USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 672 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: C 51 TYR OH : rot 84:sc= -1.24! USER MOD Set 1.2: C 53 SER OG : rot 85:sc= 0.447 USER MOD Set 2.1: C 49 ASN : amide:sc= -1.12 K(o=-3.1,f=-2.5) USER MOD Set 2.2: D 71 ASN : amide:sc= -1.96 K(o=-3.1,f=-9.3!) USER MOD Set 3.1: A 5 ASN : amide:sc= -5.34 K(o=-7.7,f=-12!) USER MOD Set 3.2: A 6 CYS SG : rot 99:sc= -0.345 USER MOD Set 3.3: B 27 ASN : amide:sc= -2.02 K(o=-7.7,f=-13!) USER MOD Single : A 1 SER N :NH3+ -148:sc= 0.0302 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -6.54! C(o=-6.5!,f=-8.3!) USER MOD Single : A 7 TYR OH : rot 138:sc= 0.455! USER MOD Single : A 9 SER OG : rot -24:sc= 1.82 USER MOD Single : A 12 HIS : no HE2:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -1.55 (180deg=-3.5!) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : B 28 CYS SG : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 166:sc= 0.742 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.19) USER MOD Single : B 36 SER OG : rot 150:sc= -0.303 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 SER OG : rot -24:sc= 0.323 USER MOD Single : C 46 ASN : amide:sc= -0.514 K(o=-0.51,f=0) USER MOD Single : C 50 CYS SG : rot 180:sc= -0.0246 USER MOD Single : C 56 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.5) USER MOD Single : C 58 SER OG : rot 143:sc= 0.096 USER MOD Single : C 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 67 SER OG : rot 25:sc= 0.947 USER MOD Single : D 68 ASN : amide:sc= -1.15 K(o=-1.2,f=-7!) USER MOD Single : D 72 CYS SG : rot 180:sc= 0 USER MOD Single : D 73 TYR OH : rot 180:sc= 0 USER MOD Single : D 75 SER OG : rot 176:sc= -1.32 USER MOD Single : D 78 HIS : no HD1:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : D 80 SER OG : rot -170:sc= -1.14 USER MOD Single : D 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.701 7.964 -9.833 1.00 0.00 N ATOM 2 CA SER A 1 13.844 7.545 -8.414 1.00 0.00 C ATOM 3 C SER A 1 12.530 7.708 -7.655 1.00 0.00 C ATOM 4 O SER A 1 11.474 7.892 -8.259 1.00 0.00 O ATOM 5 CB SER A 1 14.940 8.393 -7.763 1.00 0.00 C ATOM 6 OG SER A 1 15.803 7.591 -6.976 1.00 0.00 O ATOM 0 H1 SER A 1 14.331 7.391 -10.429 1.00 0.00 H new ATOM 0 H2 SER A 1 12.716 7.826 -10.138 1.00 0.00 H new ATOM 0 H3 SER A 1 13.955 8.968 -9.926 1.00 0.00 H new ATOM 0 HA SER A 1 14.114 6.490 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.516 8.904 -8.535 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.486 9.164 -7.141 1.00 0.00 H new ATOM 0 HG SER A 1 16.495 8.155 -6.572 1.00 0.00 H new ATOM 14 N ASN A 2 12.608 7.639 -6.327 1.00 0.00 N ATOM 15 CA ASN A 2 11.432 7.779 -5.468 1.00 0.00 C ATOM 16 C ASN A 2 10.246 6.975 -5.999 1.00 0.00 C ATOM 17 O ASN A 2 9.499 7.442 -6.859 1.00 0.00 O ATOM 18 CB ASN A 2 11.044 9.253 -5.326 1.00 0.00 C ATOM 19 CG ASN A 2 10.693 9.896 -6.653 1.00 0.00 C ATOM 20 OD1 ASN A 2 9.530 9.927 -7.054 1.00 0.00 O ATOM 21 ND2 ASN A 2 11.702 10.414 -7.345 1.00 0.00 N ATOM 0 H ASN A 2 13.479 7.486 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 2 11.695 7.382 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.193 9.337 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.869 9.799 -4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 2 11.527 10.859 -8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.651 10.367 -6.975 1.00 0.00 H new ATOM 28 N PHE A 3 10.077 5.766 -5.474 1.00 0.00 N ATOM 29 CA PHE A 3 8.980 4.896 -5.886 1.00 0.00 C ATOM 30 C PHE A 3 7.669 5.349 -5.247 1.00 0.00 C ATOM 31 O PHE A 3 7.444 5.147 -4.054 1.00 0.00 O ATOM 32 CB PHE A 3 9.289 3.442 -5.496 1.00 0.00 C ATOM 33 CG PHE A 3 8.374 2.406 -6.109 1.00 0.00 C ATOM 34 CD1 PHE A 3 7.067 2.715 -6.469 1.00 0.00 C ATOM 35 CD2 PHE A 3 8.822 1.106 -6.306 1.00 0.00 C ATOM 36 CE1 PHE A 3 6.234 1.757 -7.009 1.00 0.00 C ATOM 37 CE2 PHE A 3 7.989 0.146 -6.848 1.00 0.00 C ATOM 38 CZ PHE A 3 6.695 0.472 -7.198 1.00 0.00 C ATOM 0 H PHE A 3 10.687 5.365 -4.761 1.00 0.00 H new ATOM 0 HA PHE A 3 8.873 4.957 -6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 3 10.315 3.215 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.237 3.354 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.699 3.720 -6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.833 0.843 -6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.221 2.014 -7.283 1.00 0.00 H new ATOM 0 HE2 PHE A 3 8.351 -0.860 -6.998 1.00 0.00 H new ATOM 0 HZ PHE A 3 6.044 -0.279 -7.620 1.00 0.00 H new ATOM 48 N LEU A 4 6.805 5.955 -6.056 1.00 0.00 N ATOM 49 CA LEU A 4 5.510 6.430 -5.581 1.00 0.00 C ATOM 50 C LEU A 4 4.415 5.418 -5.909 1.00 0.00 C ATOM 51 O LEU A 4 3.546 5.675 -6.743 1.00 0.00 O ATOM 52 CB LEU A 4 5.178 7.787 -6.209 1.00 0.00 C ATOM 53 CG LEU A 4 6.377 8.714 -6.427 1.00 0.00 C ATOM 54 CD1 LEU A 4 6.896 8.590 -7.851 1.00 0.00 C ATOM 55 CD2 LEU A 4 6.003 10.156 -6.119 1.00 0.00 C ATOM 0 H LEU A 4 6.979 6.129 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 4 5.563 6.547 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.692 7.616 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.455 8.297 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 4 7.171 8.413 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.748 9.256 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.206 7.562 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.106 8.863 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.869 10.799 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.191 10.469 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.681 10.235 -5.081 1.00 0.00 H new ATOM 67 N ASN A 5 4.469 4.261 -5.254 1.00 0.00 N ATOM 68 CA ASN A 5 3.491 3.202 -5.480 1.00 0.00 C ATOM 69 C ASN A 5 2.103 3.606 -4.977 1.00 0.00 C ATOM 70 O ASN A 5 1.903 4.721 -4.492 1.00 0.00 O ATOM 71 CB ASN A 5 3.944 1.908 -4.793 1.00 0.00 C ATOM 72 CG ASN A 5 3.634 1.889 -3.307 1.00 0.00 C ATOM 73 OD1 ASN A 5 2.472 1.815 -2.908 1.00 0.00 O ATOM 74 ND2 ASN A 5 4.672 1.957 -2.482 1.00 0.00 N ATOM 0 H ASN A 5 5.182 4.033 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 5 3.423 3.034 -6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.457 1.059 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.017 1.783 -4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.523 1.949 -1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.619 2.017 -2.857 1.00 0.00 H new ATOM 81 N CYS A 6 1.153 2.681 -5.093 1.00 0.00 N ATOM 82 CA CYS A 6 -0.218 2.915 -4.651 1.00 0.00 C ATOM 83 C CYS A 6 -0.887 4.015 -5.475 1.00 0.00 C ATOM 84 O CYS A 6 -0.380 4.410 -6.524 1.00 0.00 O ATOM 85 CB CYS A 6 -0.242 3.258 -3.160 1.00 0.00 C ATOM 86 SG CYS A 6 -0.354 1.810 -2.083 1.00 0.00 S ATOM 0 H CYS A 6 1.310 1.756 -5.493 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.787 1.998 -4.806 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.660 3.817 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.089 3.914 -2.961 1.00 0.00 H new ATOM 0 HG CYS A 6 0.831 1.502 -1.645 1.00 0.00 H new ATOM 92 N TYR A 7 -2.041 4.494 -5.007 1.00 0.00 N ATOM 93 CA TYR A 7 -2.784 5.531 -5.719 1.00 0.00 C ATOM 94 C TYR A 7 -3.513 6.459 -4.750 1.00 0.00 C ATOM 95 O TYR A 7 -3.892 6.052 -3.652 1.00 0.00 O ATOM 96 CB TYR A 7 -3.801 4.883 -6.661 1.00 0.00 C ATOM 97 CG TYR A 7 -4.936 4.204 -5.926 1.00 0.00 C ATOM 98 CD1 TYR A 7 -6.004 4.942 -5.431 1.00 0.00 C ATOM 99 CD2 TYR A 7 -4.933 2.831 -5.715 1.00 0.00 C ATOM 100 CE1 TYR A 7 -7.037 4.331 -4.747 1.00 0.00 C ATOM 101 CE2 TYR A 7 -5.963 2.213 -5.029 1.00 0.00 C ATOM 102 CZ TYR A 7 -7.011 2.969 -4.548 1.00 0.00 C ATOM 103 OH TYR A 7 -8.035 2.360 -3.863 1.00 0.00 O ATOM 0 H TYR A 7 -2.479 4.181 -4.141 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.069 6.124 -6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.209 5.644 -7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.292 4.151 -7.289 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.027 6.011 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.114 2.237 -6.092 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.861 4.919 -4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.946 1.145 -4.871 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.281 1.526 -4.316 1.00 0.00 H new ATOM 113 N VAL A 8 -3.723 7.702 -5.169 1.00 0.00 N ATOM 114 CA VAL A 8 -4.420 8.678 -4.342 1.00 0.00 C ATOM 115 C VAL A 8 -5.905 8.736 -4.702 1.00 0.00 C ATOM 116 O VAL A 8 -6.334 9.593 -5.473 1.00 0.00 O ATOM 117 CB VAL A 8 -3.801 10.083 -4.492 1.00 0.00 C ATOM 118 CG1 VAL A 8 -3.840 10.541 -5.943 1.00 0.00 C ATOM 119 CG2 VAL A 8 -4.510 11.082 -3.587 1.00 0.00 C ATOM 0 H VAL A 8 -3.420 8.057 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.315 8.357 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.756 10.029 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.398 11.534 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.276 9.842 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.874 10.575 -6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.058 12.067 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.565 11.131 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.415 10.764 -2.549 1.00 0.00 H new ATOM 129 N SER A 9 -6.684 7.817 -4.136 1.00 0.00 N ATOM 130 CA SER A 9 -8.118 7.763 -4.399 1.00 0.00 C ATOM 131 C SER A 9 -8.396 7.502 -5.878 1.00 0.00 C ATOM 132 O SER A 9 -8.040 8.308 -6.737 1.00 0.00 O ATOM 133 CB SER A 9 -8.786 9.070 -3.963 1.00 0.00 C ATOM 134 OG SER A 9 -8.731 10.043 -4.993 1.00 0.00 O ATOM 0 H SER A 9 -6.346 7.101 -3.493 1.00 0.00 H new ATOM 0 HA SER A 9 -8.536 6.938 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.825 8.879 -3.695 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.292 9.454 -3.070 1.00 0.00 H new ATOM 0 HG SER A 9 -7.984 9.841 -5.594 1.00 0.00 H new ATOM 140 N GLY A 10 -9.036 6.372 -6.166 1.00 0.00 N ATOM 141 CA GLY A 10 -9.351 6.027 -7.541 1.00 0.00 C ATOM 142 C GLY A 10 -8.549 4.843 -8.044 1.00 0.00 C ATOM 143 O GLY A 10 -7.328 4.803 -7.894 1.00 0.00 O ATOM 0 H GLY A 10 -9.342 5.690 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.414 5.801 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.160 6.889 -8.181 1.00 0.00 H new ATOM 147 N PHE A 11 -9.236 3.874 -8.645 1.00 0.00 N ATOM 148 CA PHE A 11 -8.578 2.684 -9.175 1.00 0.00 C ATOM 149 C PHE A 11 -9.591 1.735 -9.811 1.00 0.00 C ATOM 150 O PHE A 11 -10.743 1.658 -9.381 1.00 0.00 O ATOM 151 CB PHE A 11 -7.810 1.960 -8.064 1.00 0.00 C ATOM 152 CG PHE A 11 -7.271 0.619 -8.479 1.00 0.00 C ATOM 153 CD1 PHE A 11 -6.392 0.511 -9.544 1.00 0.00 C ATOM 154 CD2 PHE A 11 -7.648 -0.533 -7.807 1.00 0.00 C ATOM 155 CE1 PHE A 11 -5.899 -0.719 -9.931 1.00 0.00 C ATOM 156 CE2 PHE A 11 -7.158 -1.767 -8.187 1.00 0.00 C ATOM 157 CZ PHE A 11 -6.281 -1.860 -9.251 1.00 0.00 C ATOM 0 H PHE A 11 -10.247 3.890 -8.777 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.875 3.003 -9.945 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.982 2.589 -7.737 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.469 1.828 -7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.089 1.399 -10.078 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.334 -0.465 -6.975 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.216 -0.790 -10.764 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.459 -2.657 -7.654 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.895 -2.823 -9.551 1.00 0.00 H new ATOM 167 N HIS A 12 -9.147 1.007 -10.832 1.00 0.00 N ATOM 168 CA HIS A 12 -10.006 0.056 -11.527 1.00 0.00 C ATOM 169 C HIS A 12 -10.070 -1.270 -10.771 1.00 0.00 C ATOM 170 O HIS A 12 -9.176 -1.590 -9.989 1.00 0.00 O ATOM 171 CB HIS A 12 -9.497 -0.177 -12.951 1.00 0.00 C ATOM 172 CG HIS A 12 -8.034 -0.490 -13.019 1.00 0.00 C ATOM 173 ND1 HIS A 12 -7.514 -1.729 -12.716 1.00 0.00 N ATOM 174 CD2 HIS A 12 -6.978 0.287 -13.359 1.00 0.00 C ATOM 175 CE1 HIS A 12 -6.201 -1.703 -12.865 1.00 0.00 C ATOM 176 NE2 HIS A 12 -5.851 -0.492 -13.256 1.00 0.00 N ATOM 0 H HIS A 12 -8.196 1.059 -11.196 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.011 0.476 -11.574 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.057 -0.998 -13.399 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.699 0.711 -13.550 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.058 -2.540 -12.422 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.015 1.325 -13.656 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.529 -2.531 -12.696 1.00 0.00 H new ATOM 185 N PRO A 13 -11.134 -2.060 -10.995 1.00 0.00 N ATOM 186 CA PRO A 13 -11.315 -3.356 -10.330 1.00 0.00 C ATOM 187 C PRO A 13 -10.163 -4.322 -10.605 1.00 0.00 C ATOM 188 O PRO A 13 -9.067 -3.905 -10.978 1.00 0.00 O ATOM 189 CB PRO A 13 -12.625 -3.893 -10.930 1.00 0.00 C ATOM 190 CG PRO A 13 -12.845 -3.098 -12.172 1.00 0.00 C ATOM 191 CD PRO A 13 -12.244 -1.751 -11.909 1.00 0.00 C ATOM 0 HA PRO A 13 -11.342 -3.252 -9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -12.548 -4.957 -11.153 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.455 -3.772 -10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -12.373 -3.576 -13.030 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.908 -3.014 -12.399 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.893 -1.279 -12.827 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -12.963 -1.069 -11.455 1.00 0.00 H new ATOM 199 N SER A 14 -10.424 -5.615 -10.410 1.00 0.00 N ATOM 200 CA SER A 14 -9.424 -6.660 -10.630 1.00 0.00 C ATOM 201 C SER A 14 -8.364 -6.662 -9.524 1.00 0.00 C ATOM 202 O SER A 14 -8.569 -7.262 -8.467 1.00 0.00 O ATOM 203 CB SER A 14 -8.773 -6.515 -12.012 1.00 0.00 C ATOM 204 OG SER A 14 -9.392 -7.368 -12.959 1.00 0.00 O ATOM 0 H SER A 14 -11.329 -5.966 -10.097 1.00 0.00 H new ATOM 0 HA SER A 14 -9.939 -7.620 -10.596 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.848 -5.480 -12.346 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.711 -6.752 -11.944 1.00 0.00 H new ATOM 0 HG SER A 14 -8.960 -7.256 -13.832 1.00 0.00 H new ATOM 210 N ASP A 15 -7.231 -6.000 -9.760 1.00 0.00 N ATOM 211 CA ASP A 15 -6.164 -5.956 -8.766 1.00 0.00 C ATOM 212 C ASP A 15 -4.993 -5.096 -9.242 1.00 0.00 C ATOM 213 O ASP A 15 -4.839 -4.839 -10.436 1.00 0.00 O ATOM 214 CB ASP A 15 -5.690 -7.384 -8.448 1.00 0.00 C ATOM 215 CG ASP A 15 -4.279 -7.442 -7.884 1.00 0.00 C ATOM 216 OD1 ASP A 15 -3.327 -7.162 -8.641 1.00 0.00 O ATOM 217 OD2 ASP A 15 -4.128 -7.768 -6.689 1.00 0.00 O ATOM 0 H ASP A 15 -7.031 -5.493 -10.622 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.560 -5.499 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.378 -7.836 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.735 -7.984 -9.357 1.00 0.00 H new ATOM 222 N ILE A 16 -4.169 -4.663 -8.290 1.00 0.00 N ATOM 223 CA ILE A 16 -3.004 -3.840 -8.590 1.00 0.00 C ATOM 224 C ILE A 16 -1.748 -4.703 -8.702 1.00 0.00 C ATOM 225 O ILE A 16 -1.337 -5.342 -7.734 1.00 0.00 O ATOM 226 CB ILE A 16 -2.800 -2.752 -7.501 1.00 0.00 C ATOM 227 CG1 ILE A 16 -3.376 -1.413 -7.968 1.00 0.00 C ATOM 228 CG2 ILE A 16 -1.328 -2.594 -7.136 1.00 0.00 C ATOM 229 CD1 ILE A 16 -4.442 -0.862 -7.047 1.00 0.00 C ATOM 0 H ILE A 16 -4.290 -4.871 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.181 -3.348 -9.547 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.333 -3.076 -6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.567 -0.687 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.797 -1.536 -8.966 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.223 -1.824 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.944 -3.540 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.763 -2.305 -8.022 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.806 0.088 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.269 -1.569 -6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.020 -0.707 -6.054 1.00 0.00 H new ATOM 241 N GLU A 17 -1.141 -4.715 -9.884 1.00 0.00 N ATOM 242 CA GLU A 17 0.068 -5.497 -10.105 1.00 0.00 C ATOM 243 C GLU A 17 1.288 -4.586 -10.215 1.00 0.00 C ATOM 244 O GLU A 17 1.396 -3.780 -11.141 1.00 0.00 O ATOM 245 CB GLU A 17 -0.080 -6.375 -11.357 1.00 0.00 C ATOM 246 CG GLU A 17 0.289 -5.683 -12.664 1.00 0.00 C ATOM 247 CD GLU A 17 0.132 -6.590 -13.870 1.00 0.00 C ATOM 248 OE1 GLU A 17 0.926 -7.545 -14.002 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.784 -6.344 -14.682 1.00 0.00 O ATOM 0 H GLU A 17 -1.465 -4.195 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 17 0.216 -6.153 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.546 -7.260 -11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.112 -6.721 -11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.338 -4.801 -12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.320 -5.335 -12.608 1.00 0.00 H new ATOM 256 N VAL A 18 2.200 -4.710 -9.258 1.00 0.00 N ATOM 257 CA VAL A 18 3.409 -3.893 -9.246 1.00 0.00 C ATOM 258 C VAL A 18 4.560 -4.635 -8.575 1.00 0.00 C ATOM 259 O VAL A 18 4.376 -5.277 -7.540 1.00 0.00 O ATOM 260 CB VAL A 18 3.179 -2.554 -8.518 1.00 0.00 C ATOM 261 CG1 VAL A 18 4.354 -1.615 -8.740 1.00 0.00 C ATOM 262 CG2 VAL A 18 1.881 -1.909 -8.980 1.00 0.00 C ATOM 0 H VAL A 18 2.126 -5.367 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 18 3.665 -3.689 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 18 3.099 -2.754 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.173 -0.675 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.264 -2.074 -8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.469 -1.421 -9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.737 -0.965 -8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.929 -1.723 -10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.046 -2.576 -8.764 1.00 0.00 H new ATOM 272 N ASP A 19 5.748 -4.549 -9.168 1.00 0.00 N ATOM 273 CA ASP A 19 6.921 -5.221 -8.618 1.00 0.00 C ATOM 274 C ASP A 19 8.201 -4.454 -8.938 1.00 0.00 C ATOM 275 O ASP A 19 8.479 -4.145 -10.096 1.00 0.00 O ATOM 276 CB ASP A 19 7.019 -6.647 -9.163 1.00 0.00 C ATOM 277 CG ASP A 19 5.703 -7.394 -9.064 1.00 0.00 C ATOM 278 OD1 ASP A 19 4.784 -7.083 -9.851 1.00 0.00 O ATOM 279 OD2 ASP A 19 5.591 -8.289 -8.200 1.00 0.00 O ATOM 0 H ASP A 19 5.923 -4.024 -10.025 1.00 0.00 H new ATOM 0 HA ASP A 19 6.807 -5.256 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.338 -6.614 -10.205 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.786 -7.192 -8.612 1.00 0.00 H new ATOM 284 N LEU A 20 8.975 -4.159 -7.897 1.00 0.00 N ATOM 285 CA LEU A 20 10.236 -3.436 -8.041 1.00 0.00 C ATOM 286 C LEU A 20 10.012 -2.001 -8.504 1.00 0.00 C ATOM 287 O LEU A 20 10.286 -1.057 -7.761 1.00 0.00 O ATOM 288 CB LEU A 20 11.171 -4.161 -9.016 1.00 0.00 C ATOM 289 CG LEU A 20 12.481 -3.431 -9.349 1.00 0.00 C ATOM 290 CD1 LEU A 20 12.351 -2.657 -10.653 1.00 0.00 C ATOM 291 CD2 LEU A 20 12.902 -2.505 -8.215 1.00 0.00 C ATOM 0 H LEU A 20 8.748 -4.412 -6.935 1.00 0.00 H new ATOM 0 HA LEU A 20 10.704 -3.405 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.417 -5.137 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.630 -4.340 -9.945 1.00 0.00 H new ATOM 0 HG LEU A 20 13.259 -4.185 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.290 -2.148 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 20 12.117 -3.347 -11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.552 -1.921 -10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.832 -2.003 -8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.124 -1.761 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.051 -3.088 -7.306 1.00 0.00 H new ATOM 303 N LEU A 21 9.530 -1.847 -9.739 1.00 0.00 N ATOM 304 CA LEU A 21 9.275 -0.530 -10.324 1.00 0.00 C ATOM 305 C LEU A 21 10.400 0.452 -10.000 1.00 0.00 C ATOM 306 O LEU A 21 10.258 1.309 -9.128 1.00 0.00 O ATOM 307 CB LEU A 21 7.934 0.020 -9.833 1.00 0.00 C ATOM 308 CG LEU A 21 6.963 0.440 -10.938 1.00 0.00 C ATOM 309 CD1 LEU A 21 7.615 1.457 -11.860 1.00 0.00 C ATOM 310 CD2 LEU A 21 6.496 -0.774 -11.727 