USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 395 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 40 CYS SG : rot -88:sc= -5.26! USER MOD Set 1.2: A 50 MET CE :methyl -133:sc= -4.39! (180deg=-2.77!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.00688 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 23 THR OG1 : rot -89:sc= -0.466 USER MOD Single : A 24 THR OG1 : rot 91:sc= 0.386 USER MOD Single : A 26 THR OG1 : rot -84:sc= 0.767! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0854 X(o=-0.085,f=0) USER MOD Single : A 36 MET CE :methyl 165:sc= -1.47 (180deg=-2.55!) USER MOD Single : A 41 ASN : amide:sc=-5.78e-05 X(o=-5.8e-05,f=-0.091) USER MOD Single : A 42 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.8!) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0159 F(o=-2.1,f=-0.016) USER MOD Single : A 46 MET CE :methyl -168:sc= -0.232 (180deg=-0.555) USER MOD Single : A 49 THR OG1 : rot 89:sc= 0.32 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.450 24.237 7.362 1.00 0.00 N ATOM 2 CA GLY A 1 9.503 23.974 5.934 1.00 0.00 C ATOM 3 C GLY A 1 8.717 22.710 5.580 1.00 0.00 C ATOM 4 O GLY A 1 7.626 22.485 6.103 1.00 0.00 O ATOM 0 H1 GLY A 1 9.273 25.249 7.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.683 23.680 7.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.356 23.970 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.095 24.825 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.541 23.861 5.620 1.00 0.00 H new ATOM 8 N SER A 2 9.302 21.916 4.694 1.00 0.00 N ATOM 9 CA SER A 2 8.670 20.681 4.264 1.00 0.00 C ATOM 10 C SER A 2 7.326 20.984 3.600 1.00 0.00 C ATOM 11 O SER A 2 6.292 21.013 4.267 1.00 0.00 O ATOM 12 CB SER A 2 8.477 19.722 5.441 1.00 0.00 C ATOM 13 OG SER A 2 8.091 18.420 5.011 1.00 0.00 O ATOM 0 H SER A 2 10.207 22.105 4.263 1.00 0.00 H new ATOM 0 HA SER A 2 9.324 20.197 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.404 19.656 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.718 20.122 6.113 1.00 0.00 H new ATOM 0 HG SER A 2 7.979 17.838 5.791 1.00 0.00 H new ATOM 19 N SER A 3 7.383 21.202 2.294 1.00 0.00 N ATOM 20 CA SER A 3 6.182 21.502 1.533 1.00 0.00 C ATOM 21 C SER A 3 5.501 20.203 1.097 1.00 0.00 C ATOM 22 O SER A 3 6.171 19.234 0.744 1.00 0.00 O ATOM 23 CB SER A 3 6.506 22.366 0.312 1.00 0.00 C ATOM 24 OG SER A 3 5.531 23.384 0.106 1.00 0.00 O ATOM 0 H SER A 3 8.242 21.177 1.744 1.00 0.00 H new ATOM 0 HA SER A 3 5.503 22.064 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.487 22.824 0.442 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.564 21.734 -0.574 1.00 0.00 H new ATOM 0 HG SER A 3 5.774 23.915 -0.681 1.00 0.00 H new ATOM 30 N GLY A 4 4.176 20.225 1.137 1.00 0.00 N ATOM 31 CA GLY A 4 3.397 19.061 0.751 1.00 0.00 C ATOM 32 C GLY A 4 2.175 18.895 1.657 1.00 0.00 C ATOM 33 O GLY A 4 1.831 19.801 2.414 1.00 0.00 O ATOM 0 H GLY A 4 3.623 21.030 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.075 19.162 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.019 18.168 0.806 1.00 0.00 H new ATOM 37 N SER A 5 1.554 17.729 1.550 1.00 0.00 N ATOM 38 CA SER A 5 0.378 17.432 2.350 1.00 0.00 C ATOM 39 C SER A 5 -0.759 18.389 1.986 1.00 0.00 C ATOM 40 O SER A 5 -0.961 19.402 2.655 1.00 0.00 O ATOM 41 CB SER A 5 0.691 17.525 3.845 1.00 0.00 C ATOM 42 OG SER A 5 1.102 16.271 4.383 1.00 0.00 O ATOM 0 H SER A 5 1.843 16.979 0.922 1.00 0.00 H new ATOM 0 HA SER A 5 0.067 16.410 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.476 18.263 4.