USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1003 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 83 THR OG1 : rot 78:sc= 0.0803 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 HIS : no HD1:sc= -4.44! C(o=-8.2!,f=-5.9!) USER MOD Set 2.2: A 66 THR OG1 : rot 120:sc= -3.73! USER MOD Single : A 6 SER OG : rot -11:sc= 0.932 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.76! C(o=-1.8!,f=-3.3!) USER MOD Single : A 16 ASN : amide:sc=-0.00413 X(o=-0.0041,f=-0.033) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -65:sc= 0.318 USER MOD Single : A 45 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.4!) USER MOD Single : A 46 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.39) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.74) USER MOD Single : A 71 CYS SG : rot 112:sc= 1.06 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -162:sc= -0.73 (180deg=-2.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 91 ASN : amide:sc= -0.085 X(o=-0.085,f=-0.079) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.345 X(o=0.35,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 84:sc= 0.533 USER MOD Single : A 107 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.73) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.45) USER MOD Single : A 114 THR OG1 : rot 110:sc= -1.97! USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot -172:sc= 1.15 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -11.231 -8.471 -4.872 1.00 0.00 N ATOM 68 CA SER A 6 -11.410 -7.036 -5.011 1.00 0.00 C ATOM 69 C SER A 6 -12.271 -6.503 -3.863 1.00 0.00 C ATOM 70 O SER A 6 -13.448 -6.841 -3.757 1.00 0.00 O ATOM 71 CB SER A 6 -12.047 -6.688 -6.358 1.00 0.00 C ATOM 72 OG SER A 6 -11.413 -5.571 -6.976 1.00 0.00 O ATOM 0 HA SER A 6 -10.429 -6.563 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.987 -7.551 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.105 -6.470 -6.213 1.00 0.00 H new ATOM 0 HG SER A 6 -10.816 -5.136 -6.332 1.00 0.00 H new ATOM 78 N GLY A 7 -11.649 -5.677 -3.034 1.00 0.00 N ATOM 79 CA GLY A 7 -12.344 -5.094 -1.899 1.00 0.00 C ATOM 80 C GLY A 7 -11.948 -3.628 -1.709 1.00 0.00 C ATOM 81 O GLY A 7 -11.151 -3.092 -2.476 1.00 0.00 O ATOM 0 H GLY A 7 -10.672 -5.398 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.421 -5.167 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.110 -5.658 -0.996 1.00 0.00 H new ATOM 85 N LYS A 8 -12.527 -3.021 -0.682 1.00 0.00 N ATOM 86 CA LYS A 8 -12.246 -1.629 -0.382 1.00 0.00 C ATOM 87 C LYS A 8 -11.492 -1.538 0.947 1.00 0.00 C ATOM 88 O LYS A 8 -11.882 -2.168 1.929 1.00 0.00 O ATOM 89 CB LYS A 8 -13.533 -0.802 -0.415 1.00 0.00 C ATOM 90 CG LYS A 8 -13.378 0.420 -1.322 1.00 0.00 C ATOM 91 CD LYS A 8 -14.150 1.617 -0.765 1.00 0.00 C ATOM 92 CE LYS A 8 -14.888 2.361 -1.880 1.00 0.00 C ATOM 93 NZ LYS A 8 -15.606 3.534 -1.334 1.00 0.00 N ATOM 0 H LYS A 8 -13.189 -3.469 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.598 -1.200 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.357 -1.420 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.788 -0.480 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.323 0.676 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.740 0.183 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.864 1.277 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.461 2.297 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.178 2.684 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.595 1.689 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.101 4.027 -2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.297 3.218 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.925 4.182 -0.890 1.00 0.00 H new ATOM 106 N TYR A 9 -10.426 -0.752 0.934 1.00 0.00 N ATOM 107 CA TYR A 9 -9.614 -0.573 2.126 1.00 0.00 C ATOM 108 C TYR A 9 -9.732 0.856 2.659 1.00 0.00 C ATOM 109 O TYR A 9 -9.665 1.817 1.894 1.00 0.00 O ATOM 110 CB TYR A 9 -8.168 -0.824 1.693 1.00 0.00 C ATOM 111 CG TYR A 9 -7.124 -0.189 2.613 1.00 0.00 C ATOM 112 CD1 TYR A 9 -6.743 1.124 2.423 1.00 0.00 C ATOM 113 CD2 TYR A 9 -6.562 -0.929 3.633 1.00 0.00 C ATOM 114 CE1 TYR A 9 -5.761 1.721 3.289 1.00 0.00 C ATOM 115 CE2 TYR A 9 -5.578 -0.332 4.500 1.00 0.00 C ATOM 116 CZ TYR A 9 -5.227 0.964 4.284 1.00 0.00 C ATOM 117 OH TYR A 9 -4.298 1.528 5.102 1.00 0.00 O ATOM 0 H TYR A 9 -10.105 -0.232 0.117 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.938 -1.250 2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -7.994 -1.899 1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.030 -0.438 0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.182 1.703 1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.860 -1.956 3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.455 2.748 3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.130 -0.900 5.302 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.005 0.870 5.767 1.00 0.00 H new ATOM 127 N GLN A 10 -9.908 0.952 3.970 1.00 0.00 N ATOM 128 CA GLN A 10 -10.036 2.248 4.615 1.00 0.00 C ATOM 129 C GLN A 10 -9.146 2.312 5.858 1.00 0.00 C ATOM 130 O GLN A 10 -9.250 1.464 6.744 1.00 0.00 O ATOM 131 CB GLN A 10 -11.496 2.541 4.969 1.00 0.00 C ATOM 132 CG GLN A 10 -11.850 3.998 4.665 1.00 0.00 C ATOM 133 CD GLN A 10 -12.805 4.561 5.720 1.00 0.00 C ATOM 134 OE1 GLN A 10 -12.478 4.682 6.890 1.00 0.00 O ATOM 135 NE2 GLN A 10 -14.000 4.895 5.244 1.00 0.00 N ATOM 0 H GLN A 10 -9.965 0.153 4.602 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.705 3.016 3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.151 1.878 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.667 2.334 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.941 4.598 4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.310 4.066 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.208 4.768 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.709 5.279 5.869 1.00 0.00 H new ATOM 144 N LEU A 11 -8.293 3.325 5.885 1.00 0.00 N ATOM 145 CA LEU A 11 -7.387 3.510 7.005 1.00 0.00 C ATOM 146 C LEU A 11 -8.199 3.702 8.287 1.00 0.00 C ATOM 147 O LEU A 11 -8.905 4.698 8.436 1.00 0.00 O ATOM 148 CB LEU A 11 -6.410 4.653 6.719 1.00 0.00 C ATOM 149 CG LEU A 11 -5.790 5.327 7.945 1.00 0.00 C ATOM 150 CD1 LEU A 11 -5.484 4.302 9.039 1.00 0.00 C ATOM 151 CD2 LEU A 11 -4.552 6.138 7.558 1.00 0.00 C ATOM 0 H LEU A 11 -8.210 4.026 5.149 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.771 2.622 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.604 4.268 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.931 5.412 6.136 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.519 6.027 8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.044 4.808 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.407 3.807 9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.783 3.560 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.131 6.606 8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.810 5.477 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.832 6.909 6.840 1.00 0.00 H new ATOM 163 N GLN A 12 -8.074 2.730 9.179 1.00 0.00 N ATOM 164 CA GLN A 12 -8.788 2.779 10.443 1.00 0.00 C ATOM 165 C GLN A 12 -7.921 3.440 11.517 1.00 0.00 C ATOM 166 O GLN A 12 -8.301 4.463 12.085 1.00 0.00 O ATOM 167 CB GLN A 12 -9.228 1.381 10.879 1.00 0.00 C ATOM 168 CG GLN A 12 -10.739 1.206 10.717 1.00 0.00 C ATOM 169 CD GLN A 12 -11.245 0.013 11.530 1.00 0.00 C ATOM 170 OE1 GLN A 12 -10.568 -0.987 11.700 1.00 0.00 O ATOM 171 NE2 GLN A 12 -12.469 0.175 12.025 1.00 0.00 N ATOM 0 H GLN A 12 -7.489 1.904 9.051 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.686 3.381 10.307 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.706 0.630 10.286 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.949 1.216 11.920 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.250 2.113 11.040 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.981 1.061 9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.982 1.038 11.845 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.895 -0.564 12.585 1.00 0.00 H new ATOM 180 N SER A 13 -6.772 2.828 11.765 1.00 0.00 N ATOM 181 CA SER A 13 -5.849 3.343 12.760 1.00 0.00 C ATOM 182 C SER A 13 -4.406 3.149 12.287 1.00 0.00 C ATOM 183 O SER A 13 -4.126 2.253 11.492 1.00 0.00 O ATOM 184 CB SER A 13 -6.059 2.660 14.113 1.00 0.00 C ATOM 185 OG SER A 13 -5.830 3.551 15.202 1.00 0.00 O ATOM 0 H SER A 13 -6.460 1.979 11.293 1.00 0.00 H new ATOM 0 HA SER A 13 -6.044 4.408 12.886 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.076 2.272 14.169 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.387 1.806 14.196 1.00 0.00 H new ATOM 0 HG SER A 13 -5.976 3.078 16.048 1.00 0.00 H new ATOM 191 N GLN A 14 -3.530 4.004 12.795 1.00 0.00 N ATOM 192 CA GLN A 14 -2.124 3.937 12.434 1.00 0.00 C ATOM 193 C GLN A 14 -1.250 4.277 13.642 1.00 0.00 C ATOM 194 O GLN A 14 -1.684 4.987 14.547 1.00 0.00 O ATOM 195 CB GLN A 14 -1.817 4.864 11.256 1.00 0.00 C ATOM 196 CG GLN A 14 -0.490 4.485 10.593 1.00 0.00 C ATOM 197 CD GLN A 14 -0.358 5.142 9.218 1.00 0.00 C ATOM 198 OE1 GLN A 14 -1.301 5.690 8.669 1.00 0.00 O ATOM 199 NE2 GLN A 14 0.861 5.058 8.693 1.00 0.00 N ATOM 0 H GLN A 14 -3.767 4.746 13.453 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.896 2.918 12.121 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.623 4.807 10.524 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.773 5.896 11.603 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.340 4.794 11.229 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.427 3.402 10.490 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.606 4.585 9.206 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.051 5.466 7.778 1.00 0.00 H new ATOM 208 N GLU A 15 -0.033 3.755 13.617 1.00 0.00 N ATOM 209 CA GLU A 15 0.907 3.993 14.699 1.00 0.00 C ATOM 210 C GLU A 15 2.224 4.543 14.147 1.00 0.00 C ATOM 211 O GLU A 15 2.862 3.909 13.307 1.00 0.00 O ATOM 212 CB GLU A 15 1.143 2.719 15.512 1.00 0.00 C ATOM 213 CG GLU A 15 1.414 1.525 14.594 1.00 0.00 C ATOM 214 CD GLU A 15 2.193 0.433 15.330 1.00 0.00 C ATOM 215 OE1 GLU A 15 1.586 -0.473 15.920 1.00 0.00 O ATOM 216 OE2 GLU A 15 3.477 0.549 15.276 1.00 0.00 O ATOM 0 H GLU A 15 0.324 3.167 12.864 1.00 0.00 H new ATOM 0 HA GLU A 15 0.477 4.737 15.369 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.988 2.864 16.185 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.272 2.514 16.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.470 1.120 14.230 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.978 1.854 13.721 1.00 0.00 H new ATOM 224 N ASN A 16 2.593 5.715 14.641 1.00 0.00 N ATOM 225 CA ASN A 16 3.822 6.358 14.208 1.00 0.00 C ATOM 226 C ASN A 16 3.788 6.543 12.689 1.00 0.00 C ATOM 227 O ASN A 16 4.742 6.194 11.995 1.00 0.00 O ATOM 228 CB ASN A 16 5.041 5.501 14.551 1.00 0.00 C ATOM 229 CG ASN A 16 5.222 5.386 16.066 1.00 0.00 C ATOM 230 OD1 ASN A 16 4.507 4.672 16.750 1.00 0.00 O ATOM 231 ND2 ASN A 16 6.214 6.127 16.551 1.00 0.00 N ATOM 0 H ASN A 16 2.062 6.237 15.338 1.00 0.00 H new ATOM 0 HA ASN A 16 3.899 7.318 14.719 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.925 4.507 14.119 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.935 5.939 14.107 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.414 6.120 17.551 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.775 6.703 15.923 1.00 0.00 H new ATOM 238 N PHE A 17 2.678 7.091 12.217 1.00 0.00 N ATOM 239 CA PHE A 17 2.507 7.327 10.793 1.00 0.00 C ATOM 240 C PHE A 17 3.445 8.432 10.303 1.00 0.00 C ATOM 241 O PHE A 17 3.980 8.352 9.199 1.00 0.00 O ATOM 242 CB PHE A 17 1.058 7.775 10.585 1.00 0.00 C ATOM 243 CG PHE A 17 0.600 8.869 11.550 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.873 10.174 11.279 1.00 0.00 C ATOM 245 CD2 PHE A 17 -0.079 8.538 12.681 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.448 11.190 12.175 1.00 0.00 C ATOM 247 CE2 PHE A 17 -0.505 9.554 13.578 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.231 10.859 13.306 1.00 0.00 C ATOM 0 H PHE A 17 1.888 7.378 12.795 1.00 0.00 H new ATOM 0 HA PHE A 17 2.737 6.419 10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.943 8.135 9.563 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.402 6.911 10.694 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.413 10.437 10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.294 7.502 12.897 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.664 12.226 11.958 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.046 9.291 14.475 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.553 11.632 13.988 1.00 0.00 H new ATOM 258 N GLU A 18 3.615 9.437 11.149 1.00 0.00 N ATOM 259 CA GLU A 18 4.479 10.557 10.817 1.00 0.00 C ATOM 260 C GLU A 18 5.929 10.087 10.680 1.00 0.00 C ATOM 261 O GLU A 18 6.632 10.490 9.755 1.00 0.00 O ATOM 262 CB GLU A 18 4.360 11.670 11.860 1.00 0.00 C ATOM 263 CG GLU A 18 3.307 12.699 11.444 1.00 0.00 C ATOM 264 CD GLU A 18 2.883 13.562 12.635 1.00 0.00 C ATOM 265 OE1 GLU A 18 2.520 13.023 13.692 1.00 0.00 O ATOM 266 OE2 GLU A 18 2.941 14.834 12.435 1.00 0.00 O ATOM 0 H GLU A 18 3.169 9.499 12.064 1.00 0.00 H new ATOM 0 HA GLU A 18 4.158 10.966 9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.093 11.241 12.826 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.325 12.161 11.985 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.707 13.335 10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.437 12.188 11.032 1.00 0.00 H new ATOM 274 N ALA A 19 6.333 9.240 11.616 1.00 0.00 N ATOM 275 CA ALA A 19 7.686 8.710 11.611 1.00 0.00 C ATOM 276 C ALA A 19 8.073 8.323 10.183 1.00 0.00 C ATOM 277 O ALA A 19 9.209 8.540 9.763 1.00 0.00 O ATOM 278 CB ALA A 19 7.775 7.529 12.580 1.00 0.00 C ATOM 0 H ALA A 19 5.747 8.908 12.382 1.00 0.00 H new ATOM 0 HA ALA A 19 8.395 9.465 11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.790 7.131 12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.520 7.863 13.586 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.079 6.750 12.269 1.00 0.00 H new ATOM 284 N PHE A 20 7.108 7.756 9.474 1.00 0.00 N ATOM 285 CA PHE A 20 7.333 7.337 8.102 1.00 0.00 C ATOM 286 C PHE A 20 7.623 8.540 7.202 1.00 0.00 C ATOM 287 O PHE A 20 8.509 8.483 6.351 1.00 0.00 O ATOM 288 CB PHE A 20 6.048 6.656 7.626 1.00 0.00 C ATOM 289 CG PHE A 20 6.245 5.726 6.427 1.00 0.00 C ATOM 290 CD1 PHE A 20 6.216 6.229 5.164 1.00 0.00 C ATOM 291 CD2 PHE A 20 6.448 4.396 6.625 1.00 0.00 C ATOM 292 CE1 PHE A 20 6.399 5.366 4.051 1.00 0.00 C ATOM 293 CE2 PHE A 20 6.631 3.532 5.511 1.00 0.00 C ATOM 294 CZ PHE A 20 6.602 4.036 4.249 1.00 0.00 C ATOM 0 H PHE A 20 6.167 7.577 9.825 1.00 0.00 H new ATOM 0 HA PHE A 20 8.191 6.666 8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.625 6.083 8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.319 7.422 7.363 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.054 7.285 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.470 3.996 7.628 