1.00 0.00 C ATOM 0 H LEU A 21 9.307 -2.626 -10.358 1.00 0.00 H new ATOM 0 HA LEU A 21 9.235 -0.649 -11.407 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.452 -0.738 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.124 0.880 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 21 6.092 0.904 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.910 1.745 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.901 2.338 -11.286 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.502 1.018 -12.316 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.806 -0.456 -12.509 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.356 -1.266 -12.180 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.991 -1.470 -11.058 1.00 0.00 H new ATOM 322 N LYS A 22 11.517 0.318 -10.708 1.00 0.00 N ATOM 323 CA LYS A 22 12.667 1.190 -10.498 1.00 0.00 C ATOM 324 C LYS A 22 13.817 0.806 -11.423 1.00 0.00 C ATOM 325 O LYS A 22 14.607 -0.085 -11.047 1.00 0.00 O ATOM 326 CB LYS A 22 13.129 1.123 -9.039 1.00 0.00 C ATOM 327 CG LYS A 22 13.629 2.454 -8.498 1.00 0.00 C ATOM 328 CD LYS A 22 12.515 3.488 -8.433 1.00 0.00 C ATOM 329 CE LYS A 22 12.780 4.657 -9.369 1.00 0.00 C ATOM 330 NZ LYS A 22 12.078 4.497 -10.672 1.00 0.00 N ATOM 331 OXT LYS A 22 13.917 1.399 -12.518 1.00 0.00 O ATOM 0 H LYS A 22 11.650 -0.387 -11.433 1.00 0.00 H new ATOM 0 HA LYS A 22 12.362 2.211 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.302 0.776 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.924 0.383 -8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.049 2.308 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.434 2.825 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.567 3.019 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.417 3.854 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.456 5.583 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.852 4.746 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.785 5.430 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.719 4.052 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.239 3.896 -10.543 1.00 0.00 H new TER 345 LYS A 22 ATOM 346 N SER B 23 14.555 9.934 2.188 1.00 0.00 N ATOM 347 CA SER B 23 13.451 9.814 1.199 1.00 0.00 C ATOM 348 C SER B 23 13.814 8.842 0.081 1.00 0.00 C ATOM 349 O SER B 23 14.853 8.982 -0.563 1.00 0.00 O ATOM 350 CB SER B 23 13.165 11.200 0.620 1.00 0.00 C ATOM 351 OG SER B 23 12.420 11.108 -0.582 1.00 0.00 O ATOM 0 HA SER B 23 12.564 9.423 1.698 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.614 11.795 1.348 1.00 0.00 H new ATOM 0 HB3 SER B 23 14.105 11.719 0.430 1.00 0.00 H new ATOM 0 HG SER B 23 12.249 12.008 -0.931 1.00 0.00 H new ATOM 359 N ASN B 24 12.950 7.857 -0.146 1.00 0.00 N ATOM 360 CA ASN B 24 13.181 6.863 -1.187 1.00 0.00 C ATOM 361 C ASN B 24 11.898 6.102 -1.512 1.00 0.00 C ATOM 362 O ASN B 24 11.577 5.881 -2.680 1.00 0.00 O ATOM 363 CB ASN B 24 14.274 5.884 -0.754 1.00 0.00 C ATOM 364 CG ASN B 24 15.008 5.274 -1.932 1.00 0.00 C ATOM 365 OD1 ASN B 24 16.178 5.572 -2.172 1.00 0.00 O ATOM 366 ND2 ASN B 24 14.321 4.414 -2.675 1.00 0.00 N ATOM 0 H ASN B 24 12.084 7.727 0.377 1.00 0.00 H new ATOM 0 HA ASN B 24 13.507 7.386 -2.086 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.988 6.402 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN B 24 13.829 5.089 -0.156 1.00 0.00 H new ATOM 0 HD21 ASN B 24 14.762 3.971 -3.481 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.353 4.196 -2.439 1.00 0.00 H new ATOM 373 N PHE B 25 11.171 5.701 -0.472 1.00 0.00 N ATOM 374 CA PHE B 25 9.925 4.964 -0.657 1.00 0.00 C ATOM 375 C PHE B 25 8.712 5.861 -0.424 1.00 0.00 C ATOM 376 O PHE B 25 8.560 6.457 0.644 1.00 0.00 O ATOM 377 CB PHE B 25 9.872 3.758 0.287 1.00 0.00 C ATOM 378 CG PHE B 25 8.518 3.106 0.352 1.00 0.00 C ATOM 379 CD1 PHE B 25 8.122 2.200 -0.618 1.00 0.00 C ATOM 380 CD2 PHE B 25 7.642 3.408 1.382 1.00 0.00 C ATOM 381 CE1 PHE B 25 6.876 1.604 -0.561 1.00 0.00 C ATOM 382 CE2 PHE B 25 6.394 2.815 1.444 1.00 0.00 C ATOM 383 CZ PHE B 25 6.012 1.912 0.471 1.00 0.00 C ATOM 0 H PHE B 25 11.422 5.873 0.502 1.00 0.00 H new ATOM 0 HA PHE B 25 9.897 4.612 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE B 25 10.606 3.021 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE B 25 10.161 4.077 1.288 1.00 0.00 H new ATOM 0 HD1 PHE B 25 8.794 1.957 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE B 25 7.937 4.114 2.144 1.00 0.00 H new ATOM 0 HE1 PHE B 25 6.579 0.898 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE B 25 5.719 3.058 2.252 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.038 1.447 0.517 1.00 0.00 H new ATOM 393 N LEU B 26 7.848 5.942 -1.432 1.00 0.00 N ATOM 394 CA LEU B 26 6.640 6.753 -1.349 1.00 0.00 C ATOM 395 C LEU B 26 5.402 5.907 -1.637 1.00 0.00 C ATOM 396 O LEU B 26 5.289 5.296 -2.699 1.00 0.00 O ATOM 397 CB LEU B 26 6.716 7.921 -2.334 1.00 0.00 C ATOM 398 CG LEU B 26 7.694 9.031 -1.947 1.00 0.00 C ATOM 399 CD1 LEU B 26 9.112 8.487 -1.861 1.00 0.00 C ATOM 400 CD2 LEU B 26 7.619 10.178 -2.944 1.00 0.00 C ATOM 0 H LEU B 26 7.964 5.453 -2.319 1.00 0.00 H new ATOM 0 HA LEU B 26 6.563 7.148 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU B 26 6.999 7.533 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.721 8.354 -2.438 1.00 0.00 H new ATOM 0 HG LEU B 26 7.413 9.411 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU B 26 9.794 9.291 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU B 26 9.155 7.700 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU B 26 9.405 8.080 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU B 26 8.321 10.959 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU B 26 7.874 9.813 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.608 10.585 -2.955 1.00 0.00 H new ATOM 412 N ASN B 27 4.477 5.874 -0.683 1.00 0.00 N ATOM 413 CA ASN B 27 3.247 5.100 -0.834 1.00 0.00 C ATOM 414 C ASN B 27 2.027 5.979 -0.578 1.00 0.00 C ATOM 415 O ASN B 27 1.824 6.466 0.536 1.00 0.00 O ATOM 416 CB ASN B 27 3.257 3.910 0.130 1.00 0.00 C ATOM 417 CG ASN B 27 2.007 3.056 0.032 1.00 0.00 C ATOM 418 OD1 ASN B 27 2.043 1.946 -0.498 1.00 0.00 O ATOM 419 ND2 ASN B 27 0.896 3.564 0.555 1.00 0.00 N ATOM 0 H ASN B 27 4.554 6.374 0.203 1.00 0.00 H new ATOM 0 HA ASN B 27 3.192 4.726 -1.857 1.00 0.00 H new ATOM 0 HB2 ASN B 27 4.130 3.291 -0.075 1.00 0.00 H new ATOM 0 HB3 ASN B 27 3.360 4.278 1.151 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.028 3.029 0.526 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.911 4.489 0.985 1.00 0.00 H new ATOM 426 N CYS B 28 1.219 6.184 -1.615 1.00 0.00 N ATOM 427 CA CYS B 28 0.022 7.012 -1.496 1.00 0.00 C ATOM 428 C CYS B 28 -1.244 6.197 -1.742 1.00 0.00 C ATOM 429 O CYS B 28 -1.595 5.908 -2.887 1.00 0.00 O ATOM 430 CB CYS B 28 0.086 8.179 -2.483 1.00 0.00 C ATOM 431 SG CYS B 28 -0.818 9.650 -1.945 1.00 0.00 S ATOM 0 H CYS B 28 1.370 5.790 -2.544 1.00 0.00 H new ATOM 0 HA CYS B 28 -0.014 7.400 -0.478 1.00 0.00 H new ATOM 0 HB2 CYS B 28 1.130 8.446 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.313 7.851 -3.443 1.00 0.00 H new ATOM 0 HG CYS B 28 -0.703 10.583 -2.843 1.00 0.00 H new ATOM 437 N TYR B 29 -1.932 5.839 -0.661 1.00 0.00 N ATOM 438 CA TYR B 29 -3.166 5.067 -0.757 1.00 0.00 C ATOM 439 C TYR B 29 -4.301 5.777 -0.022 1.00 0.00 C ATOM 440 O TYR B 29 -4.529 5.542 1.164 1.00 0.00 O ATOM 441 CB TYR B 29 -2.963 3.660 -0.183 1.00 0.00 C ATOM 442 CG TYR B 29 -4.244 2.863 -0.036 1.00 0.00 C ATOM 443 CD1 TYR B 29 -5.303 3.038 -0.920 1.00 0.00 C ATOM 444 CD2 TYR B 29 -4.393 1.935 0.988 1.00 0.00 C ATOM 445 CE1 TYR B 29 -6.472 2.313 -0.787 1.00 0.00 C ATOM 446 CE2 TYR B 29 -5.559 1.205 1.126 1.00 0.00 C ATOM 447 CZ TYR B 29 -6.595 1.399 0.237 1.00 0.00 C ATOM 448 OH TYR B 29 -7.757 0.675 0.372 1.00 0.00 O ATOM 0 H TYR B 29 -1.655 6.072 0.293 1.00 0.00 H new ATOM 0 HA TYR B 29 -3.435 4.980 -1.810 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -2.278 3.111 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -2.485 3.742 0.793 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -5.210 3.753 -1.724 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -3.585 1.782 1.687 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.285 2.462 -1.482 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -5.658 0.486 1.926 1.00 0.00 H new ATOM 0 HH TYR B 29 -7.606 -0.075 0.984 1.00 0.00 H new ATOM 458 N VAL B 30 -5.009 6.649 -0.733 1.00 0.00 N ATOM 459 CA VAL B 30 -6.116 7.392 -0.146 1.00 0.00 C ATOM 460 C VAL B 30 -7.458 6.814 -0.581 1.00 0.00 C ATOM 461 O VAL B 30 -7.680 6.555 -1.765 1.00 0.00 O ATOM 462 CB VAL B 30 -6.061 8.881 -0.535 1.00 0.00 C ATOM 463 CG1 VAL B 30 -7.098 9.677 0.245 1.00 0.00 C ATOM 464 CG2 VAL B 30 -4.667 9.442 -0.305 1.00 0.00 C ATOM 0 H VAL B 30 -4.835 6.858 -1.716 1.00 0.00 H new ATOM 0 HA VAL B 30 -6.019 7.303 0.936 1.00 0.00 H new ATOM 0 HB VAL B 30 -6.293 8.968 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -7.044 10.727 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -8.094 9.291 0.025 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -6.900 9.584 1.313 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -4.648 10.495 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -4.404 9.342 0.748 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -3.949 8.892 -0.912 1.00 0.00 H new ATOM 474 N SER B 31 -8.351 6.616 0.389 1.00 0.00 N ATOM 475 CA SER B 31 -9.679 6.070 0.120 1.00 0.00 C ATOM 476 C SER B 31 -9.592 4.633 -0.383 1.00 0.00 C ATOM 477 O SER B 31 -8.601 4.238 -0.998 1.00 0.00 O ATOM 478 CB SER B 31 -10.420 6.938 -0.901 1.00 0.00 C ATOM 479 OG SER B 31 -11.590 6.290 -1.369 1.00 0.00 O ATOM 0 H SER B 31 -8.176 6.827 1.372 1.00 0.00 H new ATOM 0 HA SER B 31 -10.235 6.072 1.057 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.686 7.892 -0.446 1.00 0.00 H new ATOM 0 HB3 SER B 31 -9.762 7.158 -1.741 1.00 0.00 H new ATOM 0 HG SER B 31 -12.045 6.866 -2.018 1.00 0.00 H new ATOM 485 N GLY B 32 -10.638 