USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 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 63 GLN : amide:sc= 0.568 K(o=1.3,f=-0.07) USER MOD Set 1.2: A 88 HIS : no HE2:sc= 0.706 K(o=1.3,f=-5!) USER MOD Set 2.1: A 67 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.36) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 58 ASN : amide:sc= 1.17 K(o=0.99,f=-7.1!) USER MOD Set 3.2: A 77 CYS SG : rot 58:sc= -0.42 USER MOD Set 3.3: A 83 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.23 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -38:sc= 0.0451 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -104:sc= -0.111 (180deg=-1.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= 1.87 (180deg=-0.774) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -36:sc= 0.69 USER MOD Single : A 30 SER OG : rot -91:sc= 1.22 USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.009 USER MOD Single : A 34 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot -157:sc= 1.35 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -75:sc= 0.00382 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 94 SER OG : rot 44:sc= 0.141 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.500 24.273 -16.283 1.00 0.00 N ATOM 2 CA GLY A 1 -1.839 24.881 -16.183 1.00 0.00 C ATOM 3 C GLY A 1 -2.810 23.844 -15.650 1.00 0.00 C ATOM 4 O GLY A 1 -2.367 22.739 -15.345 1.00 0.00 O ATOM 0 H1 GLY A 1 0.129 24.700 -15.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.570 23.249 -16.113 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.113 24.440 -17.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.812 25.747 -15.522 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.166 25.236 -17.160 1.00 0.00 H new ATOM 8 N SER A 2 -4.098 24.190 -15.553 1.00 0.00 N ATOM 9 CA SER A 2 -5.117 23.367 -14.896 1.00 0.00 C ATOM 10 C SER A 2 -4.761 23.129 -13.414 1.00 0.00 C ATOM 11 O SER A 2 -3.818 23.732 -12.901 1.00 0.00 O ATOM 12 CB SER A 2 -5.342 22.072 -15.701 1.00 0.00 C ATOM 13 OG SER A 2 -5.503 22.375 -17.077 1.00 0.00 O ATOM 0 H SER A 2 -4.466 25.062 -15.934 1.00 0.00 H new ATOM 0 HA SER A 2 -6.070 23.896 -14.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.496 21.399 -15.566 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.225 21.552 -15.329 1.00 0.00 H new ATOM 0 HG SER A 2 -5.644 21.546 -17.580 1.00 0.00 H new ATOM 19 N SER A 3 -5.534 22.298 -12.711 1.00 0.00 N ATOM 20 CA SER A 3 -5.235 21.835 -11.354 1.00 0.00 C ATOM 21 C SER A 3 -5.186 20.294 -11.321 1.00 0.00 C ATOM 22 O SER A 3 -4.940 19.688 -10.277 1.00 0.00 O ATOM 23 CB SER A 3 -6.250 22.470 -10.384 1.00 0.00 C ATOM 24 OG SER A 3 -5.867 22.316 -9.027 1.00 0.00 O ATOM 0 H SER A 3 -6.407 21.919 -13.079 1.00 0.00 H new ATOM 0 HA SER A 3 -4.247 22.157 -11.026 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.352 23.531 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.229 22.015 -10.537 1.00 0.00 H new ATOM 0 HG SER A 3 -5.466 21.431 -8.899 1.00 0.00 H new ATOM 30 N GLY A 4 -5.373 19.632 -12.463 1.00 0.00 N ATOM 31 CA GLY A 4 -5.282 18.201 -12.663 1.00 0.00 C ATOM 32 C GLY A 4 -4.983 17.947 -14.137 1.00 0.00 C ATOM 33 O GLY A 4 -5.072 18.863 -14.961 1.00 0.00 O ATOM 0 H GLY A 4 -5.608 20.122 -13.326 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.496 17.778 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.215 17.716 -12.375 1.00 0.00 H new ATOM 37 N SER A 5 -4.596 16.715 -14.454 1.00 0.00 N ATOM 38 CA SER A 5 -4.232 16.267 -15.791 1.00 0.00 C ATOM 39 C SER A 5 -4.406 14.748 -15.860 1.00 0.00 C ATOM 40 O SER A 5 -5.217 14.240 -16.635 1.00 0.00 O ATOM 41 CB SER A 5 -2.795 16.718 -16.110 1.00 0.00 C ATOM 42 OG SER A 5 -1.881 16.420 -15.057 1.00 0.00 O ATOM 0 H SER A 5 -4.525 15.973 -13.758 1.00 0.00 H new ATOM 0 HA SER A 5 -4.879 16.712 -16.547 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.460 16.231 -17.026 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.788 17.791 -16.299 1.00 0.00 H new ATOM 0 HG SER A 5 -0.983 16.723 -15.307 1.00 0.00 H new ATOM 48 N SER A 6 -3.679 14.025 -15.008 1.00 0.00 N ATOM 49 CA SER A 6 -3.774 12.591 -14.783 1.00 0.00 C ATOM 50 C SER A 6 -3.250 12.297 -13.376 1.00 0.00 C ATOM 51 O SER A 6 -2.466 13.086 -12.840 1.00 0.00 O ATOM 52 CB SER A 6 -2.931 11.837 -15.824 1.00 0.00 C ATOM 53 OG SER A 6 -3.289 12.213 -17.141 1.00 0.00 O ATOM 0 H SER A 6 -2.964 14.457 -14.422 1.00 0.00 H new ATOM 0 HA SER A 6 -4.809 12.263 -14.878 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.874 12.044 -15.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.069 10.763 -15.699 1.00 0.00 H new ATOM 0 HG SER A 6 -2.737 11.720 -17.783 1.00 0.00 H new ATOM 59 N GLY A 7 -3.634 11.157 -12.813 1.00 0.00 N ATOM 60 CA GLY A 7 -2.932 10.515 -11.712 1.00 0.00 C ATOM 61 C GLY A 7 -2.263 9.239 -12.219 1.00 0.00 C ATOM 62 O GLY A 7 -2.519 8.804 -13.354 1.00 0.00 O ATOM 0 H GLY A 7 -4.461 10.643 -13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.185 11.192 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.630 10.280 -10.908 1.00 0.00 H new ATOM 66 N GLN A 8 -1.433 8.633 -11.373 1.00 0.00 N ATOM 67 CA GLN A 8 -0.953 7.275 -11.567 1.00 0.00 C ATOM 68 C GLN A 8 -2.133 6.294 -11.535 1.00 0.00 C ATOM 69 O GLN A 8 -3.239 6.646 -11.118 1.00 0.00 O ATOM 70 CB GLN A 8 0.103 6.928 -10.502 1.00 0.00 C ATOM 71 CG GLN A 8 -0.348 6.991 -9.036 1.00 0.00 C ATOM 72 CD GLN A 8 0.438 5.990 -8.187 1.00 0.00 C ATOM 73 OE1 GLN A 8 1.644 6.123 -7.985 1.00 0.00 O ATOM 74 NE2 GLN A 8 -0.200 4.933 -7.708 1.00 0.00 N ATOM 0 H GLN A 8 -1.074 9.078 -10.528 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.476 7.194 -12.544 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.470 5.921 -10.702 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.948 7.605 -10.627 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.202 7.999 -8.648 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.414 6.775 -8.968 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.200 4.822 -7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.309 4.230 -7.172 1.00 0.00 H new ATOM 83 N ALA A 9 -1.878 5.046 -11.920 1.00 0.00 N ATOM 84 CA ALA A 9 -2.830 3.946 -11.786 1.00 0.00 C ATOM 85 C ALA A 9 -2.195 2.721 -11.112 1.00 0.00 C ATOM 86 O ALA A 9 -2.906 1.758 -10.841 1.00 0.00 O ATOM 87 CB ALA A 9 -3.413 3.610 -13.162 1.00 0.00 C ATOM 0 H ALA A 9 -0.992 4.766 -12.340 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.643 4.260 -11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.124 2.789 -13.065 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.922 4.485 -13.565 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.609 3.316 -13.836 1.00 0.00 H new ATOM 93 N GLU A 10 -0.893 2.779 -10.832 1.00 0.00 N ATOM 94 CA GLU A 10 0.013 1.722 -10.416 1.00 0.00 C ATOM 95 C GLU A 10 -0.587 0.800 -9.348 1.00 0.00 C ATOM 96 O GLU A 10 -0.572 1.090 -8.148 1.00 0.00 O ATOM 97 CB GLU A 10 1.357 2.337 -9.977 1.00 0.00 C ATOM 98 CG GLU A 10 2.307 2.742 -11.122 1.00 0.00 C ATOM 99 CD GLU A 10 1.957 4.060 -11.834 1.00 0.00 C ATOM 100 OE1 GLU A 10 0.852 4.162 -12.424 1.00 0.00 O ATOM 101 OE2 GLU A 10 2.805 4.985 -11.795 1.00 0.00 O ATOM 0 H GLU A 10 -0.399 3.669 -10.901 1.00 0.00 H new ATOM 0 HA GLU A 10 0.190 1.074 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.152 3.218 -9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.872 1.621 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.318 2.822 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.320 1.941 -11.862 1.00 0.00 H new ATOM 108 N LEU A 11 -1.092 -0.336 -9.824 1.00 0.00 N ATOM 109 CA LEU A 11 -1.427 -1.537 -9.069 1.00 0.00 C ATOM 110 C LEU A 11 -0.681 -2.713 -9.703 1.00 0.00 C ATOM 111 O LEU A 11 -0.110 -2.585 -10.788 1.00 0.00 O ATOM 112 CB LEU A 11 -2.948 -1.792 -9.083 1.00 0.00 C ATOM 113 CG LEU A 11 -3.800 -0.763 -8.318 1.00 0.00 C ATOM 114 CD1 LEU A 11 -5.285 -1.133 -8.414 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.411 -0.690 -6.841 1.00 0.00 C ATOM 0 H LEU A 11 -1.291 -0.447 -10.818 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.130 -1.415 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.285 -1.818 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.137 -2.779 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.619 0.209 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.879 -0.399 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.591 -1.143 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.443 -2.121 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.035 0.047 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.556 -1.666 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.364 -0.399 -6.754 1.00 0.00 H new ATOM 127 N MET A 12 -0.682 -3.863 -9.037 1.00 0.00 N ATOM 128 CA MET A 12 -0.045 -5.088 -9.494 1.00 0.00 C ATOM 129 C MET A 12 -1.006 -6.232 -9.249 1.00 0.00 C ATOM 130 O MET A 12 -1.598 -6.320 -8.179 1.00 0.00 O ATOM 131 CB MET A 12 1.267 -5.309 -8.726 1.00 0.00 C ATOM 132 CG MET A 12 2.483 -5.105 -9.625 1.00 0.00 C ATOM 133 SD MET A 12 3.912 -4.234 -8.926 1.00 0.00 S ATOM 134 CE MET A 12 4.353 -5.371 -7.593 1.00 0.00 C ATOM 0 H MET A 12 -1.143 -3.969 -8.133 1.00 0.00 H new ATOM 0 HA MET A 12 0.193 -5.026 -10.556 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.317 -4.620 -7.883 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.283 -6.318 -8.314 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.820 -6.086 -9.961 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.158 -4.559 -10.510 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.026 -4.958 -6.639 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.866 -6.332 -7.758 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.434 -5.510 -7.576 1.00 0.00 H new ATOM 144 N THR A 13 -1.119 -7.123 -10.218 1.00 0.00 N ATOM 145 CA THR A 13 -2.142 -8.154 -10.276 1.00 0.00 C ATOM 146 C THR A 13 -1.423 -9.483 -10.426 1.00 0.00 C ATOM 147 O THR A 13 -0.651 -9.677 -11.367 1.00 0.00 O ATOM 148 CB THR A 13 -3.082 -7.847 -11.447 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.667 -6.574 -11.266 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.195 -8.881 -11.606 1.00 0.00 C ATOM 0 H THR A 13 -0.480 -7.150 -11.013 1.00 0.00 H new ATOM 0 HA THR A 13 -2.758 -8.192 -9.377 1.00 0.00 H new ATOM 0 HB THR A 13 -2.474 -7.874 -12.351 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.266 -6.380 -12.017 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.827 -8.608 -12.451 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.757 -9.863 -11.783 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.797 -8.910 -10.698 1.00 0.00 H new ATOM 158 N LEU A 14 -1.623 -10.385 -9.471 1.00 0.00 N ATOM 159 CA LEU A 14 -0.866 -11.625 -9.324 1.00 0.00 