USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 466 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 53 GLN : amide:sc= -0.486 X(o=-1.8,f=-1.5) USER MOD Set 1.2: A 57 ASN : amide:sc= -1.35 X(o=-1.8,f=-1.4!) USER MOD Set 2.1: A 39 HIS :FLIP no HD1:sc= -0.355 F(o=-1.6,f=-0.35) USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 29:sc= 0.134 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -6:sc= 1.16 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 16 GLN : amide:sc= -0.542 K(o=-0.54,f=-4.3!) USER MOD Single : A 18 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc=-0.00592 (180deg=-0.00592) USER MOD Single : A 24 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= 0.0161 X(o=0.016,f=0) USER MOD Single : A 29 THR OG1 : rot -94:sc= 0.812 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -106:sc= -0.377 (180deg=-2.82!) USER MOD Single : A 36 GLN : amide:sc=-0.00127 X(o=-0.0013,f=-0.24) USER MOD Single : A 37 CYS SG : rot -75:sc= -1.12 USER MOD Single : A 43 GLN : amide:sc= -0.287 K(o=-0.29,f=-3.1!) USER MOD Single : A 44 HIS : no HE2:sc= -7.68! C(o=-7.7!,f=-9.4!) USER MOD Single : A 45 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.2!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 43:sc= 0.299 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.230 19.962 23.170 1.00 0.00 N ATOM 2 CA GLY A 1 3.434 20.176 22.384 1.00 0.00 C ATOM 3 C GLY A 1 3.562 19.124 21.281 1.00 0.00 C ATOM 4 O GLY A 1 3.497 19.450 20.096 1.00 0.00 O ATOM 0 H1 GLY A 1 2.166 20.688 23.912 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.396 20.024 22.552 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.265 19.020 23.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.411 21.172 21.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.309 20.136 23.033 1.00 0.00 H new ATOM 8 N SER A 2 3.742 17.883 21.709 1.00 0.00 N ATOM 9 CA SER A 2 3.880 16.781 20.772 1.00 0.00 C ATOM 10 C SER A 2 2.640 15.887 20.828 1.00 0.00 C ATOM 11 O SER A 2 1.966 15.819 21.855 1.00 0.00 O ATOM 12 CB SER A 2 5.138 15.961 21.067 1.00 0.00 C ATOM 13 OG SER A 2 4.943 15.055 22.149 1.00 0.00 O ATOM 0 H SER A 2 3.795 17.616 22.692 1.00 0.00 H new ATOM 0 HA SER A 2 3.976 17.196 19.769 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.425 15.404 20.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.963 16.634 21.302 1.00 0.00 H new ATOM 0 HG SER A 2 5.768 14.549 22.305 1.00 0.00 H new ATOM 19 N SER A 3 2.376 15.224 19.712 1.00 0.00 N ATOM 20 CA SER A 3 1.228 14.338 19.621 1.00 0.00 C ATOM 21 C SER A 3 1.337 13.467 18.368 1.00 0.00 C ATOM 22 O SER A 3 1.388 13.983 17.252 1.00 0.00 O ATOM 23 CB SER A 3 -0.080 15.131 19.605 1.00 0.00 C ATOM 24 OG SER A 3 -0.073 16.152 18.611 1.00 0.00 O ATOM 0 H SER A 3 2.938 15.283 18.863 1.00 0.00 H new ATOM 0 HA SER A 3 1.221 13.696 20.502 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.913 14.452 19.422 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.244 15.580 20.585 1.00 0.00 H new ATOM 0 HG SER A 3 0.505 15.881 17.867 1.00 0.00 H new ATOM 30 N GLY A 4 1.368 12.162 18.594 1.00 0.00 N ATOM 31 CA GLY A 4 1.470 11.215 17.496 1.00 0.00 C ATOM 32 C GLY A 4 2.932 10.963 17.123 1.00 0.00 C ATOM 33 O GLY A 4 3.390 11.395 16.066 1.00 0.00 O ATOM 0 H GLY A 4 1.324 11.738 19.521 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.995 10.275 17.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.931 11.598 16.630 1.00 0.00 H new ATOM 37 N SER A 5 3.625 10.266 18.012 1.00 0.00 N ATOM 38 CA SER A 5 5.026 9.951 17.789 1.00 0.00 C ATOM 39 C SER A 5 5.875 11.217 17.928 1.00 0.00 C ATOM 40 O SER A 5 6.757 11.286 18.782 1.00 0.00 O ATOM 41 CB SER A 5 5.236 9.320 16.412 1.00 0.00 C ATOM 42 OG SER A 5 6.188 8.260 16.450 1.00 0.00 O ATOM 0 H SER A 5 3.242 9.911 18.888 1.00 0.00 H new ATOM 0 HA SER A 5 5.338 9.227 18.542 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.285 8.940 16.039 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.572 10.084 15.711 1.00 0.00 H new ATOM 0 HG SER A 5 6.293 7.882 15.552 1.00 0.00 H new ATOM 48 N SER A 6 5.578 12.186 17.075 1.00 0.00 N ATOM 49 CA SER A 6 6.303 13.445 17.091 1.00 0.00 C ATOM 50 C SER A 6 5.509 14.516 16.340 1.00 0.00 C ATOM 51 O SER A 6 4.932 14.242 15.289 1.00 0.00 O ATOM 52 CB SER A 6 7.695 13.288 16.477 1.00 0.00 C ATOM 53 OG SER A 6 8.541 12.465 17.276 1.00 0.00 O ATOM 0 H SER A 6 4.845 12.125 16.368 1.00 0.00 H new ATOM 0 HA SER A 6 6.427 13.754 18.129 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.605 12.856 15.480 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.152 14.270 16.358 1.00 0.00 H new ATOM 0 HG SER A 6 8.084 12.242 18.114 1.00 0.00 H new ATOM 59 N GLY A 7 5.507 15.713 16.908 1.00 0.00 N ATOM 60 CA GLY A 7 4.794 16.826 16.304 1.00 0.00 C ATOM 61 C GLY A 7 5.640 17.496 15.220 1.00 0.00 C ATOM 62 O GLY A 7 6.820 17.772 15.431 1.00 0.00 O ATOM 0 H GLY A 7 5.987 15.936 17.780 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.858 16.472 15.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.535 17.556 17.071 1.00 0.00 H new ATOM 66 N ALA A 8 5.004 17.740 14.084 1.00 0.00 N ATOM 67 CA ALA A 8 5.684 18.372 12.966 1.00 0.00 C ATOM 68 C ALA A 8 5.061 19.746 12.707 1.00 0.00 C ATOM 69 O ALA A 8 3.900 19.977 13.041 1.00 0.00 O ATOM 70 CB ALA A 8 5.611 17.459 11.741 1.00 0.00 C ATOM 0 H ALA A 8 4.025 17.511 13.913 1.00 0.00 H new ATOM 0 HA ALA A 8 6.738 18.525 13.195 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.121 17.933 10.903 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.092 16.508 11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.567 17.285 11.479 1.00 0.00 H new ATOM 76 N PRO A 9 5.881 20.644 12.099 1.00 0.00 N ATOM 77 CA PRO A 9 5.423 21.988 11.792 1.00 0.00 C ATOM 78 C PRO A 9 4.478 21.983 10.588 1.00 0.00 C ATOM 79 O PRO A 9 4.882 22.323 9.477 1.00 0.00 O ATOM 80 CB PRO A 9 6.691 22.790 11.549 1.00 0.00 C ATOM 81 CG PRO A 9 7.783 21.770 11.272 1.00 0.00 C ATOM 82 CD PRO A 9 7.262 20.404 11.690 1.00 0.00 C ATOM 0 HA PRO A 9 4.838 22.428 12.600 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.568 23.469 10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.939 23.401 12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.047 21.771 10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.688 22.019 11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.313 19.692 10.867 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.851 19.989 12.508 1.00 0.00 H new ATOM 90 N GLU A 10 3.239 21.593 10.850 1.00 0.00 N ATOM 91 CA GLU A 10 2.235 21.539 9.801 1.00 0.00 C ATOM 92 C GLU A 10 2.700 20.625 8.667 1.00 0.00 C ATOM 93 O GLU A 10 3.851 20.193 8.645 1.00 0.00 O ATOM 94 CB GLU A 10 1.912 22.941 9.279 1.00 0.00 C ATOM 95 CG GLU A 10 1.090 23.731 10.299 1.00 0.00 C ATOM 96 CD GLU A 10 -0.208 24.247 9.676 1.00 0.00 C ATOM 97 OE1 GLU A 10 -1.085 23.398 9.407 1.00 0.00 O ATOM 98 OE2 GLU A 10 -0.295 25.479 9.484 1.00 0.00 O ATOM 0 H GLU A 10 2.908 21.312 11.773 1.00 0.00 H new ATOM 0 HA GLU A 10 1.319 21.124 10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.838 23.474 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.360 22.866 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.860 23.097 11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.677 24.570 10.673 1.00 0.00 H new