3.855 -0.116 1.00 0.00 N ATOM 486 CA GLY B 32 -10.663 2.469 -0.545 1.00 0.00 C ATOM 487 C GLY B 32 -11.293 2.296 -1.913 1.00 0.00 C ATOM 488 O GLY B 32 -11.055 3.095 -2.818 1.00 0.00 O ATOM 0 H GLY B 32 -11.469 4.161 0.390 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -9.645 2.080 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -11.216 1.876 0.184 1.00 0.00 H new ATOM 492 N PHE B 33 -12.098 1.247 -2.065 1.00 0.00 N ATOM 493 CA PHE B 33 -12.764 0.971 -3.335 1.00 0.00 C ATOM 494 C PHE B 33 -13.638 -0.287 -3.240 1.00 0.00 C ATOM 495 O PHE B 33 -14.704 -0.256 -2.625 1.00 0.00 O ATOM 496 CB PHE B 33 -11.732 0.838 -4.468 1.00 0.00 C ATOM 497 CG PHE B 33 -10.471 0.101 -4.087 1.00 0.00 C ATOM 498 CD1 PHE B 33 -10.430 -0.733 -2.977 1.00 0.00 C ATOM 499 CD2 PHE B 33 -9.323 0.246 -4.848 1.00 0.00 C ATOM 500 CE1 PHE B 33 -9.270 -1.403 -2.639 1.00 0.00 C ATOM 501 CE2 PHE B 33 -8.161 -0.422 -4.513 1.00 0.00 C ATOM 502 CZ PHE B 33 -8.134 -1.247 -3.407 1.00 0.00 C ATOM 0 H PHE B 33 -12.305 0.575 -1.326 1.00 0.00 H new ATOM 0 HA PHE B 33 -13.418 1.812 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -12.198 0.323 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -11.463 1.836 -4.816 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -11.315 -0.859 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -9.336 0.890 -5.715 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -9.252 -2.049 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -7.274 -0.299 -5.117 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.226 -1.769 -3.143 1.00 0.00 H new ATOM 512 N HIS B 34 -13.196 -1.388 -3.851 1.00 0.00 N ATOM 513 CA HIS B 34 -13.954 -2.635 -3.828 1.00 0.00 C ATOM 514 C HIS B 34 -13.107 -3.768 -3.251 1.00 0.00 C ATOM 515 O HIS B 34 -11.972 -3.549 -2.830 1.00 0.00 O ATOM 516 CB HIS B 34 -14.429 -3.000 -5.242 1.00 0.00 C ATOM 517 CG HIS B 34 -14.281 -1.894 -6.243 1.00 0.00 C ATOM 518 ND1 HIS B 34 -13.619 -2.048 -7.441 1.00 0.00 N ATOM 519 CD2 HIS B 34 -14.711 -0.611 -6.214 1.00 0.00 C ATOM 520 CE1 HIS B 34 -13.647 -0.907 -8.108 1.00 0.00 C ATOM 521 NE2 HIS B 34 -14.303 -0.018 -7.384 1.00 0.00 N ATOM 0 H HIS B 34 -12.317 -1.439 -4.367 1.00 0.00 H new ATOM 0 HA HIS B 34 -14.826 -2.492 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -13.868 -3.867 -5.589 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -15.477 -3.296 -5.196 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -15.271 -0.141 -5.419 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -13.208 -0.732 -9.079 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -14.478 0.951 -7.650 1.00 0.00 H new ATOM 530 N PRO B 35 -13.645 -5.003 -3.226 1.00 0.00 N ATOM 531 CA PRO B 35 -12.928 -6.171 -2.696 1.00 0.00 C ATOM 532 C PRO B 35 -11.677 -6.525 -3.504 1.00 0.00 C ATOM 533 O PRO B 35 -10.967 -7.474 -3.167 1.00 0.00 O ATOM 534 CB PRO B 35 -13.959 -7.307 -2.790 1.00 0.00 C ATOM 535 CG PRO B 35 -15.276 -6.630 -2.956 1.00 0.00 C ATOM 536 CD PRO B 35 -14.992 -5.361 -3.700 1.00 0.00 C ATOM 0 HA PRO B 35 -12.565 -5.984 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO B 35 -13.745 -7.963 -3.633 1.00 0.00 H new ATOM 0 HB3 PRO B 35 -13.945 -7.926 -1.893 1.00 0.00 H new ATOM 0 HG2 PRO B 35 -15.972 -7.260 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO B 35 -15.733 -6.422 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO B 35 -15.015 -5.511 -4.779 1.00 0.00 H new ATOM 0 HD3 PRO B 35 -15.722 -4.585 -3.470 1.00 0.00 H new ATOM 544 N SER B 36 -11.409 -5.765 -4.570 1.00 0.00 N ATOM 545 CA SER B 36 -10.242 -6.005 -5.421 1.00 0.00 C ATOM 546 C SER B 36 -9.003 -6.331 -4.590 1.00 0.00 C ATOM 547 O SER B 36 -8.943 -6.029 -3.398 1.00 0.00 O ATOM 548 CB SER B 36 -9.970 -4.777 -6.299 1.00 0.00 C ATOM 549 OG SER B 36 -8.633 -4.770 -6.772 1.00 0.00 O ATOM 0 H SER B 36 -11.986 -4.977 -4.864 1.00 0.00 H new ATOM 0 HA SER B 36 -10.461 -6.865 -6.054 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.658 -4.772 -7.145 1.00 0.00 H new ATOM 0 HB3 SER B 36 -10.161 -3.869 -5.728 1.00 0.00 H new ATOM 0 HG SER B 36 -8.596 -4.322 -7.643 1.00 0.00 H new ATOM 555 N ASP B 37 -8.019 -6.952 -5.228 1.00 0.00 N ATOM 556 CA ASP B 37 -6.784 -7.320 -4.548 1.00 0.00 C ATOM 557 C ASP B 37 -5.661 -6.355 -4.910 1.00 0.00 C ATOM 558 O ASP B 37 -5.575 -5.886 -6.044 1.00 0.00 O ATOM 559 CB ASP B 37 -6.386 -8.752 -4.908 1.00 0.00 C ATOM 560 CG ASP B 37 -5.405 -9.347 -3.917 1.00 0.00 C ATOM 561 OD1 ASP B 37 -4.321 -8.756 -3.726 1.00 0.00 O ATOM 562 OD2 ASP B 37 -5.722 -10.403 -3.331 1.00 0.00 O ATOM 0 H ASP B 37 -8.052 -7.211 -6.214 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.955 -7.262 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -7.280 -9.375 -4.949 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -5.944 -8.764 -5.904 1.00 0.00 H new ATOM 567 N ILE B 38 -4.802 -6.058 -3.941 1.00 0.00 N ATOM 568 CA ILE B 38 -3.689 -5.144 -4.167 1.00 0.00 C ATOM 569 C ILE B 38 -2.351 -5.836 -3.934 1.00 0.00 C ATOM 570 O ILE B 38 -2.096 -6.370 -2.855 1.00 0.00 O ATOM 571 CB ILE B 38 -3.780 -3.906 -3.254 1.00 0.00 C ATOM 572 CG1 ILE B 38 -5.192 -3.316 -3.294 1.00 0.00 C ATOM 573 CG2 ILE B 38 -2.753 -2.864 -3.671 1.00 0.00 C ATOM 574 CD1 ILE B 38 -5.648 -2.928 -4.684 1.00 0.00 C ATOM 0 H ILE B 38 -4.855 -6.435 -2.995 1.00 0.00 H new ATOM 0 HA ILE B 38 -3.753 -4.823 -5.207 1.00 0.00 H new ATOM 0 HB ILE B 38 -3.564 -4.212 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -5.892 -4.042 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -5.228 -2.437 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.830 -1.995 -3.017 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.752 -3.289 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -2.940 -2.560 -4.701 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -6.657 -2.518 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -4.971 -2.178 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -5.645 -3.808 -5.327 1.00 0.00 H new ATOM 586 N GLU B 39 -1.499 -5.820 -4.956 1.00 0.00 N ATOM 587 CA GLU B 39 -0.185 -6.444 -4.866 1.00 0.00 C ATOM 588 C GLU B 39 0.918 -5.434 -5.169 1.00 0.00 C ATOM 589 O GLU B 39 1.359 -5.301 -6.313 1.00 0.00 O ATOM 590 CB GLU B 39 -0.092 -7.627 -5.831 1.00 0.00 C ATOM 591 CG GLU B 39 1.051 -8.578 -5.516 1.00 0.00 C ATOM 592 CD GLU B 39 1.159 -9.713 -6.514 1.00 0.00 C ATOM 593 OE1 GLU B 39 1.492 -9.442 -7.687 1.00 0.00 O ATOM 594 OE2 GLU B 39 0.910 -10.873 -6.123 1.00 0.00 O ATOM 0 H GLU B 39 -1.697 -5.381 -5.855 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.050 -6.806 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.031 -8.180 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.030 -7.249 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.988 -8.021 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.910 -8.990 -4.517 1.00 0.00 H new ATOM 601 N VAL B 40 1.356 -4.722 -4.134 1.00 0.00 N ATOM 602 CA VAL B 40 2.405 -3.719 -4.280 1.00 0.00 C ATOM 603 C VAL B 40 3.754 -4.265 -3.828 1.00 0.00 C ATOM 604 O VAL B 40 3.932 -4.631 -2.666 1.00 0.00 O ATOM 605 CB VAL B 40 2.083 -2.447 -3.471 1.00 0.00 C ATOM 606 CG1 VAL B 40 3.158 -1.389 -3.682 1.00 0.00 C ATOM 607 CG2 VAL B 40 0.712 -1.906 -3.849 1.00 0.00 C ATOM 0 H VAL B 40 0.999 -4.822 -3.184 1.00 0.00 H new ATOM 0 HA VAL B 40 2.454 -3.465 -5.339 1.00 0.00 H new ATOM 0 HB VAL B 40 2.067 -2.708 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL B 40 2.912 -0.499 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL B 40 4.122 -1.779 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL B 40 3.211 -1.130 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL B 40 0.502 -1.008 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL B 40 0.697 -1.662 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.047 -2.660 -3.639 1.00 0.00 H new ATOM 617 N ASP B 41 4.707 -4.304 -4.752 1.00 0.00 N ATOM 618 CA ASP B 41 6.046 -4.791 -4.451 1.00 0.00 C ATOM 619 C ASP B 41 7.093 -3.815 -4.974 1.00 0.00 C ATOM 620 O ASP B 41 7.118 -3.497 -6.162 1.00 0.00 O ATOM 621 CB ASP B 41 6.264 -6.179 -5.058 1.00 0.00 C ATOM 622 CG ASP B 41 6.579 -7.226 -4.007 1.00 0.00 C ATOM 623 OD1 ASP B 41 7.622 -7.093 -3.332 1.00 0.00 O ATOM 624 OD2 ASP B 41 5.783 -8.177 -3.858 1.00 0.00 O ATOM 0 H ASP B 41 4.576 -4.003 -5.718 1.00 0.00 H new ATOM 0 HA ASP B 41 6.149 -4.869 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP B 41 5.371 -6.477 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP B 41 7.081 -6.134 -5.778 1.00 0.00 H new ATOM 629 N LEU B 42 7.947 -3.334 -4.077 1.00 0.00 N ATOM 630 CA LEU B 42 8.986 -2.380 -4.450 1.00 0.00 C ATOM 631 C LEU B 42 10.373 -2.934 -4.146 1.00 0.00 C ATOM 632 O LEU B 42 10.563 -3.656 -3.168 1.00 0.00 O ATOM 633 CB LEU B 42 8.786 -1.056 -3.705 1.00 0.00 C ATOM 634 CG LEU B 42 7.339 -0.719 -3.328 1.00 0.00 C ATOM 635 CD1 LEU B 42 6.407 -0.899 -4.520 1.00 0.00 C ATOM 636 CD2 LEU B 42 6.881 -1.576 -2.155 1.00 0.00 C ATOM 0 H LEU B 42 7.941 -3.588 -3.089 1.00 0.00 H new ATOM 0 HA LEU B 42 8.909 -2.205 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU B 42 9.384 -1.079 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU B 42 9.179 -0.249 -4.324 1.00 0.00 H new ATOM 0 HG LEU B 42 7.302 0.328 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU B 42 5.387 -0.653 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU B 42 6.720 -0.239 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU B 42 6.447 -1.934 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.852 -1.324 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU B 42 6.939 -2.629 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU B 42 7.524 -1.389 -1.295 1.00 0.00 H new ATOM 648 N LEU B 43 11.343 -2.586 -4.988 1.00 0.00 N ATOM 649 CA LEU B 43 12.714 -3.048 -4.798 1.00 0.00 C ATOM 650 C LEU B 43 12.784 -4.574 -4.746 1.00 0.00 C ATOM 651 O LEU B 43 13.735 -5.142 -4.208 1.00 0.00 O ATOM 652 CB LEU B 43 13.295 -2.458 -3.511 1.00 0.00 C ATOM 653 CG LEU B 43 14.757 -2.018 -3.601 1.00 0.00 C ATOM 654 CD1 