USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 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 11 MET CE :methyl -163:sc= -1.1 (180deg=-1.62) USER MOD Set 1.2: A 45 GLN : amide:sc= 0.0134 K(o=-1.1,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0402 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.12) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 39:sc= 0.00374 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 26:sc= -6.34! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -111:sc= 0.742 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.248 (180deg=-0.868) USER MOD Single : A 58 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3.2!) USER MOD Single : A 61 SER OG : rot 140:sc= -1.46 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 70 CYS SG : rot 100:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0179 K(o=-0.018,f=-2.6!) USER MOD Single : A 79 SER OG : rot -68:sc= 0.0441 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 87:sc= 1.25 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.137 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.550 -26.388 11.882 1.00 0.00 N ATOM 2 CA GLY A 1 -2.224 -25.372 11.028 1.00 0.00 C ATOM 3 C GLY A 1 -1.588 -25.253 9.656 1.00 0.00 C ATOM 4 O GLY A 1 -0.423 -25.605 9.472 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.191 -27.192 12.037 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.686 -26.721 11.409 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.301 -25.962 12.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.276 -25.636 10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.190 -24.403 11.526 1.00 0.00 H new ATOM 10 N SER A 2 -2.357 -24.757 8.692 1.00 0.00 N ATOM 11 CA SER A 2 -1.862 -24.594 7.330 1.00 0.00 C ATOM 12 C SER A 2 -1.088 -23.288 7.185 1.00 0.00 C ATOM 13 O SER A 2 -1.356 -22.314 7.890 1.00 0.00 O ATOM 14 CB SER A 2 -3.025 -24.624 6.335 1.00 0.00 C ATOM 15 OG SER A 2 -3.255 -25.939 5.860 1.00 0.00 O ATOM 0 H SER A 2 -3.324 -24.461 8.828 1.00 0.00 H new ATOM 0 HA SER A 2 -1.186 -25.422 7.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.927 -24.244 6.814 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.807 -23.964 5.496 1.00 0.00 H new ATOM 0 HG SER A 2 -4.004 -25.932 5.227 1.00 0.00 H new ATOM 21 N SER A 3 -0.126 -23.273 6.267 1.00 0.00 N ATOM 22 CA SER A 3 0.686 -22.087 6.030 1.00 0.00 C ATOM 23 C SER A 3 1.450 -21.690 7.289 1.00 0.00 C ATOM 24 O SER A 3 1.389 -22.378 8.308 1.00 0.00 O ATOM 25 CB SER A 3 -0.193 -20.925 5.566 1.00 0.00 C ATOM 26 OG SER A 3 -0.277 -20.881 4.152 1.00 0.00 O ATOM 0 H SER A 3 0.109 -24.070 5.675 1.00 0.00 H new ATOM 0 HA SER A 3 1.407 -22.322 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.192 -21.029 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.215 -19.985 5.938 1.00 0.00 H new ATOM 0 HG SER A 3 -0.846 -20.130 3.881 1.00 0.00 H new ATOM 32 N GLY A 4 2.170 -20.576 7.212 1.00 0.00 N ATOM 33 CA GLY A 4 2.935 -20.106 8.351 1.00 0.00 C ATOM 34 C GLY A 4 3.828 -18.930 8.007 1.00 0.00 C ATOM 35 O GLY A 4 4.048 -18.045 8.834 1.00 0.00 O ATOM 0 H GLY A 4 2.237 -19.990 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.251 -19.817 9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.547 -20.922 8.735 1.00 0.00 H new ATOM 39 N SER A 5 4.343 -18.920 6.782 1.00 0.00 N ATOM 40 CA SER A 5 5.217 -17.844 6.329 1.00 0.00 C ATOM 41 C SER A 5 4.407 -16.710 5.709 1.00 0.00 C ATOM 42 O SER A 5 4.520 -15.555 6.122 1.00 0.00 O ATOM 43 CB SER A 5 6.231 -18.375 5.315 1.00 0.00 C ATOM 44 OG SER A 5 7.225 -19.161 5.950 1.00 0.00 O ATOM 0 H SER A 5 4.170 -19.645 6.085 1.00 0.00 H new ATOM 0 HA SER A 5 5.751 -17.454 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.718 -18.972 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.701 -17.540 4.795 1.00 0.00 H new ATOM 0 HG SER A 5 7.860 -19.490 5.280 1.00 0.00 H new ATOM 50 N SER A 6 3.591 -17.047 4.716 1.00 0.00 N ATOM 51 CA SER A 6 2.762 -16.056 4.039 1.00 0.00 C ATOM 52 C SER A 6 1.621 -15.596 4.939 1.00 0.00 C ATOM 53 O SER A 6 0.624 -16.299 5.101 1.00 0.00 O ATOM 54 CB SER A 6 2.202 -16.633 2.738 1.00 0.00 C ATOM 55 OG SER A 6 1.718 -15.605 1.891 1.00 0.00 O ATOM 0 H SER A 6 3.486 -17.998 4.362 1.00 0.00 H new ATOM 0 HA SER A 6 3.386 -15.193 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.979 -17.197 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.397 -17.332 2.963 1.00 0.00 H new ATOM 0 HG SER A 6 1.367 -15.999 1.065 1.00 0.00 H new ATOM 61 N GLY A 7 1.774 -14.411 5.522 1.00 0.00 N ATOM 62 CA GLY A 7 0.748 -13.879 6.398 1.00 0.00 C ATOM 63 C GLY A 7 1.166 -12.579 7.058 1.00 0.00 C ATOM 64 O GLY A 7 0.880 -12.352 8.233 1.00 0.00 O ATOM 0 H GLY A 7 2.590 -13.811 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.165 -13.715 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.514 -14.615 7.167 1.00 0.00 H new ATOM 68 N GLY A 8 1.844 -11.724 6.299 1.00 0.00 N ATOM 69 CA GLY A 8 2.291 -10.451 6.834 1.00 0.00 C ATOM 70 C GLY A 8 3.311 -9.773 5.941 1.00 0.00 C ATOM 71 O GLY A 8 3.083 -9.602 4.744 1.00 0.00 O ATOM 0 H GLY A 8 2.092 -11.890 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.432 -9.793 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.724 -10.608 7.822 1.00 0.00 H new ATOM 75 N ASN A 9 4.440 -9.384 6.526 1.00 0.00 N ATOM 76 CA ASN A 9 5.499 -8.719 5.776 1.00 0.00 C ATOM 77 C ASN A 9 6.182 -9.692 4.820 1.00 0.00 C ATOM 78 O ASN A 9 7.296 -10.149 5.072 1.00 0.00 O ATOM 79 CB ASN A 9 6.530 -8.118 6.734 1.00 0.00 C ATOM 80 CG ASN A 9 5.989 -6.917 7.485 1.00 0.00 C ATOM 81 OD1 ASN A 9 5.135 -7.051 8.362 1.00 0.00 O ATOM 82 ND2 ASN A 9 6.485 -5.735 7.144 1.00 0.00 N ATOM 0 H ASN A 9 4.644 -9.518 7.516 1.00 0.00 H new ATOM 0 HA ASN A 9 5.048 -7.919 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.845 -8.879 7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.416 -7.823 6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.160 -4.890 7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.192 -5.671 6.411 1.00 0.00 H new ATOM 89 N LEU A 10 5.505 -10.002 3.718 1.00 0.00 N ATOM 90 CA LEU A 10 6.046 -10.920 2.722 1.00 0.00 C ATOM 91 C LEU A 10 7.100 -10.230 1.863 1.00 0.00 C ATOM 92 O LEU A 10 8.279 -10.581 1.909 1.00 0.00 O ATOM 93 CB LEU A 10 4.923 -11.461 1.835 1.00 0.00 C ATOM 94 CG LEU A 10 5.341 -12.567 0.864 1.00 0.00 C ATOM 95 CD1 LEU A 10 4.967 -13.934 1.414 1.00 0.00 C ATOM 96 CD2 LEU A 10 4.704 -12.348 -0.501 1.00 0.00 C ATOM 0 H LEU A 10 4.582 -9.631 3.493 1.00 0.00 H new ATOM 0 HA LEU A 10 6.518 -11.751 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.127 -11.842 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.503 -10.634 1.262 1.00 0.00 H new ATOM 0 HG LEU A 10 6.424 -12.530 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.273 -14.706 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.471 -14.093 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.888 -13.984 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.013 -13.144 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.619 -12.357 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.024 -11.386 -0.902 1.00 0.00 H new ATOM 108 N MET A 11 6.668 -9.248 1.078 1.00 0.00 N ATOM 109 CA MET A 11 7.574 -8.509 0.208 1.00 0.00 C ATOM 110 C MET A 11 8.213 -7.338 0.949 1.00 0.00 C ATOM 111 O MET A 11 9.310 -6.899 0.605 1.00 0.00 O ATOM 112 CB MET A 11 6.828 -8.000 -1.027 1.00 0.00 C ATOM 113 CG MET A 11 6.357 -9.108 -1.954 1.00 0.00 C ATOM 114 SD MET A 11 7.717 -10.112 -2.583 1.00 0.00 S ATOM 115 CE MET A 11 7.961 -9.376 -4.199 1.00 0.00 C ATOM 0 H MET A 11 5.695 -8.946 1.027 1.00 0.00 H new ATOM 0 HA MET A 11 8.366 -9.189 -0.108 1.00 0.00 H new ATOM 0 HB2 MET A 11 5.966 -7.416 -0.705 1.00 0.00 H new ATOM 0 HB3 MET A 11 7.480 -7.326 -1.582 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.654 -9.748 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.816 -8.670 -2.793 1.00 0.00 H new ATOM 0 HE1 MET A 11 8.542 -10.054 -4.824 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.993 -9.192 -4.665 1.00 0.00 H new ATOM 0 HE3 MET A 11 8.497 -8.433 -4.092 1.00 0.00 H new ATOM 125 N LEU A 12 7.519 -6.835 1.966 1.00 0.00 N ATOM 126 CA LEU A 12 8.018 -5.714 2.755 1.00 0.00 C ATOM 127 C LEU A 12 9.391 -6.027 3.344 1.00 0.00 C ATOM 128 O LEU A 12 10.235 -5.143 3.481 1.00 0.00 O ATOM 129 CB LEU A 12 7.036 -5.372 3.875 1.00 0.00 C ATOM 130 CG LEU A 12 5.732 -4.717 3.415 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.861 -4.365 4.611 1.00 0.00 C ATOM 132 CD2 LEU A 12 6.026 -3.477 2.584 1.00 0.00 C ATOM 0 H LEU A 12 6.609 -7.187 2.263 1.00 0.00 H new ATOM 0 HA LEU A 12 8.116 -4.854 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.794 -6.286 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.531 -4.705 4.580 1.00 0.00 H new ATOM 0 HG LEU A 12 5.188 -5.428 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.938 -3.900 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.624 -5.272 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.396 -3.671 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.088 -3.023 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.590 -2.762 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.611 -3.757 1.708 1.00 0.00 H new ATOM 144 N SER A 13 9.604 -7.293 3.691 1.00 0.00 N ATOM 145 CA SER A 13 10.874 -7.723 4.266 1.00 0.00 C ATOM 146 C SER A 13 11.990 -7.660 3.227 1.00 0.00 C ATOM 147 O SER A 13 13.148 -7.413 3.560 1.00 0.00 O ATOM 148 CB SER A 13 10.753 -9.145 4.815 1.00 0.00 C ATOM 149 OG SER A 13 10.392 -9.134 6.186 1.00 0.00 O ATOM 0 H SER A 13 8.915 -8.037 3.584 1.00 0.00 H new ATOM 0 HA SER A 13 11.123 -7.045 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.006 -9.696 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.701 -9.668 4.690 1.00 0.00 H new ATOM 0 HG SER A 13 10.319 -10.055 6.513 1.00 0.00 H new ATOM 155 N ALA A 14 11.631 -7.884 1.967 1.00 0.00 N ATOM 156 CA ALA A 14 12.600 -7.852 0.879 1.00 0.00 C ATOM 157 C ALA A 14 12.986 -6.419 0.530 1.00 0.00 C ATOM 158 O ALA A 14 14.149 -6.129 0.249 1.00 0.00 O ATOM 159 CB ALA A 14 12.042 -8.564 -0.344 1.00 0.00 C ATOM 0 H ALA A 14 10.676 -8.090 1.675 1.00 