USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 901 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 79 CYS SG : rot -119:sc= 0.342 USER MOD Set 1.2: A 83 ASN : amide:sc= -1.18 K(o=-0.83,f=1.2) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.0731 K(o=-0.041,f=-0.67) USER MOD Set 2.2: A 62 TYR OH : rot 30:sc= 0.0322 USER MOD Set 3.1: A 20 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 18 GLN : amide:sc= -0.681 K(o=-1.3,f=0) USER MOD Set 4.2: A 106 GLN : amide:sc= -0.628 K(o=-1.3,f=0.11) USER MOD Single : A 6 SER OG : rot -28:sc= 0.317 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= 0.0764 (180deg=-0.434) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.89! C(o=-3.9!,f=-4.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.64) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.0342 (180deg=-0.276) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 158:sc= -0.271 (180deg=-1.09) USER MOD Single : A 52 THR OG1 : rot 55:sc= 0.442 USER MOD Single : A 53 MET CE :methyl -116:sc= -2.83 (180deg=-6.22!) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc=-0.00778 (180deg=-0.123) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.33 K(o=-2.3,f=-5.7!) USER MOD Single : A 73 ASN : amide:sc= -0.0783 K(o=-0.078,f=-0.76) USER MOD Single : A 77 SER OG : rot -73:sc= -0.43 USER MOD Single : A 78 ASN : amide:sc= -3.61! K(o=-3.6!,f=-2.8) USER MOD Single : A 81 LYS NZ :NH3+ -147:sc= 0.17 (180deg=0.00103) USER MOD Single : A 82 TYR OH : rot -15:sc= -1.37 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -69:sc= 0.289 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.3!) USER MOD Single : A 110 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.11) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 159:sc= 0 (180deg=-0.417) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 0.244 19.888 2.146 1.00 0.00 N ATOM 49 CA SER A 6 0.341 19.121 3.382 1.00 0.00 C ATOM 50 C SER A 6 -0.937 18.323 3.627 1.00 0.00 C ATOM 51 O SER A 6 -0.900 17.106 3.790 1.00 0.00 O ATOM 52 CB SER A 6 0.609 20.053 4.565 1.00 0.00 C ATOM 53 OG SER A 6 -0.179 21.228 4.479 1.00 0.00 O ATOM 0 HA SER A 6 1.172 18.422 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.391 19.533 5.498 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.665 20.321 4.589 1.00 0.00 H new ATOM 0 HG SER A 6 -0.373 21.424 3.539 1.00 0.00 H new ATOM 59 N GLY A 7 -2.069 19.022 3.653 1.00 0.00 N ATOM 60 CA GLY A 7 -3.342 18.365 3.880 1.00 0.00 C ATOM 61 C GLY A 7 -3.425 17.012 3.200 1.00 0.00 C ATOM 62 O GLY A 7 -3.863 16.032 3.803 1.00 0.00 O ATOM 0 H GLY A 7 -2.126 20.032 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.497 18.240 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.147 19.002 3.514 1.00 0.00 H new ATOM 66 N PHE A 8 -3.002 16.957 1.941 1.00 0.00 N ATOM 67 CA PHE A 8 -3.034 15.714 1.179 1.00 0.00 C ATOM 68 C PHE A 8 -2.180 14.642 1.850 1.00 0.00 C ATOM 69 O PHE A 8 -2.569 13.476 1.922 1.00 0.00 O ATOM 70 CB PHE A 8 -2.539 15.955 -0.249 1.00 0.00 C ATOM 71 CG PHE A 8 -2.292 14.689 -1.019 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.342 13.850 -1.354 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.009 14.340 -1.410 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.116 12.685 -2.062 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.778 13.176 -2.118 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.833 12.348 -2.445 1.00 0.00 C ATOM 0 H PHE A 8 -2.634 17.758 1.428 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.066 15.364 1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.273 16.558 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.617 16.535 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.348 14.109 -1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.180 14.985 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.943 12.038 -2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.227 12.914 -2.415 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.655 11.438 -2.999 1.00 0.00 H new ATOM 86 N LEU A 9 -1.012 15.046 2.340 1.00 0.00 N ATOM 87 CA LEU A 9 -0.102 14.121 3.007 1.00 0.00 C ATOM 88 C LEU A 9 -0.807 13.384 4.141 1.00 0.00 C ATOM 89 O LEU A 9 -0.624 12.180 4.320 1.00 0.00 O ATOM 90 CB LEU A 9 1.114 14.874 3.550 1.00 0.00 C ATOM 91 CG LEU A 9 1.887 15.720 2.538 1.00 0.00 C ATOM 92 CD1 LEU A 9 3.221 16.160 3.119 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.095 14.947 1.245 1.00 0.00 C ATOM 0 H LEU A 9 -0.674 16.007 2.288 1.00 0.00 H new ATOM 0 HA LEU A 9 0.231 13.386 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.782 15.525 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.800 14.148 3.986 1.00 0.00 H new ATOM 0 HG LEU A 9 1.300 16.611 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.757 16.761 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.049 16.753 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.815 15.282 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.647 15.565 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.660 14.038 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.127 14.683 0.819 1.00 0.00 H new ATOM 105 N ILE A 10 -1.614 14.115 4.903 1.00 0.00 N ATOM 106 CA ILE A 10 -2.349 13.530 6.017 1.00 0.00 C ATOM 107 C ILE A 10 -3.267 12.409 5.542 1.00 0.00 C ATOM 108 O ILE A 10 -3.333 11.343 6.155 1.00 0.00 O ATOM 109 CB ILE A 10 -3.189 14.589 6.755 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.280 15.532 7.547 1.00 0.00 C ATOM 111 CG2 ILE A 10 -4.196 13.917 7.678 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.642 16.610 6.699 1.00 0.00 C ATOM 0 H ILE A 10 -1.775 15.113 4.769 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.608 13.122 6.705 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.736 15.176 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.861 16.002 8.341 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.496 14.948 8.029 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.782 14.678 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.860 13.282 7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.667 13.308 8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.012 17.241 7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.034 16.149 5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.420 17.219 6.238 1.00 0.00 H new ATOM 124 N LEU A 11 -3.974 12.657 4.445 1.00 0.00 N ATOM 125 CA LEU A 11 -4.890 11.668 3.885 1.00 0.00 C ATOM 126 C LEU A 11 -4.179 10.338 3.655 1.00 0.00 C ATOM 127 O LEU A 11 -4.752 9.270 3.873 1.00 0.00 O ATOM 128 CB LEU A 11 -5.480 12.178 2.570 1.00 0.00 C ATOM 129 CG LEU A 11 -6.508 11.268 1.898 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.690 11.023 2.824 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.977 11.872 0.582 1.00 0.00 C ATOM 0 H LEU A 11 -3.931 13.534 3.926 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.697 11.509 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.947 13.145 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.662 12.348 1.870 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.033 10.310 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.412 10.373 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.342 10.547 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.165 11.974 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.708 11.210 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.434 12.843 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.125 11.996 -0.086 1.00 0.00 H new ATOM 143 N LEU A 12 -2.927 10.411 3.216 1.00 0.00 N ATOM 144 CA LEU A 12 -2.136 9.212 2.958 1.00 0.00 C ATOM 145 C LEU A 12 -1.680 8.569 4.264 1.00 0.00 C ATOM 146 O LEU A 12 -1.809 7.359 4.450 1.00 0.00 O ATOM 147 CB LEU A 12 -0.922 9.555 2.093 1.00 0.00 C ATOM 148 CG LEU A 12 -1.188 9.710 0.595 1.00 0.00 C ATOM 149 CD1 LEU A 12 -2.338 10.675 0.354 1.00 0.00 C ATOM 150 CD2 LEU A 12 0.067 10.182 -0.123 1.00 0.00 C ATOM 0 H LEU A 12 -2.438 11.287 3.031 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.765 8.499 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.488 10.484 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.172 8.776 2.230 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.468 8.737 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.513 10.773 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.239 10.295 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.088 11.650 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.141 10.287 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.378 11.145 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.865 9.453 0.021 1.00 0.00 H new ATOM 162 N ARG A 13 -1.147 9.388 5.166 1.00 0.00 N ATOM 163 CA ARG A 13 -0.673 8.900 6.454 1.00 0.00 C ATOM 164 C ARG A 13 -1.814 8.283 7.256 1.00 0.00 C ATOM 165 O ARG A 13 -1.614 7.333 8.014 1.00 0.00 O ATOM 166 CB ARG A 13 -0.034 10.039 7.251 1.00 0.00 C ATOM 167 CG ARG A 13 1.202 10.627 6.589 1.00 0.00 C ATOM 168 CD ARG A 13 1.495 12.028 7.102 1.00 0.00 C ATOM 169 NE ARG A 13 2.334 12.009 8.297 1.00 0.00 N ATOM 170 CZ ARG A 13 2.742 13.106 8.926 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.391 14.303 8.476 1.00 0.00 N ATOM 172 NH2 ARG A 13 3.504 13.008 10.008 1.00 0.00 N ATOM 0 H ARG A 13 -1.033 10.392 5.027 1.00 0.00 H new ATOM 0 HA ARG A 13 0.076 8.130 6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.771 10.830 7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.235 9.672 8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.060 9.982 6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.059 10.656 5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.990 12.604 6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.557 12.536 7.326 1.00 0.00 H new ATOM 0 HE ARG A 13 2.623 11.104 8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.806 14.384 7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.706 15.143 8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.777 12.090 10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.816 13.851 10.490 1.00 0.00 H new ATOM 186 N LYS A 14 -3.014 8.829 7.084 1.00 0.00 N ATOM 187 CA LYS A 14 -4.189 8.333 7.790 1.00 0.00 C ATOM 188 C LYS A 14 -4.797 7.138 7.062 1.00 0.00 C ATOM 189 O LYS A 14 -5.346 6.230 7.688 1.00 0.00 O ATOM 190 CB LYS A 14 -5.232 9.443 7.931 1.00 0.00 C ATOM 191 CG LYS A 14 -6.213 9.505 6.773 1.00 0.00 C ATOM 192 CD LYS A 14 -7.434 8.635 7.029 1.00 0.00 C ATOM 193 CE LYS A 14 -8.506 9.392 7.799 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.417 10.140 6.889 1.00 0.00 N ATOM 0 H LYS A 14 -3.198 9.616 6.461 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.876 8.010 8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.786 9.294 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.721 10.402 8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.527 10.537 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.718 9.179 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.842 8.290 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.139 7.748 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.087 8.691 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.033 10.088 8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.133 10.643 7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.867 10.827 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.888 9.473 6.244 1.00 0.00 H new ATOM 208 N THR A 15 -4.695 7.144 5.737 1.00 0.00 N ATOM 209 CA THR A 15 -5.233 6.061 4.924 1.00 0.00 C ATOM 210 C THR A 15 -4.376 4.806 5.040 1.00 0.00 C ATOM 211 O THR A 15 -4.893 3.689 5.066 1.00 0.00 O ATOM 212 CB THR A 15 -5.331 6.467 3.441 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.374 7.432 3.264 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.604 5.253 2.565 1.00 0.00 C ATOM 0 H THR A 15 -4.244 7.888 5.204 1.00 0.00 H new ATOM 0 HA THR A 15 -6.233 5.850 5.303 1.00 0.00 H new ATOM 0 HB THR A 15 -4.378 6.904 3.144 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.990 8.334 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.669 5.564 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.794 4.533 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.545 4.792 2.865 1.00 0.00 H new ATOM 222 N LEU A 16 -3.063 4.997 5.111 1.00 0.00 N ATOM 223 CA LEU A 16 -2.133 3.879 5.226 1.00 0.00 C ATOM 224 C LEU A 16 -2.455 3.026 6.448 1.00 0.00 C ATOM 225 O LEU A 16 -2.400 1.798 6.391 1.00 0.00 O ATOM 226 CB LEU A 16 -0.695 4.394 5.314 1.00 0.00 C ATOM 227 CG LEU A 16 0.359 3.373 5.742 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.459 2.249 4.722 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.710 4.047 5.930 1.00 0.00 C ATOM 0 H LEU A 16 -2.619 5.915 5.091 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.237 3.259 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.412 4.791 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.671 5.227 6.017 1.00 0.00 H new ATOM 0 HG LEU A 16 0.054 2.944 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.214 1.532 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.505 1.747 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.740 2.661 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.448 3.305 6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.022 4.505 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.629 4.815 6.699 1.00 0.00 H new ATOM 241 N GLU A 17 -2.794 3.685 7.551 1.00 0.00 N ATOM 242 CA GLU A 17 -3.127 2.986 8.787 1.00 0.00 C ATOM 243 C GLU A 17 -4.397 2.157 8.618 1.00 0.00 C ATOM 244 O GLU A 17 -4.438 0.985 8.991 1.00 0.00 O ATOM 245 CB GLU A 17 -3.305 3.985 9.932 1.00 0.00 C ATOM 246 CG GLU A 17 -2.055 4.795 10.234 1.00 0.00 C ATOM 247 CD GLU A 17 -2.009 5.284 11.668 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.002 4.435 12.583 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.980 6.515 11.875 1.00 0.00 O ATOM 0 H GLU A 17 -2.845 4.702 7.614 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.304 2.313 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.119 4.667 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.604 3.445 10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.174 