LEU B 43 15.627 -3.157 -4.108 1.00 0.00 C ATOM 655 CD2 LEU B 43 14.891 -0.801 -4.505 1.00 0.00 C ATOM 0 H LEU B 43 11.206 -1.989 -5.804 1.00 0.00 H new ATOM 0 HA LEU B 43 13.303 -2.709 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.691 -1.599 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU B 43 13.203 -3.198 -2.716 1.00 0.00 H new ATOM 0 HG LEU B 43 15.097 -1.745 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU B 43 16.664 -2.825 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU B 43 15.554 -4.003 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU B 43 15.288 -3.461 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU B 43 15.937 -0.501 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU B 43 14.533 -1.049 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU B 43 14.298 0.020 -4.101 1.00 0.00 H new ATOM 667 N LYS B 44 11.774 -5.235 -5.306 1.00 0.00 N ATOM 668 CA LYS B 44 11.730 -6.694 -5.321 1.00 0.00 C ATOM 669 C LYS B 44 11.284 -7.211 -6.684 1.00 0.00 C ATOM 670 O LYS B 44 10.081 -7.085 -6.999 1.00 0.00 O ATOM 671 CB LYS B 44 10.783 -7.210 -4.235 1.00 0.00 C ATOM 672 CG LYS B 44 11.191 -8.561 -3.668 1.00 0.00 C ATOM 673 CD LYS B 44 10.013 -9.274 -3.025 1.00 0.00 C ATOM 674 CE LYS B 44 10.462 -10.501 -2.246 1.00 0.00 C ATOM 675 NZ LYS B 44 9.323 -11.174 -1.562 1.00 0.00 N ATOM 676 OXT LYS B 44 12.140 -7.739 -7.425 1.00 0.00 O ATOM 0 H LYS B 44 10.977 -4.784 -5.755 1.00 0.00 H new ATOM 0 HA LYS B 44 12.736 -7.063 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS B 44 10.741 -6.482 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS B 44 9.777 -7.286 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS B 44 11.603 -9.181 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS B 44 11.981 -8.423 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS B 44 9.492 -8.588 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS B 44 9.301 -9.571 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS B 44 10.945 -11.205 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS B 44 11.208 -10.208 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 9.672 -12.005 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 8.878 -10.511 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 8.623 -11.477 -2.269 1.00 0.00 H new TER 690 LYS B 44 ATOM 691 N SER C 45 17.060 5.267 3.275 1.00 0.00 N ATOM 692 CA SER C 45 15.989 5.108 2.256 1.00 0.00 C ATOM 693 C SER C 45 14.700 5.795 2.698 1.00 0.00 C ATOM 694 O SER C 45 14.013 6.425 1.894 1.00 0.00 O ATOM 695 CB SER C 45 15.743 3.614 2.038 1.00 0.00 C ATOM 696 OG SER C 45 15.644 2.929 3.275 1.00 0.00 O ATOM 0 HA SER C 45 16.308 5.577 1.325 1.00 0.00 H new ATOM 0 HB2 SER C 45 14.826 3.473 1.466 1.00 0.00 H new ATOM 0 HB3 SER C 45 16.556 3.190 1.448 1.00 0.00 H new ATOM 0 HG SER C 45 16.112 3.438 3.969 1.00 0.00 H new ATOM 704 N ASN C 46 14.380 5.672 3.981 1.00 0.00 N ATOM 705 CA ASN C 46 13.174 6.283 4.531 1.00 0.00 C ATOM 706 C ASN C 46 11.920 5.642 3.944 1.00 0.00 C ATOM 707 O ASN C 46 11.713 5.652 2.729 1.00 0.00 O ATOM 708 CB ASN C 46 13.168 7.790 4.261 1.00 0.00 C ATOM 709 CG ASN C 46 12.713 8.590 5.465 1.00 0.00 C ATOM 710 OD1 ASN C 46 13.277 9.639 5.778 1.00 0.00 O ATOM 711 ND2 ASN C 46 11.685 8.098 6.149 1.00 0.00 N ATOM 0 H ASN C 46 14.938 5.155 4.660 1.00 0.00 H new ATOM 0 HA ASN C 46 13.173 6.116 5.608 1.00 0.00 H new ATOM 0 HB2 ASN C 46 14.170 8.109 3.974 1.00 0.00 H new ATOM 0 HB3 ASN C 46 12.511 8.003 3.417 1.00 0.00 H new ATOM 0 HD21 ASN C 46 11.334 8.593 6.969 1.00 0.00 H new ATOM 0 HD22 ASN C 46 11.247 7.225 5.854 1.00 0.00 H new ATOM 718 N PHE C 47 11.087 5.083 4.816 1.00 0.00 N ATOM 719 CA PHE C 47 9.852 4.434 4.392 1.00 0.00 C ATOM 720 C PHE C 47 8.638 5.274 4.789 1.00 0.00 C ATOM 721 O PHE C 47 8.236 5.292 5.954 1.00 0.00 O ATOM 722 CB PHE C 47 9.765 3.027 5.004 1.00 0.00 C ATOM 723 CG PHE C 47 8.364 2.548 5.274 1.00 0.00 C ATOM 724 CD1 PHE C 47 7.592 2.014 4.258 1.00 0.00 C ATOM 725 CD2 PHE C 47 7.823 2.636 6.545 1.00 0.00 C ATOM 726 CE1 PHE C 47 6.303 1.576 4.504 1.00 0.00 C ATOM 727 CE2 PHE C 47 6.537 2.199 6.799 1.00 0.00 C ATOM 728 CZ PHE C 47 5.775 1.668 5.776 1.00 0.00 C ATOM 0 H PHE C 47 11.246 5.067 5.823 1.00 0.00 H new ATOM 0 HA PHE C 47 9.856 4.344 3.306 1.00 0.00 H new ATOM 0 HB2 PHE C 47 10.253 2.322 4.332 1.00 0.00 H new ATOM 0 HB3 PHE C 47 10.325 3.016 5.939 1.00 0.00 H new ATOM 0 HD1 PHE C 47 8.000 1.938 3.261 1.00 0.00 H new ATOM 0 HD2 PHE C 47 8.413 3.051 7.348 1.00 0.00 H new ATOM 0 HE1 PHE C 47 5.710 1.162 3.701 1.00 0.00 H new ATOM 0 HE2 PHE C 47 6.128 2.272 7.796 1.00 0.00 H new ATOM 0 HZ PHE C 47 4.769 1.326 5.971 1.00 0.00 H new ATOM 738 N LEU C 48 8.058 5.969 3.814 1.00 0.00 N ATOM 739 CA LEU C 48 6.890 6.808 4.064 1.00 0.00 C ATOM 740 C LEU C 48 5.629 6.171 3.485 1.00 0.00 C ATOM 741 O LEU C 48 5.462 6.099 2.267 1.00 0.00 O ATOM 742 CB LEU C 48 7.101 8.201 3.464 1.00 0.00 C ATOM 743 CG LEU C 48 7.300 9.322 4.486 1.00 0.00 C ATOM 744 CD1 LEU C 48 8.669 9.212 5.138 1.00 0.00 C ATOM 745 CD2 LEU C 48 7.131 10.682 3.826 1.00 0.00 C ATOM 0 H LEU C 48 8.377 5.968 2.845 1.00 0.00 H new ATOM 0 HA LEU C 48 6.762 6.902 5.142 1.00 0.00 H new ATOM 0 HB2 LEU C 48 7.971 8.169 2.808 1.00 0.00 H new ATOM 0 HB3 LEU C 48 6.241 8.446 2.841 1.00 0.00 H new ATOM 0 HG LEU C 48 6.541 9.219 5.261 1.00 0.00 H new ATOM 0 HD11 LEU C 48 8.793 10.017 5.862 1.00 0.00 H new ATOM 0 HD12 LEU C 48 8.754 8.251 5.646 1.00 0.00 H new ATOM 0 HD13 LEU C 48 9.443 9.288 4.374 1.00 0.00 H new ATOM 0 HD21 LEU C 48 7.276 11.467 4.568 1.00 0.00 H new ATOM 0 HD22 LEU C 48 7.867 10.794 3.030 1.00 0.00 H new ATOM 0 HD23 LEU C 48 6.128 10.761 3.406 1.00 0.00 H new ATOM 757 N ASN C 49 4.745 5.710 4.366 1.00 0.00 N ATOM 758 CA ASN C 49 3.501 5.078 3.938 1.00 0.00 C ATOM 759 C ASN C 49 2.289 5.807 4.512 1.00 0.00 C ATOM 760 O ASN C 49 1.900 5.580 5.658 1.00 0.00 O ATOM 761 CB ASN C 49 3.477 3.610 4.365 1.00 0.00 C ATOM 762 CG ASN C 49 2.253 2.877 3.849 1.00 0.00 C ATOM 763 OD1 ASN C 49 2.330 2.124 2.879 1.00 0.00 O ATOM 764 ND2 ASN C 49 1.114 3.096 4.497 1.00 0.00 N ATOM 0 H ASN C 49 4.867 5.762 5.377 1.00 0.00 H new ATOM 0 HA ASN C 49 3.452 5.135 2.851 1.00 0.00 H new ATOM 0 HB2 ASN C 49 4.376 3.113 3.999 1.00 0.00 H new ATOM 0 HB3 ASN C 49 3.501 3.551 5.453 1.00 0.00 H new ATOM 0 HD21 ASN C 49 0.258 2.631 4.195 1.00 0.00 H new ATOM 0 HD22 ASN C 49 1.096 3.729 5.297 1.00 0.00 H new ATOM 771 N CYS C 50 1.694 6.682 3.707 1.00 0.00 N ATOM 772 CA CYS C 50 0.523 7.441 4.132 1.00 0.00 C ATOM 773 C CYS C 50 -0.724 6.968 3.391 1.00 0.00 C ATOM 774 O CYS C 50 -0.810 7.077 2.167 1.00 0.00 O ATOM 775 CB CYS C 50 0.741 8.936 3.887 1.00 0.00 C ATOM 776 SG CYS C 50 2.351 9.547 4.439 1.00 0.00 S ATOM 0 H CYS C 50 2.004 6.883 2.756 1.00 0.00 H new ATOM 0 HA CYS C 50 0.377 7.274 5.199 1.00 0.00 H new ATOM 0 HB2 CYS C 50 0.633 9.138 2.821 1.00 0.00 H new ATOM 0 HB3 CYS C 50 -0.043 9.495 4.398 1.00 0.00 H new ATOM 0 HG CYS C 50 2.442 10.819 4.187 1.00 0.00 H new ATOM 782 N TYR C 51 -1.687 6.436 4.138 1.00 0.00 N ATOM 783 CA TYR C 51 -2.923 5.942 3.545 1.00 0.00 C ATOM 784 C TYR C 51 -4.133 6.303 4.404 1.00 0.00 C ATOM 785 O TYR C 51 -4.035 6.400 5.628 1.00 0.00 O ATOM 786 CB TYR C 51 -2.841 4.420 3.343 1.00 0.00 C ATOM 787 CG TYR C 51 -3.407 3.605 4.487 1.00 0.00 C ATOM 788 CD1 TYR C 51 -4.774 3.385 4.595 1.00 0.00 C ATOM 789 CD2 TYR C 51 -2.575 3.054 5.456 1.00 0.00 C ATOM 790 CE1 TYR C 51 -5.298 2.642 5.633 1.00 0.00 C ATOM 791 CE2 TYR C 51 -3.093 2.309 6.500 1.00 0.00 C ATOM 792 CZ TYR C 51 -4.454 2.107 6.583 1.00 0.00 C ATOM 793 OH TYR C 51 -4.973 1.368 7.617 1.00 0.00 O ATOM 0 H TYR C 51 -1.635 6.337 5.152 1.00 0.00 H new ATOM 0 HA TYR C 51 -3.049 6.422 2.575 1.00 0.00 H new ATOM 0 HB2 TYR C 51 -3.373 4.158 2.428 1.00 0.00 H new ATOM 0 HB3 TYR C 51 -1.798 4.141 3.196 1.00 0.00 H new ATOM 0 HD1 TYR C 51 -5.439 3.803 3.853 1.00 0.00 H new ATOM 0 HD2 TYR C 51 -1.508 3.210 5.392 1.00 0.00 H new ATOM 0 HE1 TYR C 51 -6.364 2.480 5.701 1.00 0.00 H new ATOM 0 HE2 TYR C 51 -2.435 1.888 7.246 1.00 0.00 H new ATOM 0 HH TYR C 51 -5.100 0.441 7.325 1.00 0.00 H new ATOM 803 N VAL C 52 -5.275 6.492 3.751 1.00 0.00 N ATOM 804 CA VAL C 52 -6.509 6.829 4.448 1.00 0.00 C ATOM 805 C VAL C 52 -7.537 5.716 4.286 1.00 0.00 C ATOM 806 O VAL C 52 -8.054 5.491 3.191 1.00 0.00 O ATOM 807 CB VAL C 52 -7.110 8.149 3.927 1.00 0.00 C ATOM 808 CG1 VAL C 52 -8.312 8.558 4.767 1.00 0.00 C ATOM 809 CG2 VAL C 52 -6.060 9.250 3.918 1.00 0.00 C ATOM 0 H VAL C 52 -5.371 6.417 2.738 1.00 0.00 H new ATOM 0 HA VAL C 52 -6.260 6.949 5.502 1.00 0.00 H new ATOM 0 HB VAL C 52 -7.447 7.992 2.902 1.00 0.00 H new ATOM 0 HG11 VAL C 52 -8.723 9.492 4.384 1.00 0.00 H new ATOM 0 HG12 VAL C 52 -9.073 7.779 4.717 1.00 0.00 H new ATOM 0 HG13 VAL C 52 -8.002 8.696 5.803 1.00 0.00 H new ATOM 0 HG21 VAL C 52 -6.504 10.174 3.547 1.00 0.00 H new ATOM 0 HG22 VAL C 52 -5.689 9.407 4.931 1.00 0.00 H new ATOM 0 HG23 VAL C 52 -5.233 8.959 3.270 1.00 0.00 H new ATOM 819 N SER C 53 -7.824 5.016 5.381 1.00 0.00 N ATOM 820 CA SER C 53 -8.784 3.917 5.359 1.00 0.00 C ATOM 821 C SER C 53 -10.117 4.354 4.760 1.00 0.00 C ATOM 822 O SER C 53 -10.296 5.515 4.393 1.00 0.00 O ATOM 823 CB SER C 53 -9.003 3.373 6.770 1.00 0.00 C ATOM 824 OG SER C 53 -7.768 3.122 7.418 1.00 0.00 O ATOM 0 H SER C 53 -7.405 5.191 6.294 1.00 0.00 H new ATOM 0 HA SER C 53 -8.370 3.129 4.730 1.00 0.00 H new ATOM 0 HB2 SER C 53 -9.584 4.088 7.353 1.00 0.00 H new ATOM 0 HB3 SER C 53 -9.585 2.453 6.722 1.00 0.00 H new ATOM 0 HG SER C 53 -7.442 3.948 7.832 1.00 0.00 H new ATOM 830 N GLY C 54 -11.049 3.411 4.667 1.00 0.00 N ATOM 831 CA GLY C 54 -12.356 3.706 4.111 1.00 0.00 C ATOM 832 C GLY C 54 -12.901 2.557 3.286 1.00 0.00 C ATOM 833 O GLY C 54 -13.367 2.755 2.164 1.00 0.00 O ATOM 0 H GLY C 54 -10.921 2.445 4.968 1.00 0.00 H new ATOM 0 HA2 GLY C 54 -13.051 3.931 4.920 1.00 0.00 H new ATOM 0 HA3 GLY C 54 -12.291 4.599 3.489 1.00 0.00 H new ATOM 837 N PHE C 55 -12.838 1.351 3.842 1.00 