0.00 H new ATOM 0 HA ALA A 14 13.499 -8.372 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.776 -8.533 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.823 -9.602 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.127 -8.068 -0.668 1.00 0.00 H new ATOM 165 N LEU A 15 12.002 -5.526 0.549 1.00 0.00 N ATOM 166 CA LEU A 15 12.238 -4.122 0.235 1.00 0.00 C ATOM 167 C LEU A 15 12.929 -3.413 1.395 1.00 0.00 C ATOM 168 O LEU A 15 14.008 -2.844 1.233 1.00 0.00 O ATOM 169 CB LEU A 15 10.918 -3.421 -0.093 1.00 0.00 C ATOM 170 CG LEU A 15 10.087 -4.088 -1.190 1.00 0.00 C ATOM 171 CD1 LEU A 15 8.601 -3.930 -0.906 1.00 0.00 C ATOM 172 CD2 LEU A 15 10.435 -3.502 -2.550 1.00 0.00 C ATOM 0 H LEU A 15 11.034 -5.750 0.779 1.00 0.00 H new ATOM 0 HA LEU A 15 12.892 -4.076 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.317 -3.367 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.133 -2.396 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 15 10.323 -5.152 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.026 -4.411 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.362 -4.395 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.349 -2.870 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.835 -3.987 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.227 -2.432 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.492 -3.666 -2.757 1.00 0.00 H new ATOM 184 N GLY A 16 12.299 -3.451 2.565 1.00 0.00 N ATOM 185 CA GLY A 16 12.867 -2.808 3.736 1.00 0.00 C ATOM 186 C GLY A 16 11.966 -1.727 4.298 1.00 0.00 C ATOM 187 O GLY A 16 12.441 -0.684 4.746 1.00 0.00 O ATOM 0 H GLY A 16 11.405 -3.916 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.052 -3.558 4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.832 -2.373 3.476 1.00 0.00 H new ATOM 191 N LEU A 17 10.660 -1.975 4.274 1.00 0.00 N ATOM 192 CA LEU A 17 9.689 -1.015 4.786 1.00 0.00 C ATOM 193 C LEU A 17 8.674 -1.701 5.695 1.00 0.00 C ATOM 194 O LEU A 17 8.423 -2.900 5.568 1.00 0.00 O ATOM 195 CB LEU A 17 8.969 -0.321 3.628 1.00 0.00 C ATOM 196 CG LEU A 17 8.414 1.067 3.950 1.00 0.00 C ATOM 197 CD1 LEU A 17 9.463 2.136 3.685 1.00 0.00 C ATOM 198 CD2 LEU A 17 7.156 1.339 3.138 1.00 0.00 C ATOM 0 H LEU A 17 10.250 -2.833 3.905 1.00 0.00 H new ATOM 0 HA LEU A 17 10.226 -0.268 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.661 -0.234 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.147 -0.957 3.298 1.00 0.00 H new ATOM 0 HG LEU A 17 8.154 1.097 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.050 3.117 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.337 1.951 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.755 2.107 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.774 2.331 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.391 1.290 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.400 0.591 3.377 1.00 0.00 H new ATOM 210 N ARG A 18 8.093 -0.934 6.611 1.00 0.00 N ATOM 211 CA ARG A 18 7.106 -1.468 7.541 1.00 0.00 C ATOM 212 C ARG A 18 5.711 -0.947 7.214 1.00 0.00 C ATOM 213 O ARG A 18 5.553 -0.030 6.408 1.00 0.00 O ATOM 214 CB ARG A 18 7.478 -1.100 8.979 1.00 0.00 C ATOM 215 CG ARG A 18 8.327 -2.151 9.676 1.00 0.00 C ATOM 216 CD ARG A 18 8.317 -1.963 11.184 1.00 0.00 C ATOM 217 NE ARG A 18 9.468 -1.192 11.648 1.00 0.00 N ATOM 218 CZ ARG A 18 10.721 -1.638 11.612 1.00 0.00 C ATOM 219 NH1 ARG A 18 10.990 -2.848 11.134 1.00 0.00 N ATOM 220 NH2 ARG A 18 11.710 -0.873 12.053 1.00 0.00 N ATOM 0 H ARG A 18 8.289 0.060 6.729 1.00 0.00 H new ATOM 0 HA ARG A 18 7.100 -2.553 7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.018 -0.153 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.565 -0.944 9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.953 -3.145 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.351 -2.096 9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.398 -1.456 11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.314 -2.938 11.671 1.00 0.00 H new ATOM 0 HE ARG A 18 9.301 -0.257 12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.234 -3.441 10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.953 -3.184 11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.510 0.058 12.420 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.671 -1.215 12.025 1.00 0.00 H new ATOM 234 N LEU A 19 4.702 -1.538 7.846 1.00 0.00 N ATOM 235 CA LEU A 19 3.318 -1.135 7.623 1.00 0.00 C ATOM 236 C LEU A 19 3.030 0.210 8.282 1.00 0.00 C ATOM 237 O LEU A 19 3.621 0.550 9.308 1.00 0.00 O ATOM 238 CB LEU A 19 2.362 -2.198 8.167 1.00 0.00 C ATOM 239 CG LEU A 19 2.415 -3.546 7.444 1.00 0.00 C ATOM 240 CD1 LEU A 19 2.408 -4.692 8.444 1.00 0.00 C ATOM 241 CD2 LEU A 19 1.249 -3.676 6.474 1.00 0.00 C ATOM 0 H LEU A 19 4.817 -2.298 8.517 1.00 0.00 H new ATOM 0 HA LEU A 19 3.164 -1.033 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.584 -2.359 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.344 -1.812 8.111 1.00 0.00 H new ATOM 0 HG LEU A 19 3.344 -3.594 6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.446 -5.641 7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.276 -4.609 9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.497 -4.648 9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.302 -4.640 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.310 -3.605 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.299 -2.876 5.735 1.00 0.00 H new ATOM 253 N GLY A 20 2.119 0.972 7.687 1.00 0.00 N ATOM 254 CA GLY A 20 1.769 2.271 8.231 1.00 0.00 C ATOM 255 C GLY A 20 2.492 3.406 7.534 1.00 0.00 C ATOM 256 O GLY A 20 1.923 4.477 7.323 1.00 0.00 O ATOM 0 H GLY A 20 1.617 0.713 6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.693 2.421 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.007 2.292 9.295 1.00 0.00 H new ATOM 260 N ASP A 21 3.750 3.172 7.175 1.00 0.00 N ATOM 261 CA ASP A 21 4.553 4.184 6.498 1.00 0.00 C ATOM 262 C ASP A 21 3.959 4.527 5.136 1.00 0.00 C ATOM 263 O ASP A 21 3.080 3.825 4.636 1.00 0.00 O ATOM 264 CB ASP A 21 5.995 3.697 6.336 1.00 0.00 C ATOM 265 CG ASP A 21 7.008 4.721 6.808 1.00 0.00 C ATOM 266 OD1 ASP A 21 7.253 5.699 6.071 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.556 4.546 7.917 1.00 0.00 O ATOM 0 H ASP A 21 4.235 2.291 7.342 1.00 0.00 H new ATOM 0 HA ASP A 21 4.551 5.086 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.128 2.772 6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.181 3.463 5.288 1.00 0.00 H new ATOM 272 N ARG A 22 4.446 5.610 4.539 1.00 0.00 N ATOM 273 CA ARG A 22 3.964 6.047 3.233 1.00 0.00 C ATOM 274 C ARG A 22 4.746 5.371 2.111 1.00 0.00 C ATOM 275 O ARG A 22 5.820 4.814 2.337 1.00 0.00 O ATOM 276 CB ARG A 22 4.077 7.566 3.106 1.00 0.00 C ATOM 277 CG ARG A 22 3.164 8.325 4.056 1.00 0.00 C ATOM 278 CD ARG A 22 3.796 9.630 4.512 1.00 0.00 C ATOM 279 NE ARG A 22 4.422 9.506 5.826 1.00 0.00 N ATOM 280 CZ ARG A 22 3.742 9.351 6.960 1.00 0.00 C ATOM 281 NH1 ARG A 22 2.416 9.304 6.945 1.00 0.00 N ATOM 282 NH2 ARG A 22 4.389 9.244 8.113 1.00 0.00 N ATOM 0 H ARG A 22 5.174 6.202 4.939 1.00 0.00 H new ATOM 0 HA ARG A 22 2.916 5.760 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.109 7.862 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.843 7.855 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.215 8.532 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.943 7.704 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.543 9.945 3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.035 10.409 4.545 1.00 0.00 H new ATOM 0 HE ARG A 22 5.440 9.540 5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.913 9.387 6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.900 9.185 7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.408 9.280 8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.867 9.125 8.981 1.00 0.00 H new ATOM 296 N VAL A 23 4.200 5.425 0.900 1.00 0.00 N ATOM 297 CA VAL A 23 4.845 4.820 -0.257 1.00 0.00 C ATOM 298 C VAL A 23 4.658 5.679 -1.504 1.00 0.00 C ATOM 299 O VAL A 23 3.649 6.366 -1.650 1.00 0.00 O ATOM 300 CB VAL A 23 4.294 3.409 -0.534 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.821 2.418 0.492 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.773 3.421 -0.540 1.00 0.00 C ATOM 0 H VAL A 23 3.311 5.882 0.696 1.00 0.00 H new ATOM 0 HA VAL A 23 5.907 4.748 -0.024 1.00 0.00 H new ATOM 0 HB VAL A 23 4.636 3.093 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.421 1.427 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.909 2.388 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.511 2.728 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.402 2.415 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.408 3.759 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.418 4.098 -1.317 1.00 0.00 H new ATOM 312 N LEU A 24 5.638 5.632 -2.401 1.00 0.00 N ATOM 313 CA LEU A 24 5.581 6.404 -3.636 1.00 0.00 C ATOM 314 C LEU A 24 5.015 5.566 -4.776 1.00 0.00 C ATOM 315 O LEU A 24 5.672 4.650 -5.273 1.00 0.00 O ATOM 316 CB LEU A 24 6.975 6.917 -4.006 1.00 0.00 C ATOM 317 CG LEU A 24 6.993 8.195 -4.847 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.459 9.370 -4.043 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.401 8.483 -5.345 1.00 0.00 C ATOM 0 H LEU A 24 6.481 5.067 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 24 4.920 7.255 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.535 7.096 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.501 6.134 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 24 6.345 8.049 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.479 10.270 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.434 9.164 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.080 9.519 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.396 9.395 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.069 8.610 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.748 7.651 -5.958 1.00 0.00 H new ATOM 331 N LEU A 25 3.791 5.883 -5.187 1.00 0.00 N ATOM 332 CA LEU A 25 3.135 5.158 -6.268 1.00 0.00 C ATOM 333 C LEU A 25 3.467 5.779 -7.621 1.00 0.00 C ATOM 334 O LEU A 25 3.230 6.966 -7.846 1.00 0.00 O ATOM 