0 HE22 GLN A 154 -5.508 4.240 -16.745 1.00 0.00 H new ATOM 2448 N GLN A 155 -4.408 -2.005 -13.679 1.00 0.00 N ATOM 2449 CA GLN A 155 -5.209 -3.165 -13.300 1.00 0.00 C ATOM 2450 C GLN A 155 -6.042 -2.845 -12.061 1.00 0.00 C ATOM 2451 O GLN A 155 -5.508 -2.693 -10.965 1.00 0.00 O ATOM 2452 CB GLN A 155 -4.275 -4.351 -13.018 1.00 0.00 C ATOM 2453 CG GLN A 155 -5.080 -5.547 -12.507 1.00 0.00 C ATOM 2454 CD GLN A 155 -6.196 -5.895 -13.487 1.00 0.00 C ATOM 2455 OE1 GLN A 155 -5.956 -6.564 -14.492 1.00 0.00 O ATOM 2456 NE2 GLN A 155 -7.410 -5.476 -13.254 1.00 0.00 N ATOM 0 H GLN A 155 -3.707 -1.736 -12.989 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.886 -3.422 -14.115 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.739 -4.625 -13.927 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.525 -4.066 -12.280 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -4.422 -6.406 -12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -5.504 -5.317 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -7.607 -4.922 -12.421 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -8.162 -5.703 -13.905 1.00 0.00 H new ATOM 2465 N LYS A 156 -7.354 -2.736 -12.249 1.00 0.00 N ATOM 2466 CA LYS A 156 -8.257 -2.426 -11.139 1.00 0.00 C ATOM 2467 C LYS A 156 -8.606 -3.687 -10.352 1.00 0.00 C ATOM 2468 O LYS A 156 -8.805 -4.755 -10.930 1.00 0.00 O ATOM 2469 CB LYS A 156 -9.536 -1.787 -11.675 1.00 0.00 C ATOM 2470 CG LYS A 156 -9.198 -0.443 -12.321 1.00 0.00 C ATOM 2471 CD LYS A 156 -10.391 0.043 -13.146 1.00 0.00 C ATOM 2472 CE LYS A 156 -11.576 0.333 -12.220 1.00 0.00 C ATOM 2473 NZ LYS A 156 -12.575 1.172 -12.939 1.00 0.00 N ATOM 0 H LYS A 156 -7.815 -2.856 -13.151 1.00 0.00 H new ATOM 0 HA LYS A 156 -7.751 -1.729 -10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 156 -10.007 -2.446 -12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 156 -10.252 -1.644 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 156 -8.951 0.290 -11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 156 -8.319 -0.545 -12.958 1.00 0.00 H new ATOM 0 HD2 LYS A 156 -10.121 0.943 -13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 156 -10.668 -0.712 -13.882 1.00 0.00 H new ATOM 0 HE2 LYS A 156 -12.035 -0.601 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 156 -11.232 0.847 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 -13.380 1.369 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 -12.133 2.068 -13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 -12.911 0.665 -13.783 1.00 0.00 H new ATOM 2487 N ILE A 157 -8.676 -3.554 -9.026 1.00 0.00 N ATOM 2488 CA ILE A 157 -8.997 -4.690 -8.162 1.00 0.00 C ATOM 2489 C ILE A 157 -9.749 -4.235 -6.917 1.00 0.00 C ATOM 2490 O ILE A 157 -9.822 -3.042 -6.623 1.00 0.00 O ATOM 2491 CB ILE A 157 -7.713 -5.397 -7.728 1.00 0.00 C ATOM 2492 CG1 ILE A 157 -6.750 -4.383 -7.075 1.00 0.00 C ATOM 2493 CG2 ILE A 157 -7.042 -6.026 -8.948 1.00 0.00 C ATOM 2494 CD1 ILE A 157 -5.772 -5.124 -6.164 