0.00 N ATOM 838 CA PHE C 55 -13.324 0.161 3.152 1.00 0.00 C ATOM 839 C PHE C 55 -13.211 -1.076 4.040 1.00 0.00 C ATOM 840 O PHE C 55 -12.250 -1.230 4.792 1.00 0.00 O ATOM 841 CB PHE C 55 -12.553 -0.052 1.842 1.00 0.00 C ATOM 842 CG PHE C 55 -11.111 -0.466 2.014 1.00 0.00 C ATOM 843 CD1 PHE C 55 -10.400 -0.145 3.163 1.00 0.00 C ATOM 844 CD2 PHE C 55 -10.464 -1.172 1.012 1.00 0.00 C ATOM 845 CE1 PHE C 55 -9.080 -0.524 3.307 1.00 0.00 C ATOM 846 CE2 PHE C 55 -9.141 -1.551 1.151 1.00 0.00 C ATOM 847 CZ PHE C 55 -8.449 -1.227 2.300 1.00 0.00 C ATOM 0 H PHE C 55 -12.454 1.172 4.770 1.00 0.00 H new ATOM 0 HA PHE C 55 -14.378 0.315 2.919 1.00 0.00 H new ATOM 0 HB2 PHE C 55 -13.067 -0.813 1.254 1.00 0.00 H new ATOM 0 HB3 PHE C 55 -12.584 0.872 1.264 1.00 0.00 H new ATOM 0 HD1 PHE C 55 -10.885 0.408 3.954 1.00 0.00 H new ATOM 0 HD2 PHE C 55 -11.000 -1.430 0.111 1.00 0.00 H new ATOM 0 HE1 PHE C 55 -8.541 -0.270 4.208 1.00 0.00 H new ATOM 0 HE2 PHE C 55 -8.650 -2.100 0.361 1.00 0.00 H new ATOM 0 HZ PHE C 55 -7.416 -1.523 2.411 1.00 0.00 H new ATOM 857 N HIS C 56 -14.208 -1.953 3.952 1.00 0.00 N ATOM 858 CA HIS C 56 -14.228 -3.174 4.749 1.00 0.00 C ATOM 859 C HIS C 56 -13.480 -4.308 4.046 1.00 0.00 C ATOM 860 O HIS C 56 -12.484 -4.815 4.562 1.00 0.00 O ATOM 861 CB HIS C 56 -15.672 -3.596 5.037 1.00 0.00 C ATOM 862 CG HIS C 56 -16.027 -3.569 6.491 1.00 0.00 C ATOM 863 ND1 HIS C 56 -15.321 -4.264 7.451 1.00 0.00 N ATOM 864 CD2 HIS C 56 -17.023 -2.930 7.149 1.00 0.00 C ATOM 865 CE1 HIS C 56 -15.868 -4.052 8.636 1.00 0.00 C ATOM 866 NE2 HIS C 56 -16.901 -3.247 8.480 1.00 0.00 N ATOM 0 H HIS C 56 -15.013 -1.839 3.336 1.00 0.00 H new ATOM 0 HA HIS C 56 -13.721 -2.967 5.692 1.00 0.00 H new ATOM 0 HB2 HIS C 56 -16.349 -2.937 4.494 1.00 0.00 H new ATOM 0 HB3 HIS C 56 -15.831 -4.603 4.652 1.00 0.00 H new ATOM 0 HD2 HIS C 56 -17.774 -2.290 6.709 1.00 0.00 H new ATOM 0 HE1 HIS C 56 -15.527 -4.468 9.573 1.00 0.00 H new ATOM 0 HE2 HIS C 56 -17.511 -2.914 9.227 1.00 0.00 H new ATOM 875 N PRO C 57 -13.953 -4.726 2.857 1.00 0.00 N ATOM 876 CA PRO C 57 -13.322 -5.808 2.094 1.00 0.00 C ATOM 877 C PRO C 57 -12.044 -5.359 1.392 1.00 0.00 C ATOM 878 O PRO C 57 -11.477 -4.318 1.721 1.00 0.00 O ATOM 879 CB PRO C 57 -14.396 -6.181 1.071 1.00 0.00 C ATOM 880 CG PRO C 57 -15.157 -4.921 0.851 1.00 0.00 C ATOM 881 CD PRO C 57 -15.140 -4.184 2.164 1.00 0.00 C ATOM 0 HA PRO C 57 -13.013 -6.635 2.733 1.00 0.00 H new ATOM 0 HB2 PRO C 57 -13.952 -6.543 0.144 1.00 0.00 H new ATOM 0 HB3 PRO C 57 -15.042 -6.974 1.446 1.00 0.00 H new ATOM 0 HG2 PRO C 57 -14.700 -4.323 0.063 1.00 0.00 H new ATOM 0 HG3 PRO C 57 -16.179 -5.133 0.537 1.00 0.00 H new ATOM 0 HD2 PRO C 57 -15.060 -3.107 2.017 1.00 0.00 H new ATOM 0 HD3 PRO C 57 -16.052 -4.361 2.734 1.00 0.00 H new ATOM 889 N SER C 58 -11.597 -6.156 0.420 1.00 0.00 N ATOM 890 CA SER C 58 -10.387 -5.855 -0.344 1.00 0.00 C ATOM 891 C SER C 58 -9.131 -6.251 0.427 1.00 0.00 C ATOM 892 O SER C 58 -9.167 -6.442 1.645 1.00 0.00 O ATOM 893 CB SER C 58 -10.328 -4.368 -0.707 1.00 0.00 C ATOM 894 OG SER C 58 -9.740 -4.177 -1.982 1.00 0.00 O ATOM 0 H SER C 58 -12.060 -7.021 0.142 1.00 0.00 H new ATOM 0 HA SER C 58 -10.427 -6.442 -1.262 1.00 0.00 H new ATOM 0 HB2 SER C 58 -11.334 -3.949 -0.701 1.00 0.00 H new ATOM 0 HB3 SER C 58 -9.753 -3.829 0.046 1.00 0.00 H new ATOM 0 HG SER C 58 -10.193 -3.441 -2.444 1.00 0.00 H new ATOM 900 N ASP C 59 -8.021 -6.374 -0.294 1.00 0.00 N ATOM 901 CA ASP C 59 -6.750 -6.750 0.315 1.00 0.00 C ATOM 902 C ASP C 59 -5.655 -5.750 -0.046 1.00 0.00 C ATOM 903 O ASP C 59 -5.451 -5.436 -1.219 1.00 0.00 O ATOM 904 CB ASP C 59 -6.341 -8.154 -0.136 1.00 0.00 C ATOM 905 CG ASP C 59 -7.435 -9.179 0.090 1.00 0.00 C ATOM 906 OD1 ASP C 59 -8.576 -8.938 -0.357 1.00 0.00 O ATOM 907 OD2 ASP C 59 -7.151 -10.224 0.713 1.00 0.00 O ATOM 0 H ASP C 59 -7.976 -6.219 -1.301 1.00 0.00 H new ATOM 0 HA ASP C 59 -6.879 -6.745 1.397 1.00 0.00 H new ATOM 0 HB2 ASP C 59 -6.082 -8.131 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP C 59 -5.445 -8.459 0.404 1.00 0.00 H new ATOM 912 N ILE C 60 -4.947 -5.260 0.966 1.00 0.00 N ATOM 913 CA ILE C 60 -3.866 -4.304 0.751 1.00 0.00 C ATOM 914 C ILE C 60 -2.521 -4.907 1.138 1.00 0.00 C ATOM 915 O ILE C 60 -2.139 -4.903 2.310 1.00 0.00 O ATOM 916 CB ILE C 60 -4.081 -3.000 1.546 1.00 0.00 C ATOM 917 CG1 ILE C 60 -4.545 -3.305 2.975 1.00 0.00 C ATOM 918 CG2 ILE C 60 -5.076 -2.097 0.829 1.00 0.00 C ATOM 919 CD1 ILE C 60 -6.022 -3.625 3.093 1.00 0.00 C ATOM 0 H ILE C 60 -5.102 -5.509 1.943 1.00 0.00 H new ATOM 0 HA ILE C 60 -3.869 -4.066 -0.313 1.00 0.00 H new ATOM 0 HB ILE C 60 -3.129 -2.473 1.609 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -3.970 -4.147 3.360 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -4.318 -2.448 3.609 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.216 -1.181 1.404 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.694 -1.849 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -6.031 -2.613 0.731 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.268 -3.829 4.135 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.608 -2.776 2.741 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.254 -4.501 2.488 1.00 0.00 H new ATOM 931 N GLU C 61 -1.808 -5.428 0.144 1.00 0.00 N ATOM 932 CA GLU C 61 -0.505 -6.039 0.375 1.00 0.00 C ATOM 933 C GLU C 61 0.619 -5.117 -0.085 1.00 0.00 C ATOM 934 O GLU C 61 0.620 -4.637 -1.220 1.00 0.00 O ATOM 935 CB GLU C 61 -0.414 -7.381 -0.356 1.00 0.00 C ATOM 936 CG GLU C 61 0.945 -8.052 -0.235 1.00 0.00 C ATOM 937 CD GLU C 61 0.936 -9.487 -0.721 1.00 0.00 C ATOM 938 OE1 GLU C 61 0.000 -9.858 -1.461 1.00 0.00 O ATOM 939 OE2 GLU C 61 1.864 -10.242 -0.362 1.00 0.00 O ATOM 0 H GLU C 61 -2.112 -5.439 -0.830 1.00 0.00 H new ATOM 0 HA GLU C 61 -0.394 -6.207 1.446 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -1.177 -8.052 0.038 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -0.640 -7.226 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU C 61 1.678 -7.484 -0.808 1.00 0.00 H new ATOM 0 HG3 GLU C 61 1.266 -8.028 0.806 1.00 0.00 H new ATOM 946 N VAL C 62 1.577 -4.876 0.803 1.00 0.00 N ATOM 947 CA VAL C 62 2.711 -4.015 0.492 1.00 0.00 C ATOM 948 C VAL C 62 3.990 -4.546 1.130 1.00 0.00 C ATOM 949 O VAL C 62 4.074 -4.692 2.349 1.00 0.00 O ATOM 950 CB VAL C 62 2.473 -2.571 0.971 1.00 0.00 C ATOM 951 CG1 VAL C 62 3.631 -1.672 0.564 1.00 0.00 C ATOM 952 CG2 VAL C 62 1.156 -2.040 0.422 1.00 0.00 C ATOM 0 H VAL C 62 1.590 -5.266 1.746 1.00 0.00 H new ATOM 0 HA VAL C 62 2.819 -4.014 -0.593 1.00 0.00 H new ATOM 0 HB VAL C 62 2.414 -2.573 2.059 1.00 0.00 H new ATOM 0 HG11 VAL C 62 3.443 -0.656 0.912 1.00 0.00 H new ATOM 0 HG12 VAL C 62 4.554 -2.043 1.010 1.00 0.00 H new ATOM 0 HG13 VAL C 62 3.727 -1.671 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL C 62 1.002 -1.018 0.770 1.00 0.00 H new ATOM 0 HG22 VAL C 62 1.185 -2.052 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL C 62 0.337 -2.669 0.770 1.00 0.00 H new ATOM 962 N ASP C 63 4.983 -4.834 0.297 1.00 0.00 N ATOM 963 CA ASP C 63 6.258 -5.349 0.777 1.00 0.00 C ATOM 964 C ASP C 63 7.420 -4.533 0.223 1.00 0.00 C ATOM 965 O ASP C 63 7.558 -4.375 -0.991 1.00 0.00 O ATOM 966 CB ASP C 63 6.419 -6.818 0.383 1.00 0.00 C ATOM 967 CG ASP C 63 7.094 -7.639 1.466 1.00 0.00 C ATOM 968 OD1 ASP C 63 7.969 -7.088 2.169 1.00 0.00 O ATOM 969 OD2 ASP C 63 6.749 -8.830 1.611 1.00 0.00 O ATOM 0 H ASP C 63 4.929 -4.719 -0.715 1.00 0.00 H new ATOM 0 HA ASP C 63 6.267 -5.267 1.864 1.00 0.00 H new ATOM 0 HB2 ASP C 63 5.439 -7.243 0.167 1.00 0.00 H new ATOM 0 HB3 ASP C 63 7.003 -6.883 -0.535 1.00 0.00 H new ATOM 974 N LEU C 64 8.253 -4.017 1.120 1.00 0.00 N ATOM 975 CA LEU C 64 9.405 -3.216 0.722 1.00 0.00 C ATOM 976 C LEU C 64 10.677 -4.058 0.712 1.00 0.00 C ATOM 977 O LEU C 64 11.215 -4.395 1.766 1.00 0.00 O ATOM 978 CB LEU C 64 9.570 -2.026 1.671 1.00 0.00 C ATOM 979 CG LEU C 64 9.183 -0.669 1.082 1.00 0.00 C ATOM 980 CD1 LEU C 64 7.804 -0.251 1.568 1.00 0.00 C ATOM 981 CD2 LEU C 64 10.220 0.387 1.441 1.00 0.00 C ATOM 0 H LEU C 64 8.152 -4.139 2.128 1.00 0.00 H new ATOM 0 HA LEU C 64 9.232 -2.847 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU C 64 8.966 -2.204 2.561 1.00 0.00 H new ATOM 0 HB3 LEU C 64 10.610 -1.981 1.995 1.00 0.00 H new ATOM 0 HG LEU C 64 9.152 -0.762 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU C 64 7.545 0.717 1.139 1.00 0.00 H new ATOM 0 HD12 LEU C 64 7.069 -0.994 1.259 1.00 0.00 H new ATOM 0 HD13 LEU C 64 7.809 -0.176 2.655 1.00 0.00 H new ATOM 0 HD21 LEU C 64 9.927 1.345 1.013 1.00 0.00 H new ATOM 0 HD22 LEU C 64 10.286 0.479 2.525 1.00 0.00 H new ATOM 0 HD23 LEU C 64 11.191 0.094 1.042 1.00 0.00 H new ATOM 993 N LEU C 65 11.149 -4.391 -0.488 1.00 0.00 N ATOM 994 CA LEU C 65 12.359 -5.193 -0.647 1.00 0.00 C ATOM 995 C LEU C 65 12.165 -6.595 -0.079 1.00 0.00 C ATOM 996 O LEU C 65 11.982 -7.558 -0.824 1.00 0.00 O ATOM 997 CB LEU C 65 13.550 -4.510 0.032 1.00 0.00 C ATOM 998 CG LEU C 65 14.856 -5.306 0.004 1.00 0.00 C ATOM 999 CD1 LEU C 65 15.194 -5.729 -1.418 1.00 0.00 C ATOM 1000 CD2 LEU C 65 15.991 -4.489 0.604 1.00 0.00 C ATOM 0 H LEU C 65 10.710 -4.116 -1.367 1.00 0.00 H new ATOM 0 HA LEU C 65 12.565 -5.280 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU C 65 13.719 -3.547 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU C 65 13.289 -4.306 1.070 1.00 0.00 H new ATOM 0 HG LEU C 65 14.724 -6.205 0.606 1.00 0.00 H new ATOM 0 HD11 LEU C 65 16.126 -6.294 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU C 65 14.392 -6.353 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU C 65 15.307 -4.844 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU C 65 16.912 -5.071 0.576 1.00 0.00 H new ATOM 0 HD22 LEU C 65 16.123 -3.572 0.029 1.00 0.00 H new ATOM 0 HD23 LEU C 65 15.752 -4.238 1.637 1.00 0.00 H new ATOM 1012 N LYS C 66 12.209 -6.706 1.244 1.00 0.00 N ATOM 1013 CA LYS C 66 12.038 -7.993 1.908 1.00 0.00 C ATOM 1014 C LYS C 66 11.036 -7.888 