ATOM 105 N GLU A 11 1.780 20.356 7.751 1.00 0.00 N ATOM 106 CA GLU A 11 2.081 19.501 6.616 1.00 0.00 C ATOM 107 C GLU A 11 2.407 18.083 7.092 1.00 0.00 C ATOM 108 O GLU A 11 3.512 17.822 7.566 1.00 0.00 O ATOM 109 CB GLU A 11 3.229 20.077 5.784 1.00 0.00 C ATOM 110 CG GLU A 11 2.784 20.340 4.344 1.00 0.00 C ATOM 111 CD GLU A 11 3.456 21.595 3.783 1.00 0.00 C ATOM 112 OE1 GLU A 11 4.694 21.687 3.925 1.00 0.00 O ATOM 113 OE2 GLU A 11 2.716 22.434 3.225 1.00 0.00 O ATOM 0 H GLU A 11 0.826 20.716 7.773 1.00 0.00 H new ATOM 0 HA GLU A 11 1.200 19.456 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.580 21.005 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.070 19.383 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.032 19.481 3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.701 20.457 4.310 1.00 0.00 H new ATOM 120 N ARG A 12 1.426 17.205 6.948 1.00 0.00 N ATOM 121 CA ARG A 12 1.594 15.821 7.357 1.00 0.00 C ATOM 122 C ARG A 12 2.746 15.176 6.584 1.00 0.00 C ATOM 123 O ARG A 12 3.229 15.735 5.601 1.00 0.00 O ATOM 124 CB ARG A 12 0.315 15.016 7.117 1.00 0.00 C ATOM 125 CG ARG A 12 -0.195 14.396 8.419 1.00 0.00 C ATOM 126 CD ARG A 12 -1.368 13.450 8.154 1.00 0.00 C ATOM 127 NE ARG A 12 -0.998 12.067 8.530 1.00 0.00 N ATOM 128 CZ ARG A 12 -1.792 11.002 8.352 1.00 0.00 C ATOM 129 NH1 ARG A 12 -3.004 11.155 7.803 1.00 0.00 N ATOM 130 NH2 ARG A 12 -1.373 9.785 8.724 1.00 0.00 N ATOM 0 H ARG A 12 0.511 17.425 6.554 1.00 0.00 H new ATOM 0 HA ARG A 12 1.818 15.815 8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.453 15.664 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.507 14.230 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.613 13.851 8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.507 15.185 9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.240 13.770 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.645 13.487 7.101 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.081 11.915 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.323 12.082 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.608 10.345 7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.450 9.669 9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.977 8.974 8.589 1.00 0.00 H new ATOM 144 N ASP A 13 3.154 14.008 7.059 1.00 0.00 N ATOM 145 CA ASP A 13 4.241 13.281 6.425 1.00 0.00 C ATOM 146 C ASP A 13 4.366 11.898 7.068 1.00 0.00 C ATOM 147 O ASP A 13 4.082 11.732 8.253 1.00 0.00 O ATOM 148 CB ASP A 13 5.573 14.010 6.610 1.00 0.00 C ATOM 149 CG ASP A 13 6.780 13.327 5.964 1.00 0.00 C ATOM 150 OD1 ASP A 13 6.749 13.176 4.723 1.00 0.00 O ATOM 151 OD2 ASP A 13 7.705 12.970 6.725 1.00 0.00 O ATOM 0 H ASP A 13 2.751 13.547 7.875 1.00 0.00 H new ATOM 0 HA ASP A 13 4.018 13.201 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.480 15.015 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.765 14.119 7.677 1.00 0.00 H new ATOM 156 N LEU A 14 4.791 10.940 6.257 1.00 0.00 N ATOM 157 CA LEU A 14 4.958 9.577 6.731 1.00 0.00 C ATOM 158 C LEU A 14 6.180 9.506 7.649 1.00 0.00 C ATOM 159 O LEU A 14 7.111 10.297 7.510 1.00 0.00 O ATOM 160 CB LEU A 14 5.016 8.603 5.552 1.00 0.00 C ATOM 161 CG LEU A 14 3.874 8.706 4.540 1.00 0.00 C ATOM 162 CD1 LEU A 14 4.129 7.802 3.332 1.00 0.00 C ATOM 163 CD2 LEU A 14 2.527 8.410 5.202 1.00 0.00 C ATOM 0 H LEU A 14 5.025 11.081 5.274 1.00 0.00 H new ATOM 0 HA LEU A 14 4.096 9.272 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.957 8.758 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.035 7.587 5.946 1.00 0.00 H new ATOM 0 HG LEU A 14 3.834 9.731 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.302 7.894 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.057 8.100 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.210 6.767 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.732 8.490 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.538 7.401 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.350 9.128 6.003 1.00 0.00 H new ATOM 175 N THR A 15 6.137 8.551 8.566 1.00 0.00 N ATOM 176 CA THR A 15 7.229 8.367 9.506 1.00 0.00 C ATOM 177 C THR A 15 7.913 7.019 9.271 1.00 0.00 C ATOM 178 O THR A 15 7.420 6.193 8.504 1.00 0.00 O ATOM 179 CB THR A 15 6.667 8.524 10.920 1.00 0.00 C ATOM 180 OG1 THR A 15 7.431 7.610 11.701 1.00 0.00 O ATOM 181 CG2 THR A 15 5.232 8.007 11.041 1.00 0.00 C ATOM 0 H THR A 15 5.363 7.896 8.678 1.00 0.00 H new ATOM 0 HA THR A 15 8.005 9.119 9.363 1.00 0.00 H new ATOM 0 HB THR A 15 6.700 9.575 11.208 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.133 7.648 12.634 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.882 8.142 12.064 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.587 8.562 10.360 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.204 6.948 10.785 1.00 0.00 H new ATOM 189 N GLN A 16 9.040 6.838 9.944 1.00 0.00 N ATOM 190 CA GLN A 16 9.797 5.604 9.818 1.00 0.00 C ATOM 191 C GLN A 16 8.906 4.400 10.129 1.00 0.00 C ATOM 192 O GLN A 16 9.227 3.273 9.754 1.00 0.00 O ATOM 193 CB GLN A 16 11.030 5.623 10.724 1.00 0.00 C ATOM 194 CG GLN A 16 12.063 4.591 10.265 1.00 0.00 C ATOM 195 CD GLN A 16 11.970 3.313 11.102 1.00 0.00 C ATOM 196 OE1 GLN A 16 10.967 3.025 11.733 1.00 0.00 O ATOM 197 NE2 GLN A 16 13.070 2.566 11.071 1.00 0.00 N ATOM 0 H GLN A 16 9.447 7.525 10.578 1.00 0.00 H new ATOM 0 HA GLN A 16 10.144 5.517 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.476 6.618 10.717 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.734 5.414 11.752 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.903 4.354 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.065 5.012 10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.875 2.866 10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.108 1.693 11.597 1.00 0.00 H new ATOM 206 N GLU A 17 7.805 4.679 10.810 1.00 0.00 N ATOM 207 CA GLU A 17 6.865 3.633 11.175 1.00 0.00 C ATOM 208 C GLU A 17 5.974 3.280 9.983 1.00 0.00 C ATOM 209 O GLU A 17 5.989 2.146 9.507 1.00 0.00 O ATOM 210 CB GLU A 17 6.024 4.049 12.384 1.00 0.00 C ATOM 211 CG GLU A 17 6.634 3.520 13.684 1.00 0.00 C ATOM 212 CD GLU A 17 5.573 3.407 14.781 1.00 0.00 C ATOM 213 OE1 GLU A 17 4.512 2.816 14.485 1.00 0.00 O ATOM 214 OE2 GLU A 17 5.847 3.913 15.890 1.00 0.00 O ATOM 0 H GLU A 17 7.542 5.615 11.119 1.00 0.00 H new ATOM 0 HA GLU A 17 7.431 2.745 11.456 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.954 5.136 12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.008 3.669 12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.085 2.544 13.507 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.432 4.185 14.012 1.00 0.00 H new ATOM 221 N GLN A 18 5.219 4.273 9.535 1.00 0.00 N ATOM 222 CA GLN A 18 4.323 4.081 8.407 1.00 0.00 C ATOM 223 C GLN A 18 5.039 3.330 7.282 1.00 0.00 C ATOM 224 O GLN A 18 4.561 2.295 6.820 1.00 0.00 O ATOM 225 CB GLN A 18 3.774 5.419 7.909 1.00 0.00 C ATOM 226 CG GLN A 18 2.764 6.000 8.901 1.00 0.00 C ATOM 227 CD GLN A 18 1.515 5.121 8.990 1.00 0.00 C ATOM 228 OE1 GLN A 18 1.520 4.048 9.571 1.00 0.00 O ATOM 229 NE2 GLN A 18 0.449 5.633 8.382 1.00 0.00 N ATOM 0 H GLN A 18 5.209 5.212 9.933 1.00 0.00 H new ATOM 0 HA GLN A 18 3.477 3.479 8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.594 6.122 7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.298 