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.377 5.766 3.048 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.793 2.476 5.667 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.740 3.380 3.403 1.00 0.00 H new ATOM 304 N MET A 21 6.858 9.600 7.421 1.00 0.00 N ATOM 305 CA MET A 21 7.021 10.814 6.640 1.00 0.00 C ATOM 306 C MET A 21 8.271 11.582 7.076 1.00 0.00 C ATOM 307 O MET A 21 8.956 12.181 6.247 1.00 0.00 O ATOM 308 CB MET A 21 5.789 11.703 6.815 1.00 0.00 C ATOM 309 CG MET A 21 4.681 11.305 5.836 1.00 0.00 C ATOM 310 SD MET A 21 3.608 10.094 6.589 1.00 0.00 S ATOM 311 CE MET A 21 3.018 9.253 5.129 1.00 0.00 C ATOM 0 H MET A 21 6.124 9.643 8.128 1.00 0.00 H new ATOM 0 HA MET A 21 7.134 10.537 5.592 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.421 11.623 7.838 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.063 12.746 6.655 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.105 12.185 5.548 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.119 10.898 4.924 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.330 8.459 5.420 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.501 9.963 4.484 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.862 8.823 4.591 1.00 0.00 H new ATOM 321 N LYS A 22 8.529 11.541 8.375 1.00 0.00 N ATOM 322 CA LYS A 22 9.685 12.226 8.930 1.00 0.00 C ATOM 323 C LYS A 22 10.960 11.505 8.486 1.00 0.00 C ATOM 324 O LYS A 22 12.027 12.113 8.417 1.00 0.00 O ATOM 325 CB LYS A 22 9.550 12.359 10.448 1.00 0.00 C ATOM 326 CG LYS A 22 8.437 13.344 10.815 1.00 0.00 C ATOM 327 CD LYS A 22 8.867 14.786 10.534 1.00 0.00 C ATOM 328 CE LYS A 22 8.586 15.686 11.740 1.00 0.00 C ATOM 329 NZ LYS A 22 9.100 17.053 11.497 1.00 0.00 N ATOM 0 H LYS A 22 7.958 11.045 9.059 1.00 0.00 H new ATOM 0 HA LYS A 22 9.745 13.245 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.336 11.383 10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.495 12.698 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.538 13.111 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.183 13.235 11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.930 14.813 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.335 15.165 9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.514 15.723 11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.055 15.268 12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.901 17.651 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.127 17.014 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.633 17.455 10.659 1.00 0.00 H new ATOM 342 N ALA A 23 10.807 10.221 8.200 1.00 0.00 N ATOM 343 CA ALA A 23 11.934 9.412 7.765 1.00 0.00 C ATOM 344 C ALA A 23 12.399 9.891 6.389 1.00 0.00 C ATOM 345 O ALA A 23 13.596 9.907 6.106 1.00 0.00 O ATOM 346 CB ALA A 23 11.531 7.936 7.764 1.00 0.00 C ATOM 0 H ALA A 23 9.920 9.720 8.261 1.00 0.00 H new ATOM 0 HA ALA A 23 12.773 9.521 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.375 7.329 7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.237 7.638 8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.693 7.788 7.083 1.00 0.00 H new ATOM 352 N ILE A 24 11.430 10.269 5.570 1.00 0.00 N ATOM 353 CA ILE A 24 11.725 10.748 4.230 1.00 0.00 C ATOM 354 C ILE A 24 11.939 12.262 4.269 1.00 0.00 C ATOM 355 O ILE A 24 12.596 12.823 3.393 1.00 0.00 O ATOM 356 CB ILE A 24 10.636 10.305 3.250 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.250 10.718 3.750 1.00 0.00 C ATOM 358 CG2 ILE A 24 10.722 8.803 2.976 1.00 0.00 C ATOM 359 CD1 ILE A 24 8.209 10.607 2.633 1.00 0.00 C ATOM 0 H ILE A 24 10.438 10.254 5.808 1.00 0.00 H new ATOM 0 HA ILE A 24 12.651 10.305 3.863 1.00 0.00 H new ATOM 0 HB ILE A 24 10.802 10.814 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.958 10.085 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.283 11.743 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.937 8.515 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.695 8.567 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.595 8.255 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.233 10.906 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.491 11.259 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.161 9.576 2.282 1.00 0.00 H new ATOM 371 N GLY A 25 11.372 12.882 5.294 1.00 0.00 N ATOM 372 CA GLY A 25 11.493 14.320 5.459 1.00 0.00 C ATOM 373 C GLY A 25 10.275 15.042 4.880 1.00 0.00 C ATOM 374 O GLY A 25 10.420 15.980 4.097 1.00 0.00 O ATOM 0 H GLY A 25 10.827 12.414 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.594 14.561 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.398 14.672 4.964 1.00 0.00 H new ATOM 378 N LEU A 26 9.103 14.577 5.286 1.00 0.00 N ATOM 379 CA LEU A 26 7.861 15.167 4.815 1.00 0.00 C ATOM 380 C LEU A 26 7.422 16.264 5.788 1.00 0.00 C ATOM 381 O LEU A 26 7.699 16.186 6.983 1.00 0.00 O ATOM 382 CB LEU A 26 6.803 14.084 4.593 1.00 0.00 C ATOM 383 CG LEU A 26 6.349 13.876 3.147 1.00 0.00 C ATOM 384 CD1 LEU A 26 7.502 13.373 2.277 1.00 0.00 C ATOM 385 CD2 LEU A 26 5.134 12.949 3.082 1.00 0.00 C ATOM 0 H LEU A 26 8.987 13.799 5.935 1.00 0.00 H new ATOM 0 HA LEU A 26 8.008 15.640 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.195 13.139 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.929 14.329 5.196 1.00 0.00 H new ATOM 0 HG LEU A 26 6.040 14.840 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.152 13.233 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.311 14.103 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.866 12.423 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.832 12.818 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.392 11.980 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.311 13.387 3.647 1.00 0.00 H new ATOM 397 N PRO A 27 6.728 17.288 5.223 1.00 0.00 N ATOM 398 CA PRO A 27 6.249 18.400 6.026 1.00 0.00 C ATOM 399 C PRO A 27 5.034 17.990 6.861 1.00 0.00 C ATOM 400 O PRO A 27 4.489 16.902 6.678 1.00 0.00 O ATOM 401 CB PRO A 27 5.940 19.503 5.028 1.00 0.00 C ATOM 402 CG PRO A 27 5.814 18.818 3.677 1.00 0.00 C ATOM 403 CD PRO A 27 6.382 17.415 3.810 1.00 0.00 C ATOM 0 HA PRO A 27 6.984 18.738 6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.018 20.021 5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.733 20.251 5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.770 18.779 3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.354 19.378 2.914 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.652 16.662 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.257 17.280 3.174 1.00 0.00 H new ATOM 411 N GLU A 28 4.643 18.883 7.759 1.00 0.00 N ATOM 412 CA GLU A 28 3.502 18.628 8.621 1.00 0.00 C ATOM 413 C GLU A 28 2.197 18.818 7.845 1.00 0.00 C ATOM 414 O GLU A 28 1.258 18.039 8.002 1.00 0.00 O ATOM 415 CB GLU A 28 3.539 19.525 9.859 1.00 0.00 C ATOM 416 CG GLU A 28 2.163 19.602 10.522 1.00 0.00 C ATOM 417 CD GLU A 28 2.282 19.533 12.046 1.00 0.00 C ATOM 418 OE1 GLU A 28 2.925 20.401 12.656 1.00 0.00 O ATOM 419 OE2 GLU A 28 1.680 18.534 12.596 1.00 0.00 O ATOM 0 H GLU A 28 5.097 19.784 7.908 1.00 0.00 H new ATOM 0 HA GLU A 28 3.552 17.594 8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.268 19.138 10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.868 20.526 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.669 20.530 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.538 18.784 10.165 1.00 0.00 H new ATOM 427 N GLU A 29 2.180 19.858 7.024 1.00 0.00 N ATOM 428 CA GLU A 29 1.006 20.160 6.223 1.00 0.00 C ATOM 429 C GLU A 29 0.641 18.963 5.343 1.00 0.00 C ATOM 430 O GLU A 29 -0.537 18.656 5.165 1.00 0.00 O ATOM 431 CB GLU A 29 1.228 21.416 5.377 1.00 0.00 C ATOM 432 CG GLU A 29 2.651 21.454 4.816 1.00 0.00 C ATOM 433 CD GLU A 29 2.686 22.160 3.459 1.00 0.00 C ATOM 434 OE1 GLU A 29 1.922 21.799 2.552 1.00 0.00 O ATOM 435 OE2 GLU A 29 3.547 23.117 3.365 1.00 0.00 O ATOM 0 H GLU A 29 2.961 20.502 6.896 1.00 0.00 H new ATOM 0 HA GLU A 29 0.172 20.358 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.509 21.439 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.048 22.304 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.308 21.970 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.032 20.438 4.711 1.00 0.00 H new ATOM 443 N LEU A 30 1.672 18.320 4.817 1.00 0.00 N ATOM 444 CA LEU A 30 1.475 17.163 3.960 1.00 0.00 C ATOM 445 C LEU A 30 1.012 15.978 4.810 1.00 0.00 C ATOM 446 O LEU A 30 0.086 15.263 4.430 1.00 0.00 O ATOM 447 CB LEU A 30 2.737 16.879 3.143 1.00 0.00 C ATOM 448 CG LEU A 30 2.917 17.714 1.874 1.00 0.00 C ATOM 449 CD1 LEU A 30 4.241 17.381 1.182 1.00 0.00 C ATOM 450 CD2 LEU A 30 1.721 17.547 0.935 1.00 0.00 C ATOM 0 H LEU A 30 2.647 18.578 4.967 1.00 0.00 H new ATOM 0 HA LEU A 30 0.689 17.359 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.604 17.037 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.735 15.825 2.864 1.00 0.00 H new ATOM 0 HG LEU A 30 2.959 18.765 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.344 17.988 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.069 17.592 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.254 16.325 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.874 18.151 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.624 16.499 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.812 17.872 1.442 1.00 0.00 H new ATOM 462 N ILE A 31 1.678 15.806 5.941 1.00 0.00 N ATOM 463 CA ILE A 31 1.347 14.720 6.848 1.00 0.00 C ATOM 464 C ILE A 31 -0.069 14.927 7.389 1.00 0.00 C ATOM 465 O ILE A 31 -0.863 13.989 7.432 1.00 0.00 O ATOM 466 CB ILE A 31 2.410 14.591 7.941 1.00 0.00 C ATOM 467 CG1 ILE A 31 3.759 14.179 7.348 1.00 0.00 C ATOM 468 CG2 ILE A 31 1.951 13.632 9.041 1.00 0.00 C ATOM 469 CD1 ILE A 31 4.917 14.731 8.183 1.00 0.00 C ATOM 0 H ILE A 31 2.446 16.401 6.251 1.00 0.00 H new ATOM 0 HA ILE A 31 1.351 13.767 6.318 1.00 0.00 H new ATOM 0 HB ILE A 31 2.546 15.569 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.824 13.092 7.304 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.837 14.545 6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.725 13.558 9.805 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.031 14.007 9.490 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.769 12.647 8.612 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.864 14.424 7.740 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.863 15.819 8.205 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.850 14.344 9.200 1.00 0.00 H new ATOM 481 N GLN A 32 -0.342 16.161 7.787 1.00 0.00 N ATOM 482 CA GLN A 32 -1.648 16.502 8.324 1.00 0.00 C ATOM 483 C GLN A 32 -2.713 16.408 7.228 1.00 0.00 C ATOM 484 O GLN A 32 -3.884 16.164 7.516 1.00 0.00 O ATOM 485 CB GLN A 32 -1.634 17.895 8.956 1.00 0.00 C ATOM 486 CG GLN A 32 -3.050 18.467 9.053 1.00 0.00 C ATOM 487 CD GLN A 32 -3.124 19.568 10.114 1.00 0.00 C ATOM 488 OE1 GLN A 32 -2.130 19.982 10.687 1.00 0.00 O ATOM 489 NE2 GLN A 32 -4.356 20.014 10.343 1.00 0.00 N ATOM 0 H GLN A 32 0.319 16.937 7.748 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.896 15.786 9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.190 17.843 9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.009 18.561 8.362 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.351 18.868 8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.752 17.671 9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.144 19.623 9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.513 20.747 11.035 1.00 0.00 H new ATOM 498 N LYS A 33 -2.268 16.605 5.997 1.00 0.00 N ATOM 499 CA LYS A 33 -3.167 16.545 4.857 1.00 0.00 C ATOM 500 C LYS A 33 -3.444 15.081 4.508 1.00 0.00 C ATOM 501 O LYS A 33 -4.256 14.792 3.631 1.00 0.00 O ATOM 502 CB LYS A 33 -2.608 17.361 3.690 1.00 0.00 C ATOM 503 CG LYS A 33 -3.096 18.810 3.749 1.00 0.00 C ATOM 504 CD LYS A 33 -2.069 19.760 3.132 1.00 0.00 C ATOM 505 CE LYS A 33 -2.742 20.757 2.187 1.00 0.00 C ATOM 506 NZ LYS A 33 -2.606 22.136 2.706 1.00 0.00 N ATOM 0 H LYS A 33 -1.296 16.807 5.763 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.126 17.001 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.519 17.339 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.914 16.909 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.044 18.900 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.282 19.093 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.546 20.299 3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.319 19.186 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.292 20.689 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.797 20.506 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.068 22.800 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.056 22.201 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.598 22.378 2.789 1.00 0.00 H new ATOM 519 N GLY A 34 -2.753 14.197 5.212 1.00 0.00 N ATOM 520 CA GLY A 34 -2.915 12.770 4.988 1.00 0.00 C ATOM 521 C GLY A 34 -3.502 12.084 6.223 1.00 0.00 C ATOM 522 O GLY A 34 -4.407 11.259 6.107 1.00 0.00 O ATOM 0 H GLY A 34 -2.079 14.441 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.568 12.605 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.950 12.325 4.744 1.00 0.00 H new ATOM 526 N LYS A 35 -2.963 12.451 7.376 1.00 0.00 N ATOM 527 CA LYS A 35 -3.422 11.880 8.632 1.00 0.00 C ATOM 528 C LYS A 35 -4.858 12.338 8.900 1.00 0.00 C ATOM 529 O LYS A 35 -5.584 11.702 9.661 1.00 0.00 O ATOM 530 CB LYS A 35 -2.448 12.218 9.761 1.00 0.00 C ATOM 531 CG LYS A 35 -2.863 13.506 10.477 1.00 0.00 C ATOM 532 CD LYS A 35 -1.700 14.080 11.288 1.00 0.00 C ATOM 533 CE LYS A 35 -2.183 15.183 12.233 1.00 0.00 C ATOM 534 NZ LYS A 35 -1.072 16.102 12.568 1.00 0.00 N ATOM 0 H LYS A 35 -2.213 13.136 7.468 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.440 10.792 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.414 11.395 10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.442 12.330 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.199 14.241 9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.707 13.304 11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.226 13.285 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.943 14.480 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.995 15.740 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.583 14.739 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.417 16.844 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.309 15.569 13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.708 16.539 11.697 1.00 0.00 H new ATOM 547 N ASP A 36 -5.223 13.439 8.259 1.00 0.00 N ATOM 548 CA ASP A 36 -6.559 13.990 8.419 1.00 0.00 C ATOM 549 C ASP A 36 -7.508 13.308 7.431 1.00 0.00 C ATOM 550 O ASP A 36 -8.724 13.463 7.527 1.00 0.00 O ATOM 551 CB ASP A 36 -6.574 15.492 8.129 1.00 0.00 C ATOM 552 CG ASP A 36 -7.910 16.188 8.396 1.00 0.00 C ATOM 553 OD1 ASP A 36 -8.551 16.714 7.473 1.00 0.00 O ATOM 554 OD2 ASP A 36 -8.294 16.179 9.626 1.00 0.00 O ATOM 0 H ASP A 36 -4.618 