3.053 1.00 0.00 C ATOM 1015 O LYS C 66 10.809 -8.909 3.736 1.00 0.00 O ATOM 1016 CB LYS C 66 13.382 -8.498 2.434 1.00 0.00 C ATOM 1017 CG LYS C 66 13.411 -9.997 2.688 1.00 0.00 C ATOM 1018 CD LYS C 66 14.646 -10.648 2.081 1.00 0.00 C ATOM 1019 CE LYS C 66 15.405 -11.476 3.107 1.00 0.00 C ATOM 1020 NZ LYS C 66 15.883 -12.765 2.536 1.00 0.00 N ATOM 1021 OXT LYS C 66 10.487 -6.785 3.259 1.00 0.00 O ATOM 0 H LYS C 66 12.361 -5.921 1.877 1.00 0.00 H new ATOM 0 HA LYS C 66 11.650 -8.703 1.177 1.00 0.00 H new ATOM 0 HB2 LYS C 66 14.162 -8.244 1.716 1.00 0.00 H new ATOM 0 HB3 LYS C 66 13.619 -7.976 3.361 1.00 0.00 H new ATOM 0 HG2 LYS C 66 13.391 -10.184 3.762 1.00 0.00 H new ATOM 0 HG3 LYS C 66 12.515 -10.454 2.268 1.00 0.00 H new ATOM 0 HD2 LYS C 66 14.350 -11.284 1.247 1.00 0.00 H new ATOM 0 HD3 LYS C 66 15.303 -9.877 1.677 1.00 0.00 H new ATOM 0 HE2 LYS C 66 16.257 -10.905 3.476 1.00 0.00 H new ATOM 0 HE3 LYS C 66 14.759 -11.675 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS C 66 16.395 -13.300 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS C 66 15.069 -13.322 2.206 1.00 0.00 H new ATOM 0 HZ3 LYS C 66 16.520 -12.575 1.736 1.00 0.00 H new TER 1035 LYS C 66 ATOM 1036 N SER D 67 12.963 2.859 13.306 1.00 0.00 N ATOM 1037 CA SER D 67 14.010 3.440 12.426 1.00 0.00 C ATOM 1038 C SER D 67 13.490 3.636 11.005 1.00 0.00 C ATOM 1039 O SER D 67 13.216 2.670 10.295 1.00 0.00 O ATOM 1040 CB SER D 67 15.218 2.503 12.421 1.00 0.00 C ATOM 1041 OG SER D 67 14.909 1.277 11.779 1.00 0.00 O ATOM 0 HA SER D 67 14.296 4.420 12.809 1.00 0.00 H new ATOM 0 HB2 SER D 67 16.053 2.984 11.912 1.00 0.00 H new ATOM 0 HB3 SER D 67 15.537 2.311 13.445 1.00 0.00 H new ATOM 0 HG SER D 67 14.176 1.416 11.143 1.00 0.00 H new ATOM 1049 N ASN D 68 13.357 4.894 10.599 1.00 0.00 N ATOM 1050 CA ASN D 68 12.870 5.220 9.263 1.00 0.00 C ATOM 1051 C ASN D 68 11.481 4.632 9.029 1.00 0.00 C ATOM 1052 O ASN D 68 11.134 4.263 7.908 1.00 0.00 O ATOM 1053 CB ASN D 68 13.843 4.702 8.202 1.00 0.00 C ATOM 1054 CG ASN D 68 14.893 5.729 7.831 1.00 0.00 C ATOM 1055 OD1 ASN D 68 15.189 5.936 6.654 1.00 0.00 O ATOM 1056 ND2 ASN D 68 15.462 6.382 8.838 1.00 0.00 N ATOM 0 H ASN D 68 13.580 5.705 11.176 1.00 0.00 H new ATOM 0 HA ASN D 68 12.802 6.305 9.184 1.00 0.00 H new ATOM 0 HB2 ASN D 68 14.334 3.802 8.572 1.00 0.00 H new ATOM 0 HB3 ASN D 68 13.286 4.418 7.310 1.00 0.00 H new ATOM 0 HD21 ASN D 68 16.175 7.087 8.651 1.00 0.00 H new ATOM 0 HD22 ASN D 68 15.186 6.178 9.799 1.00 0.00 H new ATOM 1063 N PHE D 69 10.691 4.550 10.096 1.00 0.00 N ATOM 1064 CA PHE D 69 9.340 4.008 10.004 1.00 0.00 C ATOM 1065 C PHE D 69 8.300 5.116 10.134 1.00 0.00 C ATOM 1066 O PHE D 69 8.113 5.682 11.212 1.00 0.00 O ATOM 1067 CB PHE D 69 9.112 2.952 11.087 1.00 0.00 C ATOM 1068 CG PHE D 69 7.782 2.263 10.980 1.00 0.00 C ATOM 1069 CD1 PHE D 69 6.616 2.916 11.347 1.00 0.00 C ATOM 1070 CD2 PHE D 69 7.697 0.964 10.506 1.00 0.00 C ATOM 1071 CE1 PHE D 69 5.391 2.286 11.246 1.00 0.00 C ATOM 1072 CE2 PHE D 69 6.474 0.327 10.403 1.00 0.00 C ATOM 1073 CZ PHE D 69 5.319 0.989 10.773 1.00 0.00 C ATOM 0 H PHE D 69 10.963 4.851 11.032 1.00 0.00 H new ATOM 0 HA PHE D 69 9.231 3.542 9.025 1.00 0.00 H new ATOM 0 HB2 PHE D 69 9.905 2.206 11.029 1.00 0.00 H new ATOM 0 HB3 PHE D 69 9.190 3.424 12.066 1.00 0.00 H new ATOM 0 HD1 PHE D 69 6.666 3.930 11.716 1.00 0.00 H new ATOM 0 HD2 PHE D 69 8.597 0.443 10.213 1.00 0.00 H new ATOM 0 HE1 PHE D 69 4.490 2.806 11.536 1.00 0.00 H new ATOM 0 HE2 PHE D 69 6.422 -0.687 10.034 1.00 0.00 H new ATOM 0 HZ PHE D 69 4.362 0.494 10.693 1.00 0.00 H new ATOM 1083 N LEU D 70 7.623 5.420 9.032 1.00 0.00 N ATOM 1084 CA LEU D 70 6.600 6.459 9.027 1.00 0.00 C ATOM 1085 C LEU D 70 5.330 5.965 8.340 1.00 0.00 C ATOM 1086 O LEU D 70 4.886 6.536 7.343 1.00 0.00 O ATOM 1087 CB LEU D 70 7.124 7.719 8.329 1.00 0.00 C ATOM 1088 CG LEU D 70 6.192 8.934 8.379 1.00 0.00 C ATOM 1089 CD1 LEU D 70 5.575 9.086 9.762 1.00 0.00 C ATOM 1090 CD2 LEU D 70 6.947 10.197 7.992 1.00 0.00 C ATOM 0 H LEU D 70 7.764 4.962 8.132 1.00 0.00 H new ATOM 0 HA LEU D 70 6.358 6.705 10.061 1.00 0.00 H new ATOM 0 HB2 LEU D 70 8.077 7.995 8.781 1.00 0.00 H new ATOM 0 HB3 LEU D 70 7.324 7.479 7.285 1.00 0.00 H new ATOM 0 HG LEU D 70 5.386 8.776 7.662 1.00 0.00 H new ATOM 0 HD11 LEU D 70 4.917 9.955 9.773 1.00 0.00 H new ATOM 0 HD12 LEU D 70 5.000 8.192 10.004 1.00 0.00 H new ATOM 0 HD13 LEU D 70 6.366 9.220 10.500 1.00 0.00 H new ATOM 0 HD21 LEU D 70 6.271 11.051 8.032 1.00 0.00 H new ATOM 0 HD22 LEU D 70 7.773 10.354 8.686 1.00 0.00 H new ATOM 0 HD23 LEU D 70 7.338 10.091 6.980 1.00 0.00 H new ATOM 1102 N ASN D 71 4.747 4.901 8.885 1.00 0.00 N ATOM 1103 CA ASN D 71 3.526 4.327 8.329 1.00 0.00 C ATOM 1104 C ASN D 71 2.302 5.118 8.776 1.00 0.00 C ATOM 1105 O ASN D 71 1.574 4.700 9.677 1.00 0.00 O ATOM 1106 CB ASN D 71 3.383 2.863 8.751 1.00 0.00 C ATOM 1107 CG ASN D 71 2.303 2.138 7.971 1.00 0.00 C ATOM 1108 OD1 ASN D 71 2.286 2.166 6.740 1.00 0.00 O ATOM 1109 ND2 ASN D 71 1.394 1.485 8.685 1.00 0.00 N ATOM 0 H ASN D 71 5.101 4.419 9.711 1.00 0.00 H new ATOM 0 HA ASN D 71 3.594 4.378 7.242 1.00 0.00 H new ATOM 0 HB2 ASN D 71 4.335 2.352 8.608 1.00 0.00 H new ATOM 0 HB3 ASN D 71 3.152 2.816 9.815 1.00 0.00 H new ATOM 0 HD21 ASN D 71 0.643 0.980 8.215 1.00 0.00 H new ATOM 0 HD22 ASN D 71 1.447 1.489 9.704 1.00 0.00 H new ATOM 1116 N CYS D 72 2.079 6.263 8.140 1.00 0.00 N ATOM 1117 CA CYS D 72 0.942 7.113 8.471 1.00 0.00 C ATOM 1118 C CYS D 72 -0.368 6.460 8.038 1.00 0.00 C ATOM 1119 O CYS D 72 -0.546 6.117 6.869 1.00 0.00 O ATOM 1120 CB CYS D 72 1.091 8.481 7.804 1.00 0.00 C ATOM 1121 SG CYS D 72 -0.078 9.725 8.402 1.00 0.00 S ATOM 0 H CYS D 72 2.671 6.624 7.392 1.00 0.00 H new ATOM 0 HA CYS D 72 0.920 7.246 9.553 1.00 0.00 H new ATOM 0 HB2 CYS D 72 2.106 8.844 7.966 1.00 0.00 H new ATOM 0 HB3 CYS D 72 0.962 8.365 6.728 1.00 0.00 H new ATOM 0 HG CYS D 72 0.128 10.848 7.781 1.00 0.00 H new ATOM 1127 N TYR D 73 -1.279 6.289 8.990 1.00 0.00 N ATOM 1128 CA TYR D 73 -2.574 5.676 8.710 1.00 0.00 C ATOM 1129 C TYR D 73 -3.709 6.517 9.286 1.00 0.00 C ATOM 1130 O TYR D 73 -3.566 7.126 10.346 1.00 0.00 O ATOM 1131 CB TYR D 73 -2.633 4.255 9.281 1.00 0.00 C ATOM 1132 CG TYR D 73 -1.728 4.031 10.475 1.00 0.00 C ATOM 1133 CD1 TYR D 73 -1.853 4.806 11.621 1.00 0.00 C ATOM 1134 CD2 TYR D 73 -0.754 3.042 10.454 1.00 0.00 C ATOM 1135 CE1 TYR D 73 -1.029 4.602 12.712 1.00 0.00 C ATOM 1136 CE2 TYR D 73 0.073 2.831 11.541 1.00 0.00 C ATOM 1137 CZ TYR D 73 -0.069 3.614 12.667 1.00 0.00 C ATOM 1138 OH TYR D 73 0.751 3.407 13.753 1.00 0.00 O ATOM 0 H TYR D 73 -1.145 6.566 9.963 1.00 0.00 H new ATOM 0 HA TYR D 73 -2.694 5.625 7.628 1.00 0.00 H new ATOM 0 HB2 TYR D 73 -3.660 4.033 9.570 1.00 0.00 H new ATOM 0 HB3 TYR D 73 -2.363 3.548 8.496 1.00 0.00 H new ATOM 0 HD1 TYR D 73 -2.605 5.580 11.660 1.00 0.00 H new ATOM 0 HD2 TYR D 73 -0.641 2.427 9.573 1.00 0.00 H new ATOM 0 HE1 TYR D 73 -1.137 5.214 13.595 1.00 0.00 H new ATOM 0 HE2 TYR D 73 0.826 2.057 11.509 1.00 0.00 H new ATOM 0 HH TYR D 73 1.371 2.673 13.559 1.00 0.00 H new ATOM 1148 N VAL D 74 -4.835 6.550 8.580 1.00 0.00 N ATOM 1149 CA VAL D 74 -5.991 7.321 9.022 1.00 0.00 C ATOM 1150 C VAL D 74 -7.221 6.435 9.194 1.00 0.00 C ATOM 1151 O VAL D 74 -7.348 5.396 8.543 1.00 0.00 O ATOM 1152 CB VAL D 74 -6.325 8.453 8.031 1.00 0.00 C ATOM 1153 CG1 VAL D 74 -7.381 9.380 8.614 1.00 0.00 C ATOM 1154 CG2 VAL D 74 -5.070 9.229 7.662 1.00 0.00 C ATOM 0 H VAL D 74 -4.971 6.052 7.700 1.00 0.00 H new ATOM 0 HA VAL D 74 -5.725 7.755 9.986 1.00 0.00 H new ATOM 0 HB VAL D 74 -6.728 8.006 7.122 1.00 0.00 H new ATOM 0 HG11 VAL D 74 -7.604 10.173 7.900 1.00 0.00 H new ATOM 0 HG12 VAL D 74 -8.289 8.813 8.821 1.00 0.00 H new ATOM 0 HG13 VAL D 74 -7.009 9.819 9.539 1.00 0.00 H new ATOM 0 HG21 VAL D 74 -5.326 10.024 6.962 1.00 0.00 H new ATOM 0 HG22 VAL D 74 -4.634 9.664 8.561 1.00 0.00 H new ATOM 0 HG23 VAL D 74 -4.349 8.556 7.199 1.00 0.00 H new ATOM 1164 N SER D 75 -8.123 6.859 10.077 1.00 0.00 N ATOM 1165 CA SER D 75 -9.352 6.119 10.350 1.00 0.00 C ATOM 1166 C SER D 75 -9.053 4.794 11.049 1.00 0.00 C ATOM 1167 O SER D 75 -9.134 4.699 12.273 1.00 0.00 O ATOM 1168 CB SER D 75 -10.136 5.882 9.053 1.00 0.00 C ATOM 1169 OG SER D 75 -10.850 4.657 9.095 1.00 0.00 O ATOM 0 H SER D 75 -8.024 7.718 10.619 1.00 0.00 H new ATOM 0 HA SER D 75 -9.966 6.720 11.021 1.00 0.00 H new ATOM 0 HB2 SER D 75 -10.832 6.705 8.892 1.00 0.00 H new ATOM 0 HB3 SER D 75 -9.449 5.875 8.207 1.00 0.00 H new ATOM 0 HG SER D 75 -11.391 4.565 8.283 1.00 0.00 H new ATOM 1175 N GLY D 76 -8.709 3.773 10.268 1.00 0.00 N ATOM 1176 CA GLY D 76 -8.406 2.474 10.844 1.00 0.00 C ATOM 1177 C GLY D 76 -8.643 1.334 9.873 1.00 0.00 C ATOM 1178 O GLY D 76 -9.145 1.544 8.769 1.00 0.00 O ATOM 0 H GLY D 76 -8.635 3.821 9.252 1.00 0.00 H new ATOM 0 HA2 GLY D 76 -7.366 2.459 11.169 1.00 0.00 H new ATOM 0 HA3 GLY D 76 -9.019 2.323 11.732 1.00 0.00 H new ATOM 1182 N PHE D 77 -8.280 0.123 10.283 1.00 0.00 N ATOM 1183 CA PHE D 77 -8.453 -1.053 9.440 1.00 0.00 C ATOM 1184 C PHE D 77 -8.204 -2.335 10.231 1.00 0.00 C ATOM 1185 O PHE D 77 -7.557 -2.316 11.277 1.00 0.00 O ATOM 1186 CB PHE D 77 -7.513 -0.984 8.232 1.00 0.00 C ATOM 1187 CG PHE D 77 -6.055 -1.130 8.574 1.00 0.00 C ATOM 1188 CD1 PHE D 77 -5.477 -0.371 9.581 1.00 0.00 C ATOM 1189 CD2 PHE D 77 -5.259 -2.026 7.878 1.00 0.00 C ATOM 1190 CE1 PHE D 77 -4.135 -0.503 9.885 1.00 0.00 C ATOM 1191 CE2 PHE D 77 -3.917 -2.164 8.180 1.00 0.00 C ATOM 1192 CZ PHE D 77 -3.355 -1.402 9.184 1.00 0.00 C ATOM 0 H PHE D 77 -7.864 -0.069 11.194 1.00 0.00 H new ATOM 0 HA PHE D 77 -9.484 -1.067 9.085 1.00 0.00 H new ATOM 0 HB2 PHE D 77 -7.789 -1.767 7.526 1.00 0.00 H new ATOM 0 HB3 PHE D 77 -7.662 -0.031 7.724 1.00 0.00 H new ATOM 0 HD1 PHE D 77 -6.083 0.331 10.134 1.00 0.00 H new ATOM 0 HD2 PHE D 77 -5.692 -2.624 7.090 1.00 0.00 H new ATOM 0 HE1 PHE D 77 -3.697 0.096 10.670 1.00 0.00 H new ATOM 0 HE2 PHE D 77 -3.309 -2.868 7.631 1.00 0.00 H new