335 CB LEU A 25 1.620 5.146 -6.057 1.00 0.00 C ATOM 336 CG LEU A 25 1.160 4.629 -4.694 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.333 4.852 -4.513 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.503 3.154 -4.541 1.00 0.00 C ATOM 0 H LEU A 25 3.234 6.638 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 25 3.504 4.132 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.242 6.160 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.165 4.531 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 25 1.685 5.187 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.641 4.477 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.552 5.918 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.877 4.321 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.169 2.802 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.005 2.582 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.582 3.021 -4.625 1.00 0.00 H new ATOM 350 N ASP A 26 4.016 4.968 -8.520 1.00 0.00 N ATOM 351 CA ASP A 26 4.380 5.435 -9.852 1.00 0.00 C ATOM 352 C ASP A 26 5.393 6.575 -9.776 1.00 0.00 C ATOM 353 O ASP A 26 5.494 7.390 -10.693 1.00 0.00 O ATOM 354 CB ASP A 26 3.135 5.897 -10.612 1.00 0.00 C ATOM 355 CG ASP A 26 2.237 4.740 -11.005 1.00 0.00 C ATOM 356 OD1 ASP A 26 2.606 3.991 -11.934 1.00 0.00 O ATOM 357 OD2 ASP A 26 1.164 4.584 -10.385 1.00 0.00 O ATOM 0 H ASP A 26 4.219 3.983 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 26 4.838 4.602 -10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.573 6.596 -9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.439 6.438 -11.508 1.00 0.00 H new ATOM 362 N GLY A 27 6.143 6.627 -8.678 1.00 0.00 N ATOM 363 CA GLY A 27 7.137 7.670 -8.506 1.00 0.00 C ATOM 364 C GLY A 27 6.557 9.063 -8.658 1.00 0.00 C ATOM 365 O GLY A 27 7.262 10.000 -9.030 1.00 0.00 O ATOM 0 H GLY A 27 6.079 5.965 -7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.590 7.575 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.934 7.531 -9.237 1.00 0.00 H new ATOM 369 N GLN A 28 5.267 9.199 -8.369 1.00 0.00 N ATOM 370 CA GLN A 28 4.592 10.487 -8.476 1.00 0.00 C ATOM 371 C GLN A 28 3.513 10.628 -7.405 1.00 0.00 C ATOM 372 O GLN A 28 3.490 11.606 -6.658 1.00 0.00 O ATOM 373 CB GLN A 28 3.974 10.648 -9.868 1.00 0.00 C ATOM 374 CG GLN A 28 4.372 11.939 -10.564 1.00 0.00 C ATOM 375 CD GLN A 28 3.543 13.125 -10.113 1.00 0.00 C ATOM 376 OE1 GLN A 28 3.617 13.545 -8.959 1.00 0.00 O ATOM 377 NE2 GLN A 28 2.745 13.670 -11.024 1.00 0.00 N ATOM 0 H GLN A 28 4.668 8.433 -8.059 1.00 0.00 H new ATOM 0 HA GLN A 28 5.333 11.272 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.272 9.803 -10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.888 10.612 -9.781 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.425 12.142 -10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.265 11.814 -11.642 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.716 13.289 -11.970 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.162 14.470 -10.778 1.00 0.00 H new ATOM 386 N LYS A 29 2.623 9.644 -7.337 1.00 0.00 N ATOM 387 CA LYS A 29 1.543 9.658 -6.358 1.00 0.00 C ATOM 388 C LYS A 29 2.054 9.264 -4.977 1.00 0.00 C ATOM 389 O LYS A 29 3.165 8.753 -4.839 1.00 0.00 O ATOM 390 CB LYS A 29 0.423 8.710 -6.789 1.00 0.00 C ATOM 391 CG LYS A 29 -0.519 9.309 -7.821 1.00 0.00 C ATOM 392 CD LYS A 29 -0.163 8.858 -9.229 1.00 0.00 C ATOM 393 CE LYS A 29 -0.481 9.934 -10.255 1.00 0.00 C ATOM 394 NZ LYS A 29 0.190 9.674 -11.559 1.00 0.00 N ATOM 0 H LYS A 29 2.628 8.827 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 29 1.150 10.673 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.865 7.801 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.152 8.418 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.544 9.017 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.478 10.397 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.898 8.611 -9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.713 7.949 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.559 9.985 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.167 10.905 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.052 10.430 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.220 9.651 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.129 8.759 -11.937 1.00 0.00 H new ATOM 408 N THR A 30 1.237 9.505 -3.956 1.00 0.00 N ATOM 409 CA THR A 30 1.607 9.175 -2.586 1.00 0.00 C ATOM 410 C THR A 30 0.445 8.512 -1.852 1.00 0.00 C ATOM 411 O THR A 30 -0.676 9.019 -1.861 1.00 0.00 O ATOM 412 CB THR A 30 2.046 10.434 -1.836 1.00 0.00 C ATOM 413 OG1 THR A 30 1.168 11.511 -2.110 1.00 0.00 O ATOM 414 CG2 THR A 30 3.448 10.883 -2.189 1.00 0.00 C ATOM 0 H THR A 30 0.314 9.928 -4.053 1.00 0.00 H new ATOM 0 HA THR A 30 2.439 8.472 -2.621 1.00 0.00 H new ATOM 0 HB THR A 30 2.024 10.164 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.246 11.180 -2.146 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.696 11.780 -1.622 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.156 10.091 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.503 11.101 -3.256 1.00 0.00 H new ATOM 422 N GLY A 31 0.721 7.375 -1.221 1.00 0.00 N ATOM 423 CA GLY A 31 -0.312 6.663 -0.494 1.00 0.00 C ATOM 424 C GLY A 31 0.203 6.047 0.792 1.00 0.00 C ATOM 425 O GLY A 31 1.411 5.897 0.977 1.00 0.00 O ATOM 0 H GLY A 31 1.641 6.935 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.128 7.348 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.724 5.879 -1.129 1.00 0.00 H new ATOM 429 N THR A 32 -0.714 5.689 1.685 1.00 0.00 N ATOM 430 CA THR A 32 -0.347 5.086 2.961 1.00 0.00 C ATOM 431 C THR A 32 -0.560 3.577 2.930 1.00 0.00 C ATOM 432 O THR A 32 -1.540 3.089 2.367 1.00 0.00 O ATOM 433 CB THR A 32 -1.163 5.706 4.095 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.307 7.103 3.905 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.550 5.490 5.462 1.00 0.00 C ATOM 0 H THR A 32 -1.718 5.806 1.548 1.00 0.00 H new ATOM 0 HA THR A 32 0.711 5.281 3.136 1.00 0.00 H new ATOM 0 HB THR A 32 -2.129 5.201 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.834 7.481 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.179 5.955 6.221 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.472 4.421 5.661 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.443 5.938 5.490 1.00 0.00 H new ATOM 443 N LEU A 33 0.364 2.841 3.539 1.00 0.00 N ATOM 444 CA LEU A 33 0.276 1.386 3.581 1.00 0.00 C ATOM 445 C LEU A 33 -0.628 0.928 4.721 1.00 0.00 C ATOM 446 O LEU A 33 -0.703 1.573 5.766 1.00 0.00 O ATOM 447 CB LEU A 33 1.670 0.774 3.745 1.00 0.00 C ATOM 448 CG LEU A 33 1.789 -0.688 3.311 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.323 -0.858 1.874 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.221 -1.174 3.472 1.00 0.00 C ATOM 0 H LEU A 33 1.182 3.228 4.010 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.155 1.046 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.381 1.367 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.964 0.852 4.792 1.00 0.00 H new ATOM 0 HG LEU A 33 1.147 -1.292 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.415 -1.904 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.281 -0.548 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.938 -0.243 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.289 -2.216 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.883 -0.566 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.519 -1.089 4.517 1.00 0.00 H new ATOM 462 N ARG A 34 -1.315 -0.191 4.510 1.00 0.00 N ATOM 463 CA ARG A 34 -2.215 -0.737 5.519 1.00 0.00 C ATOM 464 C ARG A 34 -2.154 -2.261 5.534 1.00 0.00 C ATOM 465 O ARG A 34 -1.910 -2.872 6.575 1.00 0.00 O ATOM 466 CB ARG A 34 -3.650 -0.276 5.256 1.00 0.00 C ATOM 467 CG ARG A 34 -3.878 1.199 5.543 1.00 0.00 C ATOM 468 CD ARG A 34 -5.354 1.508 5.746 1.00 0.00 C ATOM 469 NE ARG A 34 -5.657 1.841 7.136 1.00 0.00 N ATOM 470 CZ ARG A 34 -5.421 3.033 7.681 1.00 0.00 C ATOM 471 NH1 ARG A 34 -4.878 4.004 6.959 1.00 0.00 N ATOM 472 NH2 ARG A 34 -5.729 3.251 8.952 1.00 0.00 N ATOM 0 H ARG A 34 -1.265 -0.737 3.650 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.895 -0.368 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.903 -0.478 4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.331 -0.866 5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.319 1.488 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.491 1.795 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.642 2.340 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.950 0.648 5.441 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.074 1.118 7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.639 3.840 5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.699 4.915 7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.146 2.506 9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.549 4.163 9.371 1.00 0.00 H new ATOM 486 N PHE A 35 -2.377 -2.868 4.373 1.00 0.00 N ATOM 487 CA PHE A 35 -2.347 -4.322 4.252 1.00 0.00 C ATOM 488 C PHE A 35 -1.232 -4.766 3.311 1.00 0.00 C ATOM 489 O PHE A 35 -0.836 -4.027 2.408 1.00 0.00 O ATOM 490 CB PHE A 35 -3.696 -4.838 3.746 1.00 0.00 C ATOM 491 CG PHE A 35 -3.754 -6.334 3.610 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.573 -7.150 4.714 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.988 -6.921 2.378 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.625 -8.526 4.593 1.00 0.00 C ATOM 495 CE2 PHE A 35 -4.042 -8.296 2.249 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.860 -9.100 3.358 1.00 0.00 C ATOM 0 H PHE A 35 -2.580 -2.376 3.503 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.152 -4.742 5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.480 -4.513 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.909 -4.385 2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.389 -6.706 5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.130 -6.297 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.482 -9.151 5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.226 -8.742 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.901 -10.175 3.260 1.00 0.00 H new ATOM 506 N CYS A 36 -0.731 -5.977 3.527 1.00 0.00 N ATOM 507 CA CYS A 36 0.338 -6.522 2.698 1.00 0.00 C ATOM 508 C CYS A 36 0.313 -8.047 2.713 1.00 0.00 C ATOM 509 O CYS A 36 -0.083 -8.662 3.703 1.00 0.00 O ATOM 510 CB CYS A 36 1.698 -6.018 3.187 1.00 0.00 C ATOM 511 SG CYS A 36 2.055 -4.304 2.736 1.00 0.00 S ATOM 0 H CYS A 36 -1.048 -6.600 4.269 1.00 0.00 H new ATOM 0 HA CYS A 36 0.179 -6.183 1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.740 -6.113 4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.479 -6.660 2.780 1.00 0.00 H new ATOM 0 HG CYS A 36 0.939 -3.658 2.567 1.00 0.00 H new ATOM 517 N GLY A 37 0.740 -8.652 1.608 1.00 0.00 N ATOM 518 CA GLY A 37 0.759 -10.100 1.515 1.00 0.00 C ATOM 519 C GLY A 37 -0.134 -10.623 0.408 1.00 0.00 C ATOM 520 O GLY A 37 -0.224 -10.021 -0.662 1.00 0.00 O ATOM 0 H GLY A 37 1.073 -8.165 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.781 -10.436 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.440 -10.526 2.466 1.00 0.00 H new ATOM 524 N THR A 38 -0.796 -11.746 0.664 1.00 0.00 N ATOM 525 CA THR A 38 -1.687 -12.349 -0.319 1.00 0.00 C ATOM 526 C THR A 38 -3.113 -11.837 -0.151 1.00 0.00 C ATOM 527 O THR A 38 -3.449 -11.229 0.866 1.00 0.00 O ATOM 528 CB THR A 38 -1.663 -13.874 -0.192 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.069 -14.276 1.103 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.299 -14.474 -0.453 1.00 0.00 C ATOM 0 H THR A 38 -0.732 -12.257 1.544 1.00 0.00 H new ATOM 0 HA THR A 38 -1.334 -12.067 -1.311 1.00 0.00 H new ATOM 0 HB THR A 38 -2.354 -14.238 -0.952 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.049 -15.254 1.163 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.352 -15.558 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.021 -14.224 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.418 -14.074 0.264 1.00 0.00 H new ATOM 538 N THR A 39 -3.948 -12.087 -1.154 1.00 0.00 N ATOM 539 CA THR A 39 -5.340 -11.652 -1.117 1.00 0.00 C ATOM 540 C THR A 39 -6.277 -12.843 -0.950 1.00 0.00 C ATOM 541 O THR A 39 -5.854 -13.996 -1.033 1.00 0.00 O ATOM 542 CB THR A 39 -5.690 -10.887 -2.395 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.191 -11.562 -3.536 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.141 -9.477 -2.419 1.00 0.00 C ATOM 0 H THR A 39 -3.685 -12.588 -2.002 1.00 0.00 H new ATOM 0 HA THR A 39 -5.466 -10.991 -0.260 1.00 0.00 H new ATOM 0 HB THR A 39 -6.779 -10.835 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.460 -11.042 -3.930 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.426 -8.992 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.547 -8.914 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.054 -9.508 -2.343 1.00 0.00 H new ATOM 552 N GLU A 40 -7.554 -12.556 -0.714 1.00 0.00 N ATOM 553 CA GLU A 40 -8.552 -13.604 -0.535 1.00 0.00 C ATOM 554 C GLU A 40 -9.472 -13.690 -1.748 1.00 0.00 C ATOM 555 O GLU A 40 -10.694 -13.762 -1.613 1.00 0.00 O ATOM 556 CB GLU A 40 -9.374 -13.344 0.729 1.00 0.00 C ATOM 557 CG GLU A 40 -8.674 -13.773 2.009 1.00 0.00 C ATOM 558 CD GLU A 40 -7.801 -12.679 2.590 1.00 0.00 C ATOM 559 OE1 GLU A 40 -6.989 -12.103 1.834 1.00 0.00 O ATOM 560 OE2 GLU A 40 -7.927 -12.397 3.800 1.00 0.00 O ATOM 0 H GLU A 40 -7.921 -11.607 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.031 -14.555 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.605 -12.280 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.324 -13.872 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.421 -14.067 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.062 -14.652 1.807 1.00 0.00 H new ATOM 567 N PHE A 41 -8.877 -13.683 -2.937 1.00 0.00 N ATOM 568 CA PHE A 41 -9.641 -13.761 -4.176 1.00 0.00 C ATOM 569 C PHE A 41 -8.727 -14.039 -5.365 1.00 0.00 C ATOM 570 O PHE A 41 -9.047 -14.853 -6.230 1.00 0.00 O ATOM 571 CB PHE A 41 -10.413 -12.461 -4.405 1.00 0.00 C ATOM 572 CG PHE A 41 -9.567 -11.228 -4.263 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.804 -10.769 -5.325 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.536 -10.527 -3.068 1.00 0.00 C ATOM 575 CE1 PHE A 41 -8.025 -9.635 -5.198 1.00 0.00 C ATOM 576 CE2 PHE A 41 -8.758 -9.392 -2.934 1.00 0.00 C ATOM 577 CZ PHE A 41 -8.002 -8.946 -4.000 1.00 0.00 C ATOM 0 H PHE A 41 -7.867 -13.624 -3.068 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.348 -14.586 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.850 -12.479 -5.403 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.239 -12.409 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.819 -11.304 -6.263 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.126 -10.871 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.435 -9.288 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.742 -8.855 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.393 -8.060 -3.898 1.00 0.00 H new ATOM 587 N ALA A 42 -7.586 -13.357 -5.400 1.00 0.00 N ATOM 588 CA ALA A 42 -6.626 -13.530 -6.483 1.00 0.00 C ATOM 589 C ALA A 42 -5.414 -14.331 -6.019 1.00 0.00 C ATOM 590 O ALA A 42 -4.812 -15.070 -6.799 1.00 0.00 O ATOM 591 CB ALA A 42 -6.189 -12.176 -7.022 1.00 0.00 C ATOM 0 H ALA A 42 -7.305 -12.680 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.114 -14.088 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.472 -12.320 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.058 -11.637 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.723 -11.599 -6.223 1.00 0.00 H new ATOM 597 N SER A 43 -5.062 -14.181 -4.747 1.00 0.00 N ATOM 598 CA SER A 43 -3.921 -14.892 -4.181 1.00 0.00 C ATOM 599 C SER A 43 -2.634 -14.521 -4.909 1.00 0.00 C ATOM 600 O SER A 43 -2.333 -15.062 -5.973 1.00 0.00 O ATOM 601 CB SER A 43 -4.147 -16.402 -4.255 1.00 0.00 C ATOM 602 OG SER A 43 -5.397 -16.761 -3.691 1.00 0.00 O ATOM 0 H SER A 43 -5.550 -13.574 -4.088 1.00 0.00 H new ATOM 0 HA SER A 43 -3.823 -14.598 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.107 -16.728 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.345 -16.919 -3.728 1.00 0.00 H new ATOM 0 HG SER A 43 -5.517 -17.732 -3.753 1.00 0.00 H new ATOM 608 N GLY A 44 -1.877 -13.596 -4.328 1.00 0.00 N ATOM 609 CA GLY A 44 -0.629 -13.170 -4.936 1.00 0.00 C ATOM 610 C GLY A 44 -0.049 -11.940 -4.266 1.00 0.00 C ATOM 611 O GLY A 44 -0.636 -11.401 -3.327 1.00 0.00 O ATOM 0 H GLY A 44 -2.105 -13.134 -3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.094 -13.984 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.796 -12.960 -5.992 1.00 0.00 H new ATOM 615 N GLN A 45 1.107 -11.496 -4.748 1.00 0.00 N ATOM 616 CA GLN A 45 1.767 -10.321 -4.190 1.00 0.00 C ATOM 617 C GLN A 45 0.879 -9.088 -4.313 1.00 0.00 C ATOM 618 O GLN A 45 0.799 -8.472 -5.376 1.00 0.00 O ATOM 619 CB GLN A 45 3.101 -10.076 -4.897 1.00 0.00 C ATOM 620 CG GLN A 45 4.278 -10.776 -4.237 1.00 0.00 C ATOM 621 CD GLN A 45 4.699 -12.032 -4.975 1.00 0.00 C ATOM 622 OE1 GLN A 45 3.885 -12.681 -5.632 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.976 -12.379 -4.871 1.00 0.00 N ATOM 0 H GLN A 45 1.606 -11.932 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 45 1.953 -10.508 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.022 -10.413 -5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.296 -9.004 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.123 -10.089 -4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.014 -11.033 -3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.615 -11.811 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.318 -13.214 -5.347 1.00 0.00 H new ATOM 632 N TRP A 46 0.212 -8.734 -3.220 1.00 0.00 N ATOM 633 CA TRP A 46 -0.672 -7.575 -3.206 1.00 0.00 C ATOM 634 C TRP A 46 -0.495 -6.771 -1.922 1.00 0.00 C ATOM 635 O TRP A 46 -0.108 -7.312 -0.887 1.00 0.00 O ATOM 636 CB TRP A 46 -2.130 -8.017 -3.348 1.00 0.00 C ATOM 637 CG TRP A 46 -2.441 -8.612 -4.688 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.630 -9.933 -4.974 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.601 -7.905 -5.923 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.896 -10.092 -6.314 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.884 -8.862 -6.917 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.531 -6.557 -6.285 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.097 -8.511 -8.247 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -2.744 -6.211 -7.606 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.024 -7.184 -8.573 1.00 0.00 C ATOM 0 H TRP A 46 0.267 -9.233 -2.332 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.409 -6.939 -4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.358 -8.748 -2.572 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.781 -7.159 -3.179 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.578 -10.736 -4.254 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.073 -10.981 -6.782 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.314 -5.800 -5.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.312 -9.260 -8.