13.964 7.628 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.874 13.819 9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.804 15.971 8.734 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.302 15.648 7.085 1.00 0.00 H new ATOM 560 N ILE A 37 -6.916 12.569 6.504 1.00 0.00 N ATOM 561 CA ILE A 37 -7.694 11.864 5.500 1.00 0.00 C ATOM 562 C ILE A 37 -7.447 10.360 5.633 1.00 0.00 C ATOM 563 O ILE A 37 -6.315 9.898 5.498 1.00 0.00 O ATOM 564 CB ILE A 37 -7.393 12.415 4.105 1.00 0.00 C ATOM 565 CG1 ILE A 37 -7.409 13.944 4.104 1.00 0.00 C ATOM 566 CG2 ILE A 37 -8.352 11.831 3.065 1.00 0.00 C ATOM 567 CD1 ILE A 37 -7.057 14.497 2.722 1.00 0.00 C ATOM 0 H ILE A 37 -5.907 12.443 6.427 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.760 12.028 5.660 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.387 12.103 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.395 14.301 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.699 14.319 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.116 12.239 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.247 10.746 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.377 12.091 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.076 15.586 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.061 14.159 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.783 14.140 1.992 1.00 0.00 H new ATOM 579 N LYS A 38 -8.526 9.637 5.897 1.00 0.00 N ATOM 580 CA LYS A 38 -8.441 8.194 6.051 1.00 0.00 C ATOM 581 C LYS A 38 -7.995 7.571 4.726 1.00 0.00 C ATOM 582 O LYS A 38 -8.819 7.307 3.852 1.00 0.00 O ATOM 583 CB LYS A 38 -9.762 7.633 6.581 1.00 0.00 C ATOM 584 CG LYS A 38 -10.908 7.914 5.606 1.00 0.00 C ATOM 585 CD LYS A 38 -12.046 8.665 6.302 1.00 0.00 C ATOM 586 CE LYS A 38 -13.016 9.258 5.277 1.00 0.00 C ATOM 587 NZ LYS A 38 -13.850 10.309 5.902 1.00 0.00 N ATOM 0 H LYS A 38 -9.463 10.023 6.008 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.690 7.933 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.668 6.558 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.987 8.078 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.540 8.502 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.282 6.975 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.582 7.987 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.635 9.461 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.458 9.678 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.654 8.472 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.503 10.701 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.396 9.898 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.238 11.067 6.266 1.00 0.00 H new ATOM 600 N GLY A 39 -6.692 7.352 4.621 1.00 0.00 N ATOM 601 CA GLY A 39 -6.128 6.764 3.418 1.00 0.00 C ATOM 602 C GLY A 39 -7.031 5.657 2.872 1.00 0.00 C ATOM 603 O GLY A 39 -7.176 4.606 3.495 1.00 0.00 O ATOM 0 H GLY A 39 -6.012 7.571 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.995 7.536 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.140 6.358 3.636 1.00 0.00 H new ATOM 607 N VAL A 40 -7.616 5.930 1.715 1.00 0.00 N ATOM 608 CA VAL A 40 -8.501 4.970 1.078 1.00 0.00 C ATOM 609 C VAL A 40 -7.903 4.542 -0.263 1.00 0.00 C ATOM 610 O VAL A 40 -7.336 5.363 -0.983 1.00 0.00 O ATOM 611 CB VAL A 40 -9.906 5.562 0.946 1.00 0.00 C ATOM 612 CG1 VAL A 40 -10.820 4.632 0.145 1.00 0.00 C ATOM 613 CG2 VAL A 40 -10.504 5.869 2.320 1.00 0.00 C ATOM 0 H VAL A 40 -7.494 6.803 1.202 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.597 4.074 1.691 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.823 6.502 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.812 5.076 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.407 4.487 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.893 3.669 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.502 6.289 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.566 4.950 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.870 6.587 2.840 1.00 0.00 H new ATOM 623 N SER A 41 -8.050 3.259 -0.558 1.00 0.00 N ATOM 624 CA SER A 41 -7.531 2.713 -1.800 1.00 0.00 C ATOM 625 C SER A 41 -8.340 1.479 -2.207 1.00 0.00 C ATOM 626 O SER A 41 -8.742 0.687 -1.356 1.00 0.00 O ATOM 627 CB SER A 41 -6.050 2.356 -1.668 1.00 0.00 C ATOM 628 OG SER A 41 -5.848 1.205 -0.852 1.00 0.00 O ATOM 0 H SER A 41 -8.521 2.582 0.042 1.00 0.00 H new ATOM 0 HA SER A 41 -7.626 3.474 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.631 2.176 -2.658 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.510 3.202 -1.242 1.00 0.00 H new ATOM 0 HG SER A 41 -6.127 1.402 0.067 1.00 0.00 H new ATOM 634 N GLU A 42 -8.554 1.354 -3.509 1.00 0.00 N ATOM 635 CA GLU A 42 -9.308 0.231 -4.038 1.00 0.00 C ATOM 636 C GLU A 42 -8.375 -0.738 -4.767 1.00 0.00 C ATOM 637 O GLU A 42 -7.486 -0.314 -5.504 1.00 0.00 O ATOM 638 CB GLU A 42 -10.430 0.710 -4.963 1.00 0.00 C ATOM 639 CG GLU A 42 -11.771 0.739 -4.227 1.00 0.00 C ATOM 640 CD GLU A 42 -12.808 1.548 -5.008 1.00 0.00 C ATOM 641 OE1 GLU A 42 -12.439 2.370 -5.861 1.00 0.00 O ATOM 642 OE2 GLU A 42 -14.037 1.299 -4.704 1.00 0.00 O ATOM 0 H GLU A 42 -8.218 2.012 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.770 -0.297 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.196 1.706 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.500 0.050 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.133 -0.279 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.637 1.173 -3.236 1.00 0.00 H new ATOM 650 N ILE A 43 -8.608 -2.022 -4.536 1.00 0.00 N ATOM 651 CA ILE A 43 -7.799 -3.054 -5.161 1.00 0.00 C ATOM 652 C ILE A 43 -8.536 -3.602 -6.384 1.00 0.00 C ATOM 653 O ILE A 43 -9.667 -4.073 -6.273 1.00 0.00 O ATOM 654 CB ILE A 43 -7.419 -4.128 -4.139 1.00 0.00 C ATOM 655 CG1 ILE A 43 -6.477 -3.564 -3.074 1.00 0.00 C ATOM 656 CG2 ILE A 43 -6.830 -5.359 -4.832 1.00 0.00 C ATOM 657 CD1 ILE A 43 -6.707 -4.242 -1.722 1.00 0.00 C ATOM 0 H ILE A 43 -9.346 -2.371 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.857 -2.637 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.326 -4.449 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.443 -3.708 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.634 -2.490 -2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.568 -6.107 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.565 -5.776 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.936 -5.072 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.024 -3.822 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.735 -4.075 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.526 -5.313 -1.816 1.00 0.00 H new ATOM 669 N VAL A 44 -7.865 -3.523 -7.524 1.00 0.00 N ATOM 670 CA VAL A 44 -8.441 -4.006 -8.767 1.00 0.00 C ATOM 671 C VAL A 44 -7.734 -5.297 -9.186 1.00 0.00 C ATOM 672 O VAL A 44 -6.506 -5.363 -9.185 1.00 0.00 O ATOM 673 CB VAL A 44 -8.371 -2.913 -9.835 1.00 0.00 C ATOM 674 CG1 VAL A 44 -9.020 -3.379 -11.140 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.014 -1.616 -9.336 1.00 0.00 C ATOM 0 H VAL A 44 -6.927 -3.131 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.496 -4.243 -8.631 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.319 -2.710 -10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.957 -2.583 -11.882 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.500 -4.263 -11.510 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.067 -3.624 -10.959 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.951 -0.856 -10.114 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.060 -1.799 -9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.489 -1.269 -8.446 1.00 0.00 H new ATOM 685 N GLN A 45 -8.539 -6.289 -9.533 1.00 0.00 N ATOM 686 CA GLN A 45 -8.006 -7.574 -9.953 1.00 0.00 C ATOM 687 C GLN A 45 -8.631 -7.999 -11.283 1.00 0.00 C ATOM 688 O GLN A 45 -9.773 -7.649 -11.576 1.00 0.00 O ATOM 689 CB GLN A 45 -8.228 -8.638 -8.877 1.00 0.00 C ATOM 690 CG GLN A 45 -9.704 -9.035 -8.796 1.00 0.00 C ATOM 691 CD GLN A 45 -9.904 -10.494 -9.215 1.00 0.00 C ATOM 692 OE1 GLN A 45 -9.025 -11.132 -9.773 1.00 0.00 O ATOM 693 NE2 GLN A 45 -11.104 -10.983 -8.918 1.00 0.00 N ATOM 0 H GLN A 45 -9.557 -6.229 -9.532 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.931 -7.470 -10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.623 -9.517 -9.099 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.896 -8.258 -7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.067 -8.892 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.295 -8.384 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.793 -10.394 -8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.336 -11.947 -9.158 1.00 0.00 H new ATOM 702 N ASN A 46 -7.855 -8.749 -12.052 1.00 0.00 N ATOM 703 CA ASN A 46 -8.319 -9.226 -13.343 1.00 0.00 C ATOM 704 C ASN A 46 -7.439 -10.393 -13.798 1.00 0.00 C ATOM 705 O ASN A 46 -6.739 -10.292 -14.804 1.00 0.00 O ATOM 706 CB ASN A 46 -8.227 -8.125 -14.403 1.00 0.00 C ATOM 707 CG ASN A 46 -9.539 -7.343 -14.497 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.606 -7.894 -14.717 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.401 -6.033 -14.317 1.00 0.00 N ATOM 0 H ASN A 46 -6.908 -9.038 -11.805 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.358 -9.536 -13.233 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.411 -7.445 -14.157 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.992 -8.566 -15.372 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.218 -5.424 -14.359 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.478 -5.637 -14.137 1.00 0.00 H new ATOM 716 N GLY A 47 -7.503 -11.472 -13.033 1.00 0.00 N ATOM 717 CA GLY A 47 -6.722 -12.657 -13.343 1.00 0.00 C ATOM 718 C GLY A 47 -5.242 -12.308 -13.516 1.00 0.00 C ATOM 719 O GLY A 47 -4.777 -12.096 -14.635 1.00 0.00 O ATOM 0 H GLY A 47 -8.084 -11.551 -12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.835 -13.391 -12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.100 -13.118 -14.256 1.00 0.00 H new ATOM 723 N LYS A 48 -4.543 -12.258 -12.391 1.00 0.00 N ATOM 724 CA LYS A 48 -3.126 -11.938 -12.404 1.00 0.00 C ATOM 725 C LYS A 48 -2.951 -10.420 -12.491 1.00 0.00 C ATOM 726 O LYS A 48 -2.256 -9.825 -11.669 1.00 0.00 O ATOM 727 CB LYS A 48 -2.414 -12.703 -13.521 1.00 0.00 C ATOM 728 CG LYS A 48 -2.912 -14.147 -13.600 1.00 0.00 C ATOM 729 CD LYS A 48 -1.777 -15.099 -13.983 1.00 0.00 C ATOM 730 CE LYS A 48 -2.200 -16.559 -13.801 1.00 0.00 C ATOM 731 NZ LYS A 48 -2.454 -17.192 -15.114 1.00 0.00 N ATOM 0 H LYS A 48 -4.932 -12.434 -11.465 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.654 -12.262 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.584 -12.203 -14.475 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.338 -12.695 -13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.331 -14.444 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.715 -14.219 -14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.488 -14.927 -15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.901 -14.891 -13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.420 -17.106 -13.271 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.099 -16.610 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.740 -18.182 -14.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.214 -16.679 -15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.587 -17.161 -15.688 1.00 0.00 H new ATOM 744 N HIS A 49 -3.594 -9.839 -13.493 1.00 0.00 N ATOM 745 CA HIS A 49 -3.518 -8.402 -13.697 1.00 0.00 C ATOM 746 C HIS A 49 -4.327 -7.686 -12.614 1.00 0.00 C ATOM 747 O HIS A 49 -5.488 -8.017 -12.381 1.00 0.00 O ATOM 748 CB HIS A 49 -3.963 -8.031 -15.113 1.00 0.00 C ATOM 749 CG HIS A 49 -3.004 -8.470 -16.194 1.00 0.00 C ATOM 750 ND1 HIS A 49 -2.718 -7.693 -17.303 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.269 -9.611 -16.323 1.00 0.00 C ATOM 752 CE1 HIS A 49 -1.849 -8.348 -18.059 1.00 0.00 C ATOM 753 NE2 HIS A 49 -1.572 -9.536 -17.450 1.00 0.00 N ATOM 0 H HIS A 49 -4.170 -10.337 -14.172 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.483 -8.072 -13.605 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -4.939 -8.477 -15.305 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.090 -6.950 -15.171 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.256 -10.436 -15.626 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.433 -8.002 -18.994 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.934 -10.250 -17.802 1.00 0.00 H new ATOM 761 N PHE A 50 -3.681 -6.718 -11.981 1.00 0.00 N ATOM 762 CA PHE A 50 -4.326 -5.953 -10.927 1.00 0.00 C ATOM 763 C PHE A 50 -4.132 -4.450 -11.144 1.00 0.00 C ATOM 764 O PHE A 50 -3.036 -4.004 -11.481 1.00 0.00 O ATOM 765 CB PHE A 50 -3.660 -6.355 -9.610 1.00 0.00 C ATOM 766 CG PHE A 50 -4.404 -7.453 -8.847 1.00 0.00 C ATOM 767 CD1 PHE A 50 -4.554 -8.685 -9.402 1.00 0.00 C ATOM 768 CD2 PHE A 50 -4.915 -7.196 -7.612 1.00 0.00 C ATOM 769 CE1 PHE A 50 -5.245 -9.704 -8.694 1.00 0.00 C ATOM 770 CE2 PHE A 50 -5.605 -8.215 -6.904 1.00 0.00 C ATOM 771 CZ PHE A 50 -5.755 -9.447 -7.460 1.00 0.00 C ATOM 0 H PHE A 50 -2.718 -6.446 -12.177 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.397 -6.158 -10.921 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.645 -6.694 -9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.578 -5.475 -8.972 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.148 -8.889 -10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.796 -6.217 -7.171 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.365 -10.682 -9.135 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.011 -8.012 -5.924 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.280 -10.222 -6.921 1.00 0.00 H new ATOM 781 N LYS A 51 -5.214 -3.712 -10.944 1.00 0.00 N ATOM 782 CA LYS A 51 -5.178 -2.269 -11.114 1.00 0.00 C ATOM 783 C LYS A 51 -5.148 -1.600 -9.739 1.00 0.00 C ATOM 784 O LYS A 51 -5.631 -2.164 -8.759 1.00 0.00 O ATOM 785 CB LYS A 51 -6.336 -1.805 -11.999 1.00 0.00 C ATOM 786 CG LYS A 51 -5.819 -1.217 -13.314 1.00 0.00 C ATOM 787 CD LYS A 51 -6.959 -0.589 -14.119 1.00 0.00 C ATOM 788 CE LYS A 51 -6.435 0.038 -15.413 1.00 0.00 C ATOM 789 NZ LYS A 51 -7.138 1.309 -15.695 1.00 0.00 N ATOM 0 H LYS A 51 -6.121 -4.086 -10.666 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.269 -1.969 -11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.998 -2.645 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.926 -1.057 -11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.058 -0.465 -13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.341 -1.999 -13.903 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.704 -1.349 -14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.458 0.171 -13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.364 0.219 -15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.576 -0.654 -16.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.770 1.721 -16.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.157 1.127 -15.