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.192 17.877 4.379 1.00 0.00 H new ATOM 0 HG SER A 5 1.294 16.372 5.339 1.00 0.00 H new ATOM 48 N SER A 6 -1.471 18.035 0.927 1.00 0.00 N ATOM 49 CA SER A 6 -2.582 18.850 0.466 1.00 0.00 C ATOM 50 C SER A 6 -3.742 17.954 0.026 1.00 0.00 C ATOM 51 O SER A 6 -3.786 17.506 -1.119 1.00 0.00 O ATOM 52 CB SER A 6 -2.155 19.765 -0.683 1.00 0.00 C ATOM 53 OG SER A 6 -2.396 21.139 -0.390 1.00 0.00 O ATOM 0 H SER A 6 -1.300 17.195 0.375 1.00 0.00 H new ATOM 0 HA SER A 6 -2.910 19.479 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.094 19.619 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.696 19.487 -1.588 1.00 0.00 H new ATOM 0 HG SER A 6 -2.108 21.690 -1.147 1.00 0.00 H new ATOM 59 N GLY A 7 -4.652 17.718 0.960 1.00 0.00 N ATOM 60 CA GLY A 7 -5.809 16.883 0.683 1.00 0.00 C ATOM 61 C GLY A 7 -5.397 15.422 0.493 1.00 0.00 C ATOM 62 O GLY A 7 -4.328 15.011 0.942 1.00 0.00 O ATOM 0 H GLY A 7 -4.612 18.090 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.522 16.960 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.315 17.242 -0.214 1.00 0.00 H new ATOM 66 N GLY A 8 -6.267 14.677 -0.174 1.00 0.00 N ATOM 67 CA GLY A 8 -6.007 13.270 -0.429 1.00 0.00 C ATOM 68 C GLY A 8 -7.245 12.580 -1.005 1.00 0.00 C ATOM 69 O GLY A 8 -7.912 13.125 -1.884 1.00 0.00 O ATOM 0 H GLY A 8 -7.152 15.021 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.174 13.171 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.709 12.778 0.497 1.00 0.00 H new ATOM 73 N SER A 9 -7.515 11.391 -0.487 1.00 0.00 N ATOM 74 CA SER A 9 -8.661 10.620 -0.939 1.00 0.00 C ATOM 75 C SER A 9 -9.716 10.553 0.168 1.00 0.00 C ATOM 76 O SER A 9 -9.386 10.328 1.332 1.00 0.00 O ATOM 77 CB SER A 9 -8.245 9.210 -1.362 1.00 0.00 C ATOM 78 OG SER A 9 -9.368 8.401 -1.700 1.00 0.00 O ATOM 0 H SER A 9 -6.960 10.942 0.242 1.00 0.00 H new ATOM 0 HA SER A 9 -9.087 11.119 -1.809 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.572 9.272 -2.217 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.689 8.738 -0.552 1.00 0.00 H new ATOM 0 HG SER A 9 -9.061 7.509 -1.966 1.00 0.00 H new ATOM 84 N ALA A 10 -10.963 10.752 -0.233 1.00 0.00 N ATOM 85 CA ALA A 10 -12.067 10.717 0.710 1.00 0.00 C ATOM 86 C ALA A 10 -12.322 9.269 1.137 1.00 0.00 C ATOM 87 O ALA A 10 -12.298 8.956 2.326 1.00 0.00 O ATOM 88 CB ALA A 10 -13.301 11.363 0.076 1.00 0.00 C ATOM 0 H ALA A 10 -11.233 10.938 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.824 11.288 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.130 11.337 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.077 12.398 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.576 10.815 -0.825 1.00 0.00 H new ATOM 94 N ALA A 11 -12.559 8.426 0.143 1.00 0.00 N ATOM 95 CA ALA A 11 -12.817 7.019 0.400 1.00 0.00 C ATOM 96 C ALA A 11 -11.772 6.485 1.382 1.00 0.00 C ATOM 97 O ALA A 11 -10.660 7.005 1.454 1.00 0.00 O ATOM 98 CB ALA A 11 -12.822 6.250 -0.922 1.00 0.00 C ATOM 0 H ALA A 11 -12.578 8.690 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.798 6.886 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.016 5.195 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.601 6.649 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.853 6.358 -1.409 1.00 0.00 H new ATOM 104 N SER A 12 -12.166 5.452 2.112 1.00 0.00 N ATOM 105 CA SER A 12 -11.278 4.841 3.086 1.00 0.00 