4.185 10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.010 5.651 9.561 1.00 0.00 H new ATOM 256 N GLN A 18 -5.429 2.776 8.054 1.00 0.00 N ATOM 257 CA GLN A 18 -6.700 2.095 7.837 1.00 0.00 C ATOM 258 C GLN A 18 -6.498 0.795 7.066 1.00 0.00 C ATOM 259 O GLN A 18 -7.240 -0.170 7.251 1.00 0.00 O ATOM 260 CB GLN A 18 -7.667 3.007 7.078 1.00 0.00 C ATOM 261 CG GLN A 18 -8.035 4.271 7.838 1.00 0.00 C ATOM 262 CD GLN A 18 -9.374 4.840 7.410 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.427 4.375 7.848 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.340 5.852 6.551 1.00 0.00 N ATOM 0 H GLN A 18 -5.410 3.746 7.740 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.125 1.855 8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.219 3.284 6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.577 2.451 6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.061 4.054 8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.260 5.022 7.684 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.444 6.205 6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.210 6.276 6.228 1.00 0.00 H new ATOM 273 N LEU A 19 -5.489 0.776 6.202 1.00 0.00 N ATOM 274 CA LEU A 19 -5.188 -0.406 5.402 1.00 0.00 C ATOM 275 C LEU A 19 -4.556 -1.497 6.260 1.00 0.00 C ATOM 276 O LEU A 19 -4.937 -2.665 6.175 1.00 0.00 O ATOM 277 CB LEU A 19 -4.252 -0.041 4.250 1.00 0.00 C ATOM 278 CG LEU A 19 -4.822 0.911 3.198 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.748 1.306 2.196 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.007 0.273 2.486 1.00 0.00 C ATOM 0 H LEU A 19 -4.865 1.566 6.038 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.124 -0.787 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.352 0.409 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.946 -0.961 3.751 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.169 1.812 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.173 1.984 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.930 1.804 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.370 0.414 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.400 0.965 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.685 -0.645 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.786 0.041 3.212 1.00 0.00 H new ATOM 292 N GLN A 20 -3.592 -1.108 7.088 1.00 0.00 N ATOM 293 CA GLN A 20 -2.908 -2.054 7.962 1.00 0.00 C ATOM 294 C GLN A 20 -3.910 -2.846 8.796 1.00 0.00 C ATOM 295 O GLN A 20 -3.735 -4.043 9.018 1.00 0.00 O ATOM 296 CB GLN A 20 -1.932 -1.317 8.881 1.00 0.00 C ATOM 297 CG GLN A 20 -0.654 -0.877 8.184 1.00 0.00 C ATOM 298 CD GLN A 20 0.534 -0.820 9.125 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.927 0.253 9.582 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.112 -1.979 9.422 1.00 0.00 N ATOM 0 H GLN A 20 -3.267 -0.145 7.172 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.351 -2.752 7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.429 -0.441 9.297 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.675 -1.965 9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.434 -1.566 7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.807 0.106 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.753 -2.845 9.021 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.914 -2.002 10.052 1.00 0.00 H new ATOM 309 N GLU A 21 -4.958 -2.169 9.254 1.00 0.00 N ATOM 310 CA GLU A 21 -5.987 -2.811 10.063 1.00 0.00 C ATOM 311 C GLU A 21 -6.311 -4.202 9.528 1.00 0.00 C ATOM 312 O GLU A 21 -6.462 -5.155 10.293 1.00 0.00 O ATOM 313 CB GLU A 21 -7.255 -1.954 10.091 1.00 0.00 C ATOM 314 CG GLU A 21 -7.082 -0.636 10.825 1.00 0.00 C ATOM 315 CD GLU A 21 -6.911 -0.819 12.321 1.00 0.00 C ATOM 316 OE1 GLU A 21 -7.751 -1.511 12.933 1.00 0.00 O ATOM 317 OE2 GLU A 21 -5.938 -0.270 12.879 1.00 0.00 O ATOM 0 H GLU A 21 -5.117 -1.177 9.079 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.604 -2.912 11.078 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.569 -1.752 9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.057 -2.521 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.213 -0.113 10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.949 -0.003 10.637 1.00 0.00 H new ATOM 324 N LYS A 22 -6.419 -4.311 8.208 1.00 0.00 N ATOM 325 CA LYS A 22 -6.725 -5.585 7.568 1.00 0.00 C ATOM 326 C LYS A 22 -5.654 -6.623 7.883 1.00 0.00 C ATOM 327 O LYS A 22 -5.963 -7.783 8.162 1.00 0.00 O ATOM 328 CB LYS A 22 -6.843 -5.402 6.052 1.00 0.00 C ATOM 329 CG LYS A 22 -7.726 -4.235 5.648 1.00 0.00 C ATOM 330 CD LYS A 22 -9.140 -4.395 6.181 1.00 0.00 C ATOM 331 CE LYS A 22 -9.900 -3.078 6.151 1.00 0.00 C ATOM 332 NZ LYS A 22 -9.727 -2.308 7.414 1.00 0.00 N ATOM 0 H LYS A 22 -6.299 -3.532 7.560 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.677 -5.941 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.847 -5.255 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.241 -6.317 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.297 -3.306 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.753 -4.157 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.672 -5.137 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.104 -4.772 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.553 -2.478 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.960 -3.274 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.570 -1.722 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.600 -2.968 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.890 -1.696 7.335 1.00 0.00 H new ATOM 346 N ASP A 23 -4.395 -6.201 7.838 1.00 0.00 N ATOM 347 CA ASP A 23 -3.279 -7.095 8.123 1.00 0.00 C ATOM 348 C ASP A 23 -3.246 -7.473 9.600 1.00 0.00 C ATOM 349 O ASP A 23 -3.089 -6.615 10.469 1.00 0.00 O ATOM 350 CB ASP A 23 -1.956 -6.437 7.724 1.00 0.00 C ATOM 351 CG ASP A 23 -0.792 -7.407 7.759 1.00 0.00 C ATOM 352 OD1 ASP A 23 -0.972 -8.530 8.274 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.299 -7.044 7.272 1.00 0.00 O ATOM 0 H ASP A 23 -4.122 -5.246 7.607 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.417 -8.004 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.049 -6.022 6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.751 -5.604 8.396 1.00 0.00 H new ATOM 358 N THR A 24 -3.399 -8.764 9.879 1.00 0.00 N ATOM 359 CA THR A 24 -3.390 -9.256 11.250 1.00 0.00 C ATOM 360 C THR A 24 -2.206 -10.183 11.495 1.00 0.00 C ATOM 361 O THR A 24 -1.749 -10.339 12.626 1.00 0.00 O ATOM 362 CB THR A 24 -4.694 -10.006 11.586 1.00 0.00 C ATOM 363 OG1 THR A 24 -4.743 -11.247 10.873 1.00 0.00 O ATOM 364 CG2 THR A 24 -5.910 -9.164 11.234 1.00 0.00 C ATOM 0 H THR A 24 -3.531 -9.488 9.172 1.00 0.00 H new ATOM 0 HA THR A 24 -3.304 -8.384 11.898 1.00 0.00 H new ATOM 0 HB THR A 24 -4.708 -10.203 12.658 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.574 -11.718 11.093 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.818 -9.715 11.480 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.885 -8.234 11.801 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.900 -8.939 10.168 1.00 0.00 H new ATOM 372 N GLY A 25 -1.711 -10.798 10.424 1.00 0.00 N ATOM 373 CA GLY A 25 -0.583 -11.703 10.544 1.00 0.00 C ATOM 374 C GLY A 25 0.749 -10.986 10.438 1.00 0.00 C ATOM 375 O GLY A 25 1.802 -11.621 10.415 1.00 0.00 O ATOM 0 H GLY A 25 -2.071 -10.685 9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.638 -12.222 11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.646 -12.463 9.765 1.00 0.00 H new ATOM 379 N ASN A 26 0.701 -9.660 10.374 1.00 0.00 N ATOM 380 CA ASN A 26 1.914 -8.856 10.269 1.00 0.00 C ATOM 381 C ASN A 26 2.857 -9.429 9.215 1.00 0.00 C ATOM 382 O ASN A 26 4.067 -9.503 9.425 1.00 0.00 O ATOM 383 CB ASN A 26 2.624 -8.786 11.621 1.00 0.00 C ATOM 384 CG ASN A 26 2.850 -10.158 12.227 1.00 0.00 C ATOM 385 OD1 ASN A 26 2.059 -10.625 13.046 1.00 0.00 O ATOM 386 ND2 ASN A 26 3.935 -10.811 11.825 1.00 0.00 N ATOM 0 H ASN A 26 -0.164 -9.119 10.393 1.00 0.00 H new ATOM 0 HA ASN A 26 1.627 -7.849 9.965 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.583 -8.283 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.032 -8.181 12.308 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.140 -11.738 12.198 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.563 -10.385 11.144 1.00 0.00 H new ATOM 393 N ILE A 27 2.293 -9.833 8.081 1.00 0.00 N ATOM 394 CA ILE A 27 3.083 -10.399 6.994 1.00 0.00 C ATOM 395 C ILE A 27 3.616 -9.304 6.076 1.00 0.00 C ATOM 396 O ILE A 27 4.734 -9.395 5.570 1.00 0.00 O ATOM 397 CB ILE A 27 2.259 -11.398 6.161 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.720 -12.518 7.052 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.106 -11.971 5.034 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.777 -13.459 6.337 1.00 0.00 C ATOM 0 H ILE A 27 1.292 -9.779 7.891 1.00 0.00 H new ATOM 0 HA ILE A 27 3.921 -10.926 7.452 1.00 0.00 H new ATOM 0 HB ILE A 27 1.412 -10.871 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.558 -13.090 7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.203 -12.076 7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.511 -12.676 4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.445 -11.162 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.970 -12.486 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.435 -14.227 7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.081 -12.900 5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.296 -13.929 5.502 1.00 0.00 H new ATOM 412 N PHE A 28 2.809 -8.270 5.866 1.00 0.00 N ATOM 413 CA PHE A 28 3.199 -7.157 5.008 1.00 0.00 C ATOM 414 C PHE A 28 3.678 -5.972 5.841 1.00 0.00 C ATOM 415 O PHE A 28 4.298 -5.044 5.321 1.00 0.00 O ATOM 416 CB PHE A 28 2.026 -6.732 4.123 1.00 0.00 C ATOM 417 CG PHE A 28 1.242 -7.887 3.570 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.246 -8.488 4.323 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.501 -8.373 2.300 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.477 -9.552 3.818 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.781 -9.437 1.788 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.209 -10.026 2.549 1.00 0.00 C ATOM 0 H PHE A 28 1.880 -8.179 6.278 1.00 0.00 H new ATOM 0 HA PHE A 28 4.021 -7.490 4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.358 -6.094 4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.404 -6.131 3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.032 -8.121 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.275 -7.916 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.251 -10.012 4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.993 -9.806 0.795 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.773 -10.857 2.152 1.00 0.00 H new ATOM 432 N SER A 29 3.385 -6.009 7.138 1.00 0.00 N ATOM 433 CA SER A 29 3.781 -4.936 8.042 1.00 0.00 C ATOM 434 C SER A 29 5.272 -4.639 7.912 1.00 0.00 C ATOM 435 O SER A 29 5.709 -3.507 8.116 1.00 0.00 O ATOM 436 CB SER A 29 3.448 -5.311 9.487 1.00 0.00 C ATOM 437 OG SER A 29 3.266 -4.153 10.285 1.00 0.00 O ATOM 0 H SER A 29 2.875 -6.771 7.585 1.00 0.00 H new ATOM 0 HA SER A 29 3.225 -4.039 7.769 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.543 -5.918 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.251 -5.920 9.902 1.00 0.00 H new ATOM 0 HG SER A 29 3.053 -4.419 11.204 1.00 0.00 H new ATOM 443 N GLU A 30 6.046 -5.665 7.571 1.00 0.00 N ATOM 444 CA GLU A 30 7.488 -5.513 7.414 1.00 0.00 C ATOM 445 C GLU A 30 7.945 -6.037 6.056 1.00 0.00 C ATOM 446 O GLU A 30 7.332 -6.927 5.467 1.00 0.00 O ATOM 447 CB GLU A 30 8.225 -6.252 8.533 1.00 0.00 C ATOM 448 CG GLU A 30 7.656 -5.985 9.917 1.00 0.00 C ATOM 449 CD GLU A 30 8.615 -6.370 11.026 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.839 -7.584 11.221 1.00 0.00 O ATOM 451 OE2 GLU A 30 9.141 -5.460 11.700 1.00 0.00 O ATOM 0 H GLU A 30 5.699 -6.609 7.398 1.00 0.00 H new ATOM 0 HA GLU A 30 7.725 -4.451 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.188 -7.323 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.275 -5.961 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.409 -4.927 10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.726 -6.541 10.037 1.00 0.00 H new ATOM 458 N PRO A 31 9.051 -5.473 5.547 1.00 0.00 N ATOM 459 CA PRO A 31 9.616 -5.868 4.253 1.00 0.00 C ATOM 460 C PRO A 31 10.227 -7.264 4.288 1.00 0.00 C ATOM 461 O PRO A 31 10.938 -7.618 5.229 1.00 0.00 O ATOM 462 CB PRO A 31 10.700 -4.816 4.004 1.00 0.00 C ATOM 463 CG PRO A 31 11.085 -4.340 5.363 1.00 0.00 C ATOM 464 CD PRO A 31 9.834 -4.408 6.195 1.00 0.00 C ATOM 0 HA PRO A 31 8.856 -5.911 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.553 -5.244 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.324 -3.998 3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.871 -4.965 5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.473 -3.322 5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.056 -4.648 7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.299 -3.458 6.194 1.00 0.00 H new ATOM 472 N VAL A 32 9.946 -8.054 3.257 1.00 0.00 N ATOM 473 CA VAL A 32 10.470 -9.412 3.169 1.00 0.00 C ATOM 474 C VAL A 32 11.987 -9.426 3.315 1.00 0.00 C ATOM 475 O VAL A 32 12.711 -8.728 2.605 1.00 0.00 O ATOM 476 CB VAL A 32 10.087 -10.076 1.833 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.845 -11.383 1.650 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.585 -10.307 1.765 1.00 0.00 C ATOM 0 H VAL A 32 9.358 -7.777 2.471 1.00 0.00 H new ATOM 0 HA VAL A 32 10.024 -9.977 3.988 1.00 0.00 H new ATOM 0 HB VAL A 32 10.366 -9.405 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.562 -11.838 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.917 -11.185 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.600 -12.063 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.332 -10.777 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.280 -10.958 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.066 -9.352 1.847 1.00 0.00 H new ATOM 488 N PRO A 33 12.483 -10.242 4.258 1.00 0.00 N ATOM 489 CA PRO A 33 13.920 -10.369 4.519 1.00 0.00 C ATOM 490 C PRO A 33 14.656 -11.072 3.383 1.00 0.00 C ATOM 