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.982 1.974 -14.911 1.00 0.00 H new ATOM 802 N PHE A 52 -4.576 -0.404 -9.711 1.00 0.00 N ATOM 803 CA PHE A 52 -4.477 0.349 -8.472 1.00 0.00 C ATOM 804 C PHE A 52 -4.838 1.819 -8.694 1.00 0.00 C ATOM 805 O PHE A 52 -4.754 2.321 -9.814 1.00 0.00 O ATOM 806 CB PHE A 52 -3.022 0.258 -8.009 1.00 0.00 C ATOM 807 CG PHE A 52 -2.845 -0.387 -6.634 1.00 0.00 C ATOM 808 CD1 PHE A 52 -3.241 -1.672 -6.430 1.00 0.00 C ATOM 809 CD2 PHE A 52 -2.294 0.323 -5.614 1.00 0.00 C ATOM 810 CE1 PHE A 52 -3.078 -2.273 -5.153 1.00 0.00 C ATOM 811 CE2 PHE A 52 -2.130 -0.275 -4.337 1.00 0.00 C ATOM 812 CZ PHE A 52 -2.525 -1.560 -4.133 1.00 0.00 C ATOM 0 H PHE A 52 -4.177 0.061 -10.526 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.166 -0.059 -7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.453 -0.313 -8.743 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.596 1.261 -7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.680 -2.236 -7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.980 1.344 -5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.392 -3.294 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.692 0.290 -3.528 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.400 -2.015 -3.162 1.00 0.00 H new ATOM 822 N THR A 53 -5.232 2.468 -7.609 1.00 0.00 N ATOM 823 CA THR A 53 -5.606 3.871 -7.671 1.00 0.00 C ATOM 824 C THR A 53 -4.983 4.642 -6.505 1.00 0.00 C ATOM 825 O THR A 53 -4.880 4.119 -5.396 1.00 0.00 O ATOM 826 CB THR A 53 -7.134 3.952 -7.705 1.00 0.00 C ATOM 827 OG1 THR A 53 -7.467 3.640 -9.055 1.00 0.00 O ATOM 828 CG2 THR A 53 -7.649 5.380 -7.514 1.00 0.00 C ATOM 0 H THR A 53 -5.301 2.049 -6.682 1.00 0.00 H new ATOM 0 HA THR A 53 -5.220 4.343 -8.575 1.00 0.00 H new ATOM 0 HB THR A 53 -7.549 3.310 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.440 3.668 -9.167 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.739 5.381 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.314 5.762 -6.549 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.262 6.016 -8.310 1.00 0.00 H new ATOM 836 N ILE A 54 -4.583 5.871 -6.796 1.00 0.00 N ATOM 837 CA ILE A 54 -3.974 6.718 -5.785 1.00 0.00 C ATOM 838 C ILE A 54 -4.927 7.865 -5.444 1.00 0.00 C ATOM 839 O ILE A 54 -5.293 8.652 -6.315 1.00 0.00 O ATOM 840 CB ILE A 54 -2.589 7.185 -6.242 1.00 0.00 C ATOM 841 CG1 ILE A 54 -1.663 5.992 -6.491 1.00 0.00 C ATOM 842 CG2 ILE A 54 -1.989 8.178 -5.245 1.00 0.00 C ATOM 843 CD1 ILE A 54 -0.546 6.360 -7.468 1.00 0.00 C ATOM 0 H ILE A 54 -4.669 6.300 -7.717 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.810 6.156 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.701 7.709 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.231 5.659 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.239 5.157 -6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.006 8.494 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.641 9.048 -5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.893 7.701 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.098 5.495 -7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.981 6.669 -8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.043 7.179 -7.055 1.00 0.00 H new ATOM 855 N THR A 55 -5.301 7.922 -4.175 1.00 0.00 N ATOM 856 CA THR A 55 -6.206 8.960 -3.708 1.00 0.00 C ATOM 857 C THR A 55 -5.451 9.979 -2.851 1.00 0.00 C ATOM 858 O THR A 55 -5.866 10.286 -1.735 1.00 0.00 O ATOM 859 CB THR A 55 -7.361 8.283 -2.969 1.00 0.00 C ATOM 860 OG1 THR A 55 -8.004 7.502 -3.972 1.00 0.00 O ATOM 861 CG2 THR A 55 -8.436 9.278 -2.525 1.00 0.00 C ATOM 0 H THR A 55 -4.995 7.267 -3.455 1.00 0.00 H new ATOM 0 HA THR A 55 -6.622 9.526 -4.541 1.00 0.00 H new ATOM 0 HB THR A 55 -6.974 7.754 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.765 7.027 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.233 8.745 -2.006 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.995 10.015 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.847 9.783 -3.399 1.00 0.00 H new ATOM 869 N ALA A 56 -4.355 10.476 -3.408 1.00 0.00 N ATOM 870 CA ALA A 56 -3.539 11.454 -2.709 1.00 0.00 C ATOM 871 C ALA A 56 -4.120 12.851 -2.935 1.00 0.00 C ATOM 872 O ALA A 56 -4.438 13.219 -4.065 1.00 0.00 O ATOM 873 CB ALA A 56 -2.088 11.341 -3.184 1.00 0.00 C ATOM 0 H ALA A 56 -4.014 10.219 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.546 11.264 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.475 12.075 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.713 10.339 -2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.041 11.529 -4.257 1.00 0.00 H new ATOM 879 N GLY A 57 -4.239 13.591 -1.842 1.00 0.00 N ATOM 880 CA GLY A 57 -4.776 14.939 -1.908 1.00 0.00 C ATOM 881 C GLY A 57 -5.916 15.028 -2.924 1.00 0.00 C ATOM 882 O GLY A 57 -7.030 14.584 -2.653 1.00 0.00 O ATOM 0 H GLY A 57 -3.973 13.283 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.137 15.239 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.984 15.636 -2.183 1.00 0.00 H new ATOM 886 N SER A 58 -5.597 15.605 -4.074 1.00 0.00 N ATOM 887 CA SER A 58 -6.581 15.756 -5.133 1.00 0.00 C ATOM 888 C SER A 58 -5.951 15.419 -6.485 1.00 0.00 C ATOM 889 O SER A 58 -5.658 16.313 -7.278 1.00 0.00 O ATOM 890 CB SER A 58 -7.153 17.175 -5.153 1.00 0.00 C ATOM 891 OG SER A 58 -8.487 17.220 -4.649 1.00 0.00 O ATOM 0 H SER A 58 -4.672 15.973 -4.295 1.00 0.00 H new ATOM 0 HA SER A 58 -7.401 15.064 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.518 17.830 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.138 17.558 -6.173 1.00 0.00 H new ATOM 0 HG SER A 58 -8.816 18.143 -4.677 1.00 0.00 H new ATOM 897 N LYS A 59 -5.760 14.126 -6.708 1.00 0.00 N ATOM 898 CA LYS A 59 -5.170 13.660 -7.951 1.00 0.00 C ATOM 899 C LYS A 59 -5.143 12.131 -7.955 1.00 0.00 C ATOM 900 O LYS A 59 -4.707 11.511 -6.986 1.00 0.00 O ATOM 901 CB LYS A 59 -3.796 14.300 -8.165 1.00 0.00 C ATOM 902 CG LYS A 59 -2.898 14.091 -6.945 1.00 0.00 C ATOM 903 CD LYS A 59 -1.486 14.618 -7.206 1.00 0.00 C ATOM 904 CE LYS A 59 -0.563 14.325 -6.023 1.00 0.00 C ATOM 905 NZ LYS A 59 -0.625 15.422 -5.032 1.00 0.00 N ATOM 0 H LYS A 59 -6.004 13.387 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.777 13.971 -8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.323 13.868 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.913 15.367 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.326 14.601 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.854 13.030 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.083 14.158 -8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.523 15.692 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.853 13.385 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.461 14.203 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.008 15.206 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.327 16.312 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.600 15.520 -4.683 1.00 0.00 H new ATOM 918 N VAL A 60 -5.614 11.566 -9.057 1.00 0.00 N ATOM 919 CA VAL A 60 -5.650 10.121 -9.201 1.00 0.00 C ATOM 920 C VAL A 60 -4.719 9.702 -10.340 1.00 0.00 C ATOM 921 O VAL A 60 -4.478 10.475 -11.266 1.00 0.00 O ATOM 922 CB VAL A 60 -7.092 9.650 -9.404 1.00 0.00 C ATOM 923 CG1 VAL A 60 -7.485 8.616 -8.347 1.00 0.00 C ATOM 924 CG2 VAL A 60 -8.060 10.834 -9.401 1.00 0.00 C ATOM 0 H VAL A 60 -5.974 12.083 -9.859 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.290 9.639 -8.292 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.154 9.170 -10.380 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.514 8.298 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.823 7.753 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.399 9.059 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.078 10.472 -9.547 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.994 11.356 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.799 11.519 -10.208 1.00 0.00 H new ATOM 934 N ILE A 61 -4.219 8.479 -10.235 1.00 0.00 N ATOM 935 CA ILE A 61 -3.319 7.949 -11.245 1.00 0.00 C ATOM 936 C ILE A 61 -3.828 6.583 -11.709 1.00 0.00 C ATOM 937 O ILE A 61 -4.285 5.780 -10.898 1.00 0.00 O ATOM 938 CB ILE A 61 -1.881 7.925 -10.722 1.00 0.00 C ATOM 939 CG1 ILE A 61 -1.381 9.341 -10.428 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.958 7.181 -11.689 1.00 0.00 C ATOM 941 CD1 ILE A 61 -0.258 9.320 -9.390 1.00 0.00 C ATOM 0 H ILE A 61 -4.420 7.840 -9.466 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.304 8.598 -12.121 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.869 7.377 -9.780 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.022 9.802 -11.348 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.206 9.954 -10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.058 7.179 -11.293 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.304 6.154 -11.805 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.969 7.679 -12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.080 10.339 -9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.627 8.880 -8.464 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.575 8.726 -9.767 1.00 0.00 H new ATOM 953 N GLN A 62 -3.731 6.362 -13.011 1.00 0.00 N ATOM 954 CA GLN A 62 -4.176 5.106 -13.592 1.00 0.00 C ATOM 955 C GLN A 62 -2.973 4.274 -14.042 1.00 0.00 C ATOM 956 O GLN A 62 -2.197 4.706 -14.892 1.00 0.00 O ATOM 957 CB GLN A 62 -5.138 5.352 -14.756 1.00 0.00 C ATOM 958 CG GLN A 62 -4.787 6.644 -15.495 1.00 0.00 C ATOM 959 CD GLN A 62 -5.524 6.729 -16.833 1.00 0.00 C ATOM 960 OE1 GLN A 62 -6.396 5.933 -17.143 1.00 0.00 O ATOM 961 NE2 GLN A 62 -5.130 7.737 -17.605 1.00 0.00 N ATOM 0 H GLN A 62 -3.351 7.031 -13.681 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.716 4.546 -12.829 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.099 4.511 -15.448 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.160 5.409 -14.382 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.048 7.503 -14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.711 6.689 -15.665 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.394 8.367 -17.285 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.563 7.880 -18.517 1.00 0.00 H new ATOM 970 N ASN A 63 -2.856 3.094 -13.449 1.00 0.00 N ATOM 971 CA ASN A 63 -1.761 2.197 -13.778 1.00 0.00 C ATOM 972 C ASN A 63 -2.164 0.761 -13.438 1.00 0.00 C ATOM 973 O ASN A 63 -2.833 0.522 -12.433 1.00 0.00 O ATOM 974 CB ASN A 63 -0.507 2.540 -12.970 1.00 0.00 C ATOM 975 CG ASN A 63 0.661 2.890 -13.895 1.00 0.00 C ATOM 976 OD1 ASN A 63 0.493 3.437 -14.972 1.00 0.00 O ATOM 977 ND2 ASN A 63 1.852 2.544 -13.414 1.00 0.00 N ATOM 0 H ASN A 63 -3.501 2.739 -12.743 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.546 2.303 -14.841 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.715 3.380 -12.307 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.235 1.695 -12.338 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.695 2.734 -13.955 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.922 2.088 -12.504 1.00 0.00 H new ATOM 984 N GLU A 64 -1.742 -0.157 -14.295 1.00 0.00 N ATOM 985 CA GLU A 64 -2.051 -1.563 -14.097 1.00 0.00 C ATOM 986 C GLU A 64 -0.761 -2.380 -13.989 1.00 0.00 C ATOM 987 O GLU A 64 0.203 -2.122 -14.708 1.00 0.00 O ATOM 988 CB GLU A 64 -2.941 -2.092 -15.224 1.00 0.00 C ATOM 989 CG GLU A 64 -2.266 -1.916 -16.585 1.00 0.00 C ATOM 990 CD GLU A 64 -3.208 -2.321 -17.721 1.00 0.00 C ATOM 991 OE1 GLU A 64 -4.434 -2.333 -17.535 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.625 -2.630 -18.829 1.00 0.00 O ATOM 0 H GLU A 64 -1.189 0.045 -15.128 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.603 -1.666 -13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.158 -3.147 -15.056 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.895 -1.565 -15.217 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.962 -0.877 -16.713 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.360 -2.520 -16.626 1.00 0.00 H new ATOM 1000 N PHE A 65 -0.785 -3.347 -13.084 1.00 0.00 N ATOM 1001 CA PHE A 65 0.369 -4.204 -12.872 1.00 0.00 C ATOM 1002 C PHE A 65 -0.048 -5.672 -12.773 1.00 0.00 C ATOM 1003 O PHE A 65 -1.141 -5.980 -12.300 1.00 0.00 O ATOM 1004 CB PHE A 65 1.007 -3.775 -11.549 1.00 0.00 C ATOM 1005 CG PHE A 65 0.329 -4.368 -10.312 1.00 0.00 C ATOM 1006 CD1 PHE A 65 0.694 -5.598 -9.860 1.00 0.00 C ATOM 1007 CD2 PHE A 65 -0.638 -3.665 -9.663 1.00 0.00 C ATOM 1008 CE1 PHE A 65 0.067 -6.148 -8.712 1.00 0.00 C ATOM 1009 CE2 PHE A 65 -1.266 -4.216 -8.514 1.00 0.00 C ATOM 1010 CZ PHE A 65 -0.901 -5.445 -8.063 1.00 0.00 C ATOM 0 H PHE A 65 -1.586 -3.556 -12.489 1.00 0.00 H new ATOM 0 HA PHE A 65 1.062 -4.108 -13.708 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.057 -4.068 -11.551 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.980 -2.688 -11.480 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.462 -6.156 -10.375 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.928 -2.688 -10.021 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.358 -7.124 -8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.034 -3.658 -7.999 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.379 -5.864 -7.190 1.00 0.00 H new ATOM 1020 N THR A 66 0.845 -6.540 -13.226 1.00 0.00 N ATOM 1021 CA THR A 66 0.583 -7.968 -13.192 1.00 0.00 C ATOM 1022 C THR A 66 1.583 -8.673 -12.273 1.00 0.00 C ATOM 1023 O THR A 66 2.690 -8.180 -12.058 1.00 0.00 O ATOM 1024 CB THR A 66 0.612 -8.488 -14.632 1.00 0.00 C ATOM 1025 OG1 THR A 66 -0.567 -7.946 -15.220 1.00 0.00 O ATOM 1026 CG2 THR A 66 0.408 -10.001 -14.713 1.00 0.00 C ATOM 0 H THR A 66 1.750 -6.281 -13.618 1.00 0.00 H new ATOM 0 HA THR A 66 -0.401 -8.179 -12.773 1.00 0.00 H new ATOM 0 HB THR A 66 1.564 -8.226 -15.093 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.322 -7.378 -15.980 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.437 -10.317 -15.756 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.200 -10.505 -14.159 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.559 -10.261 -14.282 1.00 0.00 H new ATOM 1034 N VAL A 67 1.157 -9.815 -11.753 1.00 0.00 N ATOM 1035 CA VAL A 67 2.000 -10.592 -10.860 1.00 0.00 C ATOM 1036 C VAL A 67 2.946 -11.464 -11.690 1.00 0.00 C ATOM 1037 O VAL A 67 3.154 -11.205 -12.874 1.00 0.00 O ATOM 1038 CB VAL A 67 1.134 -11.402 -9.895 1.00 0.00 C ATOM 1039 CG1 VAL A 67 0.727 -12.740 -10.513 1.00 0.00 C ATOM 1040 CG2 VAL A 67 1.850 -11.610 -8.559 1.00 0.00 C ATOM 0 H VAL A 67 0.239 -10.221 -11.933 1.00 0.00 H new ATOM 0 HA VAL A 67 2.616 -9.934 -10.248 1.00 0.00 H new ATOM 0 HB VAL A 67 0.225 -10.832 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.112 -13.296 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.159 -12.561 -11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.620 -13.318 -10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.212 -12.189 -7.891 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.783 -12.148 