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.694 -5.172 -7.897 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.186 -6.881 -9.597 1.00 0.00 H new ATOM 656 N VAL A 47 -0.782 -5.475 -1.998 1.00 0.00 N ATOM 657 CA VAL A 47 -0.654 -4.595 -0.842 1.00 0.00 C ATOM 658 C VAL A 47 -1.699 -3.485 -0.878 1.00 0.00 C ATOM 659 O VAL A 47 -1.945 -2.885 -1.924 1.00 0.00 O ATOM 660 CB VAL A 47 0.749 -3.964 -0.770 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.796 -5.021 -0.457 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.079 -3.242 -2.067 1.00 0.00 C ATOM 0 H VAL A 47 -1.104 -5.011 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.813 -5.210 0.044 1.00 0.00 H new ATOM 0 HB VAL A 47 0.755 -3.231 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.780 -4.555 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.569 -5.486 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.791 -5.781 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.074 -2.803 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.053 -3.951 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.346 -2.454 -2.241 1.00 0.00 H new ATOM 672 N GLY A 48 -2.310 -3.218 0.272 1.00 0.00 N ATOM 673 CA GLY A 48 -3.321 -2.180 0.349 1.00 0.00 C ATOM 674 C GLY A 48 -2.725 -0.808 0.595 1.00 0.00 C ATOM 675 O GLY A 48 -2.109 -0.569 1.634 1.00 0.00 O ATOM 0 H GLY A 48 -2.123 -3.701 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.892 -2.164 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.021 -2.418 1.150 1.00 0.00 H new ATOM 679 N VAL A 49 -2.909 0.096 -0.361 1.00 0.00 N ATOM 680 CA VAL A 49 -2.385 1.451 -0.244 1.00 0.00 C ATOM 681 C VAL A 49 -3.496 2.485 -0.388 1.00 0.00 C ATOM 682 O VAL A 49 -4.292 2.430 -1.325 1.00 0.00 O ATOM 683 CB VAL A 49 -1.302 1.729 -1.303 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.629 3.067 -1.041 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.278 0.604 -1.328 1.00 0.00 C ATOM 0 H VAL A 49 -3.418 -0.086 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.942 1.533 0.749 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.780 1.775 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.133 3.246 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.373 3.862 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.164 3.053 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.479 0.818 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.197 0.522 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.775 -0.335 -1.569 1.00 0.00 H new ATOM 695 N GLU A 50 -3.545 3.428 0.548 1.00 0.00 N ATOM 696 CA GLU A 50 -4.559 4.476 0.526 1.00 0.00 C ATOM 697 C GLU A 50 -4.037 5.723 -0.179 1.00 0.00 C ATOM 698 O GLU A 50 -3.038 6.311 0.236 1.00 0.00 O ATOM 699 CB GLU A 50 -4.993 4.825 1.951 1.00 0.00 C ATOM 700 CG GLU A 50 -6.415 5.353 2.042 1.00 0.00 C ATOM 701 CD GLU A 50 -6.506 6.657 2.812 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.900 7.654 2.367 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.184 6.679 3.863 1.00 0.00 O ATOM 0 H GLU A 50 -2.894 3.488 1.331 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.421 4.102 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.903 3.937 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.310 5.572 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.808 5.501 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.046 4.606 2.524 1.00 0.00 H new ATOM 710 N LEU A 51 -4.720 6.122 -1.247 1.00 0.00 N ATOM 711 CA LEU A 51 -4.325 7.301 -2.010 1.00 0.00 C ATOM 712 C LEU A 51 -4.700 8.579 -1.267 1.00 0.00 C ATOM 713 O LEU A 51 -5.823 8.721 -0.784 1.00 0.00 O ATOM 714 CB LEU A 51 -4.987 7.286 -3.390 1.00 0.00 C ATOM 715 CG LEU A 51 -4.398 6.280 -4.379 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.327 6.094 -5.568 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.021 6.732 -4.842 1.00 0.00 C ATOM 0 H LEU A 51 -5.549 5.647 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.242 7.278 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.048 7.071 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.913 8.284 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.293 5.320 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.891 5.375 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.292 5.725 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.465 7.049 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.617 6.004 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.102 7.703 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.356 6.813 -3.982 1.00 0.00 H new ATOM 729 N ASP A 52 -3.752 9.507 -1.182 1.00 0.00 N ATOM 730 CA ASP A 52 -3.983 10.774 -0.498 1.00 0.00 C ATOM 731 C ASP A 52 -5.071 11.581 -1.200 1.00 0.00 C ATOM 732 O ASP A 52 -6.028 12.030 -0.571 1.00 0.00 O ATOM 733 CB ASP A 52 -2.687 11.586 -0.435 1.00 0.00 C ATOM 734 CG ASP A 52 -1.984 11.447 0.901 1.00 0.00 C ATOM 735 OD1 ASP A 52 -1.464 10.349 1.187 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.951 12.439 1.660 1.00 0.00 O ATOM 0 H ASP A 52 -2.817 9.405 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.317 10.556 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.018 11.259 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.910 12.637 -0.618 1.00 0.00 H new ATOM 741 N GLU A 53 -4.916 11.760 -2.508 1.00 0.00 N ATOM 742 CA GLU A 53 -5.886 12.513 -3.296 1.00 0.00 C ATOM 743 C GLU A 53 -7.079 11.638 -3.673 1.00 0.00 C ATOM 744 O GLU A 53 -6.938 10.427 -3.850 1.00 0.00 O ATOM 745 CB GLU A 53 -5.226 13.071 -4.558 1.00 0.00 C ATOM 746 CG GLU A 53 -4.669 14.474 -4.386 1.00 0.00 C ATOM 747 CD GLU A 53 -4.031 15.008 -5.652 1.00 0.00 C ATOM 748 OE1 GLU A 53 -3.102 14.353 -6.171 1.00 0.00 O ATOM 749 OE2 GLU A 53 -4.460 16.080 -6.127 1.00 0.00 O ATOM 0 H GLU A 53 -4.129 11.395 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.246 13.342 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.419 12.404 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.956 13.076 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.472 15.144 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.930 14.472 -3.585 1.00 0.00 H new ATOM 756 N PRO A 54 -8.273 12.241 -3.801 1.00 0.00 N ATOM 757 CA PRO A 54 -9.492 11.508 -4.160 1.00 0.00 C ATOM 758 C PRO A 54 -9.318 10.681 -5.429 1.00 0.00 C ATOM 759 O PRO A 54 -9.582 11.156 -6.533 1.00 0.00 O ATOM 760 CB PRO A 54 -10.524 12.617 -4.383 1.00 0.00 C ATOM 761 CG PRO A 54 -10.030 13.764 -3.573 1.00 0.00 C ATOM 762 CD PRO A 54 -8.529 13.680 -3.608 1.00 0.00 C ATOM 0 HA PRO A 54 -9.777 10.792 -3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.599 12.881 -5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.517 12.304 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.378 14.711 -3.985 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.400 13.707 -2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.112 14.275 -4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.084 14.047 -2.683 1.00 0.00 H new ATOM 770 N GLU A 55 -8.872 9.439 -5.264 1.00 0.00 N ATOM 771 CA GLU A 55 -8.662 8.546 -6.396 1.00 0.00 C ATOM 772 C GLU A 55 -8.699 7.087 -5.951 1.00 0.00 C ATOM 773 O GLU A 55 -8.032 6.703 -4.991 1.00 0.00 O ATOM 774 CB GLU A 55 -7.325 8.851 -7.073 1.00 0.00 C ATOM 775 CG GLU A 55 -7.436 9.852 -8.213 1.00 0.00 C ATOM 776 CD GLU A 55 -7.118 9.240 -9.563 1.00 0.00 C ATOM 777 OE1 GLU A 55 -5.953 8.840 -9.774 1.00 0.00 O ATOM 778 OE2 GLU A 55 -8.033 9.162 -10.410 1.00 0.00 O ATOM 0 H GLU A 55 -8.649 9.029 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.468 8.710 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.629 9.237 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.900 7.923 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.446 10.262 -8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.757 10.684 -8.027 1.00 0.00 H new ATOM 785 N GLY A 56 -9.485 6.279 -6.657 1.00 0.00 N ATOM 786 CA GLY A 56 -9.596 4.872 -6.320 1.00 0.00 C ATOM 787 C GLY A 56 -10.883 4.255 -6.829 1.00 0.00 C ATOM 788 O GLY A 56 -11.762 4.959 -7.328 1.00 0.00 O ATOM 0 H GLY A 56 -10.046 6.574 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.747 4.333 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.544 4.755 -5.238 1.00 0.00 H new ATOM 792 N LYS A 57 -10.996 2.937 -6.702 1.00 0.00 N ATOM 793 CA LYS A 57 -12.187 2.225 -7.154 1.00 0.00 C ATOM 794 C LYS A 57 -12.695 1.272 -6.076 1.00 0.00 C ATOM 795 O LYS A 57 -13.290 0.238 -6.377 1.00 0.00 O ATOM 796 CB LYS A 57 -11.886 1.453 -8.441 1.00 0.00 C ATOM 797 CG LYS A 57 -12.537 2.055 -9.677 1.00 0.00 C ATOM 798 CD LYS A 57 -11.978 1.446 -10.952 1.00 0.00 C ATOM 799 CE LYS A 57 -10.559 1.922 -11.222 1.00 0.00 C ATOM 800 NZ LYS A 57 -10.439 3.402 -11.111 1.00 0.00 N ATOM 0 H LYS A 57 -10.278 2.340 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.966 2.960 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.807 1.417 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.226 0.424 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.614 1.894 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.376 3.133 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.989 0.359 -10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.618 1.711 -11.794 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.877 1.449 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.254 1.607 -12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.587 3.720 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.278 3.851 -11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.369 3.670 -10.109 1.00 0.00 H new ATOM 814 N ASN A 58 -12.455 1.628 -4.817 1.00 0.00 N ATOM 815 CA ASN A 58 -12.889 0.804 -3.695 1.00 0.00 C ATOM 816 C ASN A 58 -13.121 1.658 -2.452 1.00 0.00 C ATOM 817 O ASN A 58 -12.851 2.859 -2.452 1.00 0.00 O ATOM 818 CB ASN A 58 -11.851 -0.279 -3.398 1.00 0.00 C ATOM 819 CG ASN A 58 -12.161 -1.585 -4.103 1.00 0.00 C ATOM 820 OD1 ASN A 58 -13.117 -2.279 -3.757 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.350 -1.927 -5.098 1.00 0.00 N ATOM 0 H ASN A 58 -11.963 2.480 -4.549 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.831 0.328 -3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.866 0.072 -3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.807 -0.451 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.508 -2.795 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.569 -1.321 -5.351 1.00 0.00 H new ATOM 828 N ASP A 59 -13.622 1.030 -1.393 1.00 0.00 N ATOM 829 CA ASP A 59 -13.890 1.733 -0.143 1.00 0.00 C ATOM 830 C ASP A 59 -13.242 1.017 1.038 1.00 0.00 C ATOM 831 O ASP A 59 -13.682 1.161 2.179 1.00 0.00 O ATOM 832 CB ASP A 59 -15.398 1.854 0.084 1.00 0.00 C ATOM 833 CG ASP A 59 -15.969 3.133 -0.495 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.688 3.428 -1.676 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.696 3.841 0.233 1.00 0.00 O ATOM 0 H ASP A 59 -13.851 0.036 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.458 2.731 -0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.900 0.998 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.606 1.818 1.153 1.00 0.00 H new ATOM 840 N GLY A 60 -12.196 0.244 0.760 1.00 0.00 N ATOM 841 CA GLY A 60 -11.508 -0.479 1.813 1.00 0.00 C ATOM 842 C GLY A 60 -12.001 -1.906 1.959 1.00 0.00 