ATOM 0 HZ PHE D 77 -2.307 -1.508 9.421 1.00 0.00 H new ATOM 1202 N HIS D 78 -8.727 -3.449 9.723 1.00 0.00 N ATOM 1203 CA HIS D 78 -8.565 -4.740 10.382 1.00 0.00 C ATOM 1204 C HIS D 78 -9.223 -5.860 9.572 1.00 0.00 C ATOM 1205 O HIS D 78 -8.551 -6.798 9.145 1.00 0.00 O ATOM 1206 CB HIS D 78 -9.147 -4.690 11.802 1.00 0.00 C ATOM 1207 CG HIS D 78 -9.334 -6.038 12.430 1.00 0.00 C ATOM 1208 ND1 HIS D 78 -10.434 -6.365 13.194 1.00 0.00 N ATOM 1209 CD2 HIS D 78 -8.555 -7.146 12.403 1.00 0.00 C ATOM 1210 CE1 HIS D 78 -10.323 -7.614 13.610 1.00 0.00 C ATOM 1211 NE2 HIS D 78 -9.193 -8.110 13.143 1.00 0.00 N ATOM 0 H HIS D 78 -9.266 -3.482 8.858 1.00 0.00 H new ATOM 0 HA HIS D 78 -7.499 -4.956 10.447 1.00 0.00 H new ATOM 0 HB2 HIS D 78 -8.488 -4.094 12.433 1.00 0.00 H new ATOM 0 HB3 HIS D 78 -10.109 -4.178 11.772 1.00 0.00 H new ATOM 0 HD2 HIS D 78 -7.608 -7.251 11.894 1.00 0.00 H new ATOM 0 HE1 HIS D 78 -11.036 -8.140 14.228 1.00 0.00 H new ATOM 0 HE2 HIS D 78 -8.849 -9.056 13.306 1.00 0.00 H new ATOM 1220 N PRO D 79 -10.550 -5.783 9.352 1.00 0.00 N ATOM 1221 CA PRO D 79 -11.284 -6.803 8.595 1.00 0.00 C ATOM 1222 C PRO D 79 -10.661 -7.077 7.229 1.00 0.00 C ATOM 1223 O PRO D 79 -10.682 -8.207 6.744 1.00 0.00 O ATOM 1224 CB PRO D 79 -12.693 -6.207 8.435 1.00 0.00 C ATOM 1225 CG PRO D 79 -12.571 -4.774 8.836 1.00 0.00 C ATOM 1226 CD PRO D 79 -11.441 -4.713 9.821 1.00 0.00 C ATOM 0 HA PRO D 79 -11.276 -7.764 9.109 1.00 0.00 H new ATOM 0 HB2 PRO D 79 -13.042 -6.298 7.407 1.00 0.00 H new ATOM 0 HB3 PRO D 79 -13.414 -6.730 9.064 1.00 0.00 H new ATOM 0 HG2 PRO D 79 -12.368 -4.143 7.971 1.00 0.00 H new ATOM 0 HG3 PRO D 79 -13.498 -4.414 9.283 1.00 0.00 H new ATOM 0 HD2 PRO D 79 -10.947 -3.741 9.812 1.00 0.00 H new ATOM 0 HD3 PRO D 79 -11.783 -4.888 10.841 1.00 0.00 H new ATOM 1234 N SER D 80 -10.104 -6.038 6.615 1.00 0.00 N ATOM 1235 CA SER D 80 -9.474 -6.176 5.306 1.00 0.00 C ATOM 1236 C SER D 80 -8.120 -6.867 5.426 1.00 0.00 C ATOM 1237 O SER D 80 -7.501 -6.859 6.491 1.00 0.00 O ATOM 1238 CB SER D 80 -9.305 -4.804 4.650 1.00 0.00 C ATOM 1239 OG SER D 80 -8.188 -4.116 5.184 1.00 0.00 O ATOM 0 H SER D 80 -10.076 -5.094 7.001 1.00 0.00 H new ATOM 0 HA SER D 80 -10.122 -6.791 4.681 1.00 0.00 H new ATOM 0 HB2 SER D 80 -9.181 -4.925 3.574 1.00 0.00 H new ATOM 0 HB3 SER D 80 -10.207 -4.212 4.802 1.00 0.00 H new ATOM 0 HG SER D 80 -8.193 -3.189 4.867 1.00 0.00 H new ATOM 1245 N ASP D 81 -7.663 -7.467 4.330 1.00 0.00 N ATOM 1246 CA ASP D 81 -6.379 -8.163 4.318 1.00 0.00 C ATOM 1247 C ASP D 81 -5.225 -7.167 4.246 1.00 0.00 C ATOM 1248 O ASP D 81 -5.078 -6.448 3.259 1.00 0.00 O ATOM 1249 CB ASP D 81 -6.310 -9.133 3.137 1.00 0.00 C ATOM 1250 CG ASP D 81 -5.700 -10.468 3.520 1.00 0.00 C ATOM 1251 OD1 ASP D 81 -6.441 -11.335 4.029 1.00 0.00 O ATOM 1252 OD2 ASP D 81 -4.483 -10.647 3.308 1.00 0.00 O ATOM 0 H ASP D 81 -8.161 -7.485 3.440 1.00 0.00 H new ATOM 0 HA ASP D 81 -6.290 -8.729 5.245 1.00 0.00 H new ATOM 0 HB2 ASP D 81 -7.314 -9.295 2.744 1.00 0.00 H new ATOM 0 HB3 ASP D 81 -5.722 -8.685 2.336 1.00 0.00 H new ATOM 1257 N ILE D 82 -4.414 -7.124 5.298 1.00 0.00 N ATOM 1258 CA ILE D 82 -3.281 -6.204 5.348 1.00 0.00 C ATOM 1259 C ILE D 82 -1.949 -6.952 5.345 1.00 0.00 C ATOM 1260 O ILE D 82 -1.836 -8.047 5.896 1.00 0.00 O ATOM 1261 CB ILE D 82 -3.362 -5.267 6.585 1.00 0.00 C ATOM 1262 CG1 ILE D 82 -2.665 -5.877 7.810 1.00 0.00 C ATOM 1263 CG2 ILE D 82 -4.812 -4.946 6.915 1.00 0.00 C ATOM 1264 CD1 ILE D 82 -3.294 -7.166 8.295 1.00 0.00 C ATOM 0 H ILE D 82 -4.519 -7.712 6.125 1.00 0.00 H new ATOM 0 HA ILE D 82 -3.333 -5.592 4.448 1.00 0.00 H new ATOM 0 HB ILE D 82 -2.840 -4.345 6.330 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -1.619 -6.064 7.565 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -2.677 -5.150 8.622 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -4.851 -4.289 7.784 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -5.278 -4.450 6.064 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -5.348 -5.869 7.134 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -2.746 -7.535 9.162 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -4.332 -6.982 8.573 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -3.258 -7.910 7.500 1.00 0.00 H new ATOM 1276 N GLU D 83 -0.942 -6.347 4.723 1.00 0.00 N ATOM 1277 CA GLU D 83 0.383 -6.950 4.653 1.00 0.00 C ATOM 1278 C GLU D 83 1.456 -5.887 4.429 1.00 0.00 C ATOM 1279 O GLU D 83 2.210 -5.947 3.457 1.00 0.00 O ATOM 1280 CB GLU D 83 0.440 -7.993 3.536 1.00 0.00 C ATOM 1281 CG GLU D 83 1.509 -9.052 3.750 1.00 0.00 C ATOM 1282 CD GLU D 83 2.540 -9.078 2.638 1.00 0.00 C ATOM 1283 OE1 GLU D 83 3.206 -8.045 2.422 1.00 0.00 O ATOM 1284 OE2 GLU D 83 2.680 -10.132 1.983 1.00 0.00 O ATOM 0 H GLU D 83 -1.019 -5.441 4.261 1.00 0.00 H new ATOM 0 HA GLU D 83 0.577 -7.442 5.606 1.00 0.00 H new ATOM 0 HB2 GLU D 83 -0.532 -8.480 3.455 1.00 0.00 H new ATOM 0 HB3 GLU D 83 0.624 -7.488 2.588 1.00 0.00 H new ATOM 0 HG2 GLU D 83 2.011 -8.869 4.700 1.00 0.00 H new ATOM 0 HG3 GLU D 83 1.035 -10.031 3.823 1.00 0.00 H new ATOM 1291 N VAL D 84 1.519 -4.915 5.334 1.00 0.00 N ATOM 1292 CA VAL D 84 2.499 -3.841 5.234 1.00 0.00 C ATOM 1293 C VAL D 84 3.862 -4.290 5.752 1.00 0.00 C ATOM 1294 O VAL D 84 3.960 -4.913 6.809 1.00 0.00 O ATOM 1295 CB VAL D 84 2.051 -2.594 6.021 1.00 0.00 C ATOM 1296 CG1 VAL D 84 2.994 -1.430 5.758 1.00 0.00 C ATOM 1297 CG2 VAL D 84 0.619 -2.220 5.664 1.00 0.00 C ATOM 0 H VAL D 84 0.903 -4.850 6.144 1.00 0.00 H new ATOM 0 HA VAL D 84 2.579 -3.586 4.177 1.00 0.00 H new ATOM 0 HB VAL D 84 2.086 -2.828 7.085 1.00 0.00 H new ATOM 0 HG11 VAL D 84 2.662 -0.558 6.322 1.00 0.00 H new ATOM 0 HG12 VAL D 84 4.003 -1.701 6.070 1.00 0.00 H new ATOM 0 HG13 VAL D 84 2.994 -1.195 4.694 1.00 0.00 H new ATOM 0 HG21 VAL D 84 0.322 -1.337 6.230 1.00 0.00 H new ATOM 0 HG22 VAL D 84 0.554 -2.006 4.597 1.00 0.00 H new ATOM 0 HG23 VAL D 84 -0.045 -3.049 5.909 1.00 0.00 H new ATOM 1307 N ASP D 85 4.910 -3.966 5.002 1.00 0.00 N ATOM 1308 CA ASP D 85 6.267 -4.336 5.387 1.00 0.00 C ATOM 1309 C ASP D 85 7.275 -3.311 4.876 1.00 0.00 C ATOM 1310 O ASP D 85 7.188 -2.856 3.735 1.00 0.00 O ATOM 1311 CB ASP D 85 6.614 -5.724 4.845 1.00 0.00 C ATOM 1312 CG ASP D 85 5.846 -6.828 5.547 1.00 0.00 C ATOM 1313 OD1 ASP D 85 6.056 -7.015 6.764 1.00 0.00 O ATOM 1314 OD2 ASP D 85 5.036 -7.504 4.879 1.00 0.00 O ATOM 0 H ASP D 85 4.846 -3.449 4.125 1.00 0.00 H new ATOM 0 HA ASP D 85 6.316 -4.357 6.476 1.00 0.00 H new ATOM 0 HB2 ASP D 85 6.399 -5.758 3.777 1.00 0.00 H new ATOM 0 HB3 ASP D 85 7.684 -5.899 4.961 1.00 0.00 H new ATOM 1319 N LEU D 86 8.234 -2.955 5.725 1.00 0.00 N ATOM 1320 CA LEU D 86 9.261 -1.983 5.356 1.00 0.00 C ATOM 1321 C LEU D 86 10.656 -2.557 5.588 1.00 0.00 C ATOM 1322 O LEU D 86 11.191 -2.487 6.694 1.00 0.00 O ATOM 1323 CB LEU D 86 9.097 -0.669 6.139 1.00 0.00 C ATOM 1324 CG LEU D 86 8.119 -0.700 7.321 1.00 0.00 C ATOM 1325 CD1 LEU D 86 6.702 -0.985 6.844 1.00 0.00 C ATOM 1326 CD2 LEU D 86 8.558 -1.725 8.359 1.00 0.00 C ATOM 0 H LEU D 86 8.323 -3.324 6.672 1.00 0.00 H new ATOM 0 HA LEU D 86 9.139 -1.766 4.295 1.00 0.00 H new ATOM 0 HB2 LEU D 86 10.076 -0.369 6.513 1.00 0.00 H new ATOM 0 HB3 LEU D 86 8.770 0.105 5.444 1.00 0.00 H new ATOM 0 HG LEU D 86 8.125 0.283 7.792 1.00 0.00 H new ATOM 0 HD11 LEU D 86 6.027 -1.002 7.699 1.00 0.00 H new ATOM 0 HD12 LEU D 86 6.388 -0.206 6.149 1.00 0.00 H new ATOM 0 HD13 LEU D 86 6.675 -1.952 6.341 1.00 0.00 H new ATOM 0 HD21 LEU D 86 7.850 -1.730 9.188 1.00 0.00 H new ATOM 0 HD22 LEU D 86 8.589 -2.714 7.903 1.00 0.00 H new ATOM 0 HD23 LEU D 86 9.549 -1.465 8.730 1.00 0.00 H new ATOM 1338 N LEU D 87 11.240 -3.129 4.537 1.00 0.00 N ATOM 1339 CA LEU D 87 12.571 -3.716 4.630 1.00 0.00 C ATOM 1340 C LEU D 87 12.595 -4.841 5.659 1.00 0.00 C ATOM 1341 O LEU D 87 12.689 -4.594 6.861 1.00 0.00 O ATOM 1342 CB LEU D 87 13.600 -2.646 5.002 1.00 0.00 C ATOM 1343 CG LEU D 87 14.092 -1.786 3.835 1.00 0.00 C ATOM 1344 CD1 LEU D 87 14.953 -2.611 2.892 1.00 0.00 C ATOM 1345 CD2 LEU D 87 12.917 -1.174 3.089 1.00 0.00 C ATOM 0 H LEU D 87 10.812 -3.197 3.614 1.00 0.00 H new ATOM 0 HA LEU D 87 12.828 -4.131 3.655 1.00 0.00 H new ATOM 0 HB2 LEU D 87 13.164 -1.992 5.757 1.00 0.00 H new ATOM 0 HB3 LEU D 87 14.460 -3.134 5.461 1.00 0.00 H new ATOM 0 HG LEU D 87 14.701 -0.976 4.237 1.00 0.00 H new ATOM 0 HD11 LEU D 87 15.294 -1.984 2.068 1.00 0.00 H new ATOM 0 HD12 LEU D 87 15.815 -3.000 3.433 1.00 0.00 H new ATOM 0 HD13 LEU D 87 14.368 -3.441 2.497 1.00 0.00 H new ATOM 0 HD21 LEU D 87 13.287 -0.566 2.263 1.00 0.00 H new ATOM 0 HD22 LEU D 87 12.281 -1.968 2.698 1.00 0.00 H new ATOM 0 HD23 LEU D 87 12.340 -0.548 3.770 1.00 0.00 H new ATOM 1357 N LYS D 88 12.506 -6.077 5.178 1.00 0.00 N ATOM 1358 CA LYS D 88 12.515 -7.246 6.050 1.00 0.00 C ATOM 1359 C LYS D 88 11.276 -7.267 6.945 1.00 0.00 C ATOM 1360 O LYS D 88 10.719 -8.364 7.158 1.00 0.00 O ATOM 1361 CB LYS D 88 13.802 -7.271 6.892 1.00 0.00 C ATOM 1362 CG LYS D 88 13.612 -6.909 8.360 1.00 0.00 C ATOM 1363 CD LYS D 88 14.913 -6.439 8.991 1.00 0.00 C ATOM 1364 CE LYS D 88 14.664 -5.699 10.296 1.00 0.00 C ATOM 1365 NZ LYS D 88 14.845 -4.228 10.145 1.00 0.00 N ATOM 1366 OXT LYS D 88 10.875 -6.185 7.424 1.00 0.00 O ATOM 0 H LYS D 88 12.427 -6.295 4.185 1.00 0.00 H new ATOM 0 HA LYS D 88 12.492 -8.142 5.429 1.00 0.00 H new ATOM 0 HB2 LYS D 88 14.240 -8.267 6.832 1.00 0.00 H new ATOM 0 HB3 LYS D 88 14.521 -6.580 6.452 1.00 0.00 H new ATOM 0 HG2 LYS D 88 12.860 -6.125 8.448 1.00 0.00 H new ATOM 0 HG3 LYS D 88 13.235 -7.775 8.904 1.00 0.00 H new ATOM 0 HD2 LYS D 88 15.560 -7.297 9.176 1.00 0.00 H new ATOM 0 HD3 LYS D 88 15.441 -5.786 8.296 1.00 0.00 H new ATOM 0 HE2 LYS D 88 13.652 -5.906 10.643 1.00 0.00 H new ATOM 0 HE3 LYS D 88 15.346 -6.072 11.060 1.00 0.00 H new ATOM 0 HZ1 LYS D 88 14.666 -3.761 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS D 88 15.818 -4.028 9.838 1.00 0.00 H new ATOM 0 HZ3 LYS D 88 14.177 -3.867 9.434 1.00 0.00 H new TER 1380 LYS D 88