5.282 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.224 6.085 9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.483 7.007 8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.514 6.537 7.914 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.434 5.122 8.384 1.00 0.00 H new ATOM 238 N THR A 19 6.173 3.880 6.874 1.00 0.00 N ATOM 239 CA THR A 19 6.959 3.275 5.812 1.00 0.00 C ATOM 240 C THR A 19 7.060 1.763 6.019 1.00 0.00 C ATOM 241 O THR A 19 6.714 0.986 5.130 1.00 0.00 O ATOM 242 CB THR A 19 8.319 3.975 5.773 1.00 0.00 C ATOM 243 OG1 THR A 19 8.029 5.269 5.252 1.00 0.00 O ATOM 244 CG2 THR A 19 9.265 3.360 4.739 1.00 0.00 C ATOM 0 H THR A 19 6.567 4.738 7.260 1.00 0.00 H new ATOM 0 HA THR A 19 6.481 3.408 4.841 1.00 0.00 H new ATOM 0 HB THR A 19 8.780 3.928 6.760 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.856 5.791 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.215 3.894 4.752 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.435 2.311 4.980 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.820 3.437 3.747 1.00 0.00 H new ATOM 252 N GLU A 20 7.536 1.389 7.198 1.00 0.00 N ATOM 253 CA GLU A 20 7.687 -0.017 7.533 1.00 0.00 C ATOM 254 C GLU A 20 6.444 -0.800 7.108 1.00 0.00 C ATOM 255 O GLU A 20 6.533 -1.723 6.299 1.00 0.00 O ATOM 256 CB GLU A 20 7.965 -0.198 9.027 1.00 0.00 C ATOM 257 CG GLU A 20 9.288 -0.932 9.253 1.00 0.00 C ATOM 258 CD GLU A 20 9.313 -1.605 10.627 1.00 0.00 C ATOM 259 OE1 GLU A 20 9.300 -0.854 11.627 1.00 0.00 O ATOM 260 OE2 GLU A 20 9.345 -2.854 10.647 1.00 0.00 O ATOM 0 H GLU A 20 7.822 2.036 7.933 1.00 0.00 H new ATOM 0 HA GLU A 20 8.545 -0.410 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.997 0.776 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.151 -0.758 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.430 -1.681 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.117 -0.228 9.173 1.00 0.00 H new ATOM 267 N LYS A 21 5.312 -0.404 7.671 1.00 0.00 N ATOM 268 CA LYS A 21 4.052 -1.057 7.360 1.00 0.00 C ATOM 269 C LYS A 21 3.956 -1.278 5.850 1.00 0.00 C ATOM 270 O LYS A 21 3.567 -2.354 5.399 1.00 0.00 O ATOM 271 CB LYS A 21 2.880 -0.264 7.942 1.00 0.00 C ATOM 272 CG LYS A 21 2.212 -1.032 9.085 1.00 0.00 C ATOM 273 CD LYS A 21 0.754 -0.601 9.256 1.00 0.00 C ATOM 274 CE LYS A 21 0.029 -1.504 10.256 1.00 0.00 C ATOM 275 NZ LYS A 21 -1.087 -2.218 9.595 1.00 0.00 N ATOM 0 H LYS A 21 5.241 0.362 8.341 1.00 0.00 H new ATOM 0 HA LYS A 21 4.006 -2.040 7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.234 0.701 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.149 -0.061 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.257 -2.102 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.758 -0.858 10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.715 0.433 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.245 -0.637 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.729 -2.224 10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.353 -0.907 11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.568 -2.826 10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.763 -1.527 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.714 -2.803 8.820 1.00 0.00 H new ATOM 289 N LEU A 22 4.317 -0.241 5.108 1.00 0.00 N ATOM 290 CA LEU A 22 4.276 -0.308 3.657 1.00 0.00 C ATOM 291 C LEU A 22 5.107 -1.501 3.183 1.00 0.00 C ATOM 292 O LEU A 22 4.591 -2.396 2.516 1.00 0.00 O ATOM 293 CB LEU A 22 4.711 1.026 3.047 1.00 0.00 C ATOM 294 CG LEU A 22 3.688 1.714 2.141 1.00 0.00 C ATOM 295 CD1 LEU A 22 4.275 2.981 1.514 1.00 0.00 C ATOM 296 CD2 LEU A 22 3.154 0.746 1.083 1.00 0.00 C ATOM 0 H LEU A 22 4.639 0.650 5.485 1.00 0.00 H new ATOM 0 HA LEU A 22 3.255 -0.472 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.965 1.708 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.622 0.860 2.472 1.00 0.00 H new ATOM 0 HG LEU A 22 2.841 2.021 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.527 3.451 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.567 3.675 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.150 2.720 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.429 1.260 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.980 0.387 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.673 -0.100 1.574 1.00 0.00 H new ATOM 308 N LEU A 23 6.382 -1.476 3.545 1.00 0.00 N ATOM 309 CA LEU A 23 7.289 -2.545 3.165 1.00 0.00 C ATOM 310 C LEU A 23 6.570 -3.889 3.294 1.00 0.00 C ATOM 311 O LEU A 23 6.588 -4.698 2.367 1.00 0.00 O ATOM 312 CB LEU A 23 8.585 -2.460 3.974 1.00 0.00 C ATOM 313 CG LEU A 23 9.121 -1.052 4.237 1.00 0.00 C ATOM 314 CD1 LEU A 23 10.547 -1.102 4.790 1.00 0.00 C ATOM 315 CD2 LEU A 23 9.024 -0.184 2.980 1.00 0.00 C ATOM 0 H LEU A 23 6.808 -0.732 4.098 1.00 0.00 H new ATOM 0 HA LEU A 23 7.584 -2.441 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.423 -2.951 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.354 -3.028 3.451 1.00 0.00 H new ATOM 0 HG LEU A 23 8.496 -0.586 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.904 -0.088 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.555 -1.659 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.200 -1.595 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.412 0.812 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.609 -0.636 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.982 -0.108 2.670 1.00 0.00 H new ATOM 327 N GLN A 24 5.954 -4.086 4.450 1.00 0.00 N ATOM 328 CA GLN A 24 5.231 -5.318 4.713 1.00 0.00 C ATOM 329 C GLN A 24 4.243 -5.604 3.580 1.00 0.00 C ATOM 330 O GLN A 24 4.411 -6.567 2.833 1.00 0.00 O ATOM 331 CB GLN A 24 4.514 -5.256 6.063 1.00 0.00 C ATOM 332 CG GLN A 24 5.300 -6.012 7.136 1.00 0.00 C ATOM 333 CD GLN A 24 4.531 -7.246 7.612 1.00 0.00 C ATOM 334 OE1 GLN A 24 3.312 -7.269 7.660 1.00 0.00 O ATOM 335 NE2 GLN A 24 5.308 -8.267 7.961 1.00 0.00 N ATOM 0 H GLN A 24 5.941 -3.412 5.216 1.00 0.00 H new ATOM 0 HA GLN A 24 5.950 -6.136 4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.388 -4.216 6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.516 -5.684 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.268 -6.314 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.495 -5.352 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.322 -8.181 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.890 -9.136 8.293 1.00 0.00 H new ATOM 344 N PHE A 25 3.233 -4.751 3.488 1.00 0.00 N ATOM 345 CA PHE A 25 2.218 -4.900 2.459 1.00 0.00 C ATOM 346 C PHE A 25 2.857 -5.133 1.088 1.00 0.00 C ATOM 347 O PHE A 25 2.512 -6.087 0.392 1.00 0.00 O ATOM 348 CB PHE A 25 1.423 -3.594 2.422 1.00 0.00 C ATOM 349 CG PHE A 25 0.177 -3.649 1.536 1.00 0.00 C ATOM 350 CD1 PHE A 25 -0.813 -4.540 1.808 1.00 0.00 C ATOM 351 CD2 PHE A 25 0.059 -2.805 0.475 1.00 0.00 C ATOM 352 CE1 PHE A 25 -1.969 -4.591 0.986 1.00 0.00 C ATOM 353 CE2 PHE A 25 -1.097 -2.856 -0.347 1.00 0.00 C ATOM 354 CZ PHE A 25 -2.087 -3.748 -0.075 1.00 0.00 C ATOM 0 H PHE A 25 3.096 -3.954 4.110 1.00 0.00 H new ATOM 0 HA PHE A 25 1.583 -5.757 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.123 -3.334 3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.074 -2.795 2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.720 -5.210 2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.845 -2.096 0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.755 -5.299 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.191 -2.186 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.966 -3.787 -0.701 1.00 0.00 H new ATOM 364 N GLN A 26 3.777 -4.245 0.741 1.00 0.00 N ATOM 365 CA GLN A 26 4.467 -4.341 -0.534 1.00 0.00 C ATOM 366 C GLN A 26 5.097 -5.726 -0.693 1.00 0.00 C ATOM 367 O GLN A 26 5.049 -6.314 -1.772 1.00 0.00 O ATOM 368 CB GLN A 26 5.521 -3.240 -0.672 1.00 0.00 C ATOM 369 CG GLN A 26 6.601 -3.638 -1.680 1.00 0.00 C ATOM 370 CD GLN A 26 7.370 -2.411 -2.172 1.00 0.00 C ATOM 371 OE1 GLN A 26 8.247 -1.887 -1.504 1.00 0.00 O ATOM 372 NE2 GLN A 26 6.995 -1.982 -3.374 1.00 0.00 N ATOM 0 H GLN A 26 4.061 -3.455 1.321 1.00 0.00 H new ATOM 0 HA GLN A 26 3.737 -4.201 -1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.044 -2.313 -0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.978 -3.045 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.292 -4.344 -1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.143 -4.148 -2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.254 -2.467 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.449 -1.168 -3.790 1.00 0.00 H new ATOM 381 N ASP A 27 5.674 -6.208 0.399 1.00 0.00 N ATOM 382 CA ASP A 27 6.313 -7.513 0.394 1.00 0.00 C ATOM 383 C ASP A 27 5.240 -8.601 0.327 1.00 0.00 C ATOM 384 O ASP A 27 5.434 -9.630 -0.317 1.00 0.00 O ATOM 385 CB ASP A 27 7.129 -7.731 1.670 1.00 0.00 C ATOM 386 CG ASP A 27 8.478 -8.423 1.464 1.00 0.00 C ATOM 387 OD1 ASP A 27 8.473 -9.672 1.416 1.00 0.00 O ATOM 388 OD2 ASP A 27 9.483 -7.687 1.360 1.00 0.00 O ATOM 0 H ASP A 27 5.712 -5.718 1.293 1.00 0.00 H new ATOM 0 HA ASP A 27 6.975 -7.561 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.302 -6.764 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.536 -8.324 2.366 1.00 0.00 H new ATOM 393 N LEU A 28 4.131 -8.336 1.003 1.00 0.00 N ATOM 394 CA LEU A 28 3.027 -9.280 1.028 1.00 0.00 C ATOM 395 C LEU A 28 2.374 -9.332 -0.355 1.00 0.00 C ATOM 396 O LEU A 28 2.392 -10.370 -1.015 1.00 0.00 O ATOM 397 CB LEU A 28 2.052 -8.935 2.156 1.00 0.00 C ATOM 398 CG LEU A 28 2.551 -9.199 3.578 1.00 0.00 C ATOM 399 CD1 LEU A 28 2.112 -8.083 4.529 1.00 0.00 C ATOM 400 CD2 LEU A 28 2.105 -10.578 4.068 1.00 0.00 C ATOM 0 H LEU A 28 3.974 -7.481 1.537 1.00 0.00 H new ATOM 0 HA LEU A 28 3.390 -10.284 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.791 -7.880 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.134 -9.503 2.003 1.00 0.00 H new ATOM 0 HG LEU A 28 3.641 -9.199 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.480 -8.295 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.520 -7.132 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.024 -8.026 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.473 -10.741 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.016 -10.631 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.508 -11.346 3.408 1.00 0.00 H new ATOM 412 N THR A 29 1.812 -8.200 -0.752 1.00 0.00 N ATOM 413 CA THR A 29 1.154 -8.103 -2.044 1.00 0.00 C ATOM 414 C THR A 29 2.161 -8.331 -3.173 1.00 0.00 C ATOM 415 O THR A 29 2.140 -9.373 -3.827 1.00 0.00 O ATOM 416 CB THR A 29 0.456 -6.744 -2.118 1.00 0.00 C ATOM 417 OG1 THR A 29 1.470 -5.812 -1.754 1.00 0.00 O ATOM 418 CG2 THR A 29 -0.613 -6.575 -1.036 1.00 0.00 C ATOM 0 H THR A 29 1.799 -7.341 -0.201 1.00 0.00 H new ATOM 0 HA THR A 29 0.398 -8.880 -2.163 1.00 0.00 H new ATOM 0 HB THR A 29 -0.000 -6.624 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.415 -5.627 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.077 -5.594 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.372 -7.349 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.152 -6.662 -0.052 1.00 0.00 H new ATOM 426 N GLY A 30 3.019 -7.340 -3.367 1.00 0.00 N ATOM 427 CA GLY A 30 4.032 -7.420 -4.405 1.00 0.00 C ATOM 428 C GLY A 30 3.791 -6.366 -5.488 1.00 0.00 C ATOM 429 O GLY A 30 4.343 -6.459 -6.583 1.00 0.00 O ATOM 0 H GLY A 30 3.033 -6.477 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.020 -7.277 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.023 -8.414 -4.852 1.00 0.00 H new ATOM 433 N ILE A 31 2.965 -5.389 -5.144 1.00 0.00 N ATOM 434 CA ILE A 31 2.644 -4.319 -6.073 1.00 0.00 C ATOM 435 C ILE A 31 3.883 -3.447 -6.288 1.00 0.00 C ATOM 436 O ILE A 31 4.489 -2.975 -5.326 1.00 0.00 O ATOM 437 CB ILE A 31 1.419 -3.539 -5.590 1.00 0.00 C ATOM 438 CG1 ILE A 31 0.228 -4.473 -5.369 1.00 0.00 C ATOM 439 CG2 ILE A 31 1.082 -2.397 -6.551 1.00 0.00 C ATOM 440 CD1 ILE A 31 -0.716 -3.914 -4.302 1.00 0.00 C ATOM 0 H ILE A 31 2.508 -5.316 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 31 2.369 -4.728 -7.045 1.00 0.00 H new ATOM 0 HB ILE A 31 1.658 -3.088 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.314 -4.606 -6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.584 -5.457 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.208 -1.859 -6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.929 -1.713 -6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.869 -2.804 -7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.554 -4.597 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.178 -3.806 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.090 -2.941 -4.620 1.00 0.00 H new ATOM 452 N GLU A 32 4.223 -3.258 -7.554 1.00 0.00 N ATOM 453 CA GLU A 32 5.378 -2.451 -7.907 1.00 0.00 C ATOM 454 C GLU A 32 5.108 -0.976 -7.603 1.00 0.00 C ATOM 455 O GLU A 32 5.899 -0.323 -6.924 1.00 0.00 O ATOM 456 CB GLU A 32 5.757 -2.647 -9.376 1.00 0.00 C ATOM 457 CG GLU A 32 7.263 -2.865 -9.530 1.00 0.00 C ATOM 458 CD GLU A 32 7.876 -1.820 -10.464 1.00 0.00 C ATOM 459 OE1 GLU A 32 7.597 -1.912 -11.680 1.00 0.00 O ATOM 460 OE2 GLU A 32 8.609 -0.953 -9.942 1.00 0.00 O ATOM 0 H GLU A 32 3.718 -3.650 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 32 6.223 -2.778 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.219 -3.503 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.451 -1.775 -9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.744 -2.811 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.451 -3.864 -9.923 1.00 0.00 H new ATOM 467 N SER A 33 3.988 -0.493 -8.121 1.00 0.00 N ATOM 468 CA SER A 33 3.604 0.893 -7.913 1.00 0.00 C ATOM 469 C SER A 33 3.357 1.150 -6.425 1.00 0.00 C ATOM 470 O SER A 33 2.412 0.615 -5.847 1.00 0.00 O ATOM 471 CB SER A 33 2.357 1.246 -8.726 1.00 0.00 C ATOM 472 OG SER A 33 2.686 1.883 -9.958 1.00 0.00 O ATOM 0 H SER A 33 3.334 -1.037 -8.684 1.00 0.00 H new ATOM 0 HA SER A 33 4.420 1.529 -8.255 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.787 0.339 -8.928 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.715 1.902 -8.139 1.00 0.00 H new ATOM 0 HG SER A 33 1.864 2.091 -10.449 1.00 0.00 H new ATOM 478 N MET A 34 4.224 1.969 -5.847 1.00 0.00 N ATOM 479 CA MET A 34 4.112 2.304 -4.438 1.00 0.00 C ATOM 480 C MET A 34 2.757 2.946 -4.133 1.00 0.00 C ATOM 481 O MET A 34 2.072 2.542 -3.194 1.00 0.00 O ATOM 482 CB MET A 34 5.234 3.271 -4.052 1.00 0.00 C ATOM 483 CG MET A 34 5.469 3.262 -2.540 1.00 0.00 C ATOM 484 SD MET A 34 7.150 2.775 -2.187 1.00 0.00 S ATOM 485 CE MET A 34 6.856 1.531 -0.941 1.00 0.00 C ATOM 0 H MET A 34 5.007 2.410 -6.329 1.00 0.00 H new ATOM 0 HA