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.065 -10.642 -8.107 1.00 0.00 H new ATOM 1050 N GLY A 68 3.493 -12.476 -11.035 1.00 0.00 N ATOM 1051 CA GLY A 68 4.411 -13.387 -11.697 1.00 0.00 C ATOM 1052 C GLY A 68 5.801 -12.761 -11.835 1.00 0.00 C ATOM 1053 O GLY A 68 6.801 -13.378 -11.473 1.00 0.00 O ATOM 0 H GLY A 68 3.318 -12.686 -10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.481 -14.315 -11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.025 -13.645 -12.683 1.00 0.00 H new ATOM 1057 N GLU A 69 5.817 -11.545 -12.358 1.00 0.00 N ATOM 1058 CA GLU A 69 7.066 -10.828 -12.549 1.00 0.00 C ATOM 1059 C GLU A 69 7.005 -9.462 -11.861 1.00 0.00 C ATOM 1060 O GLU A 69 5.940 -9.029 -11.426 1.00 0.00 O ATOM 1061 CB GLU A 69 7.392 -10.679 -14.036 1.00 0.00 C ATOM 1062 CG GLU A 69 6.246 -9.992 -14.781 1.00 0.00 C ATOM 1063 CD GLU A 69 6.598 -9.784 -16.256 1.00 0.00 C ATOM 1064 OE1 GLU A 69 7.335 -8.846 -16.592 1.00 0.00 O ATOM 1065 OE2 GLU A 69 6.075 -10.641 -17.067 1.00 0.00 O ATOM 0 H GLU A 69 4.984 -11.037 -12.656 1.00 0.00 H new ATOM 0 HA GLU A 69 7.868 -11.408 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.307 -10.099 -14.155 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.577 -11.661 -14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.342 -10.595 -14.701 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.030 -9.030 -14.316 1.00 0.00 H new ATOM 1073 N GLU A 70 8.163 -8.822 -11.784 1.00 0.00 N ATOM 1074 CA GLU A 70 8.254 -7.515 -11.155 1.00 0.00 C ATOM 1075 C GLU A 70 7.822 -6.424 -12.137 1.00 0.00 C ATOM 1076 O GLU A 70 8.349 -6.334 -13.244 1.00 0.00 O ATOM 1077 CB GLU A 70 9.670 -7.255 -10.636 1.00 0.00 C ATOM 1078 CG GLU A 70 10.565 -6.690 -11.740 1.00 0.00 C ATOM 1079 CD GLU A 70 12.040 -6.759 -11.340 1.00 0.00 C ATOM 1080 OE1 GLU A 70 12.356 -6.799 -10.141 1.00 0.00 O ATOM 1081 OE2 GLU A 70 12.873 -6.769 -12.325 1.00 0.00 O ATOM 0 H GLU A 70 9.045 -9.184 -12.146 1.00 0.00 H new ATOM 0 HA GLU A 70 7.579 -7.496 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.632 -6.556 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.098 -8.183 -10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.408 -7.250 -12.662 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.288 -5.656 -11.944 1.00 0.00 H new ATOM 1089 N CYS A 71 6.865 -5.621 -11.695 1.00 0.00 N ATOM 1090 CA CYS A 71 6.354 -4.540 -12.520 1.00 0.00 C ATOM 1091 C CYS A 71 6.896 -3.219 -11.969 1.00 0.00 C ATOM 1092 O CYS A 71 7.382 -3.166 -10.840 1.00 0.00 O ATOM 1093 CB CYS A 71 4.826 -4.548 -12.582 1.00 0.00 C ATOM 1094 SG CYS A 71 4.251 -5.902 -13.672 1.00 0.00 S ATOM 0 H CYS A 71 6.430 -5.698 -10.776 1.00 0.00 H new ATOM 0 HA CYS A 71 6.694 -4.672 -13.547 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.414 -4.676 -11.581 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.464 -3.590 -12.956 1.00 0.00 H new ATOM 0 HG CYS A 71 3.647 -6.806 -12.959 1.00 0.00 H new ATOM 1100 N GLU A 72 6.793 -2.185 -12.791 1.00 0.00 N ATOM 1101 CA GLU A 72 7.268 -0.868 -12.401 1.00 0.00 C ATOM 1102 C GLU A 72 6.168 -0.110 -11.651 1.00 0.00 C ATOM 1103 O GLU A 72 4.988 -0.247 -11.969 1.00 0.00 O ATOM 1104 CB GLU A 72 7.748 -0.075 -13.617 1.00 0.00 C ATOM 1105 CG GLU A 72 6.594 0.200 -14.583 1.00 0.00 C ATOM 1106 CD GLU A 72 6.585 1.666 -15.022 1.00 0.00 C ATOM 1107 OE1 GLU A 72 7.314 2.039 -15.955 1.00 0.00 O ATOM 1108 OE2 GLU A 72 5.783 2.428 -14.359 1.00 0.00 O ATOM 0 H GLU A 72 6.387 -2.232 -13.726 1.00 0.00 H new ATOM 0 HA GLU A 72 8.120 -0.993 -11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.186 0.868 -13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.533 -0.630 -14.131 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.685 -0.445 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.647 -0.046 -14.103 1.00 0.00 H new ATOM 1116 N LEU A 73 6.597 0.671 -10.672 1.00 0.00 N ATOM 1117 CA LEU A 73 5.666 1.452 -9.875 1.00 0.00 C ATOM 1118 C LEU A 73 6.183 2.885 -9.750 1.00 0.00 C ATOM 1119 O LEU A 73 7.392 3.112 -9.713 1.00 0.00 O ATOM 1120 CB LEU A 73 5.411 0.770 -8.528 1.00 0.00 C ATOM 1121 CG LEU A 73 4.517 -0.472 -8.564 1.00 0.00 C ATOM 1122 CD1 LEU A 73 4.156 -0.927 -7.149 1.00 0.00 C ATOM 1123 CD2 LEU A 73 3.275 -0.228 -9.422 1.00 0.00 C ATOM 0 H LEU A 73 7.577 0.780 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 73 4.696 1.506 -10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.372 0.489 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.960 1.498 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 73 5.076 -1.283 -9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.520 -1.811 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.067 -1.167 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.623 -0.127 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.657 -1.126 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.703 0.602 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.578 0.014 -10.441 1.00 0.00 H new ATOM 1135 N GLU A 74 5.244 3.817 -9.688 1.00 0.00 N ATOM 1136 CA GLU A 74 5.590 5.224 -9.567 1.00 0.00 C ATOM 1137 C GLU A 74 5.370 5.704 -8.132 1.00 0.00 C ATOM 1138 O GLU A 74 4.234 5.783 -7.667 1.00 0.00 O ATOM 1139 CB GLU A 74 4.789 6.072 -10.558 1.00 0.00 C ATOM 1140 CG GLU A 74 5.486 6.130 -11.918 1.00 0.00 C ATOM 1141 CD GLU A 74 4.845 7.190 -12.817 1.00 0.00 C ATOM 1142 OE1 GLU A 74 3.636 7.441 -12.715 1.00 0.00 O ATOM 1143 OE2 GLU A 74 5.653 7.762 -13.645 1.00 0.00 O ATOM 0 H GLU A 74 4.243 3.626 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 74 6.646 5.340 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.789 5.654 -10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.668 7.081 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.543 6.356 -11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.429 5.155 -12.402 1.00 0.00 H new ATOM 1151 N THR A 75 6.476 6.011 -7.469 1.00 0.00 N ATOM 1152 CA THR A 75 6.419 6.481 -6.096 1.00 0.00 C ATOM 1153 C THR A 75 5.538 7.728 -5.994 1.00 0.00 C ATOM 1154 O THR A 75 4.330 7.625 -5.789 1.00 0.00 O ATOM 1155 CB THR A 75 7.852 6.709 -5.613 1.00 0.00 C ATOM 1156 OG1 THR A 75 8.348 5.397 -5.364 1.00 0.00 O ATOM 1157 CG2 THR A 75 7.909 7.395 -4.247 1.00 0.00 C ATOM 0 H THR A 75 7.417 5.943 -7.858 1.00 0.00 H new ATOM 0 HA THR A 75 5.956 5.740 -5.445 1.00 0.00 H new ATOM 0 HB THR A 75 8.388 7.314 -6.344 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.274 5.452 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.949 7.533 -3.952 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.417 8.366 -4.307 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.401 6.776 -3.508 1.00 0.00 H new ATOM 1165 N MET A 76 6.178 8.879 -6.144 1.00 0.00 N ATOM 1166 CA MET A 76 5.468 10.145 -6.073 1.00 0.00 C ATOM 1167 C MET A 76 6.432 11.324 -6.227 1.00 0.00 C ATOM 1168 O MET A 76 6.077 12.346 -6.811 1.00 0.00 O ATOM 1169 CB MET A 76 4.746 10.249 -4.728 1.00 0.00 C ATOM 1170 CG MET A 76 3.232 10.359 -4.926 1.00 0.00 C ATOM 1171 SD MET A 76 2.399 10.238 -3.352 1.00 0.00 S ATOM 1172 CE MET A 76 3.118 8.723 -2.738 1.00 0.00 C ATOM 0 H MET A 76 7.180 8.961 -6.314 1.00 0.00 H new ATOM 0 HA MET A 76 4.746 10.182 -6.888 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.974 9.374 -4.120 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.109 11.120 -4.182 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.988 11.308 -5.404 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.886 9.568 -5.592 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.499 8.326 -1.933 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.174 7.993 -3.546 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.120 8.923 -2.359 1.00 0.00 H new ATOM 1182 N THR A 77 7.631 11.140 -5.695 1.00 0.00 N ATOM 1183 CA THR A 77 8.648 12.175 -5.767 1.00 0.00 C ATOM 1184 C THR A 77 9.393 12.099 -7.101 1.00 0.00 C ATOM 1185 O THR A 77 10.389 12.791 -7.300 1.00 0.00 O ATOM 1186 CB THR A 77 9.563 12.023 -4.551 1.00 0.00 C ATOM 1187 OG1 THR A 77 9.857 10.629 -4.508 1.00 0.00 O ATOM 1188 CG2 THR A 77 8.835 12.291 -3.232 1.00 0.00 C ATOM 0 H THR A 77 7.921 10.290 -5.212 1.00 0.00 H new ATOM 0 HA THR A 77 8.203 13.170 -5.735 1.00 0.00 H new ATOM 0 HB THR A 77 10.407 12.707 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.448 10.443 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.530 12.169 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.444 13.309 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.011 11.586 -3.121 1.00 0.00 H new ATOM 1196 N GLY A 78 8.879 11.252 -7.982 1.00 0.00 N ATOM 1197 CA GLY A 78 9.484 11.077 -9.292 1.00 0.00 C ATOM 1198 C GLY A 78 10.481 9.917 -9.285 1.00 0.00 C ATOM 1199 O GLY A 78 11.586 10.041 -9.808 1.00 0.00 O ATOM 0 H GLY A 78 8.051 10.680 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.707 10.889 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.991 11.995 -9.588 1.00 0.00 H new ATOM 1203 N GLU A 79 10.054 8.814 -8.686 1.00 0.00 N ATOM 1204 CA GLU A 79 10.896 7.633 -8.604 1.00 0.00 C ATOM 1205 C GLU A 79 10.125 6.398 -9.075 1.00 0.00 C ATOM 1206 O GLU A 79 8.997 6.164 -8.645 1.00 0.00 O ATOM 1207 CB GLU A 79 11.429 7.437 -7.183 1.00 0.00 C ATOM 1208 CG GLU A 79 12.555 8.427 -6.879 1.00 0.00 C ATOM 1209 CD GLU A 79 13.870 7.694 -6.608 1.00 0.00 C ATOM 1210 OE1 GLU A 79 14.137 6.652 -7.225 1.00 0.00 O ATOM 1211 OE2 GLU A 79 14.630 8.245 -5.723 1.00 0.00 O ATOM 0 H GLU A 79 9.136 8.714 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 79 11.753 7.776 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.619 7.570 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.795 6.417 -7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.681 9.109 -7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.287 9.033 -6.014 1.00 0.00 H new ATOM 1219 N LYS A 80 10.764 5.642 -9.955 1.00 0.00 N ATOM 1220 CA LYS A 80 10.153 4.437 -10.490 1.00 0.00 C ATOM 1221 C LYS A 80 10.931 3.214 -9.999 1.00 0.00 C ATOM 1222 O LYS A 80 12.123 3.081 -10.272 1.00 0.00 O ATOM 1223 CB LYS A 80 10.042 4.523 -12.014 1.00 0.00 C ATOM 1224 CG LYS A 80 11.409 4.780 -12.650 1.00 0.00 C ATOM 1225 CD LYS A 80 11.297 4.870 -14.173 1.00 0.00 C ATOM 1226 CE LYS A 80 12.639 5.257 -14.799 1.00 0.00 C ATOM 1227 NZ LYS A 80 13.181 4.134 -15.597 1.00 0.00 N ATOM 0 H LYS A 80 11.699 5.840 -10.311 1.00 0.00 H new ATOM 0 HA LYS A 80 9.131 4.334 -10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.624 3.595 -12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.354 5.323 -12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.828 5.706 -12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.097 3.979 -12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.967 3.912 -14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.540 5.606 -14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.512 6.134 -15.434 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.347 5.530 -14.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.092 4.413 -16.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.321 3.307 -14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.512 3.892 -16.355 1.00 0.00 H new ATOM 1240 N VAL A 81 10.225 2.352 -9.283 1.00 0.00 N ATOM 1241 CA VAL A 81 10.835 1.144 -8.751 1.00 0.00 C ATOM 1242 C VAL A 81 10.078 -0.077 -9.277 1.00 0.00 C ATOM 1243 O VAL A 81 8.870 -0.016 -9.498 1.00 0.00 O ATOM 1244 CB VAL A 81 10.877 1.209 -7.223 1.00 0.00 C ATOM 1245 CG1 VAL A 81 12.113 1.972 -6.741 1.00 0.00 C ATOM 1246 CG2 VAL A 81 9.595 1.831 -6.664 1.00 0.00 C ATOM 0 H VAL A 81 9.237 2.465 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 81 11.868 1.056 -9.088 1.00 0.00 H new ATOM 0 HB VAL A 81 10.945 0.189 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.119 2.004 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.013 1.468 -7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.089 2.989 -7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.651 1.865 -5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.482 2.843 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.738 1.229 -6.964 1.00 0.00 H new ATOM 1256 N LYS A 82 10.821 -1.159 -9.461 1.00 0.00 N ATOM 1257 CA LYS A 82 10.236 -2.394 -9.957 1.00 0.00 C ATOM 1258 C LYS A 82 10.019 -3.355 -8.787 1.00 0.00 C ATOM 1259 O LYS A 82 10.979 -3.872 -8.217 1.00 0.00 O ATOM 1260 CB LYS A 82 11.091 -2.978 -11.083 1.00 0.00 C ATOM 1261 CG LYS A 82 10.487 -2.660 -12.452 1.00 0.00 C ATOM 1262 CD LYS A 82 11.110 -1.395 -13.047 1.00 0.00 C ATOM 1263 CE LYS A 82 12.508 -1.680 -13.598 1.00 0.00 C ATOM 1264 NZ LYS A 82 13.459 -0.630 -13.169 1.00 0.00 N ATOM 0 H LYS A 82 11.823 -1.206 -9.276 1.00 0.00 H new ATOM 0 HA LYS A 82 9.258 -2.202 -10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.101 -2.573 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.173 -4.058 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.646 -3.500 -13.128 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.409 -2.528 -12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.472 -1.011 -13.844 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.167 -0.620 -12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.851 -2.654 -13.249 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.474 -1.725 -14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.403 -0.839 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.139 0.294 -13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.504 -0.606 -12.130 1.00 0.00 H new ATOM 1277 N THR A 83 8.752 -3.567 -8.464 1.00 0.00 N ATOM 1278 CA THR A 83 8.397 -4.457 -7.372 1.00 0.00 C ATOM 1279 C THR A 83 7.826 -5.768 -7.918 1.00 0.00 C ATOM 1280 O THR A 83 7.291 -5.803 -9.024 1.00 0.00 O ATOM 1281 CB THR A 83 7.431 -3.712 -6.448 1.00 0.00 C ATOM 1282 OG1 THR A 83 6.727 -4.750 -5.771 1.00 0.00 O ATOM 1283 CG2 THR A 83 6.341 -2.965 -7.220 1.00 0.00 C ATOM 0 H THR A 83 7.958 -3.138 -8.939 1.00 0.00 H new ATOM 0 HA THR A 83 9.274 -4.738 -6.789 1.00 0.00 H new ATOM 0 HB THR A 83 7.989 -3.006 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.292 -5.118 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.683 -2.454 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.802 -2.233 -7.884 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.761 -3.675 -7.809 1.00 0.00 H new ATOM 1291 N VAL A 84 7.959 -6.814 -7.115 1.00 0.00 N ATOM 1292 CA VAL A 84 7.464 -8.123 -7.504 1.00 0.00 C ATOM 1293 C VAL A 84 6.444 -8.605 -6.470 1.00 0.00 C ATOM 1294 O VAL A 84 6.572 -8.310 -5.283 1.00 0.00 O ATOM 1295 CB VAL A 84 8.633 -9.093 -7.687 1.00 0.00 C ATOM 1296 CG1 VAL A 84 9.152 -9.586 -6.334 1.00 0.00 C ATOM 1297 CG2 VAL A 84 8.237 -10.267 -8.584 1.00 0.00 C ATOM 0 H VAL A 84 8.402 -6.781 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 84 6.953 -8.067 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 84 9.442 -8.554 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.983 -10.274 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.492 -8.736 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.351 -10.100 