C ATOM 843 O GLY A 60 -11.248 -2.790 2.370 1.00 0.00 O ATOM 0 H GLY A 60 -11.813 0.106 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.438 -0.488 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.644 0.047 2.758 1.00 0.00 H new ATOM 847 N SER A 61 -13.266 -2.132 1.622 1.00 0.00 N ATOM 848 CA SER A 61 -13.857 -3.462 1.719 1.00 0.00 C ATOM 849 C SER A 61 -14.293 -3.967 0.347 1.00 0.00 C ATOM 850 O SER A 61 -14.891 -3.228 -0.435 1.00 0.00 O ATOM 851 CB SER A 61 -15.053 -3.443 2.672 1.00 0.00 C ATOM 852 OG SER A 61 -14.629 -3.438 4.024 1.00 0.00 O ATOM 0 H SER A 61 -13.902 -1.412 1.279 1.00 0.00 H new ATOM 0 HA SER A 61 -13.099 -4.140 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.664 -2.562 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.682 -4.314 2.488 1.00 0.00 H new ATOM 0 HG SER A 61 -15.199 -2.833 4.543 1.00 0.00 H new ATOM 858 N VAL A 62 -13.990 -5.230 0.064 1.00 0.00 N ATOM 859 CA VAL A 62 -14.351 -5.834 -1.212 1.00 0.00 C ATOM 860 C VAL A 62 -15.090 -7.151 -1.005 1.00 0.00 C ATOM 861 O VAL A 62 -14.576 -8.071 -0.369 1.00 0.00 O ATOM 862 CB VAL A 62 -13.107 -6.089 -2.086 1.00 0.00 C ATOM 863 CG1 VAL A 62 -13.513 -6.577 -3.468 1.00 0.00 C ATOM 864 CG2 VAL A 62 -12.256 -4.830 -2.187 1.00 0.00 C ATOM 0 H VAL A 62 -13.496 -5.854 0.701 1.00 0.00 H new ATOM 0 HA VAL A 62 -15.006 -5.128 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.509 -6.868 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.621 -6.751 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.075 -7.506 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.135 -5.824 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.383 -5.030 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.844 -4.029 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.932 -4.529 -1.191 1.00 0.00 H new ATOM 874 N GLY A 63 -16.301 -7.234 -1.546 1.00 0.00 N ATOM 875 CA GLY A 63 -17.093 -8.443 -1.410 1.00 0.00 C ATOM 876 C GLY A 63 -17.499 -8.711 0.026 1.00 0.00 C ATOM 877 O GLY A 63 -18.424 -8.086 0.544 1.00 0.00 O ATOM 0 H GLY A 63 -16.748 -6.486 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.987 -8.359 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.523 -9.292 -1.788 1.00 0.00 H new ATOM 881 N GLY A 64 -16.805 -9.644 0.671 1.00 0.00 N ATOM 882 CA GLY A 64 -17.112 -9.979 2.049 1.00 0.00 C ATOM 883 C GLY A 64 -15.892 -9.916 2.947 1.00 0.00 C ATOM 884 O GLY A 64 -15.816 -10.621 3.954 1.00 0.00 O ATOM 0 H GLY A 64 -16.035 -10.174 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.872 -9.294 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.538 -10.982 2.090 1.00 0.00 H new ATOM 888 N VAL A 65 -14.934 -9.072 2.582 1.00 0.00 N ATOM 889 CA VAL A 65 -13.710 -8.919 3.360 1.00 0.00 C ATOM 890 C VAL A 65 -13.373 -7.448 3.570 1.00 0.00 C ATOM 891 O VAL A 65 -13.388 -6.656 2.627 1.00 0.00 O ATOM 892 CB VAL A 65 -12.519 -9.615 2.676 1.00 0.00 C ATOM 893 CG1 VAL A 65 -11.304 -9.619 3.592 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.891 -11.032 2.267 1.00 0.00 C ATOM 0 H VAL A 65 -14.981 -8.482 1.751 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.889 -9.389 4.327 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.265 -9.056 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.473 -10.115 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.024 -8.593 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.544 -10.152 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.037 -11.508 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.174 -11.603 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.729 -11.002 1.571 1.00 0.00 H new ATOM 904 N ARG A 66 -13.068 -7.087 4.812 1.00 0.00 N ATOM 905 CA ARG A 66 -12.727 -5.709 5.145 1.00 0.00 C ATOM 906 C ARG A 66 -11.227 -5.562 5.380 1.00 0.00 C ATOM 907 O ARG A 66 -10.651 -6.243 6.230 1.00 0.00 O ATOM 908 CB ARG A 66 -13.496 -5.256 6.387 1.00 0.00 C ATOM 909 CG ARG A 66 -13.239 -3.808 6.767 1.00 0.00 C ATOM 910 CD ARG A 66 -13.697 -3.515 8.187 1.00 0.00 C ATOM 911 NE ARG A 66 -15.152 -3.557 8.313 1.00 0.00 N ATOM 912 CZ ARG A 66 -15.825 -3.009 9.322 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.179 -2.376 10.294 1.00 0.00 N ATOM 914 NH2 ARG A 66 -17.148 -3.093 9.360 1.00 0.00 N ATOM 0 H ARG A 66 -13.050 -7.729 5.604 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.009 -5.078 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.563 -5.393 6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.224 -5.897 7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.175 -3.590 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.761 -3.150 6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.253 -4.241 8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.335 -2.532 8.489 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.683 -4.034 7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.162 -2.308 10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.700 -1.958 11.065 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.650 -3.578 8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.664 -2.673 10.133 1.00 0.00 H new ATOM 928 N TYR A 67 -10.599 -4.668 4.624 1.00 0.00 N ATOM 929 CA TYR A 67 -9.166 -4.431 4.750 1.00 0.00 C ATOM 930 C TYR A 67 -8.894 -3.185 5.587 1.00 0.00 C ATOM 931 O TYR A 67 -7.946 -3.148 6.372 1.00 0.00 O ATOM 932 CB TYR A 67 -8.528 -4.278 3.367 1.00 0.00 C ATOM 933 CG TYR A 67 -8.552 -5.547 2.545 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.686 -5.915 1.832 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.439 -6.378 2.483 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.710 -7.074 1.080 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.456 -7.538 1.733 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.593 -7.881 1.033 1.00 0.00 C ATOM 939 OH TYR A 67 -8.614 -9.036 0.284 1.00 0.00 O ATOM 0 H TYR A 67 -11.060 -4.095 3.917 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.724 -5.291 5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.049 -3.492 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.495 -3.952 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.563 -5.285 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.547 -6.112 3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.600 -7.347 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.583 -8.173 1.695 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.748 -9.489 0.357 1.00 0.00 H new ATOM 949 N PHE A 68 -9.731 -2.167 5.413 1.00 0.00 N ATOM 950 CA PHE A 68 -9.581 -0.919 6.152 1.00 0.00 C ATOM 951 C PHE A 68 -10.743 0.026 5.864 1.00 0.00 C ATOM 952 O PHE A 68 -11.553 -0.224 4.972 1.00 0.00 O ATOM 953 CB PHE A 68 -8.257 -0.243 5.790 1.00 0.00 C ATOM 954 CG PHE A 68 -7.966 -0.240 4.315 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.273 -1.288 3.731 1.00 0.00 C ATOM 956 CD2 PHE A 68 -8.386 0.810 3.516 1.00 0.00 C ATOM 957 CE1 PHE A 68 -7.004 -1.287 2.375 1.00 0.00 C ATOM 958 CE2 PHE A 68 -8.120 0.816 2.159 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.428 -0.234 1.589 1.00 0.00 C ATOM 0 H PHE A 68 -10.520 -2.182 4.767 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.582 -1.154 7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.273 0.785 6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.445 -0.751 6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.940 -2.114 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.927 1.634 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.463 -2.109 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.453 1.641 1.546 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.219 -0.232 0.529 1.00 0.00 H new ATOM 969 N ILE A 69 -10.818 1.113 6.626 1.00 0.00 N ATOM 970 CA ILE A 69 -11.881 2.095 6.453 1.00 0.00 C ATOM 971 C ILE A 69 -11.334 3.402 5.888 1.00 0.00 C ATOM 972 O ILE A 69 -10.536 4.082 6.531 1.00 0.00 O ATOM 973 CB ILE A 69 -12.599 2.388 7.785 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.973 1.081 8.486 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.836 3.239 7.543 1.00 0.00 C ATOM 976 CD1 ILE A 69 -13.464 1.275 9.904 1.00 0.00 C ATOM 0 H ILE A 69 -10.155 1.335 7.369 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.595 1.667 5.750 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.921 2.944 8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.747 0.577 7.908 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.104 0.423 8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.332 3.438 8.493 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.544 4.183 7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.519 2.708 6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -13.711 0.307 10.339 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -12.683 1.751 10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.352 1.907 9.898 1.00 0.00 H new ATOM 988 N CYS A 70 -11.770 3.745 4.680 1.00 0.00 N ATOM 989 CA CYS A 70 -11.323 4.971 4.027 1.00 0.00 C ATOM 990 C CYS A 70 -12.463 5.620 3.245 1.00 0.00 C ATOM 991 O CYS A 70 -13.451 4.964 2.914 1.00 0.00 O ATOM 992 CB CYS A 70 -10.149 4.676 3.090 1.00 0.00 C ATOM 993 SG CYS A 70 -10.570 3.612 1.690 1.00 0.00 S ATOM 0 H CYS A 70 -12.431 3.193 4.134 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.996 5.666 4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.756 5.619 2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.350 4.205 3.663 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.751 4.342 0.629 1.00 0.00 H new ATOM 999 N PRO A 71 -12.337 6.921 2.936 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.362 7.657 2.186 1.00 0.00 C ATOM 1001 C PRO A 71 -13.697 6.983 0.858 1.00 0.00 C ATOM 1002 O PRO A 71 -12.999 6.063 0.428 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.717 9.025 1.944 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.697 9.164 3.021 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.190 7.775 3.290 1.00 0.00 C ATOM 0 HA PRO A 71 -14.306 7.709 2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.258 9.076 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.456 9.825 1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.886 9.822 