MET A 34 4.196 1.385 -3.858 1.00 0.00 H new ATOM 0 HB2 MET A 34 6.153 2.992 -4.568 1.00 0.00 H new ATOM 0 HB3 MET A 34 4.978 4.279 -4.378 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.274 4.252 -2.127 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.774 2.574 -2.060 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.128 1.925 0.038 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.801 1.257 -0.942 1.00 0.00 H new ATOM 0 HE3 MET A 34 7.460 0.650 -1.157 1.00 0.00 H new ATOM 495 N ASP A 35 2.411 3.935 -4.943 1.00 0.00 N ATOM 496 CA ASP A 35 1.150 4.637 -4.771 1.00 0.00 C ATOM 497 C ASP A 35 0.015 3.617 -4.662 1.00 0.00 C ATOM 498 O ASP A 35 -0.881 3.766 -3.832 1.00 0.00 O ATOM 499 CB ASP A 35 0.857 5.544 -5.968 1.00 0.00 C ATOM 500 CG ASP A 35 0.108 6.835 -5.633 1.00 0.00 C ATOM 501 OD1 ASP A 35 -0.129 7.056 -4.425 1.00 0.00 O ATOM 502 OD2 ASP A 35 -0.212 7.571 -6.591 1.00 0.00 O ATOM 0 H ASP A 35 2.982 4.267 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 35 1.222 5.243 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.801 5.803 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.273 4.982 -6.697 1.00 0.00 H new ATOM 507 N GLN A 36 0.089 2.603 -5.512 1.00 0.00 N ATOM 508 CA GLN A 36 -0.922 1.559 -5.521 1.00 0.00 C ATOM 509 C GLN A 36 -0.984 0.869 -4.157 1.00 0.00 C ATOM 510 O GLN A 36 -2.045 0.405 -3.740 1.00 0.00 O ATOM 511 CB GLN A 36 -0.654 0.547 -6.637 1.00 0.00 C ATOM 512 CG GLN A 36 -1.506 0.851 -7.870 1.00 0.00 C ATOM 513 CD GLN A 36 -1.152 -0.086 -9.026 1.00 0.00 C ATOM 514 OE1 GLN A 36 -0.538 0.300 -10.007 1.00 0.00 O ATOM 515 NE2 GLN A 36 -1.571 -1.337 -8.857 1.00 0.00 N ATOM 0 H GLN A 36 0.833 2.482 -6.199 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.891 2.019 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.402 0.569 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.871 -0.460 -6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.562 0.745 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.353 1.886 -8.176 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.080 -1.594 -8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.383 -2.039 -9.573 1.00 0.00 H new ATOM 524 N CYS A 37 0.165 0.822 -3.500 1.00 0.00 N ATOM 525 CA CYS A 37 0.254 0.196 -2.192 1.00 0.00 C ATOM 526 C CYS A 37 -0.367 1.143 -1.163 1.00 0.00 C ATOM 527 O CYS A 37 -1.472 0.900 -0.679 1.00 0.00 O ATOM 528 CB CYS A 37 1.697 -0.166 -1.835 1.00 0.00 C ATOM 529 SG CYS A 37 2.064 -1.877 -2.372 1.00 0.00 S ATOM 0 H CYS A 37 1.043 1.207 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.297 -0.745 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.385 0.530 -2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.849 -0.073 -0.760 1.00 0.00 H new ATOM 0 HG CYS A 37 1.492 -2.718 -1.562 1.00 0.00 H new ATOM 535 N ARG A 38 0.369 2.202 -0.859 1.00 0.00 N ATOM 536 CA ARG A 38 -0.096 3.186 0.103 1.00 0.00 C ATOM 537 C ARG A 38 -1.593 3.444 -0.083 1.00 0.00 C ATOM 538 O ARG A 38 -2.295 3.762 0.875 1.00 0.00 O ATOM 539 CB ARG A 38 0.664 4.505 -0.047 1.00 0.00 C ATOM 540 CG ARG A 38 0.483 5.385 1.191 1.00 0.00 C ATOM 541 CD ARG A 38 1.034 6.792 0.949 1.00 0.00 C ATOM 542 NE ARG A 38 0.092 7.566 0.110 1.00 0.00 N ATOM 543 CZ ARG A 38 0.208 8.879 -0.134 1.00 0.00 C ATOM 544 NH1 ARG A 38 1.225 9.572 0.397 1.00 0.00 N ATOM 545 NH2 ARG A 38 -0.694 9.499 -0.907 1.00 0.00 N ATOM 0 H ARG A 38 1.285 2.400 -1.262 1.00 0.00 H new ATOM 0 HA ARG A 38 0.086 2.786 1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.724 4.303 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.308 5.036 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.575 5.444 1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.993 4.932 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.188 7.300 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.006 6.732 0.459 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.694 7.069 -0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.911 9.100 0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.313 10.571 0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.469 8.972 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.606 10.498 -1.093 1.00 0.00 H new ATOM 559 N HIS A 39 -2.037 3.296 -1.323 1.00 0.00 N ATOM 560 CA HIS A 39 -3.437 3.509 -1.647 1.00 0.00 C ATOM 561 C HIS A 39 -4.301 2.512 -0.872 1.00 0.00 C ATOM 562 O HIS A 39 -5.029 2.895 0.042 1.00 0.00 O ATOM 563 CB HIS A 39 -3.662 3.439 -3.158 1.00 0.00 C ATOM 564 CG HIS A 39 -5.108 3.259 -3.556 1.00 0.00 C ATOM 565 ND1 HIS A 39 -5.921 2.166 -3.488 1.00 0.00 N flip ATOM 566 CD2 HIS A 39 -5.869 4.280 -4.096 1.00 0.00 C flip ATOM 567 CE1 HIS A 39 -7.115 2.502 -3.960 1.00 0.00 C flip ATOM 568 NE2 HIS A 39 -7.085 3.812 -4.338 1.00 0.00 N flip ATOM 0 H HIS A 39 -1.451 3.031 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.736 4.511 -1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.281 4.353 -3.614 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.078 2.613 -3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.530 5.287 -4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.970 1.846 -4.033 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.862 4.339 -4.737 1.00 0.00 H new ATOM 576 N THR A 40 -4.190 1.252 -1.265 1.00 0.00 N ATOM 577 CA THR A 40 -4.952 0.196 -0.619 1.00 0.00 C ATOM 578 C THR A 40 -4.868 0.333 0.902 1.00 0.00 C ATOM 579 O THR A 40 -5.810 -0.013 1.613 1.00 0.00 O ATOM 580 CB THR A 40 -4.434 -1.146 -1.138 1.00 0.00 C ATOM 581 OG1 THR A 40 -5.207 -1.387 -2.311 1.00 0.00 O ATOM 582 CG2 THR A 40 -4.791 -2.310 -0.211 1.00 0.00 C ATOM 0 H THR A 40 -3.584 0.938 -2.023 1.00 0.00 H new ATOM 0 HA THR A 40 -6.012 0.267 -0.862 1.00 0.00 H new ATOM 0 HB THR A 40 -3.352 -1.095 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.935 -2.238 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.400 -3.239 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.353 -2.139 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.875 -2.382 -0.118 1.00 0.00 H new ATOM 590 N LEU A 41 -3.730 0.837 1.357 1.00 0.00 N ATOM 591 CA LEU A 41 -3.510 1.024 2.781 1.00 0.00 C ATOM 592 C LEU A 41 -4.282 2.257 3.255 1.00 0.00 C ATOM 593 O LEU A 41 -5.273 2.135 3.974 1.00 0.00 O ATOM 594 CB LEU A 41 -2.013 1.080 3.090 1.00 0.00 C ATOM 595 CG LEU A 41 -1.301 -0.269 3.206 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.215 -0.101 3.084 1.00 0.00 C ATOM 597 CD2 LEU A 41 -1.696 -0.989 4.496 1.00 0.00 C ATOM 0 H LEU A 41 -2.950 1.122 0.764 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.895 0.171 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.523 1.661 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.875 1.623 4.025 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.623 -0.897 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.697 -1.075 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.456 0.339 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.574 0.553 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.176 -1.945 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.422 -0.375 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.772 -1.161 4.502 1.00 0.00 H new ATOM 609 N GLU A 42 -3.800 3.416 2.832 1.00 0.00 N ATOM 610 CA GLU A 42 -4.433 4.670 3.204 1.00 0.00 C ATOM 611 C GLU A 42 -5.955 4.519 3.197 