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.086 -10.941 -8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.404 -10.806 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.938 -9.892 -9.563 1.00 0.00 H new ATOM 1307 N VAL A 85 5.454 -9.337 -6.959 1.00 0.00 N ATOM 1308 CA VAL A 85 4.412 -9.862 -6.092 1.00 0.00 C ATOM 1309 C VAL A 85 4.429 -11.391 -6.151 1.00 0.00 C ATOM 1310 O VAL A 85 4.378 -11.975 -7.232 1.00 0.00 O ATOM 1311 CB VAL A 85 3.058 -9.264 -6.478 1.00 0.00 C ATOM 1312 CG1 VAL A 85 1.940 -9.827 -5.600 1.00 0.00 C ATOM 1313 CG2 VAL A 85 3.094 -7.736 -6.408 1.00 0.00 C ATOM 0 H VAL A 85 5.351 -9.579 -7.944 1.00 0.00 H new ATOM 0 HA VAL A 85 4.595 -9.574 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 85 2.848 -9.547 -7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.988 -9.385 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.891 -10.909 -5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.142 -9.588 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.119 -7.336 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.337 -7.424 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.851 -7.358 -7.095 1.00 0.00 H new ATOM 1323 N GLN A 86 4.499 -11.996 -4.974 1.00 0.00 N ATOM 1324 CA GLN A 86 4.523 -13.446 -4.879 1.00 0.00 C ATOM 1325 C GLN A 86 3.310 -13.946 -4.093 1.00 0.00 C ATOM 1326 O GLN A 86 2.763 -13.223 -3.260 1.00 0.00 O ATOM 1327 CB GLN A 86 5.827 -13.932 -4.242 1.00 0.00 C ATOM 1328 CG GLN A 86 6.639 -14.772 -5.228 1.00 0.00 C ATOM 1329 CD GLN A 86 7.980 -15.188 -4.619 1.00 0.00 C ATOM 1330 OE1 GLN A 86 8.323 -14.831 -3.505 1.00 0.00 O ATOM 1331 NE2 GLN A 86 8.718 -15.961 -5.412 1.00 0.00 N ATOM 0 H GLN A 86 4.540 -11.509 -4.079 1.00 0.00 H new ATOM 0 HA GLN A 86 4.474 -13.858 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.418 -13.076 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.604 -14.523 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.072 -15.660 -5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.811 -14.202 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.371 -16.224 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.630 -16.291 -5.097 1.00 0.00 H new ATOM 1340 N LEU A 87 2.922 -15.179 -4.386 1.00 0.00 N ATOM 1341 CA LEU A 87 1.782 -15.784 -3.718 1.00 0.00 C ATOM 1342 C LEU A 87 2.278 -16.837 -2.726 1.00 0.00 C ATOM 1343 O LEU A 87 3.230 -17.563 -3.010 1.00 0.00 O ATOM 1344 CB LEU A 87 0.785 -16.326 -4.744 1.00 0.00 C ATOM 1345 CG LEU A 87 1.042 -17.751 -5.240 1.00 0.00 C ATOM 1346 CD1 LEU A 87 0.613 -18.781 -4.195 1.00 0.00 C ATOM 1347 CD2 LEU A 87 0.368 -17.990 -6.592 1.00 0.00 C ATOM 0 H LEU A 87 3.377 -15.775 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 87 1.236 -15.036 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.213 -16.289 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.780 -15.658 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 87 2.115 -17.873 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.806 -19.785 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.178 -18.624 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.452 -18.669 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.566 -19.010 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.708 -17.843 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.765 -17.288 -7.325 1.00 0.00 H new ATOM 1359 N GLU A 88 1.612 -16.887 -1.582 1.00 0.00 N ATOM 1360 CA GLU A 88 1.973 -17.839 -0.545 1.00 0.00 C ATOM 1361 C GLU A 88 0.722 -18.327 0.186 1.00 0.00 C ATOM 1362 O GLU A 88 -0.311 -17.660 0.171 1.00 0.00 O ATOM 1363 CB GLU A 88 2.979 -17.229 0.433 1.00 0.00 C ATOM 1364 CG GLU A 88 4.322 -17.958 0.366 1.00 0.00 C ATOM 1365 CD GLU A 88 5.064 -17.620 -0.929 1.00 0.00 C ATOM 1366 OE1 GLU A 88 5.330 -16.440 -1.201 1.00 0.00 O ATOM 1367 OE2 GLU A 88 5.368 -18.636 -1.665 1.00 0.00 O ATOM 0 H GLU A 88 0.823 -16.283 -1.350 1.00 0.00 H new ATOM 0 HA GLU A 88 2.451 -18.697 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.122 -16.174 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.583 -17.282 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.934 -17.680 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.159 -19.034 0.426 1.00 0.00 H new ATOM 1375 N GLY A 89 0.855 -19.488 0.810 1.00 0.00 N ATOM 1376 CA GLY A 89 -0.252 -20.075 1.547 1.00 0.00 C ATOM 1377 C GLY A 89 -1.459 -20.301 0.635 1.00 0.00 C ATOM 1378 O GLY A 89 -1.367 -21.027 -0.354 1.00 0.00 O ATOM 0 H GLY A 89 1.713 -20.039 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.060 -21.023 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.532 -19.420 2.372 1.00 0.00 H new ATOM 1382 N ASP A 90 -2.563 -19.665 0.999 1.00 0.00 N ATOM 1383 CA ASP A 90 -3.787 -19.788 0.225 1.00 0.00 C ATOM 1384 C ASP A 90 -4.224 -18.402 -0.253 1.00 0.00 C ATOM 1385 O ASP A 90 -4.654 -18.241 -1.393 1.00 0.00 O ATOM 1386 CB ASP A 90 -4.917 -20.375 1.072 1.00 0.00 C ATOM 1387 CG ASP A 90 -5.074 -21.894 0.978 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -4.860 -22.493 -0.086 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -5.437 -22.473 2.071 1.00 0.00 O ATOM 0 H ASP A 90 -2.636 -19.063 1.819 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.588 -20.449 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.746 -20.106 2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.855 -19.909 0.772 1.00 0.00 H new ATOM 1395 N ASN A 91 -4.101 -17.436 0.646 1.00 0.00 N ATOM 1396 CA ASN A 91 -4.478 -16.068 0.331 1.00 0.00 C ATOM 1397 C ASN A 91 -3.430 -15.110 0.900 1.00 0.00 C ATOM 1398 O ASN A 91 -3.772 -14.148 1.587 1.00 0.00 O ATOM 1399 CB ASN A 91 -5.831 -15.714 0.952 1.00 0.00 C ATOM 1400 CG ASN A 91 -6.926 -16.663 0.463 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -7.338 -16.637 -0.686 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -7.371 -17.501 1.395 1.00 0.00 N ATOM 0 H ASN A 91 -3.746 -17.573 1.592 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.544 -15.977 -0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.760 -15.764 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.094 -14.688 0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.101 -18.176 1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.982 -17.469 2.337 1.00 0.00 H new ATOM 1409 N LYS A 92 -2.176 -15.406 0.595 1.00 0.00 N ATOM 1410 CA LYS A 92 -1.076 -14.583 1.068 1.00 0.00 C ATOM 1411 C LYS A 92 -0.314 -14.019 -0.134 1.00 0.00 C ATOM 1412 O LYS A 92 -0.192 -14.681 -1.163 1.00 0.00 O ATOM 1413 CB LYS A 92 -0.195 -15.372 2.039 1.00 0.00 C ATOM 1414 CG LYS A 92 -1.048 -16.157 3.037 1.00 0.00 C ATOM 1415 CD LYS A 92 -0.489 -16.030 4.455 1.00 0.00 C ATOM 1416 CE LYS A 92 0.158 -17.340 4.909 1.00 0.00 C ATOM 1417 NZ LYS A 92 -0.037 -17.539 6.363 1.00 0.00 N ATOM 0 H LYS A 92 -1.897 -16.205 0.026 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.453 -13.732 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.443 -16.058 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.463 -14.689 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.074 -15.789 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.079 -17.207 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.246 -15.226 4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.290 -15.759 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.276 -18.176 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.223 -17.326 4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.408 -18.433 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.398 -16.750 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.055 -17.574 6.575 1.00 0.00 H new ATOM 1430 N LEU A 93 0.180 -12.801 0.038 1.00 0.00 N ATOM 1431 CA LEU A 93 0.927 -12.141 -1.019 1.00 0.00 C ATOM 1432 C LEU A 93 2.244 -11.609 -0.451 1.00 0.00 C ATOM 1433 O LEU A 93 2.249 -10.895 0.550 1.00 0.00 O ATOM 1434 CB LEU A 93 0.068 -11.067 -1.691 1.00 0.00 C ATOM 1435 CG LEU A 93 -0.463 -11.408 -3.084 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -1.704 -12.298 -2.996 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -0.725 -10.138 -3.897 1.00 0.00 C ATOM 0 H LEU A 93 0.077 -12.255 0.893 1.00 0.00 H new ATOM 0 HA LEU A 93 1.183 -12.851 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.781 -10.851 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.656 -10.152 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 93 0.303 -11.976 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.061 -12.525 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.451 -13.226 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.486 -11.778 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.102 -10.409 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.463 -9.523 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.203 -9.577 -4.005 1.00 0.00 H new ATOM 1449 N VAL A 94 3.329 -11.978 -1.114 1.00 0.00 N ATOM 1450 CA VAL A 94 4.649 -11.547 -0.688 1.00 0.00 C ATOM 1451 C VAL A 94 5.278 -10.682 -1.783 1.00 0.00 C ATOM 1452 O VAL A 94 5.521 -11.157 -2.892 1.00 0.00 O ATOM 1453 CB VAL A 94 5.504 -12.762 -0.323 1.00 0.00 C ATOM 1454 CG1 VAL A 94 6.805 -12.333 0.361 1.00 0.00 C ATOM 1455 CG2 VAL A 94 4.721 -13.740 0.555 1.00 0.00 C ATOM 0 H VAL A 94 3.321 -12.571 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 94 4.578 -10.934 0.210 1.00 0.00 H new ATOM 0 HB VAL A 94 5.765 -13.276 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.394 -13.216 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.376 -11.694 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.572 -11.783 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.352 -14.594 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.415 -13.240 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.837 -14.084 0.018 1.00 0.00 H new ATOM 1465 N THR A 95 5.523 -9.427 -1.434 1.00 0.00 N ATOM 1466 CA THR A 95 6.117 -8.491 -2.373 1.00 0.00 C ATOM 1467 C THR A 95 7.247 -7.709 -1.702 1.00 0.00 C ATOM 1468 O THR A 95 7.188 -7.429 -0.507 1.00 0.00 O ATOM 1469 CB THR A 95 5.002 -7.599 -2.921 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.573 -6.294 -2.930 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.819 -7.481 -1.958 1.00 0.00 C ATOM 0 H THR A 95 5.321 -9.037 -0.514 1.00 0.00 H new ATOM 0 HA THR A 95 6.578 -9.011 -3.213 1.00 0.00 H new ATOM 0 HB THR A 95 4.655 -7.997 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.917 -5.652 -3.273 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.056 -6.837 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.398 -8.470 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.159 -7.052 -1.015 1.00 0.00 H new ATOM 1479 N THR A 96 8.250 -7.377 -2.502 1.00 0.00 N ATOM 1480 CA THR A 96 9.392 -6.631 -2.001 1.00 0.00 C ATOM 1481 C THR A 96 9.586 -5.347 -2.808 1.00 0.00 C ATOM 1482 O THR A 96 9.119 -5.245 -3.942 1.00 0.00 O ATOM 1483 CB THR A 96 10.610 -7.557 -2.030 1.00 0.00 C ATOM 1484 OG1 THR A 96 10.082 -8.837 -1.692 1.00 0.00 O ATOM 1485 CG2 THR A 96 11.603 -7.254 -0.906 1.00 0.00 C ATOM 0 H THR A 96 8.295 -7.611 -3.494 1.00 0.00 H new ATOM 0 HA THR A 96 9.234 -6.309 -0.972 1.00 0.00 H new ATOM 0 HB THR A 96 11.113 -7.465 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.805 -9.499 -1.689 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.448 -7.939 -0.973 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.959 -6.228 -1.002 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.110 -7.378 0.058 1.00 0.00 H new ATOM 1493 N PHE A 97 10.274 -4.397 -2.192 1.00 0.00 N ATOM 1494 CA PHE A 97 10.536 -3.123 -2.839 1.00 0.00 C ATOM 1495 C PHE A 97 12.032 -2.934 -3.095 1.00 0.00 C ATOM 1496 O PHE A 97 12.849 -3.732 -2.637 1.00 0.00 O ATOM 1497 CB PHE A 97 10.052 -2.029 -1.885 1.00 0.00 C ATOM 1498 CG PHE A 97 8.983 -1.110 -2.481 1.00 0.00 C ATOM 1499 CD1 PHE A 97 8.990 -0.834 -3.812 1.00 0.00 C ATOM 1500 CD2 PHE A 97 8.026 -0.571 -1.679 1.00 0.00 C ATOM 1501 CE1 PHE A 97 7.998 0.018 -4.365 1.00 0.00 C ATOM 1502 CE2 PHE A 97 7.035 0.281 -2.232 1.00 0.00 C ATOM 1503 CZ PHE A 97 7.042 0.559 -3.564 1.00 0.00 C ATOM 0 H PHE A 97 10.658 -4.484 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 97 10.023 -3.082 -3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.653 -2.497 -0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 97 10.906 -1.425 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 97 9.750 -1.263 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 97 8.020 -0.791 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 97 8.003 0.236 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.275 0.709 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.289 1.209 -3.984 1.00 0.00 H new ATOM 1513 N LYS A 98 12.347 -1.874 -3.824 1.00 0.00 N ATOM 1514 CA LYS A 98 13.730 -1.570 -4.146 1.00 0.00 C ATOM 1515 C LYS A 98 14.626 -2.002 -2.983 1.00 0.00 C ATOM 1516 O LYS A 98 15.685 -2.591 -3.196 1.00 0.00 O ATOM 1517 CB LYS A 98 13.881 -0.096 -4.524 1.00 0.00 C ATOM 1518 CG LYS A 98 13.337 0.813 -3.420 1.00 0.00 C ATOM 1519 CD LYS A 98 14.382 1.029 -2.323 1.00 0.00 C ATOM 1520 CE LYS A 98 14.640 2.520 -2.098 1.00 0.00 C ATOM 1521 NZ LYS A 98 14.010 2.970 -0.836 1.00 0.00 N ATOM 0 H LYS A 98 11.667 -1.214 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 98 14.050 -2.134 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.932 0.131 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.350 0.100 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.047 1.774 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.439 0.371 -2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.040 0.571 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 98 15.312 0.533 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.713 2.708 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.243 3.094 -2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.195 3.984 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.984 2.808 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.409 2.434 -0.039 1.00 0.00 H new ATOM 1534 N ASN A 99 14.170 -1.690 -1.778 1.00 0.00 N ATOM 1535 CA ASN A 99 14.917 -2.039 -0.582 1.00 0.00 C ATOM 1536 C ASN A 99 13.994 -1.947 0.635 1.00 0.00 C ATOM 1537 O ASN A 99 14.378 -1.404 1.669 1.00 0.00 O ATOM 1538 CB ASN A 99 16.085 -1.077 -0.363 1.00 0.00 C ATOM 1539 CG ASN A 99 17.313 -1.817 0.172 1.00 0.00 C ATOM 1540 OD1 ASN A 99 18.351 -1.891 -0.464 1.00 0.00 O ATOM 1541 ND2 ASN A 99 17.137 -2.358 1.374 1.00 0.00 N ATOM 0 H ASN A 99 13.293 -1.199 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 99 15.302 -3.051 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.334 -0.583 -1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 99 15.791 -0.297 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.898 -2.873 1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.241 -2.258 1.852 1.00 0.00 H new ATOM 1548 N ILE A 100 12.795 -2.486 0.470 1.00 0.00 N ATOM 1549 CA ILE A 100 11.814 -2.472 1.541 1.00 0.00 C ATOM 1550 C ILE A 100 11.108 -3.828 1.600 1.00 0.00 C ATOM 1551 O ILE