1.00 0.00 C ATOM 0 H ILE A 157 -8.516 -2.677 -8.530 1.00 0.00 H new ATOM 0 HA ILE A 157 -9.628 -5.373 -8.731 1.00 0.00 H new ATOM 0 HB ILE A 157 -7.958 -6.174 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -6.204 -3.836 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -7.314 -3.648 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -6.126 -6.530 -8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -7.719 -6.749 -9.403 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.801 -5.248 -9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -5.091 -4.409 -5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -6.326 -5.651 -5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -5.200 -5.842 -6.752 1.00 0.00 H new ATOM 2506 N GLN A 158 -10.288 -5.201 -6.179 1.00 0.00 N ATOM 2507 CA GLN A 158 -11.020 -4.908 -4.946 1.00 0.00 C ATOM 2508 C GLN A 158 -10.517 -5.808 -3.825 1.00 0.00 C ATOM 2509 O GLN A 158 -10.271 -6.992 -4.038 1.00 0.00 O ATOM 2510 CB GLN A 158 -12.517 -5.130 -5.154 1.00 0.00 C ATOM 2511 CG GLN A 158 -13.286 -4.564 -3.959 1.00 0.00 C ATOM 2512 CD GLN A 158 -14.777 -4.837 -4.121 1.00 0.00 C ATOM 2513 OE1 GLN A 158 -15.188 -5.991 -4.249 1.00 0.00 O ATOM 2514 NE2 GLN A 158 -15.617 -3.839 -4.124 1.00 0.00 N ATOM 0 H GLN A 158 -10.233 -6.193 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 158 -10.853 -3.865 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 158 -12.843 -4.644 -6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 158 -12.726 -6.194 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 158 -12.923 -5.016 -3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 158 -13.111 -3.491 -3.879 1.00 0.00 H new ATOM 0 HE21 GLN A 158 -15.275 -2.884 -4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 158 -16.616 -4.014 -4.232 1.00 0.00 H new ATOM 2523 N ILE A 159 -10.360 -5.236 -2.627 1.00 0.00 N ATOM 2524 CA ILE A 159 -9.873 -6.007 -1.473 1.00 0.00 C ATOM 2525 C ILE A 159 -10.889 -6.016 -0.344 1.00 0.00 C ATOM 2526 O ILE A 159 -11.378 -4.969 0.080 1.00 0.00 O ATOM 2527 CB ILE A 159 -8.547 -5.426 -0.968 1.00 0.00 C ATOM 2528 CG1 ILE A 159 -7.488 -5.582 -2.071 1.00 0.00 C ATOM 2529 CG2 ILE A 159 -8.099 -6.186 0.299 1.00 0.00 C ATOM 2530 CD1 ILE A 159 -6.127 -5.110 -1.559 1.00 0.00 C ATOM 0 H ILE A 159 -10.559 -4.255 -2.430 1.00 0.00 H new ATOM 0 HA ILE A 159 -9.718 -7.034 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 159 -8.671 -4.371 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.427 -6.625 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -7.777 -5.003 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -7.156 -5.772 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -8.859 -6.082 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -7.965 -7.241 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -5.382 -5.224 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.191 -4.061 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -5.836 -5.708 -0.695 1.00 0.00 