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.134 9.601 3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.314 7.543 2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.900 7.647 4.333 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.771 7.430 0.187 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.191 6.862 -1.100 1.00 0.00 C ATOM 1015 C PRO A 72 -14.122 7.019 -2.174 1.00 0.00 C ATOM 1016 O PRO A 72 -13.646 8.124 -2.434 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.443 7.669 -1.466 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.360 8.911 -0.647 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.659 8.521 0.622 1.00 0.00 C ATOM 0 HA PRO A 72 -15.372 5.789 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.465 7.900 -2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.351 7.110 -1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.809 9.690 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.353 9.308 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.098 9.354 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.362 8.189 1.386 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.745 5.904 -2.794 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.729 5.917 -3.839 1.00 0.00 C ATOM 1029 C LYS A 73 -11.401 6.437 -3.299 1.00 0.00 C ATOM 1030 O LYS A 73 -11.113 7.632 -3.375 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.185 6.781 -5.016 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.217 6.104 -5.903 1.00 0.00 C ATOM 1033 CD LYS A 73 -14.523 6.939 -7.137 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.250 6.127 -8.198 1.00 0.00 C ATOM 1035 NZ LYS A 73 -16.601 6.679 -8.491 1.00 0.00 N ATOM 0 H LYS A 73 -14.128 4.981 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.587 4.893 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.602 7.712 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.317 7.046 -5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.850 5.124 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.134 5.940 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.133 7.797 -6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.594 7.331 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.658 6.112 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.345 5.094 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.063 6.097 -9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.175 6.670 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.510 7.656 -8.835 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.595 5.532 -2.753 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.297 5.899 -2.199 1.00 0.00 C ATOM 1051 C GLN A 74 -8.411 4.670 -2.026 1.00 0.00 C ATOM 1052 O GLN A 74 -7.224 4.697 -2.350 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.475 6.608 -0.855 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.479 7.732 -0.623 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.985 8.765 0.364 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.095 9.279 0.229 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.170 9.074 1.367 1.00 0.00 N ATOM 0 H GLN A 74 -10.818 4.539 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.810 6.578 -2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.486 7.012 -0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.378 5.877 -0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.542 7.312 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.259 8.220 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.258 8.623 1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.456 9.762 2.063 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.997 3.594 -1.512 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.247 2.369 -1.304 1.00 0.00 C ATOM 1068 C GLY A 75 -7.832 1.715 -2.607 1.00 0.00 C ATOM 1069 O GLY A 75 -8.649 1.545 -3.513 1.00 0.00 O ATOM 0 H GLY A 75 -9.978 3.548 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.359 2.587 -0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.852 1.670 -0.727 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.558 1.346 -2.703 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.036 0.706 -3.904 1.00 0.00 C ATOM 1075 C LEU A 76 -5.090 -0.434 -3.546 1.00 0.00 C ATOM 1076 O LEU A 76 -4.103 -0.238 -2.838 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.309 1.731 -4.778 1.00 0.00 C ATOM 1078 CG LEU A 76 -4.917 1.233 -6.171 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -5.933 1.691 -7.206 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -3.523 1.718 -6.539 1.00 0.00 C ATOM 0 H LEU A 76 -5.869 1.480 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.878 0.294 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.946 2.608 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.408 2.055 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.908 0.143 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.638 1.328 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.916 1.294 -6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.974 2.780 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.262 1.354 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.504 2.808 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.803 1.340 -5.813 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.398 -1.630 -4.041 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.574 -2.803 -3.773 1.00 0.00 C ATOM 1094 C PHE A 77 -3.732 -3.166 -4.992 1.00 0.00 C ATOM 1095 O PHE A 77 -4.231 -3.754 -5.951 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.455 -3.990 -3.376 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.432 -3.672 -2.279 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.655 -3.090 -2.572 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -6.128 -3.957 -0.959 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -8.557 -2.797 -1.566 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -7.025 -3.666 0.051 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.242 -3.085 -0.253 1.00 0.00 C ATOM 0 H PHE A 77 -6.211 -1.811 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.903 -2.565 -2.948 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.004 -4.333 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.818 -4.814 -3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.906 -2.863 -3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.179 -4.412 -0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.507 -2.343 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.775 -3.892 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.945 -2.857 0.535 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.451 -2.812 -4.946 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.540 -3.101 -6.047 1.00 0.00 C ATOM 1114 C ALA A 78 -0.399 -4.005 -5.590 1.00 0.00 C ATOM 1115 O ALA A 78 -0.325 -4.386 -4.421 1.00 0.00 O ATOM 1116 CB ALA A 78 -0.989 -1.808 -6.628 1.00 0.00 C ATOM 0 H ALA A 78 -2.022 -2.325 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.099 -3.626 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.310 -2.038 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.811 -1.196 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.450 -1.262 -5.854 1.00 0.00 H new ATOM 1122 N SER A 79 0.488 -4.346 -6.520 1.00 0.00 N ATOM 1123 CA SER A 79 1.625 -5.205 -6.213 1.00 0.00 C ATOM 1124 C SER A 79 2.817 -4.381 -5.738 1.00 0.00 C ATOM 1125 O SER A 79 2.937 -3.199 -6.062 1.00 0.00 O ATOM 1126 CB SER A 79 2.016 -6.027 -7.442 1.00 0.00 C ATOM 1127 OG SER A 79 0.889 -6.689 -7.992 1.00 0.00 O ATOM 0 H SER A 79 0.441 -4.040 -7.492 1.00 0.00 H new ATOM 0 HA SER A 79 1.331 -5.881 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.461 -5.375 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.774 -6.760 -7.167 1.00 0.00 H new ATOM 0 HG SER A 79 0.578 -7.378 -7.369 1.00 0.00 H new ATOM 1133 N VAL A 80 3.698 -5.012 -4.969 1.00 0.00 N ATOM 1134 CA VAL A 80 4.881 -4.337 -4.449 1.00 0.00 C ATOM 1135 C VAL A 80 5.757 -3.816 -5.584 1.00 0.00 C ATOM 1136 O VAL A 80 6.359 -2.748 -5.477 1.00 0.00 O ATOM 1137 CB VAL A 80 5.718 -5.275 -3.559 1.00 0.00 C ATOM 1138 CG1 VAL A 80 5.018 -5.515 -2.231 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.989 -6.589 -4.275 1.00 0.00 C ATOM 0 H VAL A 80 3.615 -5.990 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 80 4.529 -3.498 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 80 6.676 -4.796 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.624 -6.180 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.883 -4.565 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.045 -5.973 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.581 -7.239 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.043 -7.077 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.537 -6.395 -5.197 1.00 0.00 H new ATOM 1149 N SER A 81 5.824 -4.579 -6.671 1.00 0.00 N ATOM 1150 CA SER A 81 6.627 -4.194 -7.826 1.00 0.00 C ATOM 1151 C SER A 81 6.143 -2.872 -8.415 1.00 0.00 C ATOM 1152 O SER A 81 6.908 -2.148 -9.052 1.00 0.00 O ATOM 1153 CB SER A 81 6.576 -5.289 -8.894 1.00 0.00 C ATOM 1154 OG SER A 81 7.667 -6.183 -8.759 1.00 0.00 O ATOM 0 H SER A 81 5.332 -5.466 -6.776 1.00 0.00 H new ATOM 0 HA SER A 81 7.657 -4.065 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.639 -5.839 -8.811 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.593 -4.836 -9.885 1.00 0.00 H new ATOM 0 HG SER A 81 7.611 -6.874 -9.451 1.00 0.00 H new ATOM 1160 N LYS A 82 4.868 -2.560 -8.197 1.00 0.00 N ATOM 1161 CA LYS A 82 4.286 -1.324 -8.708 1.00 0.00 C ATOM 1162 C LYS A 82 4.283 -0.237 -7.637 1.00 0.00 C ATOM 1163 O LYS A 82 3.383 0.602 -7.593 1.00 0.00 O ATOM 1164 CB LYS A 82 2.859 -1.574 -9.200 1.00 0.00 C ATOM 1165 CG LYS A 82 2.787 -2.453 -10.437 1.00 0.00 C ATOM 1166 CD LYS A 82 2.631 -1.625 -11.701 1.00 0.00 C ATOM 1167 CE LYS A 82 1.288 -0.915 -11.741 1.00 0.00 C ATOM 1168 NZ LYS A 82 0.994 -0.355 -13.089 1.00 0.00 N ATOM 0 H LYS A 82 4.220 -3.146 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 82 4.898 -0.983 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.284 -2.040 