C ATOM 160 C LEU A 14 -1.857 -12.747 -8.994 1.00 0.00 C ATOM 161 O LEU A 14 -3.019 -12.486 -8.668 1.00 0.00 O ATOM 162 CB LEU A 14 0.237 -11.444 -8.250 1.00 0.00 C ATOM 163 CG LEU A 14 1.214 -10.267 -8.520 1.00 0.00 C ATOM 164 CD1 LEU A 14 2.059 -9.911 -7.294 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.169 -10.552 -9.682 1.00 0.00 C ATOM 0 H LEU A 14 -2.340 -10.270 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.349 -11.892 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.239 -11.289 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.812 -12.367 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 14 0.568 -9.427 -8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.724 -9.083 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.404 -9.620 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.652 -10.776 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.830 -9.697 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.764 -11.436 -9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.594 -10.725 -10.592 1.00 0.00 H new ATOM 177 N THR A 15 -1.416 -14.002 -9.078 1.00 0.00 N ATOM 178 CA THR A 15 -2.289 -15.163 -8.941 1.00 0.00 C ATOM 179 C THR A 15 -1.719 -16.085 -7.870 1.00 0.00 C ATOM 180 O THR A 15 -0.507 -16.233 -7.756 1.00 0.00 O ATOM 181 CB THR A 15 -2.421 -15.888 -10.291 1.00 0.00 C ATOM 182 OG1 THR A 15 -2.609 -14.985 -11.361 1.00 0.00 O ATOM 183 CG2 THR A 15 -3.616 -16.838 -10.296 1.00 0.00 C ATOM 0 H THR A 15 -0.438 -14.241 -9.244 1.00 0.00 H new ATOM 0 HA THR A 15 -3.287 -14.847 -8.638 1.00 0.00 H new ATOM 0 HB THR A 15 -1.488 -16.437 -10.423 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.687 -15.484 -12.201 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.682 -17.335 -11.264 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.490 -17.585 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.531 -16.273 -10.115 1.00 0.00 H new ATOM 191 N ILE A 16 -2.587 -16.721 -7.092 1.00 0.00 N ATOM 192 CA ILE A 16 -2.226 -17.609 -6.002 1.00 0.00 C ATOM 193 C ILE A 16 -3.128 -18.838 -6.019 1.00 0.00 C ATOM 194 O ILE A 16 -4.217 -18.764 -6.574 1.00 0.00 O ATOM 195 CB ILE A 16 -2.341 -16.844 -4.670 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.660 -16.091 -4.440 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.179 -15.866 -4.456 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.672 -15.528 -3.020 1.00 0.00 C ATOM 0 H ILE A 16 -3.596 -16.627 -7.210 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.197 -17.949 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.307 -17.649 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.764 -15.284 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.507 -16.762 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.307 -15.352 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.238 -16.415 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.166 -15.135 -5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.605 -14.992 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.587 -16.345 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.832 -14.845 -2.892 1.00 0.00 H new ATOM 210 N VAL A 17 -2.750 -19.934 -5.355 1.00 0.00 N ATOM 211 CA VAL A 17 -3.608 -21.102 -5.154 1.00 0.00 C ATOM 212 C VAL A 17 -3.828 -21.261 -3.653 1.00 0.00 C ATOM 213 O VAL A 17 -2.971 -20.920 -2.833 1.00 0.00 O ATOM 214 CB VAL A 17 -3.000 -22.357 -5.820 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.807 -23.650 -5.581 1.00 0.00 C ATOM 216 CG2 VAL A 17 -2.899 -22.150 -7.336 1.00 0.00 C ATOM 0 H VAL A 17 -1.825 -20.035 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.576 -20.965 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.021 -22.482 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.314 -24.484 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.864 -23.851 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.813 -23.530 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.469 -23.039 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.893 -21.973 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.262 -21.290 -7.544 1.00 0.00 H new ATOM 226 N LYS A 18 -5.001 -21.756 -3.268 1.00 0.00 N ATOM 227 CA LYS A 18 -5.418 -21.797 -1.874 1.00 0.00 C ATOM 228 C LYS A 18 -5.137 -23.173 -1.271 1.00 0.00 C ATOM 229 O LYS A 18 -5.975 -24.071 -1.326 1.00 0.00 O ATOM 230 CB LYS A 18 -6.876 -21.362 -1.833 1.00 0.00 C ATOM 231 CG LYS A 18 -7.291 -21.091 -0.394 1.00 0.00 C ATOM 232 CD LYS A 18 -8.769 -20.752 -0.301 1.00 0.00 C ATOM 233 CE LYS A 18 -9.067 -20.496 1.169 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.503 -20.524 1.466 1.00 0.00 N ATOM 0 H LYS A 18 -5.688 -22.140 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.848 -21.111 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.015 -20.465 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.509 -22.138 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.077 -21.966 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.701 -20.268 0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.003 -19.873 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.379 -21.571 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.560 -21.247 1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.659 -19.526 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.840 -19.556 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.017 -20.929 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.672 -21.107 2.310 1.00 0.00 H new ATOM 248 N GLY A 19 -3.929 -23.368 -0.763 1.00 0.00 N ATOM 249 CA GLY A 19 -3.342 -24.678 -0.520 1.00 0.00 C ATOM 250 C GLY A 19 -3.480 -25.151 0.923 1.00 0.00 C ATOM 251 O GLY A 19 -2.468 -25.238 1.612 1.00 0.00 O ATOM 0 H GLY A 19 -3.313 -22.598 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.814 -25.406 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.285 -24.648 -0.784 1.00 0.00 H new ATOM 255 N ALA A 20 -4.699 -25.519 1.340 1.00 0.00 N ATOM 256 CA ALA A 20 -5.098 -26.089 2.639 1.00 0.00 C ATOM 257 C ALA A 20 -4.812 -25.194 3.859 1.00 0.00 C ATOM 258 O ALA A 20 -3.957 -24.315 3.841 1.00 0.00 O ATOM 259 CB ALA A 20 -4.495 -27.484 2.843 1.00 0.00 C ATOM 0 H ALA A 20 -5.505 -25.417 0.723 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.184 -26.163 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.808 -27.878 3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.841 -28.149 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.407 -27.418 2.813 1.00 0.00 H new ATOM 265 N GLN A 21 -5.590 -25.385 4.932 1.00 0.00 N ATOM 266 CA GLN A 21 -5.837 -24.439 6.032 1.00 0.00 C ATOM 267 C GLN A 21 -6.189 -23.004 5.607 1.00 0.00 C ATOM 268 O GLN A 21 -6.513 -22.175 6.462 1.00 0.00 O ATOM 269 CB GLN A 21 -4.728 -24.488 7.100 1.00 0.00 C ATOM 270 CG GLN A 21 -4.913 -25.679 8.051 1.00 0.00 C ATOM 271 CD GLN A 21 -4.190 -25.443 9.373 1.00 0.00 C ATOM 272 OE1 GLN A 21 -4.725 -24.792 10.271 1.00 0.00 O ATOM 273 NE2 GLN A 21 -2.990 -25.964 9.534 1.00 0.00 N ATOM 0 H GLN A 21 -6.097 -26.260 5.065 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.756 -24.800 6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.755 -24.558 6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.732 -23.560 7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.975 -25.838 8.237 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.532 -26.586 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.562 -26.501 8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.490 -25.831 10.413 1.00 0.00 H new ATOM 282 N GLY A 22 -6.245 -22.708 4.315 1.00 0.00 N ATOM 283 CA GLY A 22 -6.411 -21.399 3.738 1.00 0.00 C ATOM 284 C GLY A 22 -5.375 -21.337 2.639 1.00 0.00 C ATOM 285 O GLY A 22 -5.283 -22.270 1.839 1.00 0.00 O ATOM 0 H GLY A 22 -6.169 -23.433 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.418 -21.264 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.252 -20.615 4.479 1.00 0.00 H new ATOM 289 N PHE A 23 -4.587 -20.272 2.620 1.00 0.00 N ATOM 290 CA PHE A 23 -3.379 -20.211 1.821 1.00 0.00 C ATOM 291 C PHE A 23 -2.187 -20.549 2.728 1.00 0.00 C ATOM 292 O PHE A 23 -2.311 -20.574 3.958 1.00 0.00 O ATOM 293 CB PHE A 23 -3.259 -18.817 1.193 1.00 0.00 C ATOM 294 CG PHE A 23 -4.416 -18.402 0.294 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.641 -17.972 0.848 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.269 -18.432 -1.107 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.718 -17.629 0.012 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.346 -18.081 -1.938 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.568 -17.667 -1.379 1.00 0.00 C ATOM 0 H PHE A 23 -4.770 -19.426 3.160 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.403 -20.932 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.163 -18.084 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.338 -18.777 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.752 -17.906 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.326 -18.726 -1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.663 -17.336 0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.235 -18.129 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.388 -17.379 -2.021 1.00 0.00 H new ATOM 309 N GLY A 24 -1.016 -20.786 2.137 1.00 0.00 N ATOM 310 CA GLY A 24 0.200 -21.077 2.888 1.00 0.00 C ATOM 311 C GLY A 24 0.716 -19.847 3.637 1.00 0.00 C ATOM 312 O GLY A 24 1.115 -19.960 4.795 1.00 0.00 O ATOM 0 H GLY A 24 -0.886 -20.781 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.004 -21.879 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.971 -21.437 2.206 1.00 0.00 H new ATOM 316 N PHE A 25 0.748 -18.690 2.969 1.00 0.00 N ATOM 317 CA PHE A 25 1.188 -17.391 3.477 1.00 0.00 C ATOM 318 C PHE A 25 0.312 -16.853 4.600 1.00 0.00 C ATOM 319 O PHE A 25 -0.666 -17.472 5.019 1.00 0.00 O ATOM 320 CB PHE A 25 1.267 -16.369 2.331 1.00 0.00 C ATOM 321 CG PHE A 25 -0.034 -15.810 1.787 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.778 -16.575 0.882 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.445 -14.492 2.079 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.890 -16.027 0.227 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.588 -13.960 1.454 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.289 -14.716 0.502 1.00 0.00 C ATOM 0 H PHE A 25 0.447 -18.634 1.996 1.00 0.00 H new ATOM 0 HA PHE A 25 2.179 -17.547 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.874 -15.531 2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.802 -16.835 1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.493 -17.598 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.116 -13.893 2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.439 -16.619 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.927 -12.966 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.134 -14.286 -0.016 1.00 0.00 H new ATOM 336 N THR A 26 0.668 -15.664 5.078 1.00 0.00 N ATOM 337 CA THR A 26 -0.005 -14.971 6.156 1.00 0.00 C ATOM 338 C THR A 26 -0.245 -13.513 5.763 1.00 0.00 C ATOM 339 O THR A 26 0.600 -12.911 5.092 1.00 0.00 O ATOM 340 CB THR A 26 0.841 -15.087 7.436 1.00 0.00 C ATOM 341 OG1 THR A 26 2.196 -14.738 7.206 1.00 0.00 O ATOM 342 CG2 THR A 26 0.924 -16.506 7.991 1.00 0.00 C ATOM 0 H THR A 26 1.463 -15.143 4.707 1.00 0.00 H new ATOM 0 HA THR A 26 -0.978 -15.424 6.349 1.00 0.00 H new ATOM 0 HB THR A 26 0.334 -14.417 8.130 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.463 -15.035 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.536 -16.509 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.078 -16.862 8.232 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.373 -17.163 7.246 1.00 0.00 H new ATOM 350 N ILE A 27 -1.345 -12.921 6.229 1.00 0.00 N ATOM 351 CA ILE A 27 -1.581 -11.478 6.196 1.00 0.00 C ATOM 352 C ILE A 27 -1.536 -10.928 7.617 1.00 0.00 C ATOM 353 O ILE A 27 -1.584 -11.684 8.592 1.00 0.00 O ATOM 354 CB ILE A 27 -2.892 -11.107 5.458 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.157 -11.680 6.128 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.784 -11.569 4.002 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.466 -11.203 5.465 1.00 0.00 C ATOM 0 H ILE A 27 -2.114 -13.443 6.649 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.786 -11.009 5.616 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.006 -10.024 5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.116 -12.769 6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.165 -11.393 7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.701 -11.314 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.938 -11.074 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.636 -12.649 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.318 -11.642 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.528 -10.116 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.479 -11.513 4.420 1.00 0.00 H new ATOM 369 N ALA A 28 -1.480 -9.608 7.724 1.00 0.00 N ATOM 370 CA ALA A 28 -1.663 -8.837 8.931 1.00 0.00 C ATOM 371 C ALA A 28 -2.513 -7.620 8.566 1.00 0.00 C ATOM 372 O ALA A 28 -2.668 -7.260 7.396 1.00 0.00 O ATOM 373 CB ALA A 28 -0.297 -8.431 9.492 1.00 0.00 C ATOM 0 H ALA A 28 -1.293 -9.016 6.915 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.169 -9.413 9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.436 -7.849 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.284 -9.325 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.235 -7.829 8.755 1.00 0.00 H new ATOM 379 N ASP A 29 -3.093 -7.001 9.578 1.00 0.00 N ATOM 380 CA ASP A 29 -3.656 -5.661 9.516 1.00 0.00 C ATOM 381 C ASP A 29 -2.493 -4.654 9.498 1.00 0.00 C ATOM 382 O ASP A 29 -1.396 -4.969 9.977 1.00 0.00 O ATOM 383 CB ASP A 29 -4.596 -5.505 10.714 1.00 0.00 C ATOM 384 CG ASP A 29 -5.018 -4.065 10.925 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.612 -3.521 9.969 1.00 0.00 O ATOM 386 OD2 ASP A 29 -4.766 -3.549 12.040 1.00 0.00 O ATOM 0 H ASP A 29 -3.189 -7.431 10.498 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.242 -5.479 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.481 -6.123 10.562 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.101 -5.872 11.613 1.00 0.00 H new ATOM 391 N SER A 30 -2.661 -3.505 8.840 1.00 0.00 N ATOM 392 CA SER A 30 -1.619 -2.494 8.675 1.00 0.00 C ATOM 393 C SER A 30 -2.297 -1.119 8.504 1.00 0.00 C ATOM 394 O SER A 30 -3.477 -1.060 8.148 1.00 0.00 O ATOM 395 CB SER A 30 -0.691 -2.909 7.503 1.00 0.00 C ATOM 396 OG SER A 30 -0.872 -2.131 6.339 1.00 0.00 O ATOM 0 H SER A 30 -3.544 -3.248 8.399 1.00 0.00 H new ATOM 0 HA SER A 30 -0.975 -2.415 9.551 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.347 -2.829 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.870 -3.957 7.262 1.00 0.00 H new ATOM 0 HG SER A 30 -1.545 -2.553 5.765 1.00 0.00 H new ATOM 402 N PRO A 31 -1.550 -0.013 8.671 1.00 0.00 N ATOM 403 CA PRO A 31 -2.049 1.367 8.748 1.00 0.00 C ATOM 404 C PRO A 31 -2.750 1.922 7.507 1.00 0.00 C ATOM 405 O PRO A 31 -3.140 3.092 7.523 1.00 0.00 O ATOM 406 CB PRO A 31 -0.824 2.235 9.064 1.00 0.00 C ATOM 407 CG PRO A 31 0.365 1.352 8.707 1.00 0.00 C ATOM 408 CD PRO A 31 -0.136 -0.044 8.979 1.00 0.00 C ATOM 0 HA PRO A 31 -2.832 1.379 9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.826 3.155 8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.803 2.526 10.114 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.658 1.477 7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.238 1.590 9.315 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.385 -0.775 8.361 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.033 -0.327 10.018 1.00 0.00 H new ATOM 416 N THR A 32 -2.849 1.156 6.430 1.00 0.00 N ATOM 417 CA THR A 32 -3.436 1.584 5.170 1.00 0.00 C ATOM 418 C THR A 32 -4.423 0.553 4.623 1.00 0.00 C ATOM 419 O THR A 32 -5.190 0.873 3.711 1.00 0.00 O ATOM 420 CB THR A 32 -2.301 1.876 4.175 1.00 0.00 C ATOM 421 OG1 THR A 32 -1.282 0.896 4.225 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.642 3.208 4.508 1.00 0.00 C ATOM 0 H THR A 32 -2.514 0.193 6.409 1.00 0.00 H new ATOM 0 HA THR A 32 -4.015 2.493 5.332 1.00 0.00 H new ATOM 0 HB THR A 32 -2.757 1.885 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.761 0.923 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.840 3.405 3.797 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.383 4.005 4.449 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.231 3.169 5.517 1.00 0.00 H new ATOM 430 N GLY A 33 -4.426 -0.663 5.166 1.00 0.00 N ATOM 431 CA GLY A 33 -5.057 -1.817 4.565 1.00 0.00 C ATOM 432 C GLY A 33 -4.259 -3.066 4.915 1.00 0.00 C ATOM 433 O GLY A 33 -3.181 -2.989 5.511 1.00 0.00 O ATOM 0 H GLY A 33 -3.976 -0.869 6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.082 -1.914 4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.108 -1.696 3.483 1.00 0.00 H new ATOM 437 N GLN A 34 -4.786 -4.234 4.574 1.00 0.00 N ATOM 438 CA GLN A 34 -4.212 -5.524 4.890 1.00 0.00 C ATOM 439 C GLN A 34 -2.920 -5.701 4.106 1.00 0.00 C ATOM 440 O GLN A 34 -2.908 -5.597 2.876 1.00 0.00 O ATOM 441 CB GLN A 34 -5.249 -6.587 4.541 1.00 0.00 C ATOM 442 CG GLN A 34 -6.409 -6.620 5.546 1.00 0.00 C ATOM 443 CD GLN A 34 -7.124 -5.295 5.836 1.00 0.00 C ATOM 444 OE1 GLN A 34 -7.842 -4.790 4.986 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.954 -4.711 7.014 1.00 0.00 N ATOM 0 H GLN A 34 -5.658 -4.306 4.050 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.962 -5.610 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.641 -6.395 3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.768 -7.565 4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.151 -7.331 5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.028 -7.011 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.352 -5.143 7.715 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.425 -3.830 7.219 1.00 0.00 H new ATOM 454 N ARG A 35 -1.834 -5.982 4.826 1.00 0.00 N ATOM 455 CA ARG A 35 -0.566 -6.352 4.220 1.00 0.00 C ATOM 456 C ARG A 35 -0.368 -7.837 4.331 1.00 0.00 C ATOM 457 O ARG A 35 -0.922 -8.508 5.198 1.00 0.00 O ATOM 458 CB ARG A 35 0.613 -5.645 4.892 1.00 0.00 C ATOM 459 CG ARG A 35 0.816 -4.249 4.322 1.00 0.00 C ATOM 460 CD ARG A 35 2.014 -3.609 5.027 1.00 0.00 C ATOM 461 NE ARG A 35 1.843 -2.157 5.114 1.00 0.00 N ATOM 462 CZ ARG A 35 2.012 -1.298 4.107 1.00 0.00 C ATOM 463 NH1 ARG A 35 2.681 -1.638 3.006 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.468 -0.096 4.198 1.00 0.00 N ATOM 0 H ARG A 35 -1.814 -5.958 5.846 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.599 -6.046 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.437 -5.580 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.520 -6.233 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.991 -4.300 3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.079 -3.645 4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.122 -4.029 6.027 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.930 -3.841 4.483 1.00 0.00 H new ATOM 0 HE ARG A 35 1.573 -1.771 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.078 -2.574 2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.796 -0.963 2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.931 0.159 5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.585 0.576 3.439 1.00 0.00 H new ATOM 478 N VAL A 36 0.559 -8.317 3.530 1.00 0.00 N ATOM 479 CA VAL A 36 1.144 -9.626 3.707 1.00 0.00 C ATOM 480 C VAL A 36 2.040 -9.524 4.932 1.00 0.00 C ATOM 481 O VAL A 36 2.855 -8.603 5.036 1.00 0.00 O ATOM 482 CB VAL A 36 1.876 -10.004 2.419 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.632 -11.336 2.526 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.831 -10.102 1.306 1.00 0.00 C ATOM 0 H VAL A 36 0.930 -7.804 2.731 1.00 0.00 H new ATOM 0 HA VAL A 36 0.419 -10.421 3.882 1.00 0.00 H new ATOM 0 HB VAL A 36 2.624 -9.239 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.130 -11.548 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.375 -11.270 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.928 -12.137 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.321 -10.371 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.096 -10.865 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.331 -9.140 1.191 1.00 0.00 H new ATOM 494 N LYS A 37 1.851 -10.440 5.879 1.00 0.00 N ATOM 495 CA LYS A 37 2.760 -10.657 6.991 1.00 0.00 C ATOM 496 C LYS A 37 4.003 -11.311 6.404 1.00 0.00 C ATOM 497 O LYS A 37 5.043 -10.661 6.340 1.00 0.00 O ATOM 498 CB LYS A 37 2.036 -11.477 8.076 1.00 0.00 C ATOM 499 CG LYS A 37 2.906 -12.203 9.114 1.00 0.00 C ATOM 500 CD LYS A 37 3.896 -11.312 9.867 1.00 0.00 C ATOM 501 CE LYS A 37 4.261 -11.910 11.230 1.00 0.00 C ATOM 502 NZ LYS A 37 4.990 -13.188 11.145 1.00 0.00 N ATOM 0 H LYS A 37 1.043 -11.063 5.891 1.00 0.00 H new ATOM 0 HA LYS A 37 3.074 -9.743 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.363 -10.807 8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.415 -12.221 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.252 -12.687 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.463 -12.993 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.799 -11.184 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.463 -10.321 10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.869 -11.192 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.348 -12.061 11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.202 -13.531 12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.404 -13.889 10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.878 -13.047 10.623 1.00 0.00 H new ATOM 516 N GLN A 38 3.885 -12.562 5.955 1.00 0.00 N ATOM 517 CA GLN A 38 4.995 -13.354 5.460 1.00 0.00 C ATOM 518 C GLN A 38 4.453 -14.395 4.484 1.00 0.00 C ATOM 519 O GLN A 38 3.397 -14.985 4.737 1.00 0.00 O ATOM 520 CB GLN A 38 5.701 -14.015 6.659 1.00 0.00 C ATOM 521 CG GLN A 38 6.927 -14.812 6.180 1.00 0.00 C ATOM 522 CD GLN A 38 7.814 -15.362 7.291 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.440 -15.406 8.463 1.00 0.00 O ATOM 524 NE2 GLN A 38 9.000 -15.818 6.940 1.00 0.00 N ATOM 0 H GLN A 38 2.993 -13.056 5.928 1.00 0.00 H new ATOM 0 HA GLN A 38 5.721 -12.734 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.010 -13.252 7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.008 -14.677 7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.583 -15.644 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.531 -14.170 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.295 -15.774 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.623 -16.215 7.644 1.00 0.00 H new ATOM 533 N ILE A 39 5.184 -14.656 3.400 1.00 0.00 N ATOM 534 CA ILE A 39 4.909 -15.755 2.483 1.00 0.00 C ATOM 535 C ILE A 39 5.671 -16.973 2.983 1.00 0.00 C ATOM 536 O ILE A 39 6.831 -16.858 3.375 1.00 0.00 O ATOM 537 CB ILE A 39 5.259 -15.364 1.035 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.396 -14.141 0.648 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.053 -16.565 0.089 1.00 0.00 C ATOM 540 CD1 ILE A 39 4.529 -13.739 -0.813 1.00 0.00 C ATOM 0 H ILE A 39 5.996 -14.099 3.133 1.00 0.00 H new ATOM 0 HA ILE A 39 3.846 -15.995 2.463 1.00 0.00 H new ATOM 0 HB ILE A 39 6.310 -15.088 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.350 -14.363 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.677 -13.295 1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.305 -16.272 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.697 -17.388 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.012 -16.885 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.896 -12.874 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.567 -13.485 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.220 -14.569 -1.448 1.00 0.00 H new ATOM 552 N LEU A 40 5.006 -18.127 2.995 1.00 0.00 N ATOM 553 CA LEU A 40 5.523 -19.347 3.607 1.00 0.00 C ATOM 554 C LEU A 40 5.621 -20.468 2.579 1.00 0.00 C ATOM 555 O LEU A 40 6.549 -21.270 2.651 1.00 0.00 O ATOM 556 CB LEU A 40 4.648 -19.740 4.812 1.00 0.00 C ATOM 557 CG LEU A 40 4.507 -18.633 5.881 1.00 0.00 C ATOM 558 CD1 LEU A 40 3.575 -19.073 7.009 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.847 -18.245 6.504 1.00 0.00 C ATOM 0 H LEU A 40 4.083 -18.241 2.575 1.00 0.00 H new ATOM 0 HA LEU A 40 6.533 -19.165 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.655 -20.011 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.071 -20.629 5.279 1.00 0.00 H new ATOM 0 HG LEU A 40 4.095 -17.770 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.494 -18.275 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.588 -19.291 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.977 -19.968 7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.690 -17.464 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.292 -19.117 6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.516 -17.876 5.727 1.00 0.00 H new ATOM 571 N ASP A 41 4.733 -20.475 1.580 1.00 0.00 N ATOM 572 CA ASP A 41 4.742 -21.423 0.473 1.00 0.00 C ATOM 573 C ASP A 41 4.623 -20.631 -0.823 1.00 0.00 C ATOM 574 O ASP A 41 3.527 -20.215 -1.208 1.00 0.00 O ATOM 575 CB ASP A 41 3.595 -22.424 0.621 1.00 0.00 C ATOM 576 CG ASP A 41 3.558 -23.438 -0.523 1.00 0.00 C ATOM 577 OD1 ASP A 41 4.408 -23.401 -1.447 1.00 0.00 O ATOM 578 OD2 ASP A 41 2.676 -24.316 -0.470 1.00 0.00 O ATOM 0 H ASP A 41 3.969 -19.801 1.522 1.00 0.00 H new ATOM 0 HA ASP A 41 5.669 -21.996 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.697 -22.953 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.648 -21.885 0.657 1.00 0.00 H new ATOM 583 N ILE A 42 5.760 -20.348 -1.449 1.00 0.00 N ATOM 584 CA ILE A 42 5.846 -19.457 -2.600 1.00 0.00 C ATOM 585 C ILE A 42 5.214 -20.107 -3.828 1.00 0.00 C ATOM 586 O ILE A 42 4.535 -19.438 -4.602 1.00 0.00 O ATOM 587 CB ILE A 42 7.325 -19.094 -2.830 1.00 0.00 C ATOM 588 CG1 ILE A 42 7.808 -18.192 -1.682 1.00 0.00 C ATOM 589 CG2 ILE A 42 7.530 -18.446 -4.201 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.328 -18.071 -1.591 1.00 0.00 C ATOM 0 H ILE A 42 6.660 -20.736 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 42 5.288 -18.540 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 42 7.926 -20.003 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.381 -17.197 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.427 -18.584 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.584 -18.201 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.217 -19.140 -4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.935 -17.535 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.592 -17.419 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.763 -19.058 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.716 -17.649 -2.518 1.00 0.00 H new ATOM 602 N GLN A 43 5.428 -21.401 -4.050 1.00 0.00 N ATOM 603 CA GLN A 43 4.771 -22.097 -5.144 1.00 0.00 C ATOM 604 C GLN A 43 3.282 -22.307 -4.866 1.00 0.00 C ATOM 605 O GLN A 43 2.498 -22.447 -5.803 1.00 0.00 O ATOM 606 CB GLN A 43 5.512 -23.399 -5.421 1.00 0.00 C ATOM 607 CG GLN A 43 6.804 -23.144 -6.210 1.00 0.00 C ATOM 608 CD GLN A 43 7.182 -24.358 -7.053 1.00 0.00 C ATOM 609 OE1 GLN A 43 7.378 -25.463 -6.553 1.00 0.00 O ATOM 610 NE2 GLN A 43 7.236 -24.200 -8.362 1.00 0.00 N ATOM 0 H GLN A 43 6.049 -21.983 -3.488 1.00 0.00 H new ATOM 0 HA GLN A 43 4.813 -21.483 -6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.749 -23.893 -4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.867 -24.075 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.674 -22.275 -6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.615 -22.910 -5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.072 -23.280 -8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.441 -24.997 -8.964 1.00 0.00 H new ATOM 619 N GLY A 44 2.846 -22.224 -3.609 1.00 0.00 N ATOM 620 CA GLY A 44 1.435 -22.127 -3.289 1.00 0.00 C ATOM 621 C GLY A 44 0.848 -20.787 -3.736 1.00 0.00 C ATOM 622 O GLY A 44 -0.363 -20.689 -3.904 1.00 0.00 O ATOM 0 H GLY A 44 3.461 -22.223 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.895 -22.941 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.296 -22.246 -2.214 1.00 0.00 H new ATOM 626 N CYS A 45 1.655 -19.736 -3.899 1.00 0.00 N ATOM 627 CA CYS A 45 1.212 -18.370 -4.154 1.00 0.00 C ATOM 628 C CYS A 45 2.234 -17.641 -5.042 1.00 0.00 C ATOM 629 O CYS A 45 2.993 -16.818 -4.520 1.00 0.00 O ATOM 630 CB CYS A 45 1.076 -17.651 -2.818 1.00 0.00 C ATOM 631 SG CYS A 45 -0.342 -18.314 -1.898 1.00 0.00 S ATOM 0 H CYS A 45 2.671 -19.820 -3.855 1.00 0.00 H new ATOM 0 HA CYS A 45 0.253 -18.380 -4.672 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.988 -17.774 -2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.945 -16.581 -2.983 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.748 -17.433 -1.032 1.00 0.00 H new ATOM 637 N PRO A 46 2.301 -17.935 -6.350 1.00 0.00 N ATOM 638 CA PRO A 46 3.243 -17.264 -7.234 1.00 0.00 C ATOM 639 C PRO A 46 3.053 -15.749 -7.250 1.00 0.00 C ATOM 640 O PRO A 46 1.999 -15.225 -6.892 1.00 0.00 O ATOM 641 CB PRO A 46 3.045 -17.880 -8.620 1.00 0.00 C ATOM 642 CG PRO A 46 1.739 -18.665 -8.536 1.00 0.00 C ATOM 643 CD PRO A 46 1.571 -18.976 -7.054 1.00 0.00 C ATOM 0 HA PRO A 46 4.265 -17.410 -6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.990 -17.108 -9.388 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.878 -18.532 -8.882 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.901 -18.081 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.787 -19.578 -9.130 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.518 -18.977 -6.771 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.966 -19.963 -6.813 1.00 0.00 H new ATOM 651 N GLY A 47 4.102 -15.035 -7.661 1.00 0.00 N ATOM 652 CA GLY A 47 4.074 -13.593 -7.824 1.00 0.00 C ATOM 653 C GLY A 47 4.102 -12.834 -6.495 1.00 0.00 C ATOM 654 O GLY A 47 4.857 -11.866 -6.379 1.00 0.00 O ATOM 0 H GLY A 47 5.003 -15.454 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.928 -13.286 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.176 -13.314 -8.375 1.00 0.00 H new ATOM 658 N LEU A 48 3.286 -13.234 -5.518 1.00 0.00 N ATOM 659 CA LEU A 48 2.958 -12.515 -4.291 1.00 0.00 C ATOM 660 C LEU A 48 4.244 -12.105 -3.564 1.00 0.00 C ATOM 661 O LEU A 48 5.236 -12.843 -3.618 1.00 0.00 O ATOM 662 CB LEU A 48 2.029 -13.444 -3.471 1.00 0.00 C ATOM 663 CG LEU A 48 1.086 -12.714 -2.499 1.00 0.00 C ATOM 664 CD1 LEU A 48 -0.163 -13.542 -2.220 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.570 -12.398 -1.115 1.00 0.00 C ATOM 0 H LEU A 48 2.805 -14.132 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 48 2.432 -11.579 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.429 -14.037 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.645 -14.142 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 48 0.952 -11.781 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.811 -13.002 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.696 -13.722 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.124 -14.495 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.783 -11.884 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.829 -13.323 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.450 -11.757 -1.175 1.00 0.00 H new ATOM 677 N CYS A 49 4.260 -10.954 -2.886 1.00 0.00 N ATOM 678 CA CYS A 49 5.426 -10.456 -2.163 1.00 0.00 C ATOM 679 C CYS A 49 5.064 -10.011 -0.740 1.00 0.00 C ATOM 680 O CYS A 49 3.905 -9.760 -0.409 1.00 0.00 O ATOM 681 CB CYS A 49 6.045 -9.306 -2.970 1.00 0.00 C ATOM 682 SG CYS A 49 7.849 -9.341 -2.821 1.00 0.00 S ATOM 0 H CYS A 49 3.451 -10.336 -2.825 1.00 0.00 H new ATOM 0 HA CYS A 49 6.154 -11.260 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.757 -9.391 -4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.661 -8.351 -2.610 1.00 0.00 H new ATOM 0 HG CYS A 49 8.360 -8.364 -3.510 1.00 0.00 H new ATOM 688 N GLU A 50 6.069 -9.890 0.129 1.00 0.00 N ATOM 689 CA GLU A 50 5.858 -9.363 1.469 1.00 0.00 C ATOM 690 C GLU A 50 5.530 -7.872 1.384 1.00 0.00 C ATOM 691 O GLU A 50 6.021 -7.156 0.503 1.00 0.00 O ATOM 692 CB GLU A 