491 O PRO A 33 14.179 -12.076 2.850 1.00 0.00 O ATOM 492 CB PRO A 33 13.976 -11.211 5.796 1.00 0.00 C ATOM 493 CG PRO A 33 12.706 -11.989 5.792 1.00 0.00 C ATOM 494 CD PRO A 33 11.679 -11.104 5.141 1.00 0.00 C ATOM 0 HA PRO A 33 14.405 -9.397 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.844 -11.870 5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.052 -10.581 6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.822 -12.922 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.407 -12.253 6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.947 -11.684 4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.126 -10.521 5.877 1.00 0.00 H new ATOM 502 N LEU A 34 15.818 -10.543 3.019 1.00 0.00 N ATOM 503 CA LEU A 34 16.620 -11.121 1.947 1.00 0.00 C ATOM 504 C LEU A 34 17.439 -12.303 2.456 1.00 0.00 C ATOM 505 O LEU A 34 17.598 -13.305 1.761 1.00 0.00 O ATOM 506 CB LEU A 34 17.548 -10.062 1.350 1.00 0.00 C ATOM 507 CG LEU A 34 16.865 -8.891 0.644 1.00 0.00 C ATOM 508 CD1 LEU A 34 17.895 -8.008 -0.044 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.839 -9.398 -0.358 1.00 0.00 C ATOM 0 H LEU A 34 16.226 -9.714 3.451 1.00 0.00 H new ATOM 0 HA LEU A 34 15.942 -11.479 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.173 -9.664 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.214 -10.551 0.638 1.00 0.00 H new ATOM 0 HG LEU A 34 16.346 -8.292 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.390 -7.180 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.591 -7.616 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.442 -8.595 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.363 -8.551 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.335 -10.020 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.083 -9.987 0.162 1.00 0.00 H new ATOM 521 N SER A 35 17.954 -12.178 3.676 1.00 0.00 N ATOM 522 CA SER A 35 18.757 -13.235 4.278 1.00 0.00 C ATOM 523 C SER A 35 18.069 -14.589 4.133 1.00 0.00 C ATOM 524 O SER A 35 18.724 -15.632 4.129 1.00 0.00 O ATOM 525 CB SER A 35 19.009 -12.934 5.756 1.00 0.00 C ATOM 526 OG SER A 35 19.565 -14.056 6.418 1.00 0.00 O ATOM 0 H SER A 35 17.829 -11.355 4.266 1.00 0.00 H new ATOM 0 HA SER A 35 19.712 -13.274 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.684 -12.083 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.073 -12.651 6.237 1.00 0.00 H new ATOM 0 HG SER A 35 19.718 -13.837 7.361 1.00 0.00 H new ATOM 532 N GLU A 36 16.745 -14.564 4.015 1.00 0.00 N ATOM 533 CA GLU A 36 15.969 -15.790 3.871 1.00 0.00 C ATOM 534 C GLU A 36 15.539 -15.995 2.421 1.00 0.00 C ATOM 535 O GLU A 36 15.373 -17.126 1.965 1.00 0.00 O ATOM 536 CB GLU A 36 14.737 -15.749 4.779 1.00 0.00 C ATOM 537 CG GLU A 36 14.214 -17.125 5.158 1.00 0.00 C ATOM 538 CD GLU A 36 15.281 -18.002 5.784 1.00 0.00 C ATOM 539 OE1 GLU A 36 15.537 -17.850 6.997 1.00 0.00 O ATOM 540 OE2 GLU A 36 15.860 -18.840 5.061 1.00 0.00 O ATOM 0 H GLU A 36 16.188 -13.709 4.016 1.00 0.00 H new ATOM 0 HA GLU A 36 16.602 -16.627 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.984 -15.200 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.944 -15.194 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.384 -17.015 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.820 -17.617 4.269 1.00 0.00 H new ATOM 547 N VAL A 37 15.361 -14.892 1.702 1.00 0.00 N ATOM 548 CA VAL A 37 14.952 -14.948 0.303 1.00 0.00 C ATOM 549 C VAL A 37 15.844 -14.071 -0.567 1.00 0.00 C ATOM 550 O VAL A 37 15.521 -12.922 -0.871 1.00 0.00 O ATOM 551 CB VAL A 37 13.487 -14.505 0.129 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.850 -15.219 -1.054 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.698 -14.760 1.405 1.00 0.00 C ATOM 0 H VAL A 37 15.494 -13.948 2.065 1.00 0.00 H new ATOM 0 HA VAL A 37 15.050 -15.986 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 37 13.471 -13.434 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.815 -14.893 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.402 -14.980 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.876 -16.296 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.665 -14.441 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.720 -15.824 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.143 -14.198 2.226 1.00 0.00 H new ATOM 563 N PRO A 38 16.995 -14.622 -0.979 1.00 0.00 N ATOM 564 CA PRO A 38 17.959 -13.907 -1.822 1.00 0.00 C ATOM 565 C PRO A 38 17.440 -13.692 -3.240 1.00 0.00 C ATOM 566 O PRO A 38 17.945 -12.841 -3.973 1.00 0.00 O ATOM 567 CB PRO A 38 19.176 -14.834 -1.833 1.00 0.00 C ATOM 568 CG PRO A 38 18.622 -16.191 -1.568 1.00 0.00 C ATOM 569 CD PRO A 38 17.445 -15.987 -0.655 1.00 0.00 C ATOM 0 HA PRO A 38 18.171 -12.908 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.692 -14.798 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.900 -14.546 -1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 38 18.317 -16.676 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.370 -16.834 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.662 -16.723 -0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.729 -16.078 0.393 1.00 0.00 H new ATOM 577 N ASP A 39 16.430 -14.467 -3.619 1.00 0.00 N ATOM 578 CA ASP A 39 15.842 -14.359 -4.950 1.00 0.00 C ATOM 579 C ASP A 39 14.561 -13.531 -4.912 1.00 0.00 C ATOM 580 O ASP A 39 13.777 -13.539 -5.862 1.00 0.00 O ATOM 581 CB ASP A 39 15.550 -15.749 -5.516 1.00 0.00 C ATOM 582 CG ASP A 39 15.627 -15.787 -7.029 1.00 0.00 C ATOM 583 OD1 ASP A 39 16.516 -15.117 -7.595 1.00 0.00 O ATOM 584 OD2 ASP A 39 14.799 -16.487 -7.648 1.00 0.00 O ATOM 0 H ASP A 39 16.001 -15.176 -3.024 1.00 0.00 H new ATOM 0 HA ASP A 39 16.559 -13.856 -5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.261 -16.463 -5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.557 -16.066 -5.198 1.00 0.00 H new ATOM 589 N TYR A 40 14.354 -12.821 -3.809 1.00 0.00 N ATOM 590 CA TYR A 40 13.167 -11.990 -3.646 1.00 0.00 C ATOM 591 C TYR A 40 13.067 -10.955 -4.763 1.00 0.00 C ATOM 592 O TYR A 40 12.083 -10.913 -5.502 1.00 0.00 O ATOM 593 CB TYR A 40 13.191 -11.290 -2.287 1.00 0.00 C ATOM 594 CG TYR A 40 11.946 -10.482 -2.001 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.681 -11.029 -2.180 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.034 -9.170 -1.550 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.541 -10.293 -1.920 1.00 0.00 C ATOM 598 CE2 TYR A 40 10.900 -8.427 -1.286 1.00 0.00 C ATOM 599 CZ TYR A 40 9.655 -8.993 -1.473 1.00 0.00 C ATOM 600 OH TYR A 40 8.521 -8.258 -1.212 1.00 0.00 O ATOM 0 H TYR A 40 14.993 -12.804 -3.014 1.00 0.00 H new ATOM 0 HA TYR A 40 12.292 -12.638 -3.698 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.316 -12.038 -1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.059 -10.633 -2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.587 -12.047 -2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.006 -8.724 -1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.566 -10.733 -2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.987 -7.409 -0.935 1.00 0.00 H new ATOM 0 HH TYR A 40 8.775 -7.363 -0.904 1.00 0.00 H new ATOM 610 N LEU A 41 14.096 -10.123 -4.881 1.00 0.00 N ATOM 611 CA LEU A 41 14.128 -9.087 -5.908 1.00 0.00 C ATOM 612 C LEU A 41 14.124 -9.703 -7.303 1.00 0.00 C ATOM 613 O LEU A 41 13.539 -9.149 -8.235 1.00 0.00 O ATOM 614 CB LEU A 41 15.365 -8.204 -5.731 1.00 0.00 C ATOM 615 CG LEU A 41 15.543 -7.567 -4.352 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.915 -6.919 -4.237 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.446 -6.548 -4.089 1.00 0.00 C ATOM 0 H LEU A 41 14.919 -10.145 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 41 13.233 -8.474 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.249 -8.803 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.328 -7.408 -6.475 1.00 0.00 H new ATOM 0 HG LEU A 41 15.470 -8.351 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.024 -6.471 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.687 -7.675 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.018 -6.147 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.589 -6.105 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.486 -5.766 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.475 -7.041 -4.128 1.00 0.00 H new ATOM 629 N ASP A 42 14.778 -10.851 -7.438 1.00 0.00 N ATOM 630 CA ASP A 42 14.847 -11.545 -8.720 1.00 0.00 C ATOM 631 C ASP A 42 13.474 -11.601 -9.382 1.00 0.00 C ATOM 632 O ASP A 42 13.347 -11.407 -10.591 1.00 0.00 O ATOM 633 CB ASP A 42 15.395 -12.960 -8.529 1.00 0.00 C ATOM 634 CG ASP A 42 15.456 -13.737 -9.830 1.00 0.00 C ATOM 635 OD1 ASP A 42 14.583 -13.516 -10.694 1.00 0.00 O ATOM 636 OD2 ASP A 42 16.376 -14.567 -9.982 1.00 0.00 O ATOM 0 H ASP A 42 15.268 -11.321 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 42 15.521 -10.989 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.393 -12.905 -8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.767 -13.497 -7.817 1.00 0.00 H new ATOM 641 N HIS A 43 12.447 -11.872 -8.582 1.00 0.00 N ATOM 642 CA HIS A 43 11.083 -11.955 -9.090 1.00 0.00 C ATOM 643 C HIS A 43 10.342 -10.639 -8.875 1.00 0.00 C ATOM 644 O HIS A 43 9.608 -10.179 -9.750 1.00 0.00 O ATOM 645 CB HIS A 43 10.330 -13.096 -8.405 1.00 0.00 C ATOM 646 CG HIS A 43 10.919 -14.447 -8.670 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.312 -15.388 -9.475 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.069 -15.013 -8.234 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.062 -16.475 -9.521 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.134 -16.273 -8.777 1.00 0.00 N ATOM 0 H HIS A 43 12.534 -12.038 -7.579 1.00 0.00 H new ATOM 0 HA HIS A 43 11.132 -12.153 -10.161 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.318 -12.918 -7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.293 -13.089 -8.740 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.799 -14.558 -7.581 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.837 -17.375 -10.073 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.888 -16.944 -8.629 1.00 0.00 H new ATOM 659 N ILE A 44 10.537 -10.040 -7.705 1.00 0.00 N ATOM 660 CA ILE A 44 9.887 -8.777 -7.376 1.00 0.00 C ATOM 661 C ILE A 44 10.744 -7.590 -7.803 1.00 0.00 C ATOM 662 O ILE A 44 11.842 -7.384 -7.284 1.00 0.00 O ATOM 663 CB ILE A 44 9.596 -8.670 -5.867 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.653 -9.792 -5.427 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.000 -7.310 -5.539 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.552 -10.082 -6.424 1.00 0.00 C ATOM 0 H ILE A 44 11.140 -10.409 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 44 8.944 -8.756 -7.922 1.00 0.00 H new ATOM 0 HB ILE A 44 10.534 -8.775 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.233 -10.700 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.205 -9.524 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.800 -7.249 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.703 -6.527 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.069 -7.178 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.922 -10.888 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.948 -9.187 -6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.992 -10.381 -7.375 1.00 0.00 H new ATOM 678 N LYS A 45 10.235 -6.810 -8.750 1.00 0.00 N ATOM 679 CA LYS A 45 10.952 -5.641 -9.246 1.00 0.00 C ATOM 680 C LYS A 45 10.895 -4.499 -8.235 1.00 0.00 C ATOM 681 O LYS A 45 11.911 -3.877 -7.927 1.00 0.00 O ATOM 682 CB LYS A 45 10.361 -5.183 -10.581 1.00 0.00 C ATOM 683 CG LYS A 45 10.957 -5.892 -11.785 1.00 0.00 C ATOM 684 CD LYS A 45 12.383 -5.440 -12.048 1.00 0.00 C ATOM 685 CE LYS A 45 13.186 -6.517 -12.760 1.00 0.00 C ATOM 686 NZ LYS A 45 13.477 -7.674 -11.868 1.00 0.00 N ATOM 0 H LYS A 45 9.328 -6.966 -9.190 1.00 0.00 H new ATOM 0 HA LYS A 45 11.995 -5.921 -9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.284 -5.350 -10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.516 -4.109 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.940 -6.969 -11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.344 -5.695 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.373 -4.533 -12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.866 -5.189 -11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.635 -6.862 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.123 -6.092 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.292 -8.202 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.695 -7.329 -10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.647 -8.300 -11.830 1.00 0.00 H new ATOM 700 N LYS A 46 9.700 -4.230 -7.721 1.00 0.00 N ATOM 701 CA LYS A 46 9.510 -3.165 -6.741 1.00 0.00 C ATOM 702 C LYS A 46 8.843 -3.701 -5.478 1.00 0.00 C ATOM 703 O LYS A 46 7.622 -3.666 -5.329 1.00 0.00 O ATOM 704 CB LYS A 46 8.663 -2.040 -7.340 1.00 0.00 C ATOM 705 CG LYS A 46 9.415 -1.180 -8.341 1.00 0.00 C ATOM 706 CD LYS A 46 8.496 -0.171 -9.010 1.00 0.00 C ATOM 707 CE LYS A 46 8.018 0.886 -8.025 1.00 0.00 C ATOM 708 NZ LYS A 46 7.510 2.101 -8.720 1.00 0.00 N ATOM 0 H LYS A 46 8.848 -4.734 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 46 10.490 -2.771 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.791 -2.474 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.294 -1.406 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.226 -0.656 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.871 -1.817 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.021 0.310 -9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.636 -0.687 -9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.229 0.469 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.838 1.163 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.194 2.797 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.270 2.514 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.711 1.842 -9.333 1.00 0.00 H new ATOM 722 N PRO A 47 9.663 -4.207 -4.545 1.00 0.00 N ATOM 723 CA PRO A 47 9.175 -4.757 -3.277 1.00 0.00 C ATOM 724 C PRO A 47 8.627 -3.677 -2.350 1.00 0.00 C ATOM 725 O PRO A 47 9.383 -3.010 -1.645 1.00 0.00 O ATOM 726 CB PRO A 47 10.422 -5.404 -2.667 1.00 0.00 C ATOM 727 CG PRO A 47 11.566 -4.661 -3.267 1.00 0.00 C ATOM 728 CD PRO A 47 11.130 -4.282 -4.656 1.00 0.00 C ATOM 0 HA PRO A 47 8.348 -5.451 -3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.421 -5.319 -1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.473 -6.467 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.808 -3.776 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.462 -5.280 -3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.559 -3.329 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.440 -5.025 -5.391 1.00 0.00 H new ATOM 736 N MET A 48 7.308 -3.513 -2.356 1.00 0.00 N ATOM 737 CA MET A 48 6.660 -2.514 -1.513 1.00 0.00 C ATOM 738 C MET A 48 6.028 -3.166 -0.287 1.00 0.00 C ATOM 739 O MET A 48 5.604 -4.320 -0.335 1.00 0.00 O ATOM 740 CB MET A 48 5.594 -1.759 -2.310 1.00 0.00 C ATOM 741 CG MET A 48 5.171 -0.448 -1.666 1.00 0.00 C ATOM 742 SD MET A 48 6.529 0.730 -1.533 1.00 0.00 S ATOM 743 CE MET A 48 7.209 0.653 -3.188 1.00 0.00 C ATOM 0 H MET A 48 6.668 -4.058 -2.934 1.00 0.00 H new ATOM 0 HA MET A 48 7.420 -1.809 -1.177 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.975 -1.557 -3.311 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.718 -2.397 -2.426 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.366 -0.004 -2.251 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.770 -0.648 -0.672 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.773 1.563 -3.392 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.870 -0.210 -3.270 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.398 0.558 -3.910 1.00 0.00 H new ATOM 753 N ASP A 49 5.970 -2.419 0.809 1.00 0.00 N ATOM 754 CA ASP A 49 5.389 -2.925 2.049 1.00 0.00 C ATOM 755 C ASP A 49 4.625 -1.824 2.779 1.00 0.00 C ATOM 756 O ASP A 49 4.517 -0.700 2.289 1.00 0.00 O ATOM 757 CB ASP A 49 6.483 -3.491 2.955 1.00 0.00 C ATOM 758 CG ASP A 49 7.798 -2.752 2.808 1.00 0.00 C ATOM 759 OD1 ASP A 49 8.339 -2.723 1.683 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.288 -2.203 3.817 1.00 0.00 O ATOM 0 H ASP A 49 6.317 -1.462 0.866 1.00 0.00 H new ATOM 0 HA ASP A 49 4.689 -3.722 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.154 -3.438 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.634 -4.545 2.722 1.00 0.00 H new ATOM 765 N PHE A 50 4.096 -2.157 3.951 1.00 0.00 N ATOM 766 CA PHE A 50 3.340 -1.198 4.749 1.00 0.00 C ATOM 767 C PHE A 50 4.270 -0.179 5.400 1.00 0.00 C ATOM 768 O PHE A 50 3.889 0.969 5.629 1.00 0.00 O ATOM 769 CB PHE A 50 2.527 -1.923 5.823 1.00 0.00 C ATOM 770 CG PHE A 50 1.194 -2.415 5.336 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.343 -1.573 4.640 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.793 -3.719 5.577 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.885 -2.023 4.190 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.434 -4.174 5.130 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.274 -3.325 4.437 1.00 0.00 C ATOM 0 H PHE A 50 4.177 -3.084 4.370 1.00 0.00 H new ATOM 0 HA PHE A 50 2.658 -0.668 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.104 -2.770 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.371 -1.249 6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.642 -0.553 4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.445 -4.387 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.539 -1.357 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.735 -5.193 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.233 -3.678 4.089 1.00 0.00 H new ATOM 785 N PHE A 51 5.493 -0.607 5.696 1.00 0.00 N ATOM 786 CA PHE A 51 6.478 0.267 6.322 1.00 0.00 C ATOM 787 C PHE A 51 7.238 1.072 5.271 1.00 0.00 C ATOM 788 O PHE A 51 7.403 2.285 5.400 1.00 0.00 O ATOM 789 CB PHE A 51 7.460 -0.555 7.161 1.00 0.00 C ATOM 790 CG PHE A 51 8.703 0.199 7.538 1.00 0.00 C ATOM 791 CD1 PHE A 51 8.711 1.042 8.637 1.00 0.00 C ATOM 792 CD2 PHE A 51 9.864 0.064 6.793 1.00 0.00 C ATOM 793 CE1 PHE A 51 9.853 1.737 8.987 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.009 0.757 7.138 1.00 0.00 C ATOM 795 CZ PHE A 51 11.004 1.594 8.237 1.00 0.00 C ATOM 0 H PHE A 51 5.825 -1.554 5.512 1.00 0.00 H new ATOM 0 HA PHE A 51 5.948 0.963 6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.958 -0.890 8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.742 -1.449 6.604 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.814 1.158 9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.874 -0.590 5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.846 2.391 9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.907 0.644 6.549 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.898 2.135 8.509 1.00 0.00 H new ATOM 805 N THR A 52 7.702 0.385 4.230 1.00 0.00 N ATOM 806 CA THR A 52 8.446 1.033 3.159 1.00 0.00 C ATOM 807 C THR A 52 7.662 2.204 2.576 1.00 0.00 C ATOM 808 O THR A 52 8.163 3.325 2.506 1.00 0.00 O ATOM 809 CB THR A 52 8.782 0.041 2.029 1.00 0.00 C ATOM 810 OG1 THR A 52 9.865 -0.805 2.427 1.00 0.00 O ATOM 811 CG2 THR A 52 9.152 0.781 0.752 1.00 0.00 C ATOM 0 H THR A 52 7.575 -0.620 4.108 1.00 0.00 H new ATOM 0 HA THR A 52 9.374 1.402 3.596 1.00 0.00 H new ATOM 0 HB THR A 52 7.899 -0.568 1.834 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.646 -1.239 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.385 0.060 -0.032 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.314 1.402 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.022 1.411 0.936 1.00 0.00 H new ATOM 819 N MET A 53 6.430 1.935 2.157 1.00 0.00 N ATOM 820 CA MET A 53 5.575 2.968 1.581 1.00 0.00 C ATOM 821 C MET A 53 5.437 4.151 2.534 1.00 0.00 C ATOM 822 O MET A 53 5.411 5.306 2.106 1.00 0.00 O ATOM 823 CB MET A 53 4.195 2.396 1.257 1.00 0.00 C ATOM 824 CG MET A 53 3.353 2.103 2.487 1.00 0.00 C ATOM 825 SD MET A 53 1.754 1.378 2.078 1.00 0.00 S ATOM 826 CE MET A 53 0.952 2.761 1.271 1.00 0.00 C ATOM 0 H MET A 53 6.001 1.011 2.205 1.00 0.00 H new ATOM 0 HA MET A 53 6.040 3.318 0.659 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.660 3.100 0.620 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.317 1.477 0.684 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.898 1.424 3.142 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.197 3.027 3.044 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.086 3.071 1.856 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.653 3.592 1.192 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.629 2.463 0.274 1.00 0.00 H new ATOM 836 N LYS A 54 5.347 3.859 3.826 1.00 0.00 N ATOM 837 CA LYS A 54 5.212 4.898 4.840 1.00 0.00 C ATOM 838 C LYS A 54 6.386 5.869 4.783 1.00 0.00 C ATOM 839 O LYS A 54 6.200 7.085 4.821 1.00 0.00 O ATOM 840 CB LYS A 54 5.122 4.272 6.233 1.00 0.00 C ATOM 841 CG LYS A 54 4.958 5.290 7.348 1.00 0.00 C ATOM 842 CD LYS A 54 4.011 6.408 6.948 1.00 0.00 C ATOM 843 CE LYS A 54 3.892 7.457 8.042 1.00 0.00 C ATOM 844 NZ LYS A 54 3.308 6.894 9.290 1.00 0.00 N ATOM 0 H LYS A 54 5.365 2.909 4.197 1.00 0.00 H new ATOM 0 HA LYS A 54 4.295 5.451 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.280 3.580 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.022 3.686 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.580 4.794 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.931 5.710 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.367 6.877 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.027 5.993 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.877 7.871 8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.270 8.280 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.086 7.667 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.437 6.373 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.992 6.247 9.732 1.00 0.00 H new ATOM 858 N GLN A 55 7.596 5.325 4.691 1.00 0.00 N ATOM 859 CA GLN A 55 8.800 6.145 4.628 1.00 0.00 C ATOM 860 C GLN A 55 8.727 7.130 3.466 1.00 0.00 C ATOM 861 O GLN A 55 8.814 8.341 3.660 1.00 0.00 O ATOM 862 CB GLN A 55 10.038 5.259 4.486 1.00 0.00 C ATOM 863 CG GLN A 55 10.164 4.209 5.577 1.00 0.00 C ATOM 864 CD GLN A 55 10.809 4.750 6.837 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.016 4.992 6.876 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.007 4.945 7.877 1.00 0.00 N ATOM 0 H GLN A 55 7.768 4.320 4.658 1.00 0.00 H new ATOM 0 HA GLN A 55 8.873 6.712 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.009 4.762 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.928 5.889 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.174 3.821 5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.753 3.371 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.013 4.731 7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.385 5.309 8.752 1.00 0.00 H new ATOM 875 N ASN A 56 8.569 6.599 2.257 1.00 0.00 N ATOM 876 CA ASN A 56 8.486 7.432 1.063 1.00 0.00 C ATOM 877 C ASN A 56 7.426 8.516 1.227 1.00 0.00 C ATOM 878 O ASN A 56 7.619 9.658 0.806 1.00 0.00 O ATOM 879 CB ASN A 56 8.166 6.573 -0.163 1.00 0.00 C ATOM 880 CG ASN A 56 9.161 5.444 -0.353 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.323 5.554 0.037 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.707 4.352 -0.956 1.00 0.00 N ATOM 0 H ASN A 56 8.496 5.597 2.079 1.00 0.00 H new ATOM 0 HA ASN A 56 9.453 7.913 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.164 6.157 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.160 7.202 -1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.330 3.560 -1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.735 4.305 -1.263 1.00 0.00 H new ATOM 889 N LEU A 57 6.308 8.154 1.844 1.00 0.00 N ATOM 890 CA LEU A 57 5.216 9.096 2.068 1.00 0.00 C ATOM 891 C LEU A 57 5.688 10.292 2.887 1.00 0.00 C ATOM 892 O LEU A 57 5.326 11.433 2.601 1.00 0.00 O ATOM 893 CB LEU A 57 4.054 8.401 2.781 1.00 0.00 C ATOM 894 CG LEU A 57 3.166 9.296 3.645 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.741 8.766 3.674 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.727 9.403 5.055 1.00 0.00 C ATOM 0 H LEU A 57 6.133 7.214 2.199 1.00 0.00 H new ATOM 0 HA LEU A 57 4.875 9.456 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.429 7.919 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.461 7.610 3.411 1.00 0.00 H new ATOM 0 HG LEU A 57 3.151 10.293 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.124 9.416 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.340 8.744 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.736 7.758 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.082 10.044 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.773 8.411 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.729 9.831 5.016 1.00 0.00 H new ATOM 908 N GLU A 58 6.499 10.024 3.905 1.00 0.00 N ATOM 909 CA GLU A 58 7.021 11.079 4.764 1.00 0.00 C ATOM 910 C GLU A 58 8.140 11.847 4.064 1.00 0.00 C ATOM 911 O GLU A 58 8.586 12.888 4.544 1.00 0.00 O ATOM 912 CB GLU A 58 7.537 10.489 6.078 1.00 0.00 C ATOM 913 CG GLU A 58 6.457 9.816 6.909 1.00 0.00 C ATOM 914 CD GLU A 58 6.896 9.558 8.336 1.00 0.00 C ATOM 915 OE1 GLU A 58 8.084 9.235 8.544 1.00 0.00 O ATOM 916 OE2 GLU A 58 6.050 9.678 9.247 1.00 0.00 O ATOM 0 H GLU A 58 6.809 9.085 4.155 1.00 0.00 H new ATOM 0 HA GLU A 58 6.208 11.772 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.320 9.763 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.995 11.283 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.565 10.442 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.180 8.871 6.442 1.00 0.00 H new ATOM 923 N ALA A 59 8.588 11.323 2.928 1.00 0.00 N ATOM 924 CA ALA A 59 9.653 11.957 2.162 1.00 0.00 C ATOM 925 C ALA A 59 9.085 12.786 1.016 1.00 0.00 C ATOM 926 O ALA A 59 9.788 13.100 0.055 1.00 0.00 O ATOM 927 CB ALA A 59 10.618 10.908 1.629 1.00 0.00 C ATOM 0 H ALA A 59 8.230 10.461 2.518 1.00 0.00 H new ATOM 0 HA ALA A 59 10.195 12.628 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.408 11.397 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.058 10.361 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.080 10.214 0.983 1.00 0.00 H new ATOM 933 N TYR A 60 7.808 13.138 1.123 1.00 0.00 N ATOM 934 CA TYR A 60 7.144 13.929 0.092 1.00 0.00 C ATOM 935 C TYR A 60 7.343 13.305 -1.285 1.00 0.00 C ATOM 936 O TYR A 60 7.585 14.007 -2.267 1.00 0.00 O ATOM 937 CB TYR A 60 7.679 15.363 0.097 1.00 0.00 C ATOM 938 CG TYR A 60 7.236 16.170 1.296 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.920 16.088 2.504 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.134 17.013 1.223 1.00 0.00 C ATOM 941 CE1 TYR A 60 7.518 16.823 3.602 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.727 17.752 2.317 1.00 0.00 C ATOM 943 CZ TYR A 60 6.421 17.655 3.504 1.00 0.00 C ATOM 944 OH TYR A 60 6.018 18.389 4.595 1.00 0.00 O ATOM 0 H TYR A 60 7.212 12.888 1.912 1.00 0.00 H new ATOM 0 HA TYR A 60 6.077 13.945 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.768 15.336 0.070 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.351 15.868 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.779 15.439 2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.586 17.092 0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.060 16.747 4.533 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.869 18.403 2.243 1.00 0.00 H new ATOM 0 HH TYR A 60 5.232 18.923 4.357 1.00 0.00 H new ATOM 954 N ARG A 61 7.237 11.981 -1.349 1.00 0.00 N ATOM 955 CA ARG A 61 7.404 11.262 -2.606 1.00 0.00 C ATOM 956 C ARG A 61 6.060 11.052 -3.296 1.00 0.00 C ATOM 957 O ARG A 61 5.995 10.886 -4.514 1.00 0.00 O ATOM 958 CB ARG A 61 8.078 9.911 -2.358 1.00 0.00 C ATOM 959 CG ARG A 61 9.569 10.015 -2.081 1.00 0.00 C ATOM 960 CD ARG A 61 10.301 8.746 -2.488 1.00 0.00 C ATOM 961 NE ARG A 61 11.746 8.946 -2.558 1.00 0.00 N ATOM 962 CZ ARG A 61 12.592 8.041 -3.037 1.00 0.00 C ATOM 963 NH1 ARG A 61 12.138 6.879 -3.488 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.893 8.296 -3.069 1.00 0.00 N ATOM 0 H ARG A 61 7.036 11.386 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 61 8.037 11.863 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.593 9.423 -1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.922 9.272 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.983 10.865 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.731 10.205 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.079 7.954 -1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.934 8.411 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 61 12.127 9.830 -2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.138 6.679 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.789 6.185 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.246 9.189 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.540 7.599 -3.437 1.00 0.00 H new ATOM 978 N TYR A 62 4.989 11.062 -2.510 1.00 0.00 N ATOM 979 CA TYR A 62 3.647 10.870 -3.044 1.00 0.00 C ATOM 980 C TYR A 62 2.865 12.180 -3.039 1.00 0.00 C ATOM 981 O TYR A 62 2.628 12.772 -1.984 1.00 0.00 O ATOM 982 CB TYR A 62 2.897 9.814 -2.230 1.00 0.00 C ATOM 983 CG TYR A 62 3.617 8.487 -2.151 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.068 7.849 -3.299 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.848 7.872 -0.926 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.726 6.636 -3.230 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.505 6.660 -0.848 1.00 0.00 C ATOM 988 CZ TYR A 62 4.943 6.046 -2.002 1.00 0.00 C ATOM 989 OH TYR A 62 5.599 4.839 -1.931 1.00 0.00 O ATOM 0 H TYR A 62 5.025 11.201 -1.500 1.00 0.00 H new ATOM 0 HA TYR A 62 3.740 10.527 -4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.737 10.192 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.913 9.658 -2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.902 8.309 -4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.508 8.350 -0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.069 6.152 -4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.675 6.195 0.112 1.00 0.00 H new ATOM 0 HH TYR A 62 6.231 4.766 -2.676 1.00 0.00 H new ATOM 999 N LEU A 63 2.468 12.630 -4.225 1.00 0.00 N ATOM 1000 CA LEU A 63 1.713 13.870 -4.360 1.00 0.00 C ATOM 1001 C LEU A 63 0.326 13.604 -4.935 1.00 0.00 C ATOM 1002 O LEU A 63 -0.598 14.393 -4.744 1.00 0.00 O ATOM 1003 CB LEU A 63 2.468 14.855 -5.254 1.00 0.00 C ATOM 1004 CG LEU A 63 3.961 15.017 -4.963 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.697 15.496 -6.205 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.178 15.981 -3.806 1.00 0.00 C ATOM 0 H LEU A 63 2.657 12.154 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 63 1.597 14.305 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.353 14.536 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.993 15.832 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 63 4.364 14.045 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.758 15.606 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.570 14.768 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.292 16.458 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.246 16.084 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.760 16.955 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.684 15.596 -2.914 1.00 0.00 H new ATOM 1018 N ASN A 64 0.188 12.485 -5.639 1.00 0.00 N ATOM 1019 CA ASN A 64 -1.087 12.114 -6.242 1.00 0.00 C ATOM 1020 C ASN A 64 -1.586 10.784 -5.683 1.00 0.00 C ATOM 1021 O ASN A 64 -0.799 9.874 -5.421 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.949 12.020 -7.763 1.00 0.00 C ATOM 1023 CG ASN A 64 0.222 11.154 -8.184 1.00 0.00 C ATOM 1024 OD1 ASN A 64 0.064 9.961 -8.448 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.407 11.750 -8.250 1.00 0.00 N ATOM 0 H ASN A 64 0.943 11.820 -5.806 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.814 12.888 -5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.868 11.613 -8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.825 13.021 -8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.231 11.217 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.493 12.741 -8.023 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.898 10.679 -5.502 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.503 9.462 -4.975 1.00 0.00 C ATOM 1034 C PHE A 65 -3.110 8.251 -5.815 1.00 0.00 C ATOM 1035 O PHE A 65 -2.814 7.182 -5.283 1.00 0.00 O ATOM 1036 CB PHE A 65 -5.026 9.599 -4.937 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.708 8.505 -4.165 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.577 8.425 -2.788 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.479 7.556 -4.817 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.202 7.419 -2.077 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -7.106 6.547 -4.111 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.968 6.480 -2.738 1.00 0.00 C ATOM 0 H PHE A 65 -3.563 11.423 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.134 9.313 -3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.285 10.561 -4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.408 9.605 -5.958 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.980 9.157 -2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.591 7.606 -5.890 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.091 7.367 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.703 5.812 -4.631 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.459 5.694 -2.183 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.112 8.427 -7.132 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.755 7.350 -8.048 1.00 0.00 C ATOM 1054 C ASP A 66 -1.410 6.738 -7.670 1.00 0.00 C ATOM 1055 O ASP A 66 -1.169 5.553 -7.904 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.707 7.869 -9.486 1.00 0.00 C ATOM 1057 CG ASP A 66 -2.585 6.750 -10.501 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -1.637 5.945 -10.386 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -3.436 6.680 -11.412 1.00 0.00 O ATOM 0 H ASP A 66 -3.357 9.305 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.519 6.576 -7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.609 8.445 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.862 8.549 -9.596 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.539 7.552 -7.085 1.00 0.00 N ATOM 1065 CA ASP A 67 0.782 7.090 -6.674 1.00 0.00 C ATOM 1066 C ASP A 67 0.696 6.271 -5.390 1.00 0.00 C ATOM 1067 O ASP A 67 1.032 5.087 -5.373 1.00 0.00 O ATOM 1068 CB ASP A 67 1.722 8.280 -6.473 1.00 0.00 C ATOM 1069 CG ASP A 67 2.409 8.698 -7.758 1.00 0.00 C ATOM 1070 OD1 ASP A 67 1.900 8.350 -8.843 1.00 0.00 O ATOM 1071 OD2 ASP A 67 3.457 9.373 -7.679 1.00 0.00 O ATOM 0 H ASP A 67 -0.723 8.535 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 67 1.179 6.453 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.157 9.123 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.475 8.023 -5.729 1.00 0.00 H new ATOM 1076 N PHE A 68 0.247 6.910 -4.315 1.00 0.00 N ATOM 1077 CA PHE A 68 0.119 6.242 -3.025 1.00 0.00 C ATOM 1078 C PHE A 68 -0.655 4.934 -3.164 1.00 0.00 C ATOM 1079 O PHE A 68 -0.367 3.957 -2.475 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.583 7.158 -2.020 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.872 6.493 -0.704 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -1.975 5.668 -0.557 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -0.040 6.695 0.386 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -2.243 5.055 0.652 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -0.303 6.084 1.597 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.407 5.264 1.731 1.00 0.00 C ATOM 0 H PHE A 68 -0.035 7.890 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 68 1.121 6.014 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.038 8.037 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.519 7.510 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.633 5.502 -1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.823 7.337 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.106 4.413 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.354 6.247 2.438 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.616 4.788 2.678 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.635 4.926 -4.061 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.451 3.739 -4.290 1.00 0.00 C ATOM 1098 C GLU A 69 -1.688 2.706 -5.114 1.00 0.00 C ATOM 1099 O GLU A 69 -2.018 1.521 -5.100 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.752 4.117 -5.001 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.522 2.921 -5.535 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.970 3.250 -5.845 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.631 3.881 -4.994 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.442 2.877 -6.940 1.00 0.00 O ATOM 0 H GLU A 69 -1.884 5.727 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.690 3.300 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.388 4.668 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.523 4.790 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.035 2.554 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.485 2.114 -4.803 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.669 3.167 -5.833 1.00 0.00 N ATOM 1112 CA GLU A 70 0.139 2.284 -6.665 1.00 0.00 C ATOM 1113 C GLU A 70 1.064 1.423 -5.807 1.00 0.00 C ATOM 1114 O GLU A 70 1.138 0.207 -5.984 1.00 0.00 O ATOM 1115 CB GLU A 70 0.964 3.098 -7.663 1.00 0.00 C ATOM 1116 CG GLU A 70 1.732 2.245 -8.659 1.00 0.00 C ATOM 1117 CD GLU A 70 1.925 2.938 -9.993 1.00 0.00 C ATOM 1118 OE1 GLU A 70 0.989 2.909 -10.819 1.00 0.00 O ATOM 1119 OE2 GLU A 70 3.014 3.511 -10.211 1.00 0.00 O ATOM 0 H GLU A 70 -0.384 4.146 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.536 1.627 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.300 3.769 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.668 3.723 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.706 1.993 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.200 1.307 -8.815 1.00 0.00 H new ATOM 1126 N ASP A 71 1.765 2.064 -4.878 1.00 0.00 N ATOM 1127 CA ASP A 71 2.683 1.359 -3.993 1.00 0.00 C ATOM 1128 C ASP A 71 1.967 0.236 -3.248 1.00 0.00 C ATOM 1129 O ASP A 71 2.481 -0.877 -3.141 1.00 0.00 O ATOM 1130 CB ASP A 71 3.310 2.332 -2.992 1.00 0.00 C ATOM 1131 CG ASP A 71 2.477 2.486 -1.735 1.00 0.00 C ATOM 1132 OD1 ASP A 71 2.277 1.475 -1.029 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.027 3.616 -1.457 1.00 0.00 O ATOM 0 H ASP A 71 1.715 3.070 -4.719 1.00 0.00 H new ATOM 0 HA ASP A 71 3.471 0.920 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.306 1.981 -2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.432 3.306 -3.465 1.00 0.00 H new ATOM 1138 N PHE A 72 0.779 0.537 -2.734 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.007 -0.445 -1.999 1.00 0.00 C ATOM 1140 C PHE A 72 -0.274 -1.679 -2.855 1.00 0.00 C ATOM 1141 O PHE A 72 -0.048 -2.808 -2.422 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.331 0.170 -1.541 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.381 -0.851 -1.204 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.225 -1.346 -2.184 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.523 -1.316 0.094 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.192 -2.285 -1.877 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.487 -2.255 0.408 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.322 -2.741 -0.579 1.00 0.00 C ATOM 0 H PHE A 72 0.340 1.454 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 72 0.565 -0.750 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.149 0.795 -0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.710 0.824 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.127 -0.994 -3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.872 -0.940 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.845 -2.662 -2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.587 -2.608 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.075 -3.476 -0.337 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.759 -1.455 -4.072 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.059 -2.547 -4.989 1.00 0.00 C ATOM 1160 C ASN A 73 0.124 -3.504 -5.100 1.00 0.00 C ATOM 1161 O ASN A 73 -0.038 -4.723 -5.015 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.416 -1.998 -6.372 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.866 -1.561 -6.462 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.761 -2.226 -5.941 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -3.103 -0.436 -7.128 1.00 0.00 N ATOM 0 H ASN A 73 -0.953 -0.526 -4.446 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.913 -3.096 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.769 -1.152 -6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.222 -2.762 -7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.058 -0.091 -7.223 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.330 0.083 -7.544 1.00 0.00 H new ATOM 1172 N LEU A 74 1.314 -2.946 -5.291 1.00 0.00 N ATOM 1173 CA LEU A 74 2.526 -3.749 -5.413 1.00 0.00 C ATOM 1174 C LEU A 74 2.624 -4.764 -4.278 1.00 0.00 C ATOM 1175 O LEU A 74 2.956 -5.928 -4.501 1.00 0.00 O ATOM 1176 CB LEU A 74 3.761 -2.847 -5.412 1.00 0.00 C ATOM 1177 CG LEU A 74 4.089 -2.157 -6.738 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.430 -1.446 -6.651 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.090 -3.165 -7.878 1.00 0.00 C ATOM 0 H LEU A 74 1.466 -1.940 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 74 2.479 -4.291 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.625 -2.080 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.622 -3.444 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 74 3.318 -1.413 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.647 -0.961 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.393 -0.696 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.212 -2.171 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.325 -2.657 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.839 -3.933 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.107 -3.629 -7.955 1.00 0.00 H new ATOM 1191 N ILE A 75 2.329 -4.315 -3.063 1.00 0.00 N ATOM 1192 CA ILE A 75 2.380 -5.186 -1.895 