H new ATOM 2542 N SER A 160 -11.191 -7.217 0.151 1.00 0.00 N ATOM 2543 CA SER A 160 -12.140 -7.378 1.250 1.00 0.00 C ATOM 2544 C SER A 160 -11.403 -7.784 2.524 1.00 0.00 C ATOM 2545 O SER A 160 -11.049 -8.948 2.710 1.00 0.00 O ATOM 2546 CB SER A 160 -13.182 -8.439 0.893 1.00 0.00 C ATOM 2547 OG SER A 160 -14.109 -7.893 -0.039 1.00 0.00 O ATOM 0 H SER A 160 -10.792 -8.091 -0.192 1.00 0.00 H new ATOM 0 HA SER A 160 -12.645 -6.427 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 160 -12.694 -9.316 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 160 -13.704 -8.770 1.791 1.00 0.00 H new ATOM 0 HG SER A 160 -14.777 -8.571 -0.271 1.00 0.00 H new ATOM 2553 N HIS A 161 -11.172 -6.801 3.394 1.00 0.00 N ATOM 2554 CA HIS A 161 -10.470 -7.035 4.659 1.00 0.00 C ATOM 2555 C HIS A 161 -11.470 -7.106 5.813 1.00 0.00 C ATOM 2556 O HIS A 161 -11.627 -6.149 6.572 1.00 0.00 O ATOM 2557 CB HIS A 161 -9.466 -5.894 4.891 1.00 0.00 C ATOM 2558 CG HIS A 161 -8.943 -5.921 6.305 1.00 0.00 C ATOM 2559 ND1 HIS A 161 -8.183 -6.970 6.799 1.00 0.00 N ATOM 2560 CD2 HIS A 161 -9.039 -5.015 7.331 1.00 0.00 C ATOM 2561 CE1 HIS A 161 -7.852 -6.667 8.066 1.00 0.00 C ATOM 2562 NE2 HIS A 161 -8.349 -5.485 8.439 1.00 0.00 N ATOM 0 H HIS A 161 -11.460 -5.834 3.247 1.00 0.00 H new ATOM 0 HA HIS A 161 -9.937 -7.985 4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 161 -8.637 -5.985 4.190 1.00 0.00 H new ATOM 0 HB3 HIS A 161 -9.946 -4.935 4.694 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -9.572 -4.077 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 161 -7.256 -7.302 8.705 1.00 0.00 H new ATOM 0 HE2 HIS A 161 -8.244 -5.026 9.344 1.00 0.00 H new ATOM 2571 N ASP A 162 -12.150 -8.248 5.934 1.00 0.00 N ATOM 2572 CA ASP A 162 -13.139 -8.437 6.994 1.00 0.00 C ATOM 2573 C ASP A 162 -12.482 -8.996 8.249 1.00 0.00 C ATOM 2574 O ASP A 162 -12.837 -8.613 9.364 1.00 0.00 O ATOM 2575 CB ASP A 162 -14.241 -9.386 6.523 1.00 0.00 C ATOM 2576 CG ASP A 162 -15.349 -9.458 7.567 1.00 0.00 C ATOM 2577 OD1 ASP A 162 -16.203 -8.587 7.557 1.00 0.00 O ATOM 2578 OD2 ASP A 162 -15.328 -10.384 8.362 1.00 0.00 O ATOM 0 H ASP A 162 -12.034 -9.050 5.315 1.00 0.00 H new ATOM 0 HA ASP A 162 -13.576 -7.467 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -14.648 -9.041 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -13.827 -10.380 6.351 1.00 0.00 H new ATOM 2583 N THR A 163 -11.514 -9.894 8.070 1.00 0.00 N ATOM 2584 CA THR A 163 -10.817 -10.474 9.217 1.00 0.00 C ATOM 2585 C THR A 163 -9.598 -9.633 9.558 1.00 0.00 C ATOM 2586 O THR A 163 -8.750 -9.382 8.702 1.00 0.00 O ATOM 2587 CB THR A 163 -10.385 -11.918 8.915 1.00 0.00 C ATOM 2588 OG1 THR A 163 -11.405 -12.570 8.172 1.00 0.00 O ATOM 2589 CG2 THR A 163 -10.148 -12.668 10.230 1.00 0.00 C ATOM 0 H THR A 163 -11.199 -10.231 7.160 1.00 0.00 H new ATOM 0 HA THR A 163 -11.499 -10.486 10.067 1.00 0.00 H new ATOM 0 HB THR A 163 -9.463 -11.908 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 163 -11.130 -13.490 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 163 -9.842 -13.692 10.015 1.00 0.00 H new ATOM 0 HG22 THR A 163 -9.365 -12.167 10.799 1.00 0.00 H new ATOM 0 HG23 THR A 163 -11.069 -12.680 10.813 1.00 0.00 H new ATOM 2597 N CYS A 164 -9.517 -9.185 10.806 1.00 0.00 N ATOM 2598 CA CYS A 164 -8.395 -8.358 11.238 1.00 0.00 C ATOM 2599 C CYS A 164 -8.015 -8.661 12.681 1.00 0.00 C ATOM 2600 O CYS A 164 -8.859 -8.642 13.576 1.00 0.00 O ATOM 2601 CB CYS A 164 -8.763 -6.878 11.106 1.00 0.00 C ATOM 2602 SG CYS A 164 -7.251 -5.886 11.023 1.00 0.00 S ATOM 0 H CYS A 164 -10.208 -9.378 11.531 1.00 0.00 H new ATOM 0 HA CYS A 164 -7.540 -8.584 10.601 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -9.364 -6.720 10.210 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -9.370 -6.566 11.956 1.00 0.00 H new ATOM 0 HG CYS A 164 -7.553 -4.625 11.122 1.00 0.00 H new ATOM 2608 N MET A 165 -6.733 -8.927 12.898 1.00 0.00 N ATOM 2609 CA MET A 165 -6.238 -9.217 14.234 1.00 0.00 C ATOM 2610 C MET A 165 -6.674 -8.125 15.202 1.00 0.00 C ATOM 2611 O MET A 165 -6.793 -8.353 16.405 1.00 0.00 O ATOM 2612 CB MET A 165 -4.709 -9.300 14.213 1.00 0.00 C ATOM 2613 CG MET A 165 -4.204 -9.816 15.561 1.00 0.00 C ATOM 2614 SD MET A 165 -2.395 -9.762 15.586 1.00 0.00 S ATOM 2615 CE MET A 165 -2.166 -10.535 17.205 1.00 0.00 C ATOM 0 H MET A 165 -6.021 -8.947 12.168 1.00 0.00 H new ATOM 0 HA MET A 165 -6.649 -10.171 14.563 1.00 0.00 H new ATOM 0 HB2 MET A 165 -4.382 -9.964 13.413 1.00 0.00 H new ATOM 0 HB3 MET A 165 -4.284 -8.318 14.006 1.00 0.00 H new ATOM 0 HG2 MET A 165 -4.608 -9.208 16.370 1.00 0.00 H new ATOM 0 HG3 MET A 165 -4.551 -10.836 15.725 1.00 0.00 H new ATOM 0 HE1 MET A 165 -1.101 -10.604 17.428 1.00 0.00 H new ATOM 0 HE2 MET A 165 -2.659 -9.933 17.969 1.00 0.00 H new ATOM 0 HE3 MET A 165 -2.600 -11.535 17.195 1.00 0.00 H new ATOM 2625 N HIS A 166 -6.902 -6.935 14.662 1.00 0.00 N ATOM 2626 CA HIS A 166 -7.317 -5.800 15.471 1.00 0.00 C ATOM 2627 C HIS A 166 -8.683 -6.043 16.111 1.00 0.00 C ATOM 2628 O HIS A 166 -9.052 -5.363 17.068 1.00 0.00 O ATOM 2629 CB HIS A 166 -7.381 -4.542 14.603 1.00 0.00 C ATOM 2630 CG HIS A 166 -7.526 -3.334 15.486 1.00 0.00 C ATOM 2631 ND1 HIS A 166 -6.700 -3.113 16.576 1.00 0.00 N ATOM 2632 CD2 HIS A 166 -8.396 -2.273 15.452 1.00 0.00 C ATOM 2633 CE1 HIS A 166 -7.087 -1.958 17.150 1.00 0.00 C ATOM 2634 NE2 HIS A 166 -8.117 -1.406 16.504 1.00 0.00 N ATOM 0 H HIS A 166 -6.806 -6.732 13.667 1.00 0.00 H new ATOM 0 HA HIS A 166 -6.583 -5.668 16.266 1.00 0.00 H new ATOM 0 HB2 HIS A 166 -6.478 -4.458 13.998 1.00 0.00 H new ATOM 0 HB3 HIS A 166 -8.222 -4.605 13.913 1.00 0.00 H new ATOM 0 HD2 HIS A 166 -9.178 -2.132 14.720 1.00 0.00 H new ATOM 0 HE1 HIS A 166 -6.621 -1.530 18.026 1.00 0.00 H new ATOM 0 HE2 HIS A 166 -8.597 -0.535 16.733 1.00 0.00 H new ATOM 2643 N THR A 167 -9.440 -7.010 15.579 1.00 0.00 N ATOM 2644 CA THR A 167 -10.772 -7.311 16.119 1.00 0.00 C ATOM 2645 C THR A 167 -10.731 -8.551 