1.00 0.00 C ATOM 612 O GLU A 42 -6.633 4.995 4.107 1.00 0.00 O ATOM 613 CB GLU A 42 -3.990 5.804 2.276 1.00 0.00 C ATOM 614 CG GLU A 42 -2.823 6.585 2.883 1.00 0.00 C ATOM 615 CD GLU A 42 -3.326 7.651 3.859 1.00 0.00 C ATOM 616 OE1 GLU A 42 -3.596 7.275 5.020 1.00 0.00 O ATOM 617 OE2 GLU A 42 -3.429 8.818 3.421 1.00 0.00 O ATOM 0 H GLU A 42 -2.979 3.513 2.235 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.118 4.928 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.695 5.394 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.827 6.478 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.152 5.900 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.245 7.057 2.089 1.00 0.00 H new ATOM 624 N GLN A 43 -6.448 3.856 2.162 1.00 0.00 N ATOM 625 CA GLN A 43 -7.878 3.636 2.025 1.00 0.00 C ATOM 626 C GLN A 43 -8.455 3.076 3.327 1.00 0.00 C ATOM 627 O GLN A 43 -9.254 3.735 3.990 1.00 0.00 O ATOM 628 CB GLN A 43 -8.180 2.708 0.847 1.00 0.00 C ATOM 629 CG GLN A 43 -8.509 3.511 -0.413 1.00 0.00 C ATOM 630 CD GLN A 43 -9.987 3.371 -0.782 1.00 0.00 C ATOM 631 OE1 GLN A 43 -10.751 2.670 -0.138 1.00 0.00 O ATOM 632 NE2 GLN A 43 -10.347 4.074 -1.852 1.00 0.00 N ATOM 0 H GLN A 43 -5.882 3.463 1.409 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.356 4.594 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.322 2.063 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.018 2.058 1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.269 4.562 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.890 3.166 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.657 4.641 -2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.313 4.046 -2.179 1.00 0.00 H new ATOM 641 N HIS A 44 -8.029 1.865 3.653 1.00 0.00 N ATOM 642 CA HIS A 44 -8.493 1.209 4.863 1.00 0.00 C ATOM 643 C HIS A 44 -7.926 1.929 6.088 1.00 0.00 C ATOM 644 O HIS A 44 -8.327 1.651 7.217 1.00 0.00 O ATOM 645 CB HIS A 44 -8.149 -0.282 4.840 1.00 0.00 C ATOM 646 CG HIS A 44 -9.323 -1.179 4.530 1.00 0.00 C ATOM 647 ND1 HIS A 44 -10.291 -1.497 5.467 1.00 0.00 N ATOM 648 CD2 HIS A 44 -9.675 -1.821 3.379 1.00 0.00 C ATOM 649 CE1 HIS A 44 -11.180 -2.295 4.895 1.00 0.00 C ATOM 650 NE2 HIS A 44 -10.797 -2.496 3.601 1.00 0.00 N ATOM 0 H HIS A 44 -7.367 1.321 3.100 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.580 1.271 4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.369 -0.453 4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -7.735 -0.564 5.808 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -10.316 -1.172 6.434 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.133 -1.786 2.445 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.055 -2.713 5.370 1.00 0.00 H new ATOM 658 N ASN A 45 -7.003 2.841 5.823 1.00 0.00 N ATOM 659 CA ASN A 45 -6.376 3.604 6.890 1.00 0.00 C ATOM 660 C ASN A 45 -5.147 2.847 7.398 1.00 0.00 C ATOM 661 O ASN A 45 -5.075 2.492 8.573 1.00 0.00 O ATOM 662 CB ASN A 45 -7.335 3.794 8.067 1.00 0.00 C ATOM 663 CG ASN A 45 -7.013 5.078 8.834 1.00 0.00 C ATOM 664 OD1 ASN A 45 -6.294 5.947 8.368 1.00 0.00 O ATOM 665 ND2 ASN A 45 -7.584 5.149 10.033 1.00 0.00 N ATOM 0 H ASN A 45 -6.674 3.069 4.885 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.098 4.579 6.490 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.361 3.832 7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.267 2.938 8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.431 5.967 10.623 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.175 4.386 10.362 1.00 0.00 H new ATOM 672 N TRP A 46 -4.212 2.622 6.487 1.00 0.00 N ATOM 673 CA TRP A 46 -2.990 1.914 6.828 1.00 0.00 C ATOM 674 C TRP A 46 -3.370 0.695 7.671 1.00 0.00 C ATOM 675 O TRP A 46 -2.976 0.591 8.832 1.00 0.00 O ATOM 676 CB TRP A 46 -1.997 2.841 7.532 1.00 0.00 C ATOM 677 CG TRP A 46 -1.426 3.939 6.632 1.00 0.00 C ATOM 678 CD1 TRP A 46 -1.971 5.125 6.331 1.00 0.00 C ATOM 679 CD2 TRP A 46 -0.168 3.903 5.925 1.00 0.00 C ATOM 680 NE1 TRP A 46 -1.160 5.854 5.485 1.00 0.00 N ATOM 681 CE2 TRP A 46 -0.029 5.087 5.230 1.00 0.00 C ATOM 682 CE3 TRP A 46 0.819 2.904 5.875 1.00 0.00 C ATOM 683 CZ2 TRP A 46 1.084 5.383 4.435 1.00 0.00 C ATOM 684 CZ3 TRP A 46 1.926 3.214 5.076 1.00 0.00 C ATOM 685 CH2 TRP A 46 2.081 4.402 4.370 1.00 0.00 C ATOM 0 H TRP A 46 -4.276 2.918 5.513 1.00 0.00 H new ATOM 0 HA TRP A 46 -2.480 1.570 5.928 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.491 3.305 8.385 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.175 2.244 7.926 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.925 5.468 6.703 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.355 6.784 5.115 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.731 1.970 6.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.169 6.318 3.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.714 2.479 5.003 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.966 4.567 3.774 1.00 0.00 H new ATOM 696 N ASN A 47 -4.130 -0.198 7.054 1.00 0.00 N ATOM 697 CA ASN A 47 -4.567 -1.406 7.733 1.00 0.00 C ATOM 698 C ASN A 47 -4.262 -2.619 6.853 1.00 0.00 C ATOM 699 O ASN A 47 -5.159 -3.172 6.219 1.00 0.00 O ATOM 700 CB ASN A 47 -6.075 -1.377 7.992 1.00 0.00 C ATOM 701 CG ASN A 47 -6.373 -1.119 9.471 1.00 0.00 C ATOM 702 OD1 ASN A 47 -6.789 -0.044 9.868 1.00 0.00 O ATOM 703 ND2 ASN A 47 -6.137 -2.164 10.260 1.00 0.00 N ATOM 0 H ASN A 47 -4.454 -0.109 6.091 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.039 -1.468 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.537 -0.600 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.518 -2.325 7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.304 -2.093 11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.789 -3.036 9.861 1.00 0.00 H new ATOM 710 N ILE A 48 -2.992 -2.998 6.843 1.00 0.00 N ATOM 711 CA ILE A 48 -2.557 -4.136 6.051 1.00 0.00 C ATOM 712 C ILE A 48 -3.609 -5.244 6.137 1.00 0.00 C ATOM 713 O ILE A 48 -4.055 -5.763 5.115 1.00 0.00 O ATOM 714 CB ILE A 48 -1.158 -4.582 6.478 1.00 0.00 C ATOM 715 CG1 ILE A 48 -0.105 -3.548 6.074 1.00 0.00 C ATOM 716 CG2 ILE A 48 -0.834 -5.973 5.929 1.00 0.00 C ATOM 717 CD1 ILE A 48 1.297 -4.003 6.483 1.00 0.00 C ATOM 0 H ILE A 48 -2.251 -2.537 7.371 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.471 -3.859 5.000 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.140 -4.652 7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.140 -3.391 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.332 -2.591 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.166 -6.266 6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.560 -6.692 6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.877 -5.953 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.026 -3.250 6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.335 -4.136 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.530 -4.948 5.993 1.00 0.00 H new ATOM 729 N GLU A 49 -3.975 -5.574 7.367 1.00 0.00 N ATOM 730 CA GLU A 49 -4.966 -6.611 7.601 1.00 0.00 C ATOM 731 C GLU A 49 -6.165 -6.419 6.669 1.00 0.00 C ATOM 732 O GLU A 49 -6.668 -7.382 6.093 1.00 0.00 O ATOM 733 CB GLU A 49 -5.407 -6.628 9.066 1.00 0.00 C ATOM 734 CG GLU A 49 -4.988 -7.931 9.749 1.00 0.00 C ATOM 735 CD GLU A 49 -6.189 -8.856 9.950 1.00 0.00 C ATOM 736 OE1 GLU A 49 -7.127 -8.754 9.130 1.00 