A 100 10.554 -4.286 0.603 1.00 0.00 O ATOM 1552 CB ILE A 100 10.859 -1.287 1.379 1.00 0.00 C ATOM 1553 CG1 ILE A 100 11.606 0.042 1.509 1.00 0.00 C ATOM 1554 CG2 ILE A 100 9.690 -1.387 2.362 1.00 0.00 C ATOM 1555 CD1 ILE A 100 10.815 1.180 0.862 1.00 0.00 C ATOM 0 H ILE A 100 12.481 -2.935 -0.390 1.00 0.00 H new ATOM 0 HA ILE A 100 12.304 -2.326 2.503 1.00 0.00 H new ATOM 0 HB ILE A 100 10.439 -1.322 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 100 11.777 0.266 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.585 -0.039 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.026 -0.533 2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.138 -2.309 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.072 -1.391 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.368 2.113 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 100 10.667 0.964 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.846 1.274 1.352 1.00 0.00 H new ATOM 1567 N LYS A 101 11.152 -4.431 2.779 1.00 0.00 N ATOM 1568 CA LYS A 101 10.523 -5.727 2.980 1.00 0.00 C ATOM 1569 C LYS A 101 9.042 -5.524 3.303 1.00 0.00 C ATOM 1570 O LYS A 101 8.702 -4.878 4.293 1.00 0.00 O ATOM 1571 CB LYS A 101 11.280 -6.531 4.038 1.00 0.00 C ATOM 1572 CG LYS A 101 10.576 -7.858 4.326 1.00 0.00 C ATOM 1573 CD LYS A 101 11.150 -8.982 3.460 1.00 0.00 C ATOM 1574 CE LYS A 101 10.541 -10.333 3.840 1.00 0.00 C ATOM 1575 NZ LYS A 101 11.553 -11.407 3.733 1.00 0.00 N ATOM 0 H LYS A 101 11.613 -4.047 3.604 1.00 0.00 H new ATOM 0 HA LYS A 101 10.572 -6.321 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.297 -6.722 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.356 -5.949 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.689 -8.112 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.508 -7.756 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.952 -8.773 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.233 -9.021 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.154 -10.290 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.697 -10.554 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.123 -12.317 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.903 -11.458 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.346 -11.202 4.374 1.00 0.00 H new ATOM 1588 N SER A 102 8.199 -6.089 2.451 1.00 0.00 N ATOM 1589 CA SER A 102 6.763 -5.979 2.633 1.00 0.00 C ATOM 1590 C SER A 102 6.142 -7.372 2.762 1.00 0.00 C ATOM 1591 O SER A 102 6.655 -8.338 2.198 1.00 0.00 O ATOM 1592 CB SER A 102 6.116 -5.216 1.475 1.00 0.00 C ATOM 1593 OG SER A 102 4.776 -4.833 1.770 1.00 0.00 O ATOM 0 H SER A 102 8.485 -6.625 1.632 1.00 0.00 H new ATOM 0 HA SER A 102 6.578 -5.419 3.550 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.706 -4.327 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.126 -5.838 0.580 1.00 0.00 H new ATOM 0 HG SER A 102 4.399 -4.347 1.007 1.00 0.00 H new ATOM 1599 N VAL A 103 5.050 -7.432 3.509 1.00 0.00 N ATOM 1600 CA VAL A 103 4.356 -8.691 3.718 1.00 0.00 C ATOM 1601 C VAL A 103 2.845 -8.445 3.700 1.00 0.00 C ATOM 1602 O VAL A 103 2.330 -7.667 4.501 1.00 0.00 O ATOM 1603 CB VAL A 103 4.838 -9.345 5.015 1.00 0.00 C ATOM 1604 CG1 VAL A 103 3.873 -10.443 5.467 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.257 -9.894 4.857 1.00 0.00 C ATOM 0 H VAL A 103 4.629 -6.630 3.977 1.00 0.00 H new ATOM 0 HA VAL A 103 4.582 -9.390 2.912 1.00 0.00 H new ATOM 0 HB VAL A 103 4.859 -8.578 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.239 -10.891 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.886 -10.012 5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.805 -11.209 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.576 -10.353 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.272 -10.640 4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.936 -9.080 4.603 1.00 0.00 H new ATOM 1615 N THR A 104 2.180 -9.122 2.776 1.00 0.00 N ATOM 1616 CA THR A 104 0.739 -8.987 2.641 1.00 0.00 C ATOM 1617 C THR A 104 0.038 -10.266 3.101 1.00 0.00 C ATOM 1618 O THR A 104 0.499 -11.369 2.813 1.00 0.00 O ATOM 1619 CB THR A 104 0.432 -8.614 1.190 1.00 0.00 C ATOM 1620 OG1 THR A 104 1.678 -8.143 0.682 1.00 0.00 O ATOM 1621 CG2 THR A 104 -0.497 -7.403 1.080 1.00 0.00 C ATOM 0 H THR A 104 2.612 -9.766 2.113 1.00 0.00 H new ATOM 0 HA THR A 104 0.355 -8.194 3.283 1.00 0.00 H new ATOM 0 HB THR A 104 -0.022 -9.466 0.685 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.222 -8.905 0.391 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.682 -7.181 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.442 -7.623 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.029 -6.541 1.556 1.00 0.00 H new ATOM 1629 N GLU A 105 -1.066 -10.077 3.809 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.835 -11.202 4.312 1.00 0.00 C ATOM 1631 C GLU A 105 -3.328 -10.868 4.310 1.00 0.00 C ATOM 1632 O GLU A 105 -3.706 -9.698 4.358 1.00 0.00 O ATOM 1633 CB GLU A 105 -1.366 -11.605 5.711 1.00 0.00 C ATOM 1634 CG GLU A 105 -1.636 -10.489 6.723 1.00 0.00 C ATOM 1635 CD GLU A 105 -0.913 -10.761 8.045 1.00 0.00 C ATOM 1636 OE1 GLU A 105 -0.725 -11.928 8.420 1.00 0.00 O ATOM 1637 OE2 GLU A 105 -0.541 -9.708 8.690 1.00 0.00 O ATOM 0 H GLU A 105 -1.446 -9.161 4.046 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.672 -12.053 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -1.879 -12.515 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.300 -11.831 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.306 -9.534 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.708 -10.406 6.901 1.00 0.00 H new ATOM 1645 N LEU A 106 -4.136 -11.916 4.253 1.00 0.00 N ATOM 1646 CA LEU A 106 -5.580 -11.748 4.244 1.00 0.00 C ATOM 1647 C LEU A 106 -6.175 -12.417 5.484 1.00 0.00 C ATOM 1648 O LEU A 106 -6.036 -13.625 5.670 1.00 0.00 O ATOM 1649 CB LEU A 106 -6.170 -12.259 2.927 1.00 0.00 C ATOM 1650 CG LEU A 106 -7.473 -11.597 2.475 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -7.230 -10.155 2.029 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -8.160 -12.426 1.387 1.00 0.00 C ATOM 0 H LEU A 106 -3.819 -12.885 4.213 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.841 -10.691 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.426 -12.125 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.344 -13.331 3.021 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.151 -11.559 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.173 -9.708 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.817 -9.582 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.527 -10.145 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.084 -11.934 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.497 -12.517 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.389 -13.418 1.776 1.00 0.00 H new ATOM 1664 N ASN A 107 -6.824 -11.601 6.302 1.00 0.00 N ATOM 1665 CA ASN A 107 -7.441 -12.099 7.520 1.00 0.00 C ATOM 1666 C ASN A 107 -8.859 -11.536 7.636 1.00 0.00 C ATOM 1667 O ASN A 107 -9.049 -10.321 7.644 1.00 0.00 O ATOM 1668 CB ASN A 107 -6.655 -11.657 8.756 1.00 0.00 C ATOM 1669 CG ASN A 107 -6.726 -12.715 9.859 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -6.645 -13.908 9.617 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -6.881 -12.213 11.081 1.00 0.00 N ATOM 0 H ASN A 107 -6.936 -10.599 6.145 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.454 -13.188 7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.614 -11.479 8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.054 -10.713 9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.939 -12.838 11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.942 -11.203 11.214 1.00 0.00 H new ATOM 1678 N GLY A 108 -9.818 -12.446 7.723 1.00 0.00 N ATOM 1679 CA GLY A 108 -11.213 -12.056 7.837 1.00 0.00 C ATOM 1680 C GLY A 108 -11.512 -10.831 6.971 1.00 0.00 C ATOM 1681 O GLY A 108 -11.774 -10.959 5.776 1.00 0.00 O ATOM 0 H GLY A 108 -9.656 -13.453 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.852 -12.885 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.449 -11.836 8.878 1.00 0.00 H new ATOM 1685 N ASP A 109 -11.462 -9.669 7.607 1.00 0.00 N ATOM 1686 CA ASP A 109 -11.725 -8.422 6.909 1.00 0.00 C ATOM 1687 C ASP A 109 -10.670 -7.387 7.309 1.00 0.00 C ATOM 1688 O ASP A 109 -10.863 -6.190 7.105 1.00 0.00 O ATOM 1689 CB ASP A 109 -13.100 -7.862 7.279 1.00 0.00 C ATOM 1690 CG ASP A 109 -14.285 -8.587 6.638 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -14.115 -9.408 5.725 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -15.440 -8.275 7.122 1.00 0.00 O ATOM 0 H ASP A 109 -11.243 -9.565 8.598 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.694 -8.622 5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.212 -7.901 8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.137 -6.811 6.992 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.580 -7.887 7.873 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.496 -7.021 8.303 1.00 0.00 C ATOM 1700 C ILE A 110 -7.229 -7.369 7.519 1.00 0.00 C ATOM 1701 O ILE A 110 -6.816 -8.527 7.483 1.00 0.00 O ATOM 1702 CB ILE A 110 -8.320 -7.096 9.821 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.675 -7.080 10.532 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -7.397 -5.985 10.322 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -10.404 -5.755 10.292 1.00 0.00 C ATOM 0 H ILE A 110 -9.425 -8.881 8.042 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.731 -5.979 8.084 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.841 -8.045 10.062 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.288 -7.907 10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.530 -7.231 11.602 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -7.289 -6.062 11.404 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.419 -6.085 9.852 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.824 -5.015 10.068 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.364 -5.769 10.808 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.799 -4.933 10.674 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -10.568 -5.619 9.223 1.00 0.00 H new ATOM 1717 N ILE A 111 -6.648 -6.346 6.911 1.00 0.00 N ATOM 1718 CA ILE A 111 -5.436 -6.529 6.130 1.00 0.00 C ATOM 1719 C ILE A 111 -4.300 -5.723 6.762 1.00 0.00 C ATOM 1720 O ILE A 111 -4.399 -4.505 6.897 1.00 0.00 O ATOM 1721 CB ILE A 111 -5.689 -6.187 4.660 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -6.761 -5.103 4.526 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -6.038 -7.441 3.857 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -7.053 -4.799 3.056 1.00 0.00 C ATOM 0 H ILE A 111 -6.994 -5.387 6.943 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.130 -7.575 6.142 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.768 -5.783 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.675 -5.428 5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.430 -4.195 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.213 -7.169 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.212 -8.150 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.938 -7.898 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.818 -4.026 2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.142 -4.451 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.407 -5.703 2.561 1.00 0.00 H new ATOM 1736 N THR A 112 -3.247 -6.436 7.133 1.00 0.00 N ATOM 1737 CA THR A 112 -2.093 -5.803 7.748 1.00 0.00 C ATOM 1738 C THR A 112 -0.960 -5.653 6.731 1.00 0.00 C ATOM 1739 O THR A 112 -0.650 -6.594 6.000 1.00 0.00 O ATOM 1740 CB THR A 112 -1.701 -6.625 8.977 1.00 0.00 C ATOM 1741 OG1 THR A 112 -2.842 -6.545 9.828 1.00 0.00 O ATOM 1742 CG2 THR A 112 -0.584 -5.968 9.790 1.00 0.00 C ATOM 0 H THR A 112 -3.169 -7.447 7.019 1.00 0.00 H new ATOM 0 HA THR A 112 -2.327 -4.791 8.077 1.00 0.00 H new ATOM 0 HB THR A 112 -1.384 -7.619 8.661 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.674 -7.053 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.345 -6.593 10.651 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.302 -5.855 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.913 -4.987 10.134 1.00 0.00 H new ATOM 1750 N ASN A 113 -0.375 -4.465 6.715 1.00 0.00 N ATOM 1751 CA ASN A 113 0.716 -4.181 5.799 1.00 0.00 C ATOM 1752 C ASN A 113 1.988 -3.891 6.600 1.00 0.00 C ATOM 1753 O ASN A 113 1.969 -3.086 7.530 1.00 0.00 O ATOM 1754 CB ASN A 113 0.409 -2.952 4.940 1.00 0.00 C ATOM 1755 CG ASN A 113 1.267 -2.940 3.673 1.00 0.00 C ATOM 1756 OD1 ASN A 113 2.095 -2.069 3.462 1.00 0.00 O ATOM 1757 ND2 ASN A 113 1.023 -3.952 2.845 1.00 0.00 N ATOM 0 H ASN A 113 -0.636 -3.688 7.322 1.00 0.00 H new ATOM 0 HA ASN A 113 0.848 -5.049 5.153 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.647 -2.948 4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.593 -2.046 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.543 -4.033 1.972 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.315 -4.647 3.084 1.00 0.00 H new ATOM 1764 N THR A 114 3.060 -4.564 6.211 1.00 0.00 N ATOM 1765 CA THR A 114 4.337 -4.388 6.881 1.00 0.00 C ATOM 1766 C THR A 114 5.229 -3.431 6.088 1.00 0.00 C ATOM 1767 O THR A 114 5.469 -3.641 4.899 1.00 0.00 O ATOM 1768 CB THR A 114 4.960 -5.772 7.083 1.00 0.00 C ATOM 1769 OG1 THR A 114 4.869 -6.384 5.799 1.00 0.00 O ATOM 1770 CG2 THR A 114 4.109 -6.671 7.983 1.00 0.00 C ATOM 0 H THR A 114 3.071 -5.232 5.440 1.00 0.00 H new ATOM 0 HA THR A 114 4.209 -3.927 7.860 1.00 0.00 H new ATOM 0 HB THR A 114 5.955 -5.663 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.765 -6.463 5.410 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.595 -7.640 8.094 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.999 -6.206 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.125 -6.808 7.534 1.00 0.00 H new ATOM 1778 N MET A 115 5.697 -2.401 6.777 1.00 0.00 N ATOM 1779 CA MET A 115 6.557 -1.411 6.153 1.00 0.00 C ATOM 1780 C MET A 115 7.737 -1.057 7.060 1.00 0.00 C ATOM 1781 O MET A 115 7.544 -0.681 8.216 1.00 0.00 O ATOM 1782 CB MET A 115 5.747 -0.148 5.851 1.00 0.00 C ATOM 1783 CG MET A 115 5.725 0.144 4.350 1.00 0.00 C ATOM 1784 SD MET A 115 4.039 0.229 3.770 1.00 0.00 S ATOM 1785 CE MET A 115 4.274 1.163 2.267 1.00 0.00 C ATOM 0 H MET A 115 5.496 -2.231 7.762 1.00 0.00 H new ATOM 0 HA MET A 115 6.950 -1.832 5.227 1.00 0.00 H new ATOM 0 HB2 MET A 115 4.727 -0.270 6.216 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.177 0.700 6.384 1.00 0.00 H new ATOM 0 HG2 MET A 115 6.236 1.085 4.147 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.265 -0.635 3.812 1.00 0.00 H new ATOM 0 HE1 MET A 115 3.312 1.308 1.775 1.00 0.00 H new ATOM 0 HE2 MET A 115 4.709 2.133 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 115 4.944 0.619 1.601 1.00 0.00 H new ATOM 1795 N THR A 116 8.931 -1.190 6.505 1.00 0.00 N ATOM 1796 CA THR A 116 10.142 -0.889 7.250 1.00 0.00 C ATOM 1797 C THR A 116 10.861 0.314 6.636 1.00 0.00 C