50 7.087 -9.588 2.354 1.00 0.00 C ATOM 693 CG GLU A 50 7.224 -11.042 2.819 1.00 0.00 C ATOM 694 CD GLU A 50 8.213 -11.127 3.981 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.366 -10.665 3.841 1.00 0.00 O ATOM 696 OE2 GLU A 50 7.837 -11.589 5.081 1.00 0.00 O ATOM 0 H GLU A 50 7.034 -10.151 -0.075 1.00 0.00 H new ATOM 0 HA GLU A 50 5.022 -9.895 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.983 -9.301 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.026 -8.936 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.252 -11.427 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.566 -11.666 1.993 1.00 0.00 H new ATOM 703 N GLY A 51 4.713 -7.392 2.324 1.00 0.00 N ATOM 704 CA GLY A 51 4.256 -6.013 2.368 1.00 0.00 C ATOM 705 C GLY A 51 3.377 -5.605 1.181 1.00 0.00 C ATOM 706 O GLY A 51 3.032 -4.425 1.095 1.00 0.00 O ATOM 0 H GLY A 51 4.348 -7.964 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.697 -5.856 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.124 -5.355 2.406 1.00 0.00 H new ATOM 710 N ASP A 52 2.980 -6.536 0.300 1.00 0.00 N ATOM 711 CA ASP A 52 1.926 -6.322 -0.697 1.00 0.00 C ATOM 712 C ASP A 52 0.713 -5.781 0.061 1.00 0.00 C ATOM 713 O ASP A 52 0.312 -6.371 1.067 1.00 0.00 O ATOM 714 CB ASP A 52 1.517 -7.632 -1.398 1.00 0.00 C ATOM 715 CG ASP A 52 2.363 -8.121 -2.574 1.00 0.00 C ATOM 716 OD1 ASP A 52 3.333 -7.434 -2.961 1.00 0.00 O ATOM 717 OD2 ASP A 52 2.015 -9.198 -3.119 1.00 0.00 O ATOM 0 H ASP A 52 3.389 -7.470 0.262 1.00 0.00 H new ATOM 0 HA ASP A 52 2.288 -5.638 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.505 -8.421 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.493 -7.514 -1.752 1.00 0.00 H new ATOM 722 N LEU A 53 0.174 -4.640 -0.377 1.00 0.00 N ATOM 723 CA LEU A 53 -0.989 -3.983 0.218 1.00 0.00 C ATOM 724 C LEU A 53 -2.189 -4.431 -0.596 1.00 0.00 C ATOM 725 O LEU A 53 -2.222 -4.102 -1.775 1.00 0.00 O ATOM 726 CB LEU A 53 -0.816 -2.453 0.119 1.00 0.00 C ATOM 727 CG LEU A 53 -1.653 -1.590 1.074 1.00 0.00 C ATOM 728 CD1 LEU A 53 -3.132 -1.489 0.731 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.514 -2.008 2.542 1.00 0.00 C ATOM 0 H LEU A 53 0.548 -4.134 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.111 -4.241 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.236 -2.220 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.050 -2.152 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.220 -0.600 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.634 -0.858 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.246 -1.052 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.577 -2.484 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.130 -1.359 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.842 -3.041 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.471 -1.921 2.848 1.00 0.00 H new ATOM 741 N ILE A 54 -3.099 -5.236 -0.061 1.00 0.00 N ATOM 742 CA ILE A 54 -4.146 -5.856 -0.874 1.00 0.00 C ATOM 743 C ILE A 54 -5.152 -4.780 -1.311 1.00 0.00 C ATOM 744 O ILE A 54 -5.468 -3.866 -0.551 1.00 0.00 O ATOM 745 CB ILE A 54 -4.755 -7.062 -0.120 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.643 -8.083 0.237 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.815 -7.776 -0.981 1.00 0.00 C ATOM 748 CD1 ILE A 54 -4.077 -9.147 1.248 1.00 0.00 C ATOM 0 H ILE A 54 -3.136 -5.476 0.930 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.742 -6.275 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.225 -6.682 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.311 -8.578 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.784 -7.544 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.226 -8.619 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.615 -7.078 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.354 -8.137 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.245 -9.822 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.380 -8.664 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.916 -9.713 0.843 1.00 0.00 H new ATOM 760 N VAL A 55 -5.644 -4.874 -2.547 1.00 0.00 N ATOM 761 CA VAL A 55 -6.546 -3.908 -3.166 1.00 0.00 C ATOM 762 C VAL A 55 -7.770 -4.613 -3.722 1.00 0.00 C ATOM 763 O VAL A 55 -8.890 -4.150 -3.484 1.00 0.00 O ATOM 764 CB VAL A 55 -5.812 -3.073 -4.236 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.751 -2.056 -4.894 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.639 -2.322 -3.600 1.00 0.00 C ATOM 0 H VAL A 55 -5.416 -5.653 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.890 -3.207 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.450 -3.762 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.202 -1.485 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.578 -2.581 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.142 -1.378 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.126 -1.735 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.012 -1.658 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.942 -3.038 -3.164 1.00 0.00 H new ATOM 776 N GLU A 56 -7.587 -5.749 -4.391 1.00 0.00 N ATOM 777 CA GLU A 56 -8.694 -6.596 -4.798 1.00 0.00 C ATOM 778 C GLU A 56 -8.356 -8.047 -4.508 1.00 0.00 C ATOM 779 O GLU A 56 -7.186 -8.434 -4.457 1.00 0.00 O ATOM 780 CB GLU A 56 -9.047 -6.428 -6.282 1.00 0.00 C ATOM 781 CG GLU A 56 -9.637 -5.065 -6.628 1.00 0.00 C ATOM 782 CD GLU A 56 -9.910 -4.950 -8.126 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.467 -5.903 -8.722 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.529 -3.927 -8.735 1.00 0.00 O ATOM 0 H GLU A 56 -6.670 -6.103 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.569 -6.291 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.149 -6.586 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.759 -7.203 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.563 -4.915 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.949 -4.278 -6.319 1.00 0.00 H new ATOM 791 N ILE A 57 -9.408 -8.844 -4.373 1.00 0.00 N ATOM 792 CA ILE A 57 -9.394 -10.296 -4.410 1.00 0.00 C ATOM 793 C ILE A 57 -10.519 -10.642 -5.377 1.00 0.00 C ATOM 794 O ILE A 57 -11.642 -10.199 -5.156 1.00 0.00 O ATOM 795 CB ILE A 57 -9.639 -10.897 -3.012 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.464 -10.584 -2.062 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.834 -12.425 -3.108 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.906 -10.612 -0.604 1.00 0.00 C ATOM 0 H ILE A 57 -10.346 -8.471 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.433 -10.701 -4.725 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.545 -10.444 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.666 -11.310 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.053 -9.603 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.006 -12.833 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.693 -12.643 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.941 -12.879 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.055 -10.388 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.686 -9.867 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.294 -11.601 -0.360 1.00 0.00 H new ATOM 810 N ASN A 58 -10.227 -11.428 -6.413 1.00 0.00 N ATOM 811 CA ASN A 58 -11.214 -12.045 -7.317 1.00 0.00 C ATOM 812 C ASN A 58 -12.331 -11.090 -7.810 1.00 0.00 C ATOM 813 O ASN A 58 -13.483 -11.508 -7.959 1.00 0.00 O ATOM 814 CB ASN A 58 -11.789 -13.325 -6.663 1.00 0.00 C ATOM 815 CG ASN A 58 -10.774 -14.450 -6.511 1.00 0.00 C ATOM 816 OD1 ASN A 58 -9.912 -14.629 -7.364 1.00 0.00 O ATOM 817 ND2 ASN A 58 -10.839 -15.234 -5.450 1.00 0.00 N ATOM 0 H ASN A 58 -9.266 -11.665 -6.660 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.678 -12.309 -8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.186 -13.072 -5.680 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.626 -13.683 -7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.169 -15.995 -5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.559 -15.079 -4.745 1.00 0.00 H new ATOM 824 N GLN A 59 -12.013 -9.819 -8.091 1.00 0.00 N ATOM 825 CA GLN A 59 -12.958 -8.726 -8.349 1.00 0.00 C ATOM 826 C GLN A 59 -13.981 -8.551 -7.219 1.00 0.00 C ATOM 827 O GLN A 59 -15.200 -8.637 -7.391 1.00 0.00 O ATOM 828 CB GLN A 59 -13.580 -8.790 -9.758 1.00 0.00 C ATOM 829 CG GLN A 59 -12.514 -8.646 -10.851 1.00 0.00 C ATOM 830 CD GLN A 59 -13.108 -8.311 -12.217 1.00 0.00 C ATOM 831 OE1 GLN A 59 -13.095 -7.155 -12.646 1.00 0.00 O ATOM 832 NE2 GLN A 59 -13.605 -9.292 -12.949 1.00 0.00 N ATOM 0 H GLN A 59 -11.042 -9.511 -8.147 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.374 -7.806 -8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.104 -9.737 -9.883 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.322 -7.999 -9.866 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.810 -7.865 -10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.948 -9.574 -10.924 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.612 -10.245 -12.587 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.982 -9.096 -13.876 1.00 0.00 H new ATOM 841 N GLN A 60 -13.471 -8.265 -6.029 1.00 0.00 N ATOM 842 CA GLN A 60 -14.093 -7.521 -4.966 1.00 0.00 C ATOM 843 C GLN A 60 -12.996 -6.570 -4.492 1.00 0.00 C ATOM 844 O GLN A 60 -11.842 -6.983 -4.331 1.00 0.00 O ATOM 845 CB GLN A 60 -14.575 -8.492 -3.882 1.00 0.00 C ATOM 846 CG GLN A 60 -15.008 -7.753 -2.616 1.00 0.00 C ATOM 847 CD GLN A 60 -15.873 -8.590 -1.670 1.00 0.00 C ATOM 848 OE1 GLN A 60 -16.647 -8.038 -0.894 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.756 -9.908 -1.685 1.00 0.00 N ATOM 0 H GLN A 60 -12.535 -8.577 -5.771 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.980 -6.961 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.410 -9.080 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.776 -9.193 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.119 -7.421 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.561 -6.858 -2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.109 -10.355 -2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.313 -10.477 -1.047 1.00 0.00 H new ATOM 858 N ASN A 61 -13.341 -5.298 -4.306 1.00 0.00 N ATOM 859 CA ASN A 61 -12.410 -4.241 -3.941 1.00 0.00 C ATOM 860 C ASN A 61 -12.383 -4.121 -2.429 1.00 0.00 C ATOM 861 O ASN A 61 -13.426 -3.955 -1.803 1.00 0.00 O ATOM 862 CB ASN A 61 -12.834 -2.937 -4.623 1.00 0.00 C ATOM 863 CG ASN A 61 -11.891 -1.757 -4.422 1.00 0.00 C ATOM 864 OD1 ASN A 61 -12.297 -0.629 -4.664 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.621 -1.937 -4.089 1.00 0.00 N ATOM 0 H ASN A 61 -14.301 -4.969 -4.408 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.399 -4.471 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.934 -3.122 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.821 -2.658 -4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.989 -1.138 -4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.275 -2.875 -3.886 1.00 0.00 H new ATOM 872 N VAL A 62 -11.199 -4.271 -1.839 1.00 0.00 N ATOM 873 CA VAL A 62 -11.054 -4.546 -0.420 1.00 0.00 C ATOM 874 C VAL A 62 -10.267 -3.465 0.329 1.00 0.00 C ATOM 875 O VAL A 62 -10.161 -3.560 1.549 1.00 0.00 O ATOM 876 CB VAL A 62 -10.517 -5.979 -0.211 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.491 -7.041 -0.748 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.155 -6.226 -0.865 1.00 0.00 C ATOM 0 H VAL A 62 -10.312 -4.204 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.042 -4.503 0.038 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.409 -6.069 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.075 -8.034 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.445 -6.955 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.645 -6.887 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.842 -7.253 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.232 -6.062 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.420 -5.539 -0.445 1.00 0.00 H new ATOM 888 N GLN A 63 -9.761 -2.406 -0.322 1.00 0.00 N ATOM 889 CA GLN A 63 -9.050 -1.319 0.365 1.00 0.00 C ATOM 890 C GLN A 63 -9.873 -0.660 1.480 1.00 0.00 C ATOM 891 O GLN A 63 -9.291 -0.092 2.405 1.00 0.00 O ATOM 892 CB GLN A 63 -8.632 -0.247 -0.657 1.00 0.00 C ATOM 893 CG GLN A 63 -7.237 -0.515 -1.232 1.00 0.00 C ATOM 894 CD GLN A 63 -6.088 0.147 -0.465 1.00 0.00 C ATOM 895 OE1 GLN A 63 -5.103 0.581 -1.062 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.146 0.203 0.858 1.00 0.00 N ATOM 0 H GLN A 63 -9.833 -2.280 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.177 -1.769 0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.359 -0.217 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.646 0.733 -0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.069 -1.592 -1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.213 -0.169 -2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.964 -0.158 1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.372 0.607 1.386 1.00 0.00 H new ATOM 905 N ASN A 64 -11.200 -0.744 1.398 1.00 0.00 N ATOM 906 CA ASN A 64 -12.152 -0.123 2.315 1.00 0.00 C ATOM 907 C ASN A 64 -12.529 -1.055 3.476 1.00 0.00 C ATOM 908 O ASN A 64 -13.382 -0.699 4.297 1.00 0.00 O ATOM 909 CB ASN A 64 -13.395 0.275 1.497 1.00 0.00 C ATOM 910 CG ASN A 64 -13.248 1.637 0.836 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.151 2.112 0.562 1.00 0.00 O ATOM 912 ND2 ASN A 64 -14.351 2.313 0.574 1.00 0.00 N ATOM 0 H ASN A 64 -11.661 -1.271 0.656 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.697 0.756 2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.578 -0.479 0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.268 0.284 2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.294 3.235 0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.261 1.913 0.804 1.00 0.00 H new ATOM 919 N LEU A 65 -11.952 -2.259 3.524 1.00 0.00 N ATOM 920 CA LEU A 65 -12.304 -3.323 4.451 1.00 0.00 C ATOM 921 C LEU A 65 -11.332 -3.378 5.624 1.00 0.00 C ATOM 922 O LEU A 65 -10.334 -2.659 5.672 1.00 0.00 O ATOM 923 CB LEU A 65 -12.393 -4.667 3.714 1.00 0.00 C ATOM 924 CG LEU A 65 -13.463 -4.721 2.610 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.568 -6.161 2.113 1.00 0.00 C ATOM 926 CD2 LEU A 65 -14.853 -4.292 3.079 1.00 0.00 C ATOM 0 H LEU A 65 -11.198 -2.523 2.890 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.288 -3.108 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.422 -4.889 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.600 -5.452 4.441 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.149 -4.024 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.322 -6.221 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.605 -6.480 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.852 -6.812 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.554 -4.356 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.184 -4.949 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.814 -3.265 3.442 1.00 0.00 H new ATOM 938 N SER A 66 -11.669 -4.236 6.580 1.00 0.00 N ATOM 939 CA SER A 66 -10.881 -4.568 7.747 1.00 0.00 C ATOM 940 C SER A 66 -10.356 -5.979 7.596 1.00 0.00 C ATOM 941 O SER A 66 -10.906 -6.776 6.839 1.00 0.00 O ATOM 942 CB SER A 66 -11.776 -4.458 8.969 1.00 0.00 C ATOM 943 OG SER A 66 -12.132 -3.102 9.172 1.00 0.00 O ATOM 0 H SER A 66 -12.553 -4.745 6.554 1.00 0.00 H new ATOM 0 HA SER A 66 -10.035 -3.890 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.672 -5.064 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.260 -4.845 9.847 1.00 0.00 H new ATOM 0 HG SER A 66 -12.711 -3.030 9.959 1.00 0.00 H new ATOM 949 N HIS A 67 -9.306 -6.299 8.345 1.00 0.00 N ATOM 950 CA HIS A 67 -8.581 -7.547 8.210 1.00 0.00 C ATOM 951 C HIS A 67 -9.513 -8.749 8.219 1.00 0.00 C ATOM 952 O HIS A 67 -9.451 -9.566 7.310 1.00 0.00 O ATOM 953 CB HIS A 67 -7.496 -7.590 9.287 1.00 0.00 C ATOM 954 CG HIS A 67 -6.856 -8.934 9.496 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.608 -9.290 9.047 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.378 -9.995 10.193 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.379 -10.542 9.467 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.427 -11.018 10.161 1.00 0.00 N ATOM 0 H HIS A 67 -8.934 -5.687 9.071 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.092 -7.599 7.237 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.719 -6.872 9.026 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -7.930 -7.261 10.231 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.343 -10.032 10.676 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.472 -11.095 9.273 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.511 -11.944 10.581 1.00 0.00 H new ATOM 966 N THR A 68 -10.398 -8.840 9.200 1.00 0.00 N ATOM 967 CA THR A 68 -11.266 -9.982 9.391 1.00 0.00 C ATOM 968 C THR A 68 -12.242 -10.136 8.216 1.00 0.00 C ATOM 969 O THR A 68 -12.561 -11.269 7.858 1.00 0.00 O ATOM 970 CB THR A 68 -11.959 -9.807 10.745 1.00 0.00 C ATOM 971 OG1 THR A 68 -10.986 -9.644 11.771 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.843 -10.985 11.097 1.00 0.00 C ATOM 0 H THR A 68 -10.532 -8.107 9.896 1.00 0.00 H new ATOM 0 HA THR A 68 -10.700 -10.913 9.406 1.00 0.00 H new ATOM 0 HB THR A 68 -12.589 -8.921 10.666 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.436 -9.531 12.634 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.311 -10.812 12.066 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.615 -11.101 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.240 -11.892 11.142 1.00 0.00 H new ATOM 980 N GLU A 69 -12.655 -9.038 7.576 1.00 0.00 N ATOM 981 CA GLU A 69 -13.489 -9.071 6.379 1.00 0.00 C ATOM 982 C GLU A 69 -12.704 -9.720 5.233 1.00 0.00 C ATOM 983 O GLU A 69 -13.226 -10.583 4.532 1.00 0.00 O ATOM 984 CB GLU A 69 -13.905 -7.648 5.974 1.00 0.00 C ATOM 985 CG GLU A 69 -14.524 -6.802 7.096 1.00 0.00 C ATOM 986 CD GLU A 69 -15.980 -7.171 7.354 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.876 -6.564 6.721 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.223 -8.043 8.215 1.00 0.00 O ATOM 0 H GLU A 69 -12.416 -8.094 7.880 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.387 -9.651 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.029 -7.126 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.621 -7.716 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.948 -6.937 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.459 -5.746 6.832 1.00 0.00 H new ATOM 995 N VAL A 70 -11.438 -9.326 5.048 1.00 0.00 N ATOM 996 CA VAL A 70 -10.578 -9.788 3.966 1.00 0.00 C ATOM 997 C VAL A 70 -10.242 -11.263 4.194 1.00 0.00 C ATOM 998 O VAL A 70 -10.202 -12.053 3.252 1.00 0.00 O ATOM 999 CB VAL A 70 -9.328 -8.884 3.919 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.364 -9.259 2.785 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.708 -7.406 3.726 1.00 0.00 C ATOM 0 H VAL A 70 -10.977 -8.659 5.667 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.072 -9.719 2.997 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.834 -9.035 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.504 -8.589 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.026 -10.287 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.876 -9.168 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.803 -6.798 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.253 -7.290 2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.337 -7.081 4.554 1.00 0.00 H new ATOM 1011 N VAL A 71 -10.044 -11.661 5.450 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.893 -13.049 5.849 1.00 0.00 C ATOM 1013 C VAL A 71 -11.130 -13.826 5.429 1.00 0.00 C ATOM 1014 O VAL A 71 -10.980 -14.918 4.893 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.656 -13.125 7.368 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.670 -14.560 7.911 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.294 -12.541 7.691 1.00 0.00 C ATOM 0 H VAL A 71 -9.984 -11.008 6.232 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.029 -13.496 5.356 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.470 -12.570 7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.497 -14.544 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.638 -15.017 7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.885 -15.140 7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.122 -12.593 8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.522 -13.109 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.258 -11.501 7.367 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.319 -13.285 5.678 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.586 -13.990 5.440 1.00 0.00 C ATOM 1029 C ASP A 72 -13.888 -14.157 3.948 1.00 0.00 C ATOM 1030 O ASP A 72 -14.419 -15.181 3.512 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.761 -13.290 6.136 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.693 -14.349 6.715 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.262 -14.947 7.730 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -16.793 -14.591 6.167 1.00 0.00 O ATOM 0 H ASP A 72 -12.437 -12.343 6.052 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.465 -14.984 5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.395 -12.636 6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.299 -12.661 5.427 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.491 -13.166 3.150 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.461 -13.205 1.694 1.00 0.00 C ATOM 1041 C ILE A 73 -12.521 -14.341 1.279 1.00 0.00 C ATOM 1042 O ILE A 73 -12.951 -15.282 0.612 1.00 0.00 O ATOM 1043 CB ILE A 73 -13.069 -11.794 1.189 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.261 -10.845 1.453 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.669 -11.725 -0.295 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.882 -9.366 1.427 1.00 0.00 C ATOM 0 H ILE A 73 -13.167 -12.273 3.522 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.424 -13.428 1.236 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.174 -11.498 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -15.032 -11.027 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.696 -11.083 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.412 -10.698 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.808 -12.370 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.503 -12.058 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.767 -8.760 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.133 -9.169 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.475 -9.112 0.448 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.265 -14.324 1.739 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.289 -15.367 1.421 1.00 0.00 C ATOM 1060 C LEU A 74 -10.734 -16.744 1.933 1.00 0.00 C ATOM 1061 O LEU A 74 -10.367 -17.758 1.342 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.901 -15.001 1.973 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.261 -13.774 1.301 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -7.137 -13.221 2.183 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.691 -14.091 -0.089 1.00 0.00 C ATOM 0 H LEU A 74 -10.899 -13.587 2.341 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.224 -15.431 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.986 -14.813 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.236 -15.856 1.851 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.053 -13.035 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.689 -12.353 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.544 -12.928 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.376 -13.988 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.252 -13.190 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.925 -14.861 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.491 -14.448 -0.738 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.539 -16.827 2.998 1.00 0.00 N ATOM 1078 CA LYS A 75 -12.134 -18.077 3.476 1.00 0.00 C ATOM 1079 C LYS A 75 -13.123 -18.605 2.449 1.00 0.00 C ATOM 1080 O LYS A 75 -13.125 -19.812 2.223 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.877 -17.885 4.803 1.00 0.00 C ATOM 1082 CG LYS A 75 -12.007 -17.829 6.066 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.824 -17.296 7.258 1.00 0.00 C ATOM 1084 CE LYS A 75 -13.049 -18.288 8.397 1.00 0.00 C ATOM 1085 NZ LYS A 75 -11.825 -18.623 9.140 1.00 0.00 N ATOM 0 H LYS A 75 -11.798 -16.016 3.559 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.318 -18.784 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.453 -16.961 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.592 -18.700 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.623 -18.823 6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.144 -17.187 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.318 -16.418 7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.795 -16.964 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.781 -17.873 9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.478 -19.203 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.052 -19.300 9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.131 -19.048 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.425 -17.759 9.557 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.926 -17.733 1.838 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.923 -18.089 0.825 1.00 0.00 C ATOM 1101 C ASP A 76 -14.259 -18.757 -0.375 1.00 0.00 C ATOM 1102 O ASP A 76 -14.762 -19.765 -0.868 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.716 -16.846 0.396 1.00 0.00 C ATOM 1104 CG ASP A 76 -17.176 -17.152 0.049 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.444 -18.042 -0.785 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -18.057 -16.466 0.629 1.00 0.00 O ATOM 0 H ASP A 76 -13.901 -16.733 2.039 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.620 -18.804 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.687 -16.109 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.231 -16.394 -0.469 1.00 0.00 H new ATOM 1111 N CYS A 77 -13.095 -18.233 -0.782 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.334 -18.695 -1.938 1.00 0.00 C ATOM 1113 C CYS A 77 -12.141 -20.224 -1.934 1.00 0.00 C ATOM 1114 O CYS A 77 -11.824 -20.807 -0.892 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.967 -18.010 -1.955 1.00 0.00 C ATOM 1116 SG CYS A 77 -11.122 -16.206 -2.076 1.00 0.00 S ATOM 0 H CYS A 77 -12.649 -17.454 -0.298 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.901 -18.436 -2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.419 -18.268 -1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.384 -18.382 -2.797 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.838 -15.764 -1.084 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.251 -20.875 -3.098 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.152 -22.318 -3.242 1.00 0.00 C ATOM 1124 C PRO A 78 -10.737 -22.803 -2.933 1.00 0.00 C ATOM 1125 O PRO A 78 -9.766 -22.421 -3.595 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.605 -22.621 -4.675 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.570 -21.285 -5.427 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.539 -20.218 -4.357 1.00 0.00 C ATOM 0 HA PRO A 78 -12.783 -22.853 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.945 -23.350 -5.146 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.608 -23.047 -4.684 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.693 -21.220 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.445 -21.173 -6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.779 -19.470 -4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.495 -19.696 -4.308 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.621 -23.652 -1.907 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.401 -24.386 -1.597 1.00 0.00 C ATOM 1138 C ILE A 79 -9.017 -25.186 -2.850 1.00 0.00 C ATOM 1139 O ILE A 79 -9.864 -25.802 -3.507 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.620 -25.274 -0.352 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.781 -24.481 0.966 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.507 -26.330 -0.196 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -8.476 -24.104 1.675 1.00 0.00 C ATOM 0 H ILE A 79 -11.386 -23.848 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.578 -23.717 -1.345 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.569 -25.777 -0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.335 -23.567 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.389 -25.071 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.699 -26.933 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.490 -26.974 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.544 -25.831 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.704 -23.551 2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.925 -25.010 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.870 -23.482 1.016 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.725 -25.183 -3.169 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.135 -25.911 -4.276 1.00 0.00 C ATOM 1157 C GLY A 80 -7.553 -25.379 -5.640 1.00 0.00 C ATOM 1158 O GLY A 80 -7.416 -26.110 -6.620 1.00 0.00 O ATOM 0 H GLY A 80 -7.037 -24.649 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.049 -25.866 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.417 -26.961 -4.202 1.00 0.00 H new ATOM 1162 N SER A 81 -8.053 -24.149 -5.710 1.00 0.00 N ATOM 1163 CA SER A 81 -8.266 -23.397 -6.932 1.00 0.00 C ATOM 1164 C SER A 81 -7.310 -22.203 -6.907 1.00 0.00 C ATOM 1165 O SER A 81 -6.779 -21.848 -5.844 1.00 0.00 O ATOM 1166 CB SER A 81 -9.738 -22.970 -6.948 1.00 0.00 C ATOM 1167 OG SER A 81 -10.112 -22.268 -8.110 1.00 0.00 O ATOM 0 H SER A 81 -8.332 -23.631 -4.877 1.00 0.00 H new ATOM 0 HA SER A 81 -8.065 -23.973 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.365 -23.856 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.935 -22.345 -6.077 1.00 0.00 H new ATOM 0 HG SER A 81 -9.759 -21.355 -8.068 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.109 -21.580 -8.067 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.531 -20.254 -8.182 1.00 0.00 C ATOM 1175 C GLU A 82 -7.437 -19.215 -7.497 1.00 0.00 C ATOM 1176 O GLU A 82 -8.644 -19.402 -7.323 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.237 -19.859 -9.646 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.783 -20.109 -10.104 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.446 -21.521 -10.590 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.339 -22.394 -10.650 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.262 -21.774 -10.923 1.00 0.00 O ATOM 0 H GLU A 82 -7.350 -21.996 -8.967 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.569 -20.274 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.910 -20.414 -10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.467 -18.802 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.555 -19.409 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.119 -19.868 -9.274 1.00 0.00 H new ATOM 1188 N THR A 83 -6.826 -18.124 -7.058 1.00 0.00 N ATOM 1189 CA THR A 83 -7.417 -16.855 -6.688 1.00 0.00 C ATOM 1190 C THR A 83 -6.550 -15.790 -7.381 1.00 0.00 C ATOM 1191 O THR A 83 -5.324 -15.923 -7.444 1.00 0.00 O ATOM 1192 CB THR A 83 -7.439 -16.758 -5.147 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.644 -17.292 -4.638 1.00 0.00 O ATOM 1194 CG2 THR A 83 -7.364 -15.333 -4.606 1.00 0.00 C ATOM 0 H THR A 83 -5.813 -18.108 -6.943 1.00 0.00 H new ATOM 0 HA THR A 83 -8.452 -16.724 -7.004 1.00 0.00 H new ATOM 0 HB THR A 83 -6.554 -17.310 -4.830 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.644 -17.225 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.385 -15.356 -3.516 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.439 -14.865 -4.941 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.215 -14.759 -4.973 1.00 0.00 H new ATOM 1202 N SER A 84 -7.177 -14.739 -7.899 1.00 0.00 N ATOM 1203 CA SER A 84 -6.557 -13.523 -8.374 1.00 0.00 C ATOM 1204 C SER A 84 -6.482 -12.590 -7.180 1.00 0.00 C