0.00 O ATOM 737 OE2 GLU A 49 -6.143 -9.645 10.918 1.00 0.00 O ATOM 0 H GLU A 49 -3.603 -5.141 8.212 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.511 -7.577 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.968 -5.780 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.489 -6.514 9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.233 -8.435 9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.530 -7.709 10.713 1.00 0.00 H new ATOM 744 N ALA A 50 -6.587 -5.168 6.550 1.00 0.00 N ATOM 745 CA ALA A 50 -7.717 -4.838 5.699 1.00 0.00 C ATOM 746 C ALA A 50 -7.232 -4.672 4.257 1.00 0.00 C ATOM 747 O ALA A 50 -7.701 -5.367 3.357 1.00 0.00 O ATOM 748 CB ALA A 50 -8.406 -3.580 6.231 1.00 0.00 C ATOM 0 H ALA A 50 -6.166 -4.372 7.029 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.453 -5.642 5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.254 -3.332 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.757 -3.760 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.699 -2.751 6.233 1.00 0.00 H new ATOM 754 N ALA A 51 -6.299 -3.748 4.083 1.00 0.00 N ATOM 755 CA ALA A 51 -5.745 -3.482 2.766 1.00 0.00 C ATOM 756 C ALA A 51 -5.508 -4.807 2.040 1.00 0.00 C ATOM 757 O ALA A 51 -5.865 -4.952 0.872 1.00 0.00 O ATOM 758 CB ALA A 51 -4.464 -2.657 2.907 1.00 0.00 C ATOM 0 H ALA A 51 -5.912 -3.174 4.832 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.444 -2.898 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.049 -2.458 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.692 -1.713 3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.737 -3.212 3.501 1.00 0.00 H new ATOM 764 N VAL A 52 -4.907 -5.742 2.762 1.00 0.00 N ATOM 765 CA VAL A 52 -4.618 -7.051 2.202 1.00 0.00 C ATOM 766 C VAL A 52 -5.926 -7.715 1.769 1.00 0.00 C ATOM 767 O VAL A 52 -6.012 -8.271 0.674 1.00 0.00 O ATOM 768 CB VAL A 52 -3.827 -7.888 3.209 1.00 0.00 C ATOM 769 CG1 VAL A 52 -3.902 -9.377 2.863 1.00 0.00 C ATOM 770 CG2 VAL A 52 -2.373 -7.417 3.291 1.00 0.00 C ATOM 0 H VAL A 52 -4.612 -5.618 3.731 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.992 -6.957 1.315 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.280 -7.749 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.331 -9.950 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.942 -9.702 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.486 -9.541 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.833 -8.028 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.904 -7.513 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.346 -6.374 3.606 1.00 0.00 H new ATOM 780 N GLN A 53 -6.913 -7.637 2.650 1.00 0.00 N ATOM 781 CA GLN A 53 -8.212 -8.224 2.372 1.00 0.00 C ATOM 782 C GLN A 53 -8.892 -7.487 1.216 1.00 0.00 C ATOM 783 O GLN A 53 -9.112 -8.063 0.152 1.00 0.00 O ATOM 784 CB GLN A 53 -9.095 -8.217 3.622 1.00 0.00 C ATOM 785 CG GLN A 53 -8.890 -9.490 4.445 1.00 0.00 C ATOM 786 CD GLN A 53 -10.055 -10.463 4.251 1.00 0.00 C ATOM 787 OE1 GLN A 53 -11.159 -10.252 4.724 1.00 0.00 O ATOM 788 NE2 GLN A 53 -9.747 -11.537 3.530 1.00 0.00 N ATOM 0 H GLN A 53 -6.839 -7.176 3.557 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.064 -9.263 2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.862 -7.344 4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.142 -8.132 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.957 -9.971 4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.798 -9.234 5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.802 -11.651 3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.456 -12.246 3.343 1.00 0.00 H new ATOM 797 N ASP A 54 -9.206 -6.224 1.465 1.00 0.00 N ATOM 798 CA ASP A 54 -9.856 -5.402 0.458 1.00 0.00 C ATOM 799 C ASP A 54 -9.148 -5.594 -0.885 1.00 0.00 C ATOM 800 O ASP A 54 -9.752 -5.410 -1.940 1.00 0.00 O ATOM 801 CB ASP A 54 -9.780 -3.919 0.825 1.00 0.00 C ATOM 802 CG ASP A 54 -10.679 -3.001 -0.005 1.00 0.00 C ATOM 803 OD1 ASP A 54 -11.839 -3.404 -0.241 1.00 0.00 O ATOM 804 OD2 ASP A 54 -10.187 -1.916 -0.384 1.00 0.00 O ATOM 0 H ASP A 54 -9.022 -5.750 2.349 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.901 -5.705 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.043 -3.806 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.748 -3.586 0.717 1.00 0.00 H new ATOM 809 N ARG A 55 -7.878 -5.960 -0.801 1.00 0.00 N ATOM 810 CA ARG A 55 -7.082 -6.179 -1.997 1.00 0.00 C ATOM 811 C ARG A 55 -7.416 -7.537 -2.617 1.00 0.00 C ATOM 812 O ARG A 55 -7.843 -7.610 -3.768 1.00 0.00 O ATOM 813 CB ARG A 55 -5.586 -6.125 -1.680 1.00 0.00 C ATOM 814 CG ARG A 55 -4.756 -6.624 -2.865 1.00 0.00 C ATOM 815 CD ARG A 55 -3.886 -5.502 -3.436 1.00 0.00 C ATOM 816 NE ARG A 55 -2.631 -6.064 -3.983 1.00 0.00 N ATOM 817 CZ ARG A 55 -2.516 -6.593 -5.209 1.00 0.00 C ATOM 818 NH1 ARG A 55 -3.579 -6.635 -6.023 1.00 0.00 N ATOM 819 NH2 ARG A 55 -1.337 -7.079 -5.621 1.00 0.00 N ATOM 0 H ARG A 55 -7.380 -6.111 0.076 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.321 -5.385 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.299 -5.102 -1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.375 -6.734 -0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.124 -7.453 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.418 -7.007 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.429 -4.972 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.659 -4.774 -2.657 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.801 -6.048 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.476 -6.264 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.491 -7.038 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.527 -7.046 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.249 -7.482 -6.554 1.00 0.00 H new ATOM 833 N LEU A 56 -7.210 -8.580 -1.825 1.00 0.00 N ATOM 834 CA LEU A 56 -7.485 -9.931 -2.282 1.00 0.00 C ATOM 835 C LEU A 56 -8.990 -10.095 -2.503 1.00 0.00 C ATOM 836 O LEU A 56 -9.428 -10.409 -3.609 1.00 0.00 O ATOM 837 CB LEU A 56 -6.891 -10.955 -1.312 1.00 0.00 C ATOM 838 CG LEU A 56 -5.402 -11.261 -1.488 1.00 0.00 C ATOM 839 CD1 LEU A 56 -4.606 -10.831 -0.254 1.00 0.00 C ATOM 840 CD2 LEU A 56 -5.181 -12.736 -1.828 1.00 0.00 C ATOM 0 H LEU A 56 -6.856 -8.516 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.000 -10.115 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.050 -10.597 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.447 -11.887 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.030 -10.678 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.551 -11.059 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.727 -9.759 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.973 -11.368 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.114 -12.926 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.572 -13.358 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.699 -12.977 -2.756 1.00 0.00 H new ATOM 852 N ASN A 57 -9.740 -9.874 -1.434 1.00 0.00 N ATOM 853 CA ASN A 57 -11.187 -9.992 -1.497 1.00 0.00 C ATOM 854 C ASN A 57 -11.685 -9.407 -2.820 1.00 0.00 C ATOM 855 O ASN A 57 -12.238 -10.125 -3.652 1.00 0.00 O ATOM 856 CB ASN A 57 -11.854 -9.219 -0.358 1.00 0.00 C ATOM 857 CG ASN A 57 -11.959 -10.081 0.902 1.00 0.00 C ATOM 858 OD1 ASN A 57 -12.141 -11.286 0.847 1.00 0.00 O ATOM 859 ND2 ASN A 