1.00 0.00 C ATOM 1193 C ILE A 75 1.542 -6.441 -2.108 1.00 0.00 C ATOM 1194 O ILE A 75 1.983 -7.552 -1.816 1.00 0.00 O ATOM 1195 CB ILE A 75 1.885 -4.460 -0.629 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.689 -3.177 -0.403 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.987 -5.375 0.581 1.00 0.00 C ATOM 1198 CD1 ILE A 75 1.953 -2.140 0.416 1.00 0.00 C ATOM 0 H ILE A 75 2.052 -3.354 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 75 3.424 -5.468 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 75 0.838 -4.191 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.624 -3.427 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.950 -2.746 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.634 -4.847 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.375 -6.262 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.026 -5.672 0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.582 -1.258 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.031 -1.861 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.715 -2.553 1.396 1.00 0.00 H new ATOM 1210 N VAL A 76 0.328 -6.256 -2.618 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.571 -7.374 -2.874 1.00 0.00 C ATOM 1212 C VAL A 76 -0.092 -8.208 -4.056 1.00 0.00 C ATOM 1213 O VAL A 76 0.117 -9.416 -3.934 1.00 0.00 O ATOM 1214 CB VAL A 76 -2.006 -6.888 -3.152 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.939 -8.070 -3.368 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.502 -6.010 -2.012 1.00 0.00 C ATOM 0 H VAL A 76 -0.055 -5.342 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.571 -7.991 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.997 -6.291 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.948 -7.706 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.593 -8.655 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.945 -8.696 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.517 -5.676 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.496 -6.581 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.849 -5.143 -1.909 1.00 0.00 H new ATOM 1226 N SER A 77 0.083 -7.556 -5.201 1.00 0.00 N ATOM 1227 CA SER A 77 0.536 -8.237 -6.408 1.00 0.00 C ATOM 1228 C SER A 77 1.858 -8.958 -6.161 1.00 0.00 C ATOM 1229 O SER A 77 1.907 -10.186 -6.112 1.00 0.00 O ATOM 1230 CB SER A 77 0.694 -7.238 -7.555 1.00 0.00 C ATOM 1231 OG SER A 77 1.478 -6.126 -7.158 1.00 0.00 O ATOM 0 H SER A 77 -0.082 -6.556 -5.318 1.00 0.00 H new ATOM 0 HA SER A 77 -0.216 -8.977 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.161 -7.730 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.288 -6.896 -7.882 1.00 0.00 H new ATOM 0 HG SER A 77 0.955 -5.554 -6.558 1.00 0.00 H new ATOM 1237 N ASN A 78 2.927 -8.184 -6.006 1.00 0.00 N ATOM 1238 CA ASN A 78 4.249 -8.747 -5.764 1.00 0.00 C ATOM 1239 C ASN A 78 4.162 -9.974 -4.861 1.00 0.00 C ATOM 1240 O ASN A 78 4.997 -10.876 -4.939 1.00 0.00 O ATOM 1241 CB ASN A 78 5.166 -7.698 -5.131 1.00 0.00 C ATOM 1242 CG ASN A 78 5.499 -6.569 -6.087 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.568 -6.768 -7.300 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.707 -5.376 -5.544 1.00 0.00 N ATOM 0 H ASN A 78 2.903 -7.165 -6.044 1.00 0.00 H new ATOM 0 HA ASN A 78 4.666 -9.053 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.686 -7.288 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.089 -8.177 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.934 -4.578 -6.137 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.639 -5.257 -4.533 1.00 0.00 H new ATOM 1251 N CYS A 79 3.147 -10.000 -4.005 1.00 0.00 N ATOM 1252 CA CYS A 79 2.950 -11.115 -3.085 1.00 0.00 C ATOM 1253 C CYS A 79 2.203 -12.257 -3.769 1.00 0.00 C ATOM 1254 O CYS A 79 2.551 -13.427 -3.603 1.00 0.00 O ATOM 1255 CB CYS A 79 2.179 -10.653 -1.848 1.00 0.00 C ATOM 1256 SG CYS A 79 2.366 -11.739 -0.414 1.00 0.00 S ATOM 0 H CYS A 79 2.447 -9.262 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 79 3.930 -11.478 -2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.513 -9.651 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.121 -10.579 -2.099 1.00 0.00 H new ATOM 0 HG CYS A 79 1.205 -12.216 -0.076 1.00 0.00 H new ATOM 1262 N LEU A 80 1.174 -11.909 -4.534 1.00 0.00 N ATOM 1263 CA LEU A 80 0.377 -12.905 -5.242 1.00 0.00 C ATOM 1264 C LEU A 80 1.136 -13.458 -6.443 1.00 0.00 C ATOM 1265 O LEU A 80 0.741 -14.464 -7.032 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.949 -12.294 -5.698 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.865 -11.773 -4.590 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.979 -10.919 -5.176 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.442 -12.929 -3.787 1.00 0.00 C ATOM 0 H LEU A 80 0.872 -10.946 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 80 0.174 -13.727 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.732 -11.471 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.494 -13.045 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.273 -11.151 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.621 -10.557 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.546 -10.070 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.569 -11.517 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.091 -12.539 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.018 -13.578 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.630 -13.499 -3.336 1.00 0.00 H new ATOM 1281 N LYS A 81 2.230 -12.794 -6.802 1.00 0.00 N ATOM 1282 CA LYS A 81 3.048 -13.219 -7.932 1.00 0.00 C ATOM 1283 C LYS A 81 4.226 -14.065 -7.461 1.00 0.00 C ATOM 1284 O LYS A 81 4.726 -14.916 -8.198 1.00 0.00 O ATOM 1285 CB LYS A 81 3.558 -12.002 -8.706 1.00 0.00 C ATOM 1286 CG LYS A 81 4.896 -11.482 -8.210 1.00 0.00 C ATOM 1287 CD LYS A 81 5.426 -10.370 -9.099 1.00 0.00 C ATOM 1288 CE LYS A 81 6.095 -10.925 -10.347 1.00 0.00 C ATOM 1289 NZ LYS A 81 6.774 -9.858 -11.134 1.00 0.00 N ATOM 0 H LYS A 81 2.571 -11.959 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 81 2.427 -13.826 -8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.648 -12.264 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.820 -11.203 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.789 -11.114 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.616 -12.299 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.607 -9.711 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.140 -9.765 -8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.823 -11.685 -10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.349 -11.417 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.722 -10.088 -12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.304 -8.947 -10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.771 -9.794 -10.844 1.00 0.00 H new ATOM 1303 N TYR A 82 4.665 -13.828 -6.230 1.00 0.00 N ATOM 1304 CA TYR A 82 5.786 -14.568 -5.662 1.00 0.00 C ATOM 1305 C TYR A 82 5.319 -15.894 -5.069 1.00 0.00 C ATOM 1306 O TYR A 82 5.895 -16.946 -5.344 1.00 0.00 O ATOM 1307 CB TYR A 82 6.483 -13.734 -4.586 1.00 0.00 C ATOM 1308 CG TYR A 82 7.919 -14.137 -4.342 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.883 -13.983 -5.330 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.313 -14.672 -3.121 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.197 -14.351 -5.112 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.624 -15.043 -2.893 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.562 -14.880 -3.892 1.00 0.00 C ATOM 1314 OH TYR A 82 11.870 -15.247 -3.670 1.00 0.00 O ATOM 0 H TYR A 82 4.262 -13.129 -5.606 1.00 0.00 H new ATOM 0 HA TYR A 82 6.493 -14.778 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.454 -12.684 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.926 -13.822 -3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.600 -13.568 -6.286 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.581 -14.800 -2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.933 -14.225 -5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.913 -15.458 -1.939 1.00 0.00 H new ATOM 0 HH TYR A 82 12.345 -15.297 -4.525 1.00 0.00 H new ATOM 1324 N ASN A 83 4.270 -15.834 -4.254 1.00 0.00 N ATOM 1325 CA ASN A 83 3.725 -17.030 -3.621 1.00 0.00 C ATOM 1326 C ASN A 83 2.486 -17.520 -4.365 1.00 0.00 C ATOM 1327 O ASN A 83 2.052 -16.910 -5.341 1.00 0.00 O ATOM 1328 CB ASN A 83 3.377 -16.745 -2.160 1.00 0.00 C ATOM 1329 CG ASN A 83 4.274 -15.686 -1.548 1.00 0.00 C ATOM 1330 OD1 ASN A 83 5.465 -15.914 -1.333 1.00 0.00 O ATOM 1331 ND2 ASN A 83 3.704 -14.521 -1.263 1.00 0.00 N ATOM 0 H ASN A 83 3.781 -14.971 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 83 4.484 -17.811 -3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.339 -16.420 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.461 -17.666 -1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.257 -13.771 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.713 -14.377 -1.458 1.00 0.00 H new ATOM 1338 N ALA A 84 1.920 -18.627 -3.894 1.00 0.00 N ATOM 1339 CA ALA A 84 0.730 -19.198 -4.512 1.00 0.00 C ATOM 1340 C ALA A 84 -0.426 -19.264 -3.518 1.00 0.00 C ATOM 1341 O ALA A 84 -0.232 -19.107 -2.312 1.00 0.00 O ATOM 1342 CB ALA A 84 1.034 -20.583 -5.061 1.00 0.00 C ATOM 0 H ALA A 84 2.267 -19.146 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 84 0.431 -18.550 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.136 -20.998 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.824 -20.513 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.360 -21.233 -4.249 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.629 -19.494 -4.033 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.817 -19.580 -3.192 1.00 0.00 C ATOM 1350 C LYS A 85 -2.607 -20.575 -2.054 1.00 0.00 C ATOM 1351 O LYS A 85 -3.183 -20.428 -0.976 1.00 0.00 O ATOM 1352 CB LYS A 85 -4.030 -19.996 -4.028 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.251 -19.124 -5.252 1.00 0.00 C ATOM 1354 CD LYS A 85 -4.883 -19.909 -6.390 1.00 0.00 C ATOM 1355 CE LYS A 85 -3.910 -20.922 -6.974 1.00 0.00 C ATOM 1356 NZ LYS A 85 -4.338 -21.388 -8.322 1.00 0.00 N ATOM 0 H LYS A 85 -1.807 -19.624 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.999 -18.595 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.904 -21.031 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.922 -19.962 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.892 -18.283 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.298 -18.709 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.773 -20.424 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.208 -19.222 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.918 -20.475 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.829 -21.777 -6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.649 -22.077 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.274 -21.837 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.391 -20.576 -8.970 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.779 -21.583 -2.301 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.492 -22.600 -1.296 1.00 0.00 C ATOM 1372 C ASP A 86 -0.827 -21.980 -0.071 1.00 0.00 C ATOM 1373 O ASP A 86 -1.145 -22.329 1.067 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.593 -23.689 -1.884 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.914 -23.983 -3.336 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -2.056 -23.708 -3.759 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -0.022 -24.489 -4.050 1.00 0.00 O ATOM 0 H ASP A 86 -1.294 -21.718 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.437 -23.048 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.449 -23.380 -1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.703 -24.602 -1.299 1.00 0.00 H new ATOM 1382 N THR A 87 0.102 -21.059 -0.311 1.00 0.00 N ATOM 1383 CA THR A 87 0.815 -20.391 0.772 1.00 0.00 C ATOM 1384 C THR A 87 -0.108 -19.452 1.540 1.00 0.00 C ATOM 1385 O THR A 87 -1.262 -19.250 1.158 1.00 0.00 O ATOM 1386 CB THR A 87 2.018 -19.590 0.241 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.563 -18.498 -0.565 1.00 0.00 O ATOM 1388 CG2 THR A 87 2.942 -20.480 -0.576 1.00 0.00 C ATOM 0 H THR A 87 0.378 -20.759 -1.246 1.00 0.00 H new ATOM 0 HA THR A 87 1.175 -21.171 1.443 1.00 0.00 H new ATOM 0 HB THR A 87 2.574 -19.203 1.095 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.177 -18.844 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.784 -19.892 -0.941 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.310 -21.293 0.049 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.394 -20.893 -1.423 1.00 0.00 H new ATOM 1396 N ILE A 88 0.407 -18.881 2.623 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.371 -17.960 3.444 1.00 0.00 C ATOM 1398 C ILE A 88 -0.297 -16.539 2.898 1.00 0.00 C ATOM 1399 O ILE A 88 -1.310 -15.959 2.508 1.00 0.00 O ATOM 1400 CB ILE A 88 0.114 -17.963 4.906 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.561 -19.092 5.687 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.167 -16.618 5.559 1.00 0.00 C ATOM 1403 CD1 ILE A 88 -0.274 -19.055 7.173 1.00 0.00 C ATOM 0 H ILE A 88 1.359 -19.039 2.953 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.405 -18.305 3.412 1.00 0.00 H new ATOM 0 HB ILE A 88 1.191 -18.132 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.638 -19.037 5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.230 -20.050 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.181 -16.635 6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.355 -15.832 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.239 -16.422 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.784 -19.884 7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.800 -19.141 7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.631 -18.113 7.589 1.00 0.00 H new ATOM 1415 N PHE A 89 0.910 -15.983 2.871 1.00 0.00 N ATOM 1416 CA PHE A 89 1.118 -14.630 2.371 1.00 0.00 C ATOM 1417 C PHE A 89 0.233 -14.356 1.159 1.00 0.00 C ATOM 1418 O PHE A 89 -0.115 -13.208 0.878 1.00 0.00 O ATOM 1419 CB PHE A 89 2.588 -14.419 2.001 1.00 0.00 C ATOM 1420 CG PHE A 89 3.540 -15.195 2.865 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.390 -15.213 4.242 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.586 -15.908 2.300 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.266 -15.925 5.040 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.465 -16.622 3.093 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.303 -16.632 4.465 1.00 0.00 C ATOM 0 H PHE A 89 1.759 -16.450 3.190 1.00 0.00 H new ATOM 0 HA PHE A 89 0.846 -13.932 3.163 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.737 -14.706 0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.825 -13.358 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.579 -14.664 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.716 -15.906 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.139 -15.928 6.113 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.277 -17.171 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.986 -17.192 5.086 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.128 -15.416 0.445 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.970 -15.290 -0.739 1.00 0.00 C ATOM 1437 C TYR A 90 -2.395 -14.904 -0.355 1.00 0.00 C ATOM 1438 O TYR A 90 -2.894 -13.852 -0.755 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.980 -16.603 -1.525 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.563 -16.472 -2.914 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.916 -16.216 -3.099 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.761 -16.604 -4.040 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.454 -16.096 -4.366 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.290 -16.484 -5.312 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.636 -16.231 -5.469 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.167 -16.112 -6.732 1.00 0.00 O ATOM 0 H TYR A 90 0.149 -16.373 0.665 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.555 -14.501 -1.367 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.040 -16.978 -1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.552 -17.346 -0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.558 -16.109 -2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.294 -16.804 -3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.508 -15.898 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.652 -16.588 -6.177 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.458 -16.232 -7.398 1.00 0.00 H new ATOM 1456 N ARG A 91 -3.044 -15.762 0.424 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.412 -15.513 0.864 1.00 0.00 C ATOM 1458 C ARG A 91 -4.514 -14.176 1.590 1.00 0.00 C ATOM 1459 O ARG A 91 -5.482 -13.435 1.416 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.890 -16.642 1.779 1.00 0.00 C ATOM 1461 CG ARG A 91 -5.241 -17.921 1.036 1.00 0.00 C ATOM 1462 CD ARG A 91 -5.348 -19.104 1.986 1.00 0.00 C ATOM 1463 NE ARG A 91 -6.515 -19.001 2.859 1.00 0.00 N ATOM 1464 CZ ARG A 91 -7.764 -19.170 2.439 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -8.006 -19.449 1.166 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -8.773 -19.061 3.294 1.00 0.00 N ATOM 0 H ARG A 91 -2.645 -16.637 0.764 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.050 -15.477 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.112 -16.859 2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.764 -16.303 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.186 -17.789 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.481 -18.126 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.407 -20.027 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.445 -19.164 2.593 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.362 -18.788 3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.232 -19.534 0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.966 -19.578 0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.590 -18.847 4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.732 -19.191 2.971 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.510 -13.873 2.406 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.486 -12.625 3.158 1.00 0.00 C ATOM 1482 C ALA A 92 -3.500 -11.420 2.224 1.00 0.00 C ATOM 1483 O ALA A 92 -4.224 -10.453 2.454 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.264 -12.578 4.064 1.00 0.00 C ATOM 0 H ALA A 92 -2.702 -14.475 2.563 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.384 -12.584 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.259 -11.640 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.297 -13.414 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.360 -12.646 3.459 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.695 -11.486 1.168 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.616 -10.401 0.199 1.00 0.00 C ATOM 1492 C ALA A 93 -3.938 -10.231 -0.543 1.00 0.00 C ATOM 1493 O ALA A 93 -4.374 -9.111 -0.806 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.485 -10.655 -0.787 1.00 0.00 C ATOM 0 H ALA A 93 -2.089 -12.280 0.963 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.411 -9.477 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.438 -9.836 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.540 -10.720 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.666 -11.591 -1.315 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.570 -11.351 -0.880 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.842 -11.326 -1.592 1.00 0.00 C ATOM 1502 C VAL A 94 -6.882 -10.512 -0.829 1.00 0.00 C ATOM 1503 O VAL A 94 -7.472 -9.577 -1.370 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.386 -12.748 -1.820 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.861 -12.704 -2.189 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.580 -13.460 -2.895 1.00 0.00 C ATOM 0 H VAL A 94 -4.222 -12.287 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.655 -10.858 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.286 -13.309 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.227 -13.719 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.424 -12.236 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.990 -12.126 -3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.978 -14.464 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.646 -12.902 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.537 -13.526 -2.584 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.102 -10.876 0.431 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.073 -10.180 1.268 1.00 0.00 C ATOM 1518 C ARG A 95 -7.753 -8.689 1.347 1.00 0.00 C ATOM 1519 O ARG A 95 -8.628 -7.844 1.155 1.00 0.00 O ATOM 1520 CB ARG A 95 -8.090 -10.783 2.673 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.843 -9.939 3.689 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.402 -10.791 4.817 1.00 0.00 C ATOM 1523 NE ARG A 95 -9.521 -10.040 6.064 1.00 0.00 N ATOM 1524 CZ ARG A 95 -8.489 -9.744 6.845 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -7.266 -10.133 6.510 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -8.678 -9.056 7.965 1.00 0.00 N ATOM 0 H ARG A 95 -6.622 -11.648 0.894 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.058 -10.300 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.543 -11.773 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.063 -10.917 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.176 -9.182 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.657 -9.411 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.381 -11.175 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.755 -11.654 4.974 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.448 -9.726 6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.116 -10.661 5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.475 -9.904 7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.617 -8.754 8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.884 -8.829 8.564 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.493 -8.374 1.630 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.058 -6.986 1.735 1.00 0.00 C ATOM 1542 C LEU A 96 -6.611 -6.153 0.584 1.00 0.00 C ATOM 1543 O LEU A 96 -7.216 -5.102 0.800 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.530 -6.910 1.747 1.00 0.00 C ATOM 1545 CG LEU A 96 -3.849 -7.272 3.067 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.344 -7.377 2.880 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.185 -6.245 4.139 1.00 0.00 C ATOM 0 H LEU A 96 -5.756 -9.061 1.791 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.444 -6.580 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.147 -7.573 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.235 -5.897 1.475 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.222 -8.243 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.876 -7.635 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.122 -8.150 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.953 -6.421 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.692 -6.518 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.840 -5.261 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.264 -6.219 4.293 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.402 -6.630 -0.638 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.881 -5.929 -1.824 1.00 0.00 C ATOM 1561 C ARG A 97 -8.405 -5.845 -1.827 1.00 0.00 C ATOM 1562 O ARG A 97 -8.977 -4.826 -2.210 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.397 -6.637 -3.091 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.991 -6.070 -4.370 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.959 -7.089 -5.498 1.00 0.00 C ATOM 1566 NE ARG A 97 -7.866 -6.731 -6.585 1.00 0.00 N ATOM 1567 CZ ARG A 97 -7.782 -7.238 -7.811 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -6.836 -8.120 -8.103 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -8.645 -6.861 -8.746 1.00 0.00 N ATOM 0 H ARG A 97 -5.904 -7.499 -0.833 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.478 -4.916 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.310 -6.568 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.646 -7.696 -3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.020 -5.759 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.437 -5.180 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.943 -7.169 -5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.230 -8.070 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.605 -6.055 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.171 -8.411 -7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.773 -8.508 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.373 -6.182 -8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.580 -7.250 -9.687 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.053 -6.923 -1.398 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.510 -6.970 -1.353 1.00 0.00 C ATOM 1585 C GLU A 98 -11.061 -5.883 -0.434 1.00 0.00 C ATOM 1586 O GLU A 98 -11.728 -4.953 -0.888 1.00 0.00 O ATOM 1587 CB GLU A 98 -10.984 -8.345 -0.875 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.625 -9.475 -1.825 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.631 -10.611 -1.786 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -12.717 -10.460 -2.383 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.331 -11.647 -1.158 1.00 0.00 O ATOM 0 H GLU A 98 -8.593 -7.775 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.885 -6.795 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.548 -8.551 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.066 -8.322 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.562 -9.085 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.638 -9.860 -1.570 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.778 -6.009 0.859 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.246 -5.038 1.840 1.00 0.00 C ATOM 1600 C GLN A 99 -10.591 -3.679 1.619 1.00 0.00 C ATOM 1601 O GLN A 99 -11.271 -2.658 1.532 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.953 -5.533 3.258 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.436 -6.951 3.520 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.640 -7.235 4.995 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.665 -6.319 5.817 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.788 -8.509 5.337 1.00 0.00 N ATOM 0 H GLN A 99 -10.228 -6.773 1.251 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.323 -4.926 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.879 -5.485 3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.425 -4.859 3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.374 -7.115 2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.712 -7.658 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.760 -9.236 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.929 -8.761 6.315 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.264 -3.675 1.526 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.540 -2.436 1.314 1.00 0.00 C ATOM 1617 C GLY A 100 -9.200 -1.547 0.278 1.00 0.00 C ATOM 1618 O GLY A 100 -9.183 -0.324 0.397 1.00 0.00 O ATOM 0 H GLY A 100 -8.679 -4.508 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.467 -1.896 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.522 -2.663 0.997 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.781 -2.166 -0.746 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.440 -1.408 -1.794 1.00 0.00 C ATOM 1624 C GLY A 101 -11.342 -0.322 -1.244 1.00 0.00 C ATOM 1625 O GLY A 101 -11.378 0.791 -1.770 1.00 0.00 O ATOM 0 H GLY A 101 -9.807 -3.178 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.687 -0.958 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.028 -2.085 -2.413 1.00 0.00 H new ATOM 1629 N ALA A 102 -12.074 -0.644 -0.182 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.981 0.314 0.439 1.00 0.00 C ATOM 1631 C ALA A 102 -12.211 1.472 1.065 1.00 0.00 C ATOM 1632 O ALA A 102 -12.606 2.631 0.943 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.842 -0.377 1.485 1.00 0.00 C ATOM 0 H ALA A 102 -12.057 -1.560 0.266 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.629 0.721 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.514 