ATOM 1205 O SER A 84 -7.489 -12.423 -6.480 1.00 0.00 O ATOM 1206 CB SER A 84 -7.483 -12.873 -9.403 1.00 0.00 C ATOM 1207 OG SER A 84 -7.459 -13.551 -10.645 1.00 0.00 O ATOM 0 H SER A 84 -8.192 -14.720 -8.001 1.00 0.00 H new ATOM 0 HA SER A 84 -5.579 -13.720 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.502 -12.861 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.187 -11.835 -9.552 1.00 0.00 H new ATOM 0 HG SER A 84 -8.065 -13.105 -11.273 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.346 -11.927 -6.990 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.267 -10.755 -6.137 1.00 0.00 C ATOM 1215 C LEU A 85 -4.864 -9.557 -6.989 1.00 0.00 C ATOM 1216 O LEU A 85 -4.363 -9.714 -8.104 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.256 -10.960 -4.990 1.00 0.00 C ATOM 1218 CG LEU A 85 -4.936 -11.280 -3.650 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.522 -12.689 -3.632 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -3.913 -11.165 -2.513 1.00 0.00 C ATOM 0 H LEU A 85 -4.460 -12.188 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.242 -10.581 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.577 -11.771 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.651 -10.060 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.747 -10.564 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.993 -12.875 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.266 -12.784 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.726 -13.416 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.397 -11.392 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.099 -11.870 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.514 -10.151 -2.483 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.062 -8.365 -6.433 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.476 -7.116 -6.887 1.00 0.00 C ATOM 1234 C ILE A 86 -3.924 -6.452 -5.627 1.00 0.00 C ATOM 1235 O ILE A 86 -4.589 -6.469 -4.586 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.518 -6.256 -7.616 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.156 -7.094 -8.748 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.903 -4.980 -8.183 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.936 -6.327 -9.807 1.00 0.00 C ATOM 0 H ILE A 86 -5.663 -8.242 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.681 -7.265 -7.618 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.281 -5.953 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.364 -7.653 -9.246 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.825 -7.825 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.673 -4.400 -8.691 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.479 -4.389 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.117 -5.239 -8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.333 -7.026 -10.544 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.759 -5.790 -9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.275 -5.615 -10.301 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.725 -5.878 -5.700 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.997 -5.276 -4.592 1.00 0.00 C ATOM 1253 C ILE A 87 -1.431 -3.918 -5.040 1.00 0.00 C ATOM 1254 O ILE A 87 -1.255 -3.667 -6.233 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.933 -6.269 -4.040 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.238 -6.554 -5.019 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.611 -7.579 -3.581 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.387 -5.551 -4.887 1.00 0.00 C ATOM 0 H ILE A 87 -2.211 -5.819 -6.579 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.661 -5.073 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.474 -5.778 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.618 -7.559 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.138 -6.534 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.856 -8.265 -3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.334 -7.359 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.123 -8.039 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.174 -5.804 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.019 -4.546 -5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.787 -5.587 -3.874 1.00 0.00 H new ATOM 1270 N HIS A 88 -1.149 -3.023 -4.093 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.776 -1.643 -4.355 1.00 0.00 C ATOM 1272 C HIS A 88 0.750 -1.544 -4.448 1.00 0.00 C ATOM 1273 O HIS A 88 1.426 -1.479 -3.413 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.381 -0.749 -3.248 1.00 0.00 C ATOM 1275 CG HIS A 88 -2.121 0.476 -3.734 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -3.315 0.931 -3.219 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.736 1.358 -4.714 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -3.648 2.050 -3.875 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.685 2.386 -4.750 1.00 0.00 N ATOM 0 H HIS A 88 -1.176 -3.249 -3.099 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.173 -1.293 -5.308 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.065 -1.352 -2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.578 -0.428 -2.585 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.851 0.493 -2.470 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.861 1.274 -5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.562 2.605 -3.722 1.00 0.00 H new ATOM 1287 N ARG A 89 1.320 -1.531 -5.659 1.00 0.00 N ATOM 1288 CA ARG A 89 2.728 -1.190 -5.884 1.00 0.00 C ATOM 1289 C ARG A 89 2.920 -0.673 -7.312 1.00 0.00 C ATOM 1290 O ARG A 89 2.067 -0.883 -8.178 1.00 0.00 O ATOM 1291 CB ARG A 89 3.642 -2.404 -5.594 1.00 0.00 C ATOM 1292 CG ARG A 89 4.633 -2.100 -4.460 1.00 0.00 C ATOM 1293 CD ARG A 89 5.481 -3.315 -4.063 1.00 0.00 C ATOM 1294 NE ARG A 89 6.523 -3.620 -5.053 1.00 0.00 N ATOM 1295 CZ ARG A 89 7.420 -4.609 -4.976 1.00 0.00 C ATOM 1296 NH1 ARG A 89 7.458 -5.431 -3.932 1.00 0.00 N ATOM 1297 NH2 ARG A 89 8.308 -4.793 -5.939 1.00 0.00 N ATOM 0 H ARG A 89 0.813 -1.758 -6.515 1.00 0.00 H new ATOM 0 HA ARG A 89 3.013 -0.397 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.031 -3.265 -5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.191 -2.672 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.292 -1.289 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.082 -1.748 -3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.947 -3.129 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.833 -4.183 -3.943 1.00 0.00 H new ATOM 0 HE ARG A 89 6.566 -3.021 -5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.794 -5.315 -3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.152 -6.178 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.314 -4.177 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.987 -5.551 -5.869 1.00 0.00 H new ATOM 1311 N GLY A 90 4.051 -0.007 -7.539 1.00 0.00 N ATOM 1312 CA GLY A 90 4.431 0.603 -8.802 1.00 0.00 C ATOM 1313 C GLY A 90 5.919 0.394 -9.012 1.00 0.00 C ATOM 1314 O GLY A 90 6.307 -0.324 -9.931 1.00 0.00 O ATOM 0 H GLY A 90 4.755 0.125 -6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.867 0.158 -9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.196 1.667 -8.794 1.00 0.00 H new ATOM 1318 N SER A 91 6.757 0.959 -8.142 1.00 0.00 N ATOM 1319 CA SER A 91 8.187 0.693 -8.133 1.00 0.00 C ATOM 1320 C SER A 91 8.744 0.803 -6.707 1.00 0.00 C ATOM 1321 O SER A 91 7.999 0.697 -5.725 1.00 0.00 O ATOM 1322 CB SER A 91 8.876 1.622 -9.142 1.00 0.00 C ATOM 1323 OG SER A 91 10.081 1.044 -9.607 1.00 0.00 O ATOM 0 H SER A 91 6.457 1.616 -7.422 1.00 0.00 H new ATOM 0 HA SER A 91 8.391 -0.330 -8.449 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.209 1.813 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.084 2.585 -8.675 1.00 0.00 H new ATOM 0 HG SER A 91 10.507 1.648 -10.251 1.00 0.00 H new ATOM 1329 N GLY A 92 10.063 0.940 -6.579 1.00 0.00 N ATOM 1330 CA GLY A 92 10.772 1.234 -5.343 1.00 0.00 C ATOM 1331 C GLY A 92 11.332 2.660 -5.349 1.00 0.00 C ATOM 1332 O GLY A 92 11.195 3.381 -6.339 1.00 0.00 O ATOM 0 H GLY A 92 10.693 0.844 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.098 1.109 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.586 0.522 -5.210 1.00 0.00 H new ATOM 1336 N PRO A 93 11.960 3.083 -4.238 1.00 0.00 N ATOM 1337 CA PRO A 93 12.432 4.450 -4.066 1.00 0.00 C ATOM 1338 C PRO A 93 13.731 4.735 -4.825 1.00 0.00 C ATOM 1339 O PRO A 93 13.940 5.867 -5.263 1.00 0.00 O ATOM 1340 CB PRO A 93 12.650 4.602 -2.555 1.00 0.00 C ATOM 1341 CG PRO A 93 12.994 3.189 -2.095 1.00 0.00 C ATOM 1342 CD PRO A 93 12.138 2.318 -3.012 1.00 0.00 C ATOM 0 HA PRO A 93 11.709 5.159 -4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 93 13.456 5.302 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.756 4.979 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.057 2.974 -2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.748 3.034 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.627 1.365 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.177 2.091 -2.550 1.00 0.00 H new ATOM 1350 N SER A 94 14.614 3.742 -4.932 1.00 0.00 N ATOM 1351 CA SER A 94 16.027 3.920 -5.209 1.00 0.00 C ATOM 1352 C SER A 94 16.293 3.980 -6.716 1.00 0.00 C ATOM 1353 O SER A 94 16.235 2.933 -7.378 1.00 0.00 O ATOM 1354 CB SER A 94 16.771 2.772 -4.512 1.00 0.00 C ATOM 1355 OG SER A 94 16.173 1.509 -4.786 1.00 0.00 O ATOM 0 H SER A 94 14.350 2.763 -4.824 1.00 0.00 H new ATOM 0 HA SER A 94 16.389 4.872 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.810 2.761 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.778 2.945 -3.436 1.00 0.00 H new ATOM 0 HG SER A 94 15.947 1.454 -5.738 1.00 0.00 H new ATOM 1361 N SER A 95 16.621 5.172 -7.227 1.00 0.00 N ATOM 1362 CA SER A 95 16.833 5.493 -8.641 1.00 0.00 C ATOM 1363 C SER A 95 15.510 5.512 -9.420 1.00 0.00 C ATOM 1364 O SER A 95 14.427 5.407 -8.831 1.00 0.00 O ATOM 1365 CB SER A 95 17.894 4.579 -9.271 1.00 0.00 C ATOM 1366 OG SER A 95 19.068 4.540 -8.479 1.00 0.00 O ATOM 0 H SER A 95 16.753 5.987 -6.628 1.00 0.00 H new ATOM 0 HA SER A 95 17.231 6.506 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.492 3.572 -9.381 1.00 0.00 H new ATOM 0 HB3 SER A 95 18.138 4.936 -10.272 1.00 0.00 H new ATOM 0 HG SER A 95 19.727 3.950 -8.900 1.00 0.00 H new ATOM 1372 N GLY A 96 15.568 5.718 -10.735 1.00 0.00 N ATOM 1373 CA GLY A 96 14.413 5.876 -11.598 1.00 0.00 C ATOM 1374 C GLY A 96 14.893 6.458 -12.904 1.00 0.00 C ATOM 1375 O GLY A 96 16.018 6.120 -13.327 1.00 0.00 O ATOM 0 H GLY A 96 16.452 5.781 -11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.925 4.915 -11.764 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.676 6.532 -11.135 1.00 0.00 H new TER 1379 GLY A 96