57 -11.833 -9.399 2.036 1.00 0.00 N ATOM 0 H ASN A 57 -9.373 -9.614 -0.519 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.442 -11.048 -1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.280 -8.318 -0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.849 -8.896 -0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.887 -9.884 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.682 -8.391 2.011 1.00 0.00 H new ATOM 866 N GLU A 58 -11.471 -8.108 -2.974 1.00 0.00 N ATOM 867 CA GLU A 58 -11.891 -7.418 -4.182 1.00 0.00 C ATOM 868 C GLU A 58 -11.000 -7.819 -5.359 1.00 0.00 C ATOM 869 O GLU A 58 -9.853 -7.383 -5.451 1.00 0.00 O ATOM 870 CB GLU A 58 -11.881 -5.902 -3.978 1.00 0.00 C ATOM 871 CG GLU A 58 -13.212 -5.282 -4.409 1.00 0.00 C ATOM 872 CD GLU A 58 -13.102 -3.759 -4.507 1.00 0.00 C ATOM 873 OE1 GLU A 58 -12.091 -3.299 -5.080 1.00 0.00 O ATOM 874 OE2 GLU A 58 -14.031 -3.090 -4.006 1.00 0.00 O ATOM 0 H GLU A 58 -11.012 -7.515 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.915 -7.714 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.692 -5.674 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.067 -5.460 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.512 -5.691 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.990 -5.549 -3.694 1.00 0.00 H new ATOM 881 N GLN A 59 -11.561 -8.644 -6.230 1.00 0.00 N ATOM 882 CA GLN A 59 -10.831 -9.109 -7.398 1.00 0.00 C ATOM 883 C GLN A 59 -9.706 -10.056 -6.979 1.00 0.00 C ATOM 884 O GLN A 59 -8.901 -9.724 -6.110 1.00 0.00 O ATOM 885 CB GLN A 59 -10.284 -7.931 -8.207 1.00 0.00 C ATOM 886 CG GLN A 59 -10.439 -8.178 -9.709 1.00 0.00 C ATOM 887 CD GLN A 59 -9.684 -7.122 -10.519 1.00 0.00 C ATOM 888 OE1 GLN A 59 -8.477 -7.177 -10.686 1.00 0.00 O ATOM 889 NE2 GLN A 59 -10.460 -6.161 -11.011 1.00 0.00 N ATOM 0 H GLN A 59 -12.513 -9.003 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.521 -9.658 -8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.811 -7.018 -7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.232 -7.778 -7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.063 -9.170 -9.959 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.495 -8.160 -9.977 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.464 -6.175 -10.833 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.051 -5.409 -11.566 1.00 0.00 H new ATOM 898 N GLU A 60 -9.685 -11.218 -7.616 1.00 0.00 N ATOM 899 CA GLU A 60 -8.671 -12.216 -7.320 1.00 0.00 C ATOM 900 C GLU A 60 -8.380 -13.061 -8.561 1.00 0.00 C ATOM 901 O GLU A 60 -9.296 -13.604 -9.176 1.00 0.00 O ATOM 902 CB GLU A 60 -9.096 -13.097 -6.144 1.00 0.00 C ATOM 903 CG GLU A 60 -8.153 -12.915 -4.953 1.00 0.00 C ATOM 904 CD GLU A 60 -8.700 -13.616 -3.708 1.00 0.00 C ATOM 905 OE1 GLU A 60 -8.749 -14.865 -3.735 1.00 0.00 O ATOM 906 OE2 GLU A 60 -9.057 -12.888 -2.757 1.00 0.00 O ATOM 0 H GLU A 60 -10.354 -11.491 -8.336 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.755 -11.701 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.115 -12.847 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.101 -14.143 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.170 -13.317 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.021 -11.853 -4.748 1.00 0.00 H new ATOM 913 N GLY A 61 -7.100 -13.146 -8.893 1.00 0.00 N ATOM 914 CA GLY A 61 -6.676 -13.916 -10.050 1.00 0.00 C ATOM 915 C GLY A 61 -6.463 -15.386 -9.682 1.00 0.00 C ATOM 916 O GLY A 61 -5.336 -15.878 -9.706 1.00 0.00 O ATOM 0 H GLY A 61 -6.343 -12.694 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.426 -13.839 -10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.751 -13.500 -10.449 1.00 0.00 H new ATOM 920 N SER A 62 -7.563 -16.046 -9.351 1.00 0.00 N ATOM 921 CA SER A 62 -7.510 -17.449 -8.979 1.00 0.00 C ATOM 922 C SER A 62 -8.905 -18.070 -9.080 1.00 0.00 C ATOM 923 O SER A 62 -9.907 -17.357 -9.080 1.00 0.00 O ATOM 924 CB SER A 62 -6.953 -17.624 -7.565 1.00 0.00 C ATOM 925 OG SER A 62 -5.560 -17.921 -7.573 1.00 0.00 O ATOM 0 H SER A 62 -8.496 -15.635 -9.333 1.00 0.00 H new ATOM 0 HA SER A 62 -6.840 -17.960 -9.670 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.126 -16.713 -6.992 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.492 -18.426 -7.060 1.00 0.00 H new ATOM 0 HG SER A 62 -5.108 -17.353 -8.232 1.00 0.00 H new ATOM 931 N GLY A 63 -8.925 -19.392 -9.164 1.00 0.00 N ATOM 932 CA GLY A 63 -10.180 -20.117 -9.265 1.00 0.00 C ATOM 933 C GLY A 63 -11.137 -19.716 -8.140 1.00 0.00 C ATOM 934 O GLY A 63 -10.752 -18.996 -7.220 1.00 0.00 O ATOM 0 H GLY A 63 -8.092 -19.980 -9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.644 -19.916 -10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.989 -21.189 -9.220 1.00 0.00 H new ATOM 938 N PRO A 64 -12.398 -20.214 -8.254 1.00 0.00 N ATOM 939 CA PRO A 64 -13.412 -19.916 -7.257 1.00 0.00 C ATOM 940 C PRO A 64 -13.174 -20.717 -5.976 1.00 0.00 C ATOM 941 O PRO A 64 -12.926 -21.920 -6.029 1.00 0.00 O ATOM 942 CB PRO A 64 -14.734 -20.249 -7.930 1.00 0.00 C ATOM 943 CG PRO A 64 -14.389 -21.155 -9.100 1.00 0.00 C ATOM 944 CD PRO A 64 -12.889 -21.070 -9.329 1.00 0.00 C ATOM 0 HA PRO A 64 -13.394 -18.874 -6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.411 -20.748 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.237 -19.344 -8.272 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.685 -22.182 -8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.930 -20.846 -9.994 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.426 -22.056 -9.292 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.661 -20.647 -10.307 1.00 0.00 H new ATOM 952 N SER A 65 -13.258 -20.016 -4.854 1.00 0.00 N ATOM 953 CA SER A 65 -13.055 -20.647 -3.561 1.00 0.00 C ATOM 954 C SER A 65 -14.390 -20.774 -2.825 1.00 0.00 C ATOM 955 O SER A 65 -15.153 -19.812 -2.746 1.00 0.00 O ATOM 956 CB SER A 65 -12.055 -19.858 -2.714 1.00 0.00 C ATOM 957 OG SER A 65 -11.827 -20.470 -1.447 1.00 0.00 O ATOM 0 H SER A 65 -13.464 -19.018 -4.814 1.00 0.00 H new ATOM 0 HA SER A 65 -12.643 -21.642 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.110 -19.775 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.427 -18.844 -2.565 1.00 0.00 H new ATOM 0 HG SER A 65 -11.182 -19.937 -0.938 1.00 0.00 H new ATOM 963 N SER A 66 -14.632 -21.968 -2.305 1.00 0.00 N ATOM 964 CA SER A 66 -15.862 -22.233 -1.578 1.00 0.00 C ATOM 965 C SER A 66 -15.585 -22.258 -0.073 1.00 0.00 C ATOM 966 O SER A 66 -14.562 -22.781 0.365 1.00 0.00 O ATOM 967 CB SER A 66 -16.492 -23.554 -2.024 1.00 0.00 C ATOM 968 OG SER A 66 -15.703 -24.677 -1.641 1.00 0.00 O ATOM 0 H SER A 66 -13.997 -22.763 -2.373 1.00 0.00 H new ATOM 0 HA SER A 66 -16.569 -21.433 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.488 -23.646 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.615 -23.550 -3.107 1.00 0.00 H new ATOM 0 HG SER A 66 -16.139 -25.501 -1.942 1.00 0.00 H new ATOM 974 N GLY A 67 -16.516 -21.685 0.677 1.00 0.00 N ATOM 975 CA GLY A 67 -16.385 -21.636 2.123 1.00 0.00 C ATOM 976 C GLY A 67 -17.642 -22.178 2.806 1.00 0.00 C ATOM 977 O GLY A 67 -17.670 -23.330 3.237 1.00 0.00 O ATOM 0 H GLY A 67 -17.363 -21.251 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.518 -22.219 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -16.208 -20.609 2.441 1.00 0.00 H new TER 981 GLY A 67