ATOM 1798 O THR A 116 11.313 0.254 5.493 1.00 0.00 O ATOM 1799 CB THR A 116 11.000 -2.155 7.290 1.00 0.00 C ATOM 1800 OG1 THR A 116 12.249 -1.712 7.813 1.00 0.00 O ATOM 1801 CG2 THR A 116 11.344 -2.674 5.892 1.00 0.00 C ATOM 0 H THR A 116 9.087 -1.503 5.547 1.00 0.00 H new ATOM 0 HA THR A 116 9.914 -0.602 8.276 1.00 0.00 H new ATOM 0 HB THR A 116 10.475 -2.931 7.846 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.866 -2.471 7.874 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.954 -3.573 5.978 1.00 0.00 H new ATOM 0 HG22 THR A 116 10.425 -2.908 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.898 -1.910 5.347 1.00 0.00 H new ATOM 1809 N LEU A 117 10.946 1.377 7.421 1.00 0.00 N ATOM 1810 CA LEU A 117 11.603 2.591 6.969 1.00 0.00 C ATOM 1811 C LEU A 117 12.499 3.127 8.087 1.00 0.00 C ATOM 1812 O LEU A 117 12.086 3.188 9.244 1.00 0.00 O ATOM 1813 CB LEU A 117 10.571 3.604 6.469 1.00 0.00 C ATOM 1814 CG LEU A 117 10.605 3.912 4.971 1.00 0.00 C ATOM 1815 CD1 LEU A 117 9.908 2.811 4.169 1.00 0.00 C ATOM 1816 CD2 LEU A 117 10.013 5.293 4.681 1.00 0.00 C ATOM 0 H LEU A 117 10.570 1.423 8.368 1.00 0.00 H new ATOM 0 HA LEU A 117 12.248 2.380 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.577 3.235 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.713 4.537 7.015 1.00 0.00 H new ATOM 0 HG LEU A 117 11.647 3.934 4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.946 3.055 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.412 1.860 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.868 2.733 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.049 5.487 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.978 5.324 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 117 10.590 6.054 5.207 1.00 0.00 H new ATOM 1828 N GLY A 118 13.709 3.503 7.702 1.00 0.00 N ATOM 1829 CA GLY A 118 14.669 4.032 8.658 1.00 0.00 C ATOM 1830 C GLY A 118 14.797 3.112 9.872 1.00 0.00 C ATOM 1831 O GLY A 118 14.951 3.581 10.999 1.00 0.00 O ATOM 0 H GLY A 118 14.048 3.452 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 118 15.641 4.144 8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 118 14.356 5.025 8.981 1.00 0.00 H new ATOM 1835 N ASP A 119 14.728 1.816 9.602 1.00 0.00 N ATOM 1836 CA ASP A 119 14.835 0.825 10.660 1.00 0.00 C ATOM 1837 C ASP A 119 13.610 0.923 11.572 1.00 0.00 C ATOM 1838 O ASP A 119 13.656 0.505 12.727 1.00 0.00 O ATOM 1839 CB ASP A 119 16.080 1.065 11.516 1.00 0.00 C ATOM 1840 CG ASP A 119 17.177 0.008 11.372 1.00 0.00 C ATOM 1841 OD1 ASP A 119 17.001 -1.006 10.679 1.00 0.00 O ATOM 1842 OD2 ASP A 119 18.266 0.261 12.016 1.00 0.00 O ATOM 0 H ASP A 119 14.599 1.430 8.667 1.00 0.00 H new ATOM 0 HA ASP A 119 14.901 -0.158 10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.498 2.038 11.258 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.779 1.115 12.562 1.00 0.00 H new ATOM 1848 N ILE A 120 12.542 1.478 11.016 1.00 0.00 N ATOM 1849 CA ILE A 120 11.306 1.636 11.763 1.00 0.00 C ATOM 1850 C ILE A 120 10.189 0.857 11.064 1.00 0.00 C ATOM 1851 O ILE A 120 9.866 1.129 9.910 1.00 0.00 O ATOM 1852 CB ILE A 120 10.988 3.118 11.965 1.00 0.00 C ATOM 1853 CG1 ILE A 120 12.183 3.858 12.570 1.00 0.00 C ATOM 1854 CG2 ILE A 120 9.719 3.298 12.800 1.00 0.00 C ATOM 1855 CD1 ILE A 120 12.235 5.308 12.085 1.00 0.00 C ATOM 0 H ILE A 120 12.508 1.824 10.057 1.00 0.00 H new ATOM 0 HA ILE A 120 11.410 1.217 12.764 1.00 0.00 H new ATOM 0 HB ILE A 120 10.796 3.562 10.988 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.115 3.837 13.658 1.00 0.00 H new ATOM 0 HG13 ILE A 120 13.107 3.347 12.299 1.00 0.00 H new ATOM 0 HG21 ILE A 120 9.516 4.361 12.929 1.00 0.00 H new ATOM 0 HG22 ILE A 120 8.878 2.827 12.291 1.00 0.00 H new ATOM 0 HG23 ILE A 120 9.857 2.834 13.777 1.00 0.00 H new ATOM 0 HD11 ILE A 120 13.094 5.810 12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.328 5.325 10.999 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.321 5.823 12.379 1.00 0.00 H new ATOM 1867 N VAL A 121 9.631 -0.097 11.795 1.00 0.00 N ATOM 1868 CA VAL A 121 8.558 -0.917 11.260 1.00 0.00 C ATOM 1869 C VAL A 121 7.225 -0.459 11.856 1.00 0.00 C ATOM 1870 O VAL A 121 7.091 -0.351 13.075 1.00 0.00 O ATOM 1871 CB VAL A 121 8.850 -2.397 11.519 1.00 0.00 C ATOM 1872 CG1 VAL A 121 8.802 -2.712 13.014 1.00 0.00 C ATOM 1873 CG2 VAL A 121 7.885 -3.291 10.738 1.00 0.00 C ATOM 0 H VAL A 121 9.902 -0.320 12.753 1.00 0.00 H new ATOM 0 HA VAL A 121 8.490 -0.797 10.179 1.00 0.00 H new ATOM 0 HB VAL A 121 9.860 -2.606 11.166 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.013 -3.770 13.170 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.548 -2.113 13.536 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.811 -2.478 13.403 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.114 -4.337 10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.861 -3.078 11.046 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.991 -3.096 9.671 1.00 0.00 H new ATOM 1883 N PHE A 122 6.274 -0.201 10.971 1.00 0.00 N ATOM 1884 CA PHE A 122 4.958 0.243 11.395 1.00 0.00 C ATOM 1885 C PHE A 122 3.897 -0.817 11.091 1.00 0.00 C ATOM 1886 O PHE A 122 4.109 -1.689 10.251 1.00 0.00 O ATOM 1887 CB PHE A 122 4.636 1.511 10.601 1.00 0.00 C ATOM 1888 CG PHE A 122 5.759 2.550 10.606 1.00 0.00 C ATOM 1889 CD1 PHE A 122 5.864 3.434 11.634 1.00 0.00 C ATOM 1890 CD2 PHE A 122 6.654 2.589 9.582 1.00 0.00 C ATOM 1891 CE1 PHE A 122 6.907 4.398 11.638 1.00 0.00 C ATOM 1892 CE2 PHE A 122 7.697 3.552 9.587 1.00 0.00 C ATOM 1893 CZ PHE A 122 7.802 4.436 10.615 1.00 0.00 C ATOM 0 H PHE A 122 6.389 -0.291 9.962 1.00 0.00 H new ATOM 0 HA PHE A 122 4.955 0.424 12.470 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.415 1.235 9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 122 3.733 1.965 11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 122 5.154 3.403 12.447 1.00 0.00 H new ATOM 0 HD2 PHE A 122 6.571 1.887 8.765 1.00 0.00 H new ATOM 0 HE1 PHE A 122 6.989 5.101 12.454 1.00 0.00 H new ATOM 0 HE2 PHE A 122 8.407 3.583 8.774 1.00 0.00 H new ATOM 0 HZ PHE A 122 8.596 5.168 10.619 1.00 0.00 H new ATOM 1903 N LYS A 123 2.778 -0.707 11.793 1.00 0.00 N ATOM 1904 CA LYS A 123 1.684 -1.645 11.608 1.00 0.00 C ATOM 1905 C LYS A 123 0.470 -0.902 11.049 1.00 0.00 C ATOM 1906 O LYS A 123 0.186 0.225 11.452 1.00 0.00 O ATOM 1907 CB LYS A 123 1.398 -2.396 12.911 1.00 0.00 C ATOM 1908 CG LYS A 123 0.325 -3.467 12.701 1.00 0.00 C ATOM 1909 CD LYS A 123 0.162 -4.332 13.952 1.00 0.00 C ATOM 1910 CE LYS A 123 1.318 -5.325 14.086 1.00 0.00 C ATOM 1911 NZ LYS A 123 1.575 -5.635 15.511 1.00 0.00 N ATOM 0 H LYS A 123 2.606 0.017 12.490 1.00 0.00 H new ATOM 0 HA LYS A 123 1.955 -2.408 10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 123 2.314 -2.860 13.276 1.00 0.00 H new ATOM 0 HB3 LYS A 123 1.070 -1.692 13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.625 -2.992 12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 123 0.595 -4.096 11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.120 -3.695 14.836 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -0.783 -4.873 13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.082 -6.242 13.546 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.217 -4.909 13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 2.363 -6.310 15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.821 -4.761 16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.722 -6.052 15.935 1.00 0.00 H new ATOM 1924 N ARG A 124 -0.216 -1.563 10.128 1.00 0.00 N ATOM 1925 CA ARG A 124 -1.393 -0.979 9.508 1.00 0.00 C ATOM 1926 C ARG A 124 -2.616 -1.867 9.751 1.00 0.00 C ATOM 1927 O ARG A 124 -2.538 -3.087 9.617 1.00 0.00 O ATOM 1928 CB ARG A 124 -1.193 -0.800 8.002 1.00 0.00 C ATOM 1929 CG ARG A 124 -0.378 0.461 7.704 1.00 0.00 C ATOM 1930 CD ARG A 124 -0.081 0.580 6.207 1.00 0.00 C ATOM 1931 NE ARG A 124 -0.033 2.006 5.813 1.00 0.00 N ATOM 1932 CZ ARG A 124 0.992 2.836 6.101 1.00 0.00 C ATOM 1933 NH1 ARG A 124 2.064 2.388 6.789 1.00 0.00 N ATOM 1934 NH2 ARG A 124 0.931 4.092 5.700 1.00 0.00 N ATOM 0 H ARG A 124 0.021 -2.498 9.796 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.554 -0.000 9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -0.683 -1.672 7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.162 -0.736 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -0.926 1.341 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 124 0.557 0.435 8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 124 0.869 0.098 5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.849 0.061 5.633 1.00 0.00 H new ATOM 0 HE ARG A 124 -0.823 2.385 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 124 2.104 1.416 7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.834 3.022 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.118 4.423 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.697 4.732 5.909 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.717 -1.220 10.103 1.00 0.00 N ATOM 1948 CA ILE A 125 -4.954 -1.935 10.365 1.00 0.00 C ATOM 1949 C ILE A 125 -6.097 -1.266 9.598 1.00 0.00 C ATOM 1950 O ILE A 125 -6.354 -0.076 9.773 1.00 0.00 O ATOM 1951 CB ILE A 125 -5.203 -2.041 11.870 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -4.064 -2.791 12.563 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -6.566 -2.675 12.158 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -3.485 -1.968 13.715 1.00 0.00 C ATOM 0 H ILE A 125 -3.778 -0.208 10.213 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.885 -2.961 10.004 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.223 -1.033 12.284 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.430 -3.745 12.942 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.279 -3.014 11.841 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.717 -2.738 13.236 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.353 -2.063 11.716 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.600 -3.676 11.727 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.677 -2.525 14.190 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.098 -1.025 13.330 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.267 -1.767 14.448 1.00 0.00 H new ATOM 1966 N SER A 126 -6.753 -2.061 8.766 1.00 0.00 N ATOM 1967 CA SER A 126 -7.863 -1.561 7.971 1.00 0.00 C ATOM 1968 C SER A 126 -8.942 -2.638 7.844 1.00 0.00 C ATOM 1969 O SER A 126 -8.632 -3.817 7.685 1.00 0.00 O ATOM 1970 CB SER A 126 -7.391 -1.114 6.586 1.00 0.00 C ATOM 1971 OG SER A 126 -8.483 -0.800 5.727 1.00 0.00 O ATOM 0 H SER A 126 -6.538 -3.048 8.625 1.00 0.00 H new ATOM 0 HA SER A 126 -8.284 -0.693 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.746 -0.241 6.687 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.790 -1.904 6.135 1.00 0.00 H new ATOM 0 HG SER A 126 -8.151 -0.647 4.818 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.188 -2.193 7.919 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.315 -3.105 7.813 1.00 0.00 C ATOM 1979 C LYS A 127 -11.911 -3.010 6.408 1.00 0.00 C ATOM 1980 O LYS A 127 -11.751 -1.999 5.728 1.00 0.00 O ATOM 1981 CB LYS A 127 -12.326 -2.837 8.929 1.00 0.00 C ATOM 1982 CG LYS A 127 -13.172 -4.080 9.213 1.00 0.00 C ATOM 1983 CD LYS A 127 -13.935 -3.935 10.531 1.00 0.00 C ATOM 1984 CE LYS A 127 -15.438 -3.796 10.281 1.00 0.00 C ATOM 1985 NZ LYS A 127 -16.203 -4.614 11.248 1.00 0.00 N ATOM 0 H LYS A 127 -10.442 -1.214 8.052 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.987 -4.135 7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -11.801 -2.535 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.975 -2.008 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.876 -4.239 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.530 -4.960 9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -13.746 -4.803 11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.570 -3.062 11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.732 -2.750 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -15.674 -4.110 9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -17.221 -4.508 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.935 -5.614 11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -15.991 -4.296 12.215 1.00 0.00 H new ATOM 1998 N ARG A 128 -12.588 -4.079 6.014 1.00 0.00 N ATOM 1999 CA ARG A 128 -13.210 -4.130 4.702 1.00 0.00 C ATOM 2000 C ARG A 128 -14.328 -3.090 4.603 1.00 0.00 C ATOM 2001 O ARG A 128 -15.399 -3.268 5.181 1.00 0.00 O ATOM 2002 CB ARG A 128 -13.788 -5.518 4.419 1.00 0.00 C ATOM 2003 CG ARG A 128 -13.800 -5.812 2.918 1.00 0.00 C ATOM 2004 CD ARG A 128 -14.210 -7.261 2.646 1.00 0.00 C ATOM 2005 NE ARG A 128 -15.684 -7.361 2.552 1.00 0.00 N ATOM 2006 CZ ARG A 128 -16.419 -6.803 1.566 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -15.822 -6.099 0.582 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -17.730 -6.955 1.582 1.00 0.00 N ATOM 0 H ARG A 128 -12.719 -4.917 6.581 1.00 0.00 H new ATOM 0 HA ARG A 128 -12.440 -3.912 3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -13.197 -6.274 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -14.802 -5.581 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -14.491 -5.135 2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -12.811 -5.625 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -13.754 -7.609 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -13.844 -7.907 3.444 1.00 0.00 H new ATOM 0 HE ARG A 128 -16.175 -7.884 3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -14.808 -5.985 0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -16.384 -5.681 -0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -18.173 -7.487 2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.301 -6.540 0.845 1.00 0.00 H new ATOM 2021 N ILE A 129 -14.041 -2.027 3.867 1.00 0.00 N ATOM 2022 CA ILE A 129 -15.008 -0.958 3.685 1.00 0.00 C ATOM 2023 C ILE A 129 -15.388 -0.383 5.051 1.00 0.00 C ATOM 2024 O ILE A 129 -15.282 0.822 5.273 1.00 0.00 O ATOM 2025 CB ILE A 129 -16.206 -1.452 2.871 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -15.798 -1.762 1.429 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -17.364 -0.455 2.937 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -16.789 -2.726 0.774 1.00 0.00 C ATOM 0 H ILE A 129 -13.152 -1.883 3.389 1.00 0.00 H new ATOM 0 HA ILE A 129 -14.572 -0.144 3.106 1.00 0.00 H new ATOM 0 HB ILE A 129 -16.559 -2.383 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -15.751 -0.837 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -14.799 -2.197 1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -18.202 -0.831 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -17.676 -0.327 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -17.041 0.505 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -16.476 -2.930 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -16.816 -3.659 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -17.782 -2.277 0.767 1.00 0.00 H new