0.350 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.427 -1.166 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.203 -0.811 2.253 1.00 0.00 H new ATOM 1639 N VAL A 103 -11.110 1.150 1.737 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.284 2.164 2.383 1.00 0.00 C ATOM 1641 C VAL A 103 -9.801 3.201 1.376 1.00 0.00 C ATOM 1642 O VAL A 103 -9.940 4.406 1.593 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.065 1.533 3.081 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.159 2.613 3.651 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.514 0.571 4.171 1.00 0.00 C ATOM 0 H VAL A 103 -10.769 0.195 1.848 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.908 2.652 3.131 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.497 0.968 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.303 2.149 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.810 3.258 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.714 3.207 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.640 0.134 4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.106 1.110 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.119 -0.222 3.730 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.231 2.726 0.273 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.725 3.613 -0.769 1.00 0.00 C ATOM 1657 C LEU A 104 -9.873 4.290 -1.511 1.00 0.00 C ATOM 1658 O LEU A 104 -9.693 5.344 -2.123 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.857 2.830 -1.755 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.581 2.211 -1.182 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -6.018 1.170 -2.136 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.548 3.291 -0.898 1.00 0.00 C ATOM 0 H LEU A 104 -9.108 1.732 0.078 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.119 4.384 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.462 2.032 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.579 3.496 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.829 1.716 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.111 0.741 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.755 0.382 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.784 1.640 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.646 2.834 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.304 3.813 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.953 4.001 -0.176 1.00 0.00 H new ATOM 1674 N ARG A 105 -11.052 3.681 -1.450 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.230 4.226 -2.116 1.00 0.00 C ATOM 1676 C ARG A 105 -12.808 5.395 -1.324 1.00 0.00 C ATOM 1677 O ARG A 105 -13.233 6.395 -1.900 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.290 3.139 -2.292 1.00 0.00 C ATOM 1679 CG ARG A 105 -13.171 2.377 -3.600 1.00 0.00 C ATOM 1680 CD ARG A 105 -13.982 3.036 -4.706 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.411 2.785 -6.026 1.00 0.00 N ATOM 1682 CZ ARG A 105 -13.772 3.448 -7.120 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -14.697 4.396 -7.050 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -13.208 3.163 -8.286 1.00 0.00 N ATOM 0 H ARG A 105 -11.218 2.810 -0.946 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.928 4.590 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.217 2.435 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.278 3.595 -2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.124 2.324 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.514 1.352 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -15.006 2.663 -4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.029 4.111 -4.530 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.697 2.062 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.133 4.618 -6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.972 4.903 -7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.497 2.434 -8.344 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.486 3.672 -9.125 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.823 5.258 -0.002 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.351 6.302 0.868 1.00 0.00 C ATOM 1700 C GLN A 106 -12.368 7.462 0.986 1.00 0.00 C ATOM 1701 O GLN A 106 -12.751 8.582 1.324 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.657 5.735 2.255 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.436 5.631 3.154 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.795 5.331 4.595 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.453 4.332 4.887 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.364 6.196 5.506 1.00 0.00 N ATOM 0 H GLN A 106 -12.476 4.435 0.490 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.274 6.675 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.402 6.366 2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.101 4.746 2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.778 4.848 2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.877 6.566 3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.822 7.011 5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.575 6.046 6.492 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.098 7.185 0.706 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.060 8.205 0.780 1.00 0.00 C ATOM 1717 C ALA A 107 -9.903 8.926 -0.554 1.00 0.00 C ATOM 1718 O ALA A 107 -9.539 10.101 -0.597 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.738 7.583 1.206 1.00 0.00 C ATOM 0 H ALA A 107 -10.764 6.263 0.426 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.360 8.940 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.972 8.356 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.853 7.120 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.441 6.826 0.480 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.178 8.213 -1.642 1.00 0.00 N ATOM 1726 CA ARG A 108 -10.064 8.786 -2.978 1.00 0.00 C ATOM 1727 C ARG A 108 -10.967 10.007 -3.126 1.00 0.00 C ATOM 1728 O ARG A 108 -10.543 11.048 -3.628 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.425 7.740 -4.035 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.951 8.100 -5.434 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.490 7.127 -6.473 1.00 0.00 C ATOM 1732 NE ARG A 108 -9.783 7.238 -7.746 1.00 0.00 N ATOM 1733 CZ ARG A 108 -10.041 6.472 -8.798 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -10.984 5.542 -8.730 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -9.355 6.633 -9.922 1.00 0.00 N ATOM 0 H ARG A 108 -10.481 7.239 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.031 9.101 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.991 6.782 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.507 7.609 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.274 9.112 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.861 8.097 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.400 6.108 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.552 7.316 -6.630 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.051 7.943 -7.831 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.513 5.414 -7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.180 4.954 -9.540 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.628 7.346 -9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.554 6.043 -10.730 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.213 9.871 -2.684 1.00 0.00 N ATOM 1750 CA ARG A 109 -13.176 10.963 -2.769 1.00 0.00 C ATOM 1751 C ARG A 109 -12.645 12.212 -2.072 1.00 0.00 C ATOM 1752 O ARG A 109 -12.919 13.333 -2.496 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.509 10.545 -2.143 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.413 10.228 -0.660 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.770 9.862 -0.079 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.539 11.045 0.300 1.00 0.00 N ATOM 1757 CZ ARG A 109 -17.698 10.991 0.947 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -18.219 9.819 1.285 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -18.338 12.110 1.258 1.00 0.00 N ATOM 0 H ARG A 109 -12.579 9.017 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.333 11.195 -3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.236 11.344 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.889 9.669 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.716 9.404 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.009 11.089 -0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -16.333 9.282 -0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.631 9.225 0.794 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.166 11.962 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -17.730 8.956 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -19.109 9.781 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -17.940 13.013 1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.228 12.067 1.755 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.885 12.007 -1.001 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.317 13.117 -0.245 1.00 0.00 C ATOM 1775 C GLN A 110 -10.269 13.858 -1.070 1.00 0.00 C ATOM 1776 O GLN A 110 -10.441 15.030 -1.399 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.693 12.609 1.057 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.650 11.794 1.912 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.268 11.798 3.379 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.059 10.743 3.981 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.173 12.986 3.964 1.00 0.00 N ATOM 0 H GLN A 110 -11.649 11.084 -0.638 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.123 13.811 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.822 11.999 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.337 13.461 1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.659 12.192 1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.671 10.767 1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.355 13.834 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -10.918 13.050 4.950 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.184 13.165 -1.399 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.111 13.756 -2.187 1.00 0.00 C ATOM 1792 C ALA A 111 -8.667 14.629 -3.307 1.00 0.00 C ATOM 1793 O ALA A 111 -8.000 15.548 -3.778 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.214 12.667 -2.759 1.00 0.00 C ATOM 0 H ALA A 111 -9.025 12.194 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.518 14.391 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.417 13.123 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.779 12.088 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.803 12.009 -3.398 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.892 14.332 -3.728 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.536 15.090 -4.795 1.00 0.00 C ATOM 1802 C GLU A 112 -11.269 16.305 -4.233 1.00 0.00 C ATOM 1803 O GLU A 112 -11.194 17.402 -4.788 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.517 14.200 -5.562 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.853 13.027 -6.263 1.00 0.00 C ATOM 1806 CD GLU A 112 -11.598 12.597 -7.513 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -12.776 12.202 -7.395 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.000 12.657 -8.608 1.00 0.00 O ATOM 0 H GLU A 112 -10.458 13.573 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.761 15.438 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.268 13.821 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.042 14.805 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.831 13.298 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.790 12.185 -5.574 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.978 16.102 -3.127 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.724 17.179 -2.489 1.00 0.00 C ATOM 1817 C LYS A 113 -11.792 18.307 -2.060 1.00 0.00 C ATOM 1818 O LYS A 113 -12.217 19.452 -1.904 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.490 16.646 -1.274 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.699 16.714 0.020 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.550 16.317 1.215 1.00 0.00 C ATOM 1822 CE LYS A 113 -12.899 16.732 2.525 1.00 0.00 C ATOM 1823 NZ LYS A 113 -13.892 16.823 3.632 1.00 0.00 N ATOM 0 H LYS A 113 -12.051 15.201 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.434 17.575 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.412 17.216 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.777 15.611 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.833 16.055 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.319 17.726 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.533 16.781 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.705 15.238 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -12.124 16.012 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.408 17.697 2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -13.410 17.108 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.617 17.528 3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.343 15.896 3.771 1.00 0.00 H new ATOM 1837 N MET A 114 -10.518 17.977 -1.872 1.00 0.00 N ATOM 1838 CA MET A 114 -9.525 18.963 -1.464 1.00 0.00 C ATOM 1839 C MET A 114 -9.682 20.255 -2.261 1.00 0.00 C ATOM 1840 O MET A 114 -9.807 21.337 -1.690 1.00 0.00 O ATOM 1841 CB MET A 114 -8.113 18.405 -1.648 1.00 0.00 C ATOM 1842 CG MET A 114 -7.800 17.229 -0.738 1.00 0.00 C ATOM 1843 SD MET A 114 -7.553 17.726 0.977 1.00 0.00 S ATOM 1844 CE MET A 114 -7.037 16.174 1.709 1.00 0.00 C ATOM 0 H MET A 114 -10.150 17.034 -1.996 1.00 0.00 H new ATOM 0 HA MET A 114 -9.684 19.186 -0.409 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.986 18.095 -2.685 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.390 19.200 -1.462 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.615 16.507 -0.789 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.904 16.724 -1.099 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.500 16.370 2.637 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.914 15.562 1.919 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.382 15.645 1.016 1.00 0.00 H new