17.015 1.00 0.00 C ATOM 2646 O THR A 167 -11.748 -9.216 17.215 1.00 0.00 O ATOM 2647 CB THR A 167 -11.765 -7.534 14.963 1.00 0.00 C ATOM 2648 OG1 THR A 167 -11.451 -6.647 13.898 1.00 0.00 O ATOM 2649 CG2 THR A 167 -13.196 -7.266 15.444 1.00 0.00 C ATOM 0 H THR A 167 -9.160 -7.589 14.788 1.00 0.00 H new ATOM 0 HA THR A 167 -11.099 -6.463 16.721 1.00 0.00 H new ATOM 0 HB THR A 167 -11.691 -8.566 14.619 1.00 0.00 H new ATOM 0 HG1 THR A 167 -12.080 -6.787 13.159 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.892 -7.426 14.621 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.438 -7.945 16.261 1.00 0.00 H new ATOM 0 HG23 THR A 167 -13.276 -6.236 15.792 1.00 0.00 H new ATOM 2657 N GLY A 168 -9.556 -8.850 17.558 1.00 0.00 N ATOM 2658 CA GLY A 168 -9.400 -10.007 18.443 1.00 0.00 C ATOM 2659 C GLY A 168 -9.017 -11.261 17.662 1.00 0.00 C ATOM 2660 O GLY A 168 -8.548 -12.241 18.242 1.00 0.00 O ATOM 0 H GLY A 168 -8.702 -8.314 17.405 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -8.635 -9.795 19.190 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.331 -10.183 18.981 1.00 0.00 H new ATOM 2664 N ALA A 169 -9.216 -11.230 16.348 1.00 0.00 N ATOM 2665 CA ALA A 169 -8.878 -12.382 15.516 1.00 0.00 C ATOM 2666 C ALA A 169 -7.400 -12.723 15.671 1.00 0.00 C ATOM 2667 O ALA A 169 -6.605 -11.887 16.096 1.00 0.00 O ATOM 2668 CB ALA A 169 -9.190 -12.082 14.045 1.00 0.00 C ATOM 0 H ALA A 169 -9.603 -10.434 15.842 1.00 0.00 H new ATOM 0 HA ALA A 169 -9.477 -13.234 15.839 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -8.934 -12.948 13.435 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -10.252 -11.862 13.936 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.606 -11.222 13.717 1.00 0.00 H new ATOM 2674 N ASP A 170 -7.033 -13.958 15.335 1.00 0.00 N ATOM 2675 CA ASP A 170 -5.639 -14.390 15.451 1.00 0.00 C ATOM 2676 C ASP A 170 -4.901 -14.164 14.136 1.00 0.00 C ATOM 2677 O ASP A 170 -3.752 -14.577 13.980 1.00 0.00 O ATOM 2678 CB ASP A 170 -5.582 -15.873 15.822 1.00 0.00 C ATOM 2679 CG ASP A 170 -6.147 -16.082 17.223 1.00 0.00 C ATOM 2680 OD1 ASP A 170 -6.255 -15.106 17.948 1.00 0.00 O ATOM 2681 OD2 ASP A 170 -6.465 -17.213 17.549 1.00 0.00 O ATOM 0 H ASP A 170 -7.672 -14.671 14.984 1.00 0.00 H new ATOM 0 HA ASP A 170 -5.157 -13.802 16.232 1.00 0.00 H new ATOM 0 HB2 ASP A 170 -6.151 -16.459 15.100 1.00 0.00 H new ATOM 0 HB3 ASP A 170 -4.552 -16.228 15.780 1.00 0.00 H new ATOM 2686 N HIS A 171 -5.569 -13.507 13.194 1.00 0.00 N ATOM 2687 CA HIS A 171 -4.967 -13.233 11.896 1.00 0.00 C ATOM 2688 C HIS A 171 -5.849 -12.293 11.081 1.00 0.00 C ATOM 2689 O HIS A 171 -6.804 -11.715 11.601 1.00 0.00 O ATOM 2690 CB HIS A 171 -4.771 -14.542 11.128 1.00 0.00 C ATOM 2691 CG HIS A 171 -6.087 -15.259 11.016 1.00 0.00 C ATOM 2692 ND1 HIS A 171 -6.982 -15.684 11.964 1.00 0.00 N flip ATOM 2693 CD2 HIS A 171 -6.628 -15.623 9.793 1.00 0.00 C flip ATOM 2694 CE1 HIS A 171 -8.063 -16.304 11.345 1.00 0.00 C flip ATOM 2695 NE2 