C ATOM 106 C SER A 12 -11.042 3.372 2.730 1.00 0.00 C ATOM 107 O SER A 12 -9.898 2.930 2.629 1.00 0.00 O ATOM 108 CB SER A 12 -11.847 4.960 4.501 1.00 0.00 C ATOM 109 OG SER A 12 -11.167 5.949 5.269 1.00 0.00 O ATOM 0 H SER A 12 -13.089 5.023 2.048 1.00 0.00 H new ATOM 0 HA SER A 12 -10.326 5.371 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.907 5.209 4.446 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.772 3.996 5.004 1.00 0.00 H new ATOM 0 HG SER A 12 -11.561 5.995 6.165 1.00 0.00 H new ATOM 115 N SER A 13 -12.142 2.656 2.549 1.00 0.00 N ATOM 116 CA SER A 13 -12.069 1.246 2.207 1.00 0.00 C ATOM 117 C SER A 13 -11.043 1.030 1.092 1.00 0.00 C ATOM 118 O SER A 13 -10.090 0.270 1.259 1.00 0.00 O ATOM 119 CB SER A 13 -13.437 0.712 1.779 1.00 0.00 C ATOM 120 OG SER A 13 -13.460 -0.712 1.721 1.00 0.00 O ATOM 0 H SER A 13 -13.089 3.026 2.633 1.00 0.00 H new ATOM 0 HA SER A 13 -11.754 0.695 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.197 1.059 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.695 1.119 0.801 1.00 0.00 H new ATOM 0 HG SER A 13 -14.351 -1.014 1.446 1.00 0.00 H new ATOM 126 N ALA A 14 -11.272 1.713 -0.020 1.00 0.00 N ATOM 127 CA ALA A 14 -10.380 1.606 -1.161 1.00 0.00 C ATOM 128 C ALA A 14 -8.931 1.603 -0.671 1.00 0.00 C ATOM 129 O ALA A 14 -8.189 0.654 -0.923 1.00 0.00 O ATOM 130 CB ALA A 14 -10.662 2.748 -2.139 1.00 0.00 C ATOM 0 H ALA A 14 -12.063 2.343 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.550 0.671 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.992 2.667 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.696 2.688 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.499 3.703 -1.640 1.00 0.00 H new ATOM 136 N LEU A 15 -8.570 2.675 0.019 1.00 0.00 N ATOM 137 CA LEU A 15 -7.223 2.807 0.547 1.00 0.00 C ATOM 138 C LEU A 15 -6.772 1.465 1.126 1.00 0.00 C ATOM 139 O LEU A 15 -5.832 0.852 0.623 1.00 0.00 O ATOM 140 CB LEU A 15 -7.150 3.964 1.545 1.00 0.00 C ATOM 141 CG LEU A 15 -5.744 4.409 1.954 1.00 0.00 C ATOM 142 CD1 LEU A 15 -4.723 4.067 0.868 1.00 0.00 C ATOM 143 CD2 LEU A 15 -5.723 5.896 2.314 1.00 0.00 C ATOM 0 H LEU A 15 -9.187 3.460 0.225 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.524 3.060 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.671 4.821 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.695 3.677 2.444 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.458 3.857 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.732 4.394 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.714 2.990 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.994 4.573 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.712 6.187 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.039 6.484 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.403 6.079 3.146 1.00 0.00 H new ATOM 155 N LYS A 16 -7.465 1.048 2.176 1.00 0.00 N ATOM 156 CA LYS A 16 -7.148 -0.211 2.829 1.00 0.00 C ATOM 157 C LYS A 16 -7.122 -1.330 1.786 1.00 0.00 C ATOM 158 O LYS A 16 -6.086 -1.956 1.567 1.00 0.00 O ATOM 159 CB LYS A 16 -8.113 -0.472 3.987 1.00 0.00 C ATOM 160 CG LYS A 16 -7.562 -1.543 4.930 1.00 0.00 C ATOM 161 CD LYS A 16 -8.573 -2.674 5.126 1.00 0.00 C ATOM 162 CE LYS A 16 -8.080 -3.675 6.174 1.00 0.00 C ATOM 163 NZ LYS A 16 -9.182 -4.568 6.595 1.00 0.00 N ATOM 0 H LYS A 16 -8.244 1.559 2.590 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.155 -0.168 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.282 