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.385 -0.616 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.690 -3.059 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.947 -3.142 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.434 -0.890 -11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.728 -2.270 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.500 -1.613 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.281 -0.111 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.069 0.121 -13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.732 0.331 -13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.975 -1.125 -13.788 1.00 0.00 H new ATOM 1182 N ILE A 83 5.295 -0.256 -6.775 1.00 0.00 N ATOM 1183 CA ILE A 83 5.407 0.729 -5.706 1.00 0.00 C ATOM 1184 C ILE A 83 6.867 1.024 -5.382 1.00 0.00 C ATOM 1185 O ILE A 83 7.747 0.199 -5.627 1.00 0.00 O ATOM 1186 CB ILE A 83 4.695 0.254 -4.426 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.289 -0.251 -4.755 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.634 1.380 -3.406 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.531 -0.759 -3.547 1.00 0.00 C ATOM 0 H ILE A 83 6.049 -0.943 -6.796 1.00 0.00 H new ATOM 0 HA ILE A 83 4.925 1.639 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 83 5.264 -0.570 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.721 0.556 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.362 -1.052 -5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.128 1.029 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.646 1.697 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.084 2.222 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.543 -1.101 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.078 -1.588 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.426 0.045 -2.819 1.00 0.00 H new ATOM 1201 N SER A 84 7.119 2.207 -4.832 1.00 0.00 N ATOM 1202 CA SER A 84 8.473 2.611 -4.474 1.00 0.00 C ATOM 1203 C SER A 84 8.512 3.199 -3.067 1.00 0.00 C ATOM 1204 O SER A 84 7.489 3.631 -2.536 1.00 0.00 O ATOM 1205 CB SER A 84 9.005 3.633 -5.480 1.00 0.00 C ATOM 1206 OG SER A 84 10.406 3.797 -5.348 1.00 0.00 O ATOM 0 H SER A 84 6.403 2.903 -4.624 1.00 0.00 H new ATOM 0 HA SER A 84 9.107 1.725 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.768 3.308 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.508 4.591 -5.328 1.00 0.00 H new ATOM 0 HG SER A 84 10.722 4.454 -6.003 1.00 0.00 H new ATOM 1212 N LYS A 85 9.699 3.213 -2.470 1.00 0.00 N ATOM 1213 CA LYS A 85 9.872 3.749 -1.125 1.00 0.00 C ATOM 1214 C LYS A 85 9.643 5.257 -1.108 1.00 0.00 C ATOM 1215 O LYS A 85 10.176 5.985 -1.945 1.00 0.00 O ATOM 1216 CB LYS A 85 11.273 3.426 -0.601 1.00 0.00 C ATOM 1217 CG LYS A 85 11.303 3.070 0.876 1.00 0.00 C ATOM 1218 CD LYS A 85 12.649 3.395 1.500 1.00 0.00 C ATOM 1219 CE LYS A 85 13.543 2.167 1.569 1.00 0.00 C ATOM 1220 NZ LYS A 85 14.471 2.218 2.732 1.00 0.00 N ATOM 0 H LYS A 85 10.555 2.859 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 85 9.133 3.281 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.684 2.595 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.923 4.284 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.517 3.615 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.090 2.008 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.143 4.173 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.499 3.794 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.925 1.272 1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.120 2.086 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.062 1.363 2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.079 3.058 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.921 2.269 3.613 1.00 0.00 H new ATOM 1234 N ALA A 86 8.849 5.719 -0.147 1.00 0.00 N ATOM 1235 CA ALA A 86 8.551 7.140 -0.022 1.00 0.00 C ATOM 1236 C ALA A 86 9.635 7.862 0.770 1.00 0.00 C ATOM 1237 O ALA A 86 10.514 7.229 1.356 1.00 0.00 O ATOM 1238 CB ALA A 86 7.193 7.338 0.637 1.00 0.00 C ATOM 0 H ALA A 86 8.401 5.130 0.555 1.00 0.00 H new ATOM 0 HA ALA A 86 8.524 7.569 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.983 8.404 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.421 6.865 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.201 6.887 1.629 1.00 0.00 H new ATOM 1244 N VAL A 87 9.566 9.189 0.784 1.00 0.00 N ATOM 1245 CA VAL A 87 10.540 10.003 1.504 1.00 0.00 C ATOM 1246 C VAL A 87 11.917 9.922 0.851 1.00 0.00 C ATOM 1247 O VAL A 87 12.391 10.892 0.260 1.00 0.00 O ATOM 1248 CB VAL A 87 10.655 9.574 2.980 1.00 0.00 C ATOM 1249 CG1 VAL A 87 11.532 10.547 3.754 1.00 0.00 C ATOM 1250 CG2 VAL A 87 9.277 9.469 3.613 1.00 0.00 C ATOM 0 H VAL A 87 8.844 9.725 0.304 1.00 0.00 H new ATOM 0 HA VAL A 87 10.182 11.032 1.462 1.00 0.00 H new ATOM 0 HB VAL A 87 11.124 8.591 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.601 10.227 4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.529 10.567 3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.095 11.545 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.377 9.165 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.779 10.437 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.685 8.729 3.075 1.00 0.00 H new ATOM 1260 N ASP A 88 12.554 8.760 0.960 1.00 0.00 N ATOM 1261 CA ASP A 88 13.877 8.555 0.379 1.00 0.00 C ATOM 1262 C ASP A 88 14.864 9.607 0.880 1.00 0.00 C ATOM 1263 O ASP A 88 15.538 10.268 0.091 1.00 0.00 O ATOM 1264 CB ASP A 88 13.797 8.597 -1.149 1.00 0.00 C ATOM 1265 CG ASP A 88 14.712 7.581 -1.804 1.00 0.00 C ATOM 1266 OD1 ASP A 88 14.377 6.378 -1.779 1.00 0.00 O ATOM 1267 OD2 ASP A 88 15.763 7.988 -2.343 1.00 0.00 O ATOM 0 H ASP A 88 12.176 7.946 1.445 1.00 0.00 H new ATOM 0 HA ASP A 88 14.235 7.574 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.769 8.411 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.060 9.596 -1.497 1.00 0.00 H new ATOM 1272 N ALA A 89 14.942 9.755 2.200 1.00 0.00 N ATOM 1273 CA ALA A 89 15.843 10.726 2.812 1.00 0.00 C ATOM 1274 C ALA A 89 15.396 12.155 2.516 1.00 0.00 C ATOM 1275 O ALA A 89 14.929 12.867 3.404 1.00 0.00 O ATOM 1276 CB ALA A 89 17.270 10.506 2.331 1.00 0.00 C ATOM 0 H ALA A 89 14.391 9.214 2.867 1.00 0.00 H new ATOM 0 HA ALA A 89 15.811 10.579 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 89 17.928 11.239 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 89 17.595 9.502 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 89 17.310 10.620 1.248 1.00 0.00 H new ATOM 1282 N SER A 90 15.543 12.567 1.261 1.00 0.00 N ATOM 1283 CA SER A 90 15.154 13.910 0.846 1.00 0.00 C ATOM 1284 C SER A 90 15.949 14.967 1.606 1.00 0.00 C ATOM 1285 O SER A 90 16.605 14.667 2.605 1.00 0.00 O ATOM 1286 CB SER A 90 13.656 14.122 1.072 1.00 0.00 C ATOM 1287 OG SER A 90 12.895 13.565 0.015 1.00 0.00 O ATOM 0 H SER A 90 15.929 11.990 0.514 1.00 0.00 H new ATOM 0 HA SER A 90 15.373 14.012 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.360 13.666 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.445 15.188 1.153 1.00 0.00 H new ATOM 0 HG SER A 90 12.720 12.619 0.201 1.00 0.00 H new ATOM 1293 N GLY A 91 15.887 16.205 1.127 1.00 0.00 N ATOM 1294 CA GLY A 91 16.605 17.287 1.773 1.00 0.00 C ATOM 1295 C GLY A 91 16.073 18.654 1.380 1.00 0.00 C ATOM 1296 O GLY A 91 15.199 18.755 0.519 1.00 0.00 O ATOM 0 H GLY A 91 15.352 16.478 0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.535 17.171 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.662 17.224 1.513 1.00 0.00 H new ATOM 1300 N PRO A 92 16.585 19.732 1.998 1.00 0.00 N ATOM 1301 CA PRO A 92 16.145 21.098 1.696 1.00 0.00 C ATOM 1302 C PRO A 92 16.199 21.407 0.204 1.00 0.00 C ATOM 1303 O PRO A 92 15.414 22.208 -0.304 1.00 0.00 O ATOM 1304 CB PRO A 92 17.144 21.970 2.458 1.00 0.00 C ATOM 1305 CG PRO A 92 17.627 21.108 3.573 1.00 0.00 C ATOM 1306 CD PRO A 92 17.630 19.703 3.037 1.00 0.00 C ATOM 0 HA PRO A 92 15.107 21.265 1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 92 17.967 22.283 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.671 22.877 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.626 21.406 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.975 21.193 4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 92 18.601 19.433 2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 92 17.402 18.975 3.816 1.00 0.00 H new ATOM 1314 N SER A 93 17.131 20.766 -0.495 1.00 0.00 N ATOM 1315 CA SER A 93 17.286 20.973 -1.931 1.00 0.00 C ATOM 1316 C SER A 93 17.701 19.680 -2.625 1.00 0.00 C ATOM 1317 O SER A 93 17.879 18.646 -1.980 1.00 0.00 O ATOM 1318 CB SER A 93 18.324 22.064 -2.200 1.00 0.00 C ATOM 1319 OG SER A 93 19.561 21.757 -1.582 1.00 0.00 O ATOM 0 H SER A 93 17.789 20.100 -0.091 1.00 0.00 H new ATOM 0 HA SER A 93 16.323 21.288 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.469 22.175 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 93 17.956 23.020 -1.828 1.00 0.00 H new ATOM 0 HG SER A 93 20.207 22.469 -1.771 1.00 0.00 H new ATOM 1325 N SER A 94 17.851 19.744 -3.944 1.00 0.00 N ATOM 1326 CA SER A 94 18.244 18.577 -4.726 1.00 0.00 C ATOM 1327 C SER A 94 19.702 18.212 -4.462 1.00 0.00 C ATOM 1328 O SER A 94 20.024 17.051 -4.212 1.00 0.00 O ATOM 1329 CB SER A 94 18.035 18.844 -6.218 1.00 0.00 C ATOM 1330 OG SER A 94 18.887 19.881 -6.676 1.00 0.00 O ATOM 0 H SER A 94 17.706 20.591 -4.494 1.00 0.00 H new ATOM 0 HA SER A 94 17.617 17.738 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.229 17.933 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.995 19.117 -6.400 1.00 0.00 H new ATOM 0 HG SER A 94 18.735 20.031 -7.632 1.00 0.00 H new ATOM 1336 N GLY A 95 20.577 19.210 -4.521 1.00 0.00 N ATOM 1337 CA GLY A 95 21.989 18.972 -4.286 1.00 0.00 C ATOM 1338 C GLY A 95 22.764 20.257 -4.065 1.00 0.00 C ATOM 1339 O GLY A 95 22.996 20.988 -5.051 1.00 0.00 O ATOM 1340 OXT GLY A 95 23.138 20.532 -2.905 1.00 0.00 O ATOM 0 H GLY A 95 20.334 20.179 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 95 22.106 18.326 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 95 22.411 18.438 -5.138 1.00 0.00 H new TER 1344 GLY A 95