HIS A 171 -7.801 -16.241 10.037 1.00 0.00 N flip ATOM 0 H HIS A 171 -6.521 -13.157 13.304 1.00 0.00 H new ATOM 0 HA HIS A 171 -4.001 -12.755 12.059 1.00 0.00 H new ATOM 0 HB2 HIS A 171 -4.371 -14.337 10.135 1.00 0.00 H new ATOM 0 HB3 HIS A 171 -4.044 -15.172 11.641 1.00 0.00 H new ATOM 0 HD2 HIS A 171 -6.190 -15.444 8.822 1.00 0.00 H new ATOM 0 HE1 HIS A 171 -8.928 -16.742 11.820 1.00 0.00 H new ATOM 0 HE2 HIS A 171 -8.413 -16.615 9.312 1.00 0.00 H new ATOM 2704 N CYS A 172 -5.523 -12.150 9.798 1.00 0.00 N ATOM 2705 CA CYS A 172 -6.291 -11.280 8.903 1.00 0.00 C ATOM 2706 C CYS A 172 -6.573 -11.997 7.588 1.00 0.00 C ATOM 2707 O CYS A 172 -5.868 -12.937 7.222 1.00 0.00 O ATOM 2708 CB CYS A 172 -5.510 -9.994 8.626 1.00 0.00 C ATOM 2709 SG CYS A 172 -4.976 -9.264 10.195 1.00 0.00 S ATOM 0 H CYS A 172 -4.736 -12.622 9.354 1.00 0.00 H new ATOM 0 HA CYS A 172 -7.236 -11.031 9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -4.645 -10.209 7.999 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -6.133 -9.288 8.077 1.00 0.00 H new ATOM 0 HG CYS A 172 -4.255 -8.208 9.959 1.00 0.00 H new ATOM 2715 N MET A 173 -7.615 -11.552 6.879 1.00 0.00 N ATOM 2716 CA MET A 173 -7.981 -12.170 5.599 1.00 0.00 C ATOM 2717 C MET A 173 -8.257 -11.105 4.544 1.00 0.00 C ATOM 2718 O MET A 173 -9.239 -10.367 4.636 1.00 0.00 O ATOM 2719 CB MET A 173 -9.228 -13.039 5.782 1.00 0.00 C ATOM 2720 CG MET A 173 -9.639 -13.629 4.436 1.00 0.00 C ATOM 2721 SD MET A 173 -10.845 -14.953 4.701 1.00 0.00 S ATOM 2722 CE MET A 173 -12.302 -13.898 4.895 1.00 0.00 C ATOM 0 H MET A 173 -8.213 -10.777 7.164 1.00 0.00 H new ATOM 0 HA MET A 173 -7.147 -12.787 5.264 1.00 0.00 H new ATOM 0 HB2 MET A 173 -9.026 -13.838 6.495 1.00 0.00 H new ATOM 0 HB3 MET A 173 -10.042 -12.443 6.194 1.00 0.00 H new ATOM 0 HG2 MET A 173 -10.068 -12.853 3.802 1.00 0.00 H new ATOM 0 HG3 MET A 173 -8.764 -14.018 3.915 1.00 0.00 H new ATOM 0 HE1 MET A 173 -13.190 -14.521 5.001 1.00 0.00 H new ATOM 0 HE2 MET A 173 -12.186 -13.277 5.783 1.00 0.00 H new ATOM 0 HE3 MET A 173 -12.408 -13.260 4.018 1.00 0.00 H new ATOM 2732 N LEU A 174 -7.389 -11.035 3.535 1.00 0.00 N ATOM 2733 CA LEU A 174 -7.546 -10.058 2.448 1.00 0.00 C ATOM 2734 C LEU A 174 -7.801 -10.785 1.132 1.00 0.00 C ATOM 2735 O LEU A 174 -6.924 -11.459 0.612 1.00 0.00 O ATOM 2736 CB LEU A 174 -6.267 -9.193 2.323 1.00 0.00 C ATOM 2737 CG LEU A 174 -6.422 -7.898 3.129 1.00 0.00 C ATOM 2738 CD1 LEU A 174 -6.501 -8.227 4.621 1.00 0.00 C ATOM 2739 CD2 LEU A 174 -5.213 -6.994 2.868 1.00 0.00 C ATOM 0 H LEU A 174 -6.572 -11.639 3.444 1.00 0.00 H new ATOM 0 HA LEU A 174 -8.394 -9.412 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -5.404 -9.753 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -6.079 -8.958 1.275 1.00 0.00 H new ATOM 0 HG LEU A 174 -7.335 -7.387 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -6.611 -7.305 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -7.359 -8.873 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -5.589 -8.738 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.318 -6.072 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.302 -7.508 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.157 -6.758 1.805 1.00 0.00 H new ATOM 2751 N ILE A 175 -9.003 -10.636 0.596 1.00 0.00 N ATOM 2752 CA ILE A 175 -9.359 -11.286 -0.672 1.00 0.00 C ATOM 2753 C ILE A 175 -9.298 -10.273 -1.807 1.00 0.00 C ATOM 2754 O ILE A 175 -10.036 -9.294 -1.807 1.00 0.00 O ATOM 2755 CB ILE A 175 -10.768 -11.867 -0.579 1.00 0.00 C ATOM 2756 CG1 ILE A 175 -10.927 -12.641 0.739 1.00 0.00 C ATOM 2757 CG2 ILE A 175 -11.016 -12.806 -1.759 1.00 0.00 C ATOM 2758 CD1 ILE A 175 -9.792 -13.659 0.890 1.00 0.00 C ATOM 0 H ILE A 175 -9.749 -10.077 1.010 1.00 0.00 H new ATOM 0 HA ILE A 175 -8.651 -12.091 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 175 -11.493 -11.053 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 175 -10.919 -11.948 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 175 -11.890 -13.152 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 175 -12.022 -13.219 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 175 -10.914 -12.252 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 175 -10.288 -13.617 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 175 -9.913 -14.203 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 175 -9.820 -14.361 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 175 -8.834 -13.138 0.894 1.00 0.00 H new ATOM 2770 N ILE A 176 -8.406 -10.510 -2.772 1.00 0.00 N ATOM 2771 CA ILE A 176 -8.253 -9.595 -3.900 1.00 0.00 C ATOM 2772 C ILE A 176 -8.967 -10.131 -5.135 1.00 0.00 C ATOM 2773 O ILE A 176 -8.503 -11.077 -5.773 1.00 0.00 O ATOM 2774 CB ILE A 176 -6.759 -9.398 -4.216 1.00 0.00 C ATOM 2775 CG1 ILE A 176 -5.979 -9.039 -2.906 1.00 0.00 C ATOM 2776 CG2 ILE A 176 -6.603 -8.264 -5.244 1.00 0.00 C ATOM 2777 CD1 ILE A 176 -5.099 -10.217 -2.482 1.00 0.00 C ATOM 0 H ILE A 176 -7.786 -11.320 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 176 -8.699 -8.639 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 176 -6.351 -10.321 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 176 -5.363 -8.155 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 176 -6.682 -8.794 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 176 -5.546 -8.121 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 176 -7.138 -8.525 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 176 -7.014 -7.342 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 176 -4.560 -9.959 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 176 -5.724 -11.091 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 176 -4.385 -10.441 -3.274 1.00 0.00 H new ATOM 2789 N GLU A 177 -10.092 -9.512 -5.474 1.00 0.00 N ATOM 2790 CA GLU A 177 -10.862 -9.923 -6.643 1.00 0.00 C ATOM 2791 C GLU A 177 -10.349 -9.199 -7.884 1.00 0.00 C ATOM 2792 O GLU A 177 -10.158 -7.982 -7.866 1.00 0.00 O ATOM 2793 CB GLU A 177 -12.345 -9.597 -6.432 1.00 0.00 C ATOM 2794 CG GLU A 177 -13.151 -10.038 -7.657 1.00 0.00 C ATOM 2795 CD GLU A 177 -14.640 -9.833 -7.402 1.00 0.00 C ATOM 2796 OE1 GLU A 177 -14.974 -9.302 -6.355 1.00 0.00 O ATOM 2797 OE2 GLU A 177 -15.425 -10.209 -8.256 1.00 0.00 O ATOM 0 H GLU A 177 -10.490 -8.727 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 177 -10.747 -10.998 -6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -12.715 -10.103 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -12.472 -8.527 -6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -12.841 -9.466 -8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -12.952 -11.087 -7.875 1.00 0.00 H new ATOM 2804 N LEU A 178 -10.128 -9.949 -8.960 1.00 0.00 N ATOM 2805 CA LEU A 178 -9.636 -9.361 -10.208 1.00 0.00 C ATOM 2806 C LEU A 178 -10.800 -9.057 -11.146 1.00 0.00 C ATOM 2807 O LEU A 178 -11.622 -9.930 -11.427 1.00 0.00 O ATOM 2808 CB LEU A 178 -8.670 -10.329 -10.901 1.00 0.00 C ATOM 2809 CG LEU A 178 -7.556 -10.748 -9.928 1.00 0.00 C ATOM 2810 CD1 LEU A 178 -6.836 -11.976 -10.483 1.00 0.00 C ATOM 2811 CD2 LEU A 178 -6.545 -9.603 -9.761 1.00 0.00 C ATOM 0 H LEU A 178 -10.279 -10.957 -8.996 1.00 0.00 H new ATOM 0 HA LEU A 178 -9.115 -8.434 -9.969 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -9.211 -11.209 -11.248 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -8.236 -9.854 -11.781 1.00 0.00 H new ATOM 0 HG LEU A 178 -7.998 -10.982 -8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -6.045 -12.276 -9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -7.547 -12.794 -10.597 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -6.401 -11.735 -11.453 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -5.760 -9.909 -9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -6.104 -9.363 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -7.053 -8.723 -9.366 1.00 0.00 H new ATOM 2823 N GLN A 179 -10.868 -7.821 -11.627 1.00 0.00 N ATOM 2824 CA GLN A 179 -11.941 -7.427 -12.533 1.00 0.00 C ATOM 2825 C GLN A 179 -11.650 -7.915 -13.948 1.00 0.00 C ATOM 2826 O GLN A 179 -10.518 -7.832 -14.423 1.00 0.00 O ATOM 2827 CB GLN A 179 -12.092 -5.904 -12.535 1.00 0.00 C ATOM 2828 CG GLN A 179 -12.634 -5.444 -11.181 1.00 0.00 C ATOM 2829 CD GLN A 179 -12.805 -3.929 -11.175 1.00 0.00 C ATOM 2830 OE1 GLN A 179 -11.962 -3.211 -10.640 1.00 0.00 O ATOM 2831 NE2 GLN A 179 -13.854 -3.397 -11.742 1.00 0.00 N ATOM 0 H GLN A 179 -10.201 -7.081 -11.408 1.00 0.00 H new ATOM 0 HA GLN A 179 -12.870 -7.881 -12.187 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -11.129 -5.433 -12.733 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -12.768 -5.596 -13.333 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -13.590 -5.927 -10.980 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -11.952 -5.744 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -14.552 -3.994 -12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -13.975 -2.384 -11.742 1.00 0.00 H new