0.452 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.079 -0.790 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.634 -1.946 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.321 -1.095 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.532 -2.259 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.739 -3.186 4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.261 -4.266 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.686 -3.141 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.831 -5.241 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.951 -4.001 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.539 -5.091 5.770 1.00 0.00 H new ATOM 177 N GLY A 17 -8.275 -1.548 1.170 1.00 0.00 N ATOM 178 CA GLY A 17 -8.397 -2.580 0.156 1.00 0.00 C ATOM 179 C GLY A 17 -7.136 -2.654 -0.707 1.00 0.00 C ATOM 180 O GLY A 17 -6.602 -3.738 -0.941 1.00 0.00 O ATOM 0 H GLY A 17 -9.132 -1.027 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.572 -3.544 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.262 -2.374 -0.475 1.00 0.00 H new ATOM 184 N LEU A 18 -6.696 -1.488 -1.156 1.00 0.00 N ATOM 185 CA LEU A 18 -5.507 -1.407 -1.987 1.00 0.00 C ATOM 186 C LEU A 18 -4.278 -1.762 -1.148 1.00 0.00 C ATOM 187 O LEU A 18 -3.491 -2.628 -1.529 1.00 0.00 O ATOM 188 CB LEU A 18 -5.416 -0.036 -2.661 1.00 0.00 C ATOM 189 CG LEU A 18 -6.448 0.242 -3.756 1.00 0.00 C ATOM 190 CD1 LEU A 18 -6.689 1.745 -3.912 1.00 0.00 C ATOM 191 CD2 LEU A 18 -6.038 -0.413 -5.076 1.00 0.00 C ATOM 0 H LEU A 18 -7.141 -0.592 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.560 -2.133 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.514 0.732 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.420 0.070 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.395 -0.207 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.426 1.916 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.058 2.154 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.754 2.238 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.789 -0.200 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.075 -0.016 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.958 -1.491 -4.938 1.00 0.00 H new ATOM 203 N ILE A 19 -4.151 -1.076 -0.022 1.00 0.00 N ATOM 204 CA ILE A 19 -3.031 -1.308 0.874 1.00 0.00 C ATOM 205 C ILE A 19 -2.743 -2.809 0.945 1.00 0.00 C ATOM 206 O ILE A 19 -1.602 -3.235 0.777 1.00 0.00 O ATOM 207 CB ILE A 19 -3.294 -0.667 2.238 1.00 0.00 C ATOM 208 CG1 ILE A 19 -3.166 0.856 2.161 1.00 0.00 C ATOM 209 CG2 ILE A 19 -2.382 -1.266 3.310 1.00 0.00 C ATOM 210 CD1 ILE A 19 -3.621 1.511 3.467 1.00 0.00 C ATOM 0 H ILE A 19 -4.806 -0.359 0.291 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.131 -0.828 0.491 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.321 -0.890 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.131 1.128 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.765 1.234 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.589 -0.793 4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.566 -2.338 3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.340 -1.095 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.520 2.593 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.664 1.257 3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.004 1.150 4.290 1.00 0.00 H new ATOM 222 N GLN A 20 -3.799 -3.570 1.196 1.00 0.00 N ATOM 223 CA GLN A 20 -3.674 -5.015 1.292 1.00 0.00 C ATOM 224 C GLN A 20 -3.000 -5.574 0.037 1.00 0.00 C ATOM 225 O GLN A 20 -2.030 -6.324 0.131 1.00 0.00 O ATOM 226 CB GLN A 20 -5.038 -5.669 1.520 1.00 0.00 C ATOM 227 CG GLN A 20 -5.393 -5.692 3.007 1.00 0.00 C ATOM 228 CD GLN A 20 -5.100 -7.063 3.620 1.00 0.00 C ATOM 229 OE1 GLN A 20 -5.848 -8.014 3.463 1.00 0.00 O ATOM 230 NE2 GLN A 20 -3.973 -7.111 4.325 1.00 0.00 N ATOM 0 H GLN A 20 -4.744 -3.213 1.336 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.047 -5.250 2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.804 -5.124 0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.027 -6.686 1.129 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.823 -4.926 3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.448 -5.450 3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.393 -6.277 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.689 -7.982 4.774 1.00 0.00 H new ATOM 239 N GLN A 21 -3.541 -5.186 -1.109 1.00 0.00 N ATOM 240 CA GLN A 21 -3.004 -5.639 -2.381 1.00 0.00 C ATOM 241 C GLN A 21 -1.505 -5.347 -2.459 1.00 0.00 C ATOM 242 O GLN A 21 -0.731 -6.176 -2.935 1.00 0.00 O ATOM 243 CB GLN A 21 -3.750 -4.995 -3.551 1.00 0.00 C ATOM 244 CG GLN A 21 -5.259 -5.216 -3.429 1.00 0.00 C ATOM 245 CD GLN A 21 -5.775 -6.113 -4.556 1.00 0.00 C ATOM 246 OE1 GLN A 21 -5.251 -7.182 -4.823 1.00 0.00 O ATOM 247 NE2 GLN A 21 -6.829 -5.620 -5.201 1.00 0.00 N ATOM 0 H GLN A 21 -4.345 -4.563 -1.183 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.148 -6.717 -2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.537 -3.926 -3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.392 -5.416 -4.491 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.487 -5.670 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.774 -4.256 -3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.219 -4.718 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.247 -6.144 -5.970 1.00 0.00 H new ATOM 256 N PHE A 22 -1.139 -4.165 -1.983 1.00 0.00 N ATOM 257 CA PHE A 22 0.254 -3.753 -1.993 1.00 0.00 C ATOM 258 C PHE A 22 1.069 -4.551 -0.973 1.00 0.00 C ATOM 259 O PHE A 22 2.080 -5.160 -1.320 1.00 0.00 O ATOM 260 CB PHE A 22 0.286 -2.273 -1.608 1.00 0.00 C ATOM 261 CG PHE A 22 1.668 -1.627 -1.730 1.00 0.00 C ATOM 262 CD1 PHE A 22 2.532 -1.668 -0.681 1.00 0.00 C ATOM 263 CD2 PHE A 22 2.031 -1.013 -2.887 1.00 0.00 C ATOM 264 CE1 PHE A 22 3.815 -1.069 -0.795 1.00 0.00 C ATOM 265 CE2 PHE A 22 3.313 -0.413 -3.001 1.00 0.00 C ATOM 266 CZ PHE A 22 4.178 -0.454 -1.952 1.00 0.00 C ATOM 0 H PHE A 22 -1.783 -3.480 -1.588 1.00 0.00 H new ATOM 0 HA PHE A 22 0.686 -3.926 -2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.415 -1.729 -2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.063 -2.168 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.243 -2.156 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.344 -0.981 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.502 -1.102 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.601 0.076 -3.920 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.153 0.002 -2.038 1.00 0.00 H new ATOM 276 N THR A 23 0.599 -4.522 0.265 1.00 0.00 N ATOM 277 CA THR A 23 1.271 -5.235 1.338 1.00 0.00 C ATOM 278 C THR A 23 1.368 -6.726 1.009 1.00 0.00 C ATOM 279 O THR A 23 2.193 -7.439 1.579 1.00 0.00 O ATOM 280 CB THR A 23 0.521 -4.948 2.640 1.00 0.00 C ATOM 281 OG1 THR A 23 -0.830 -5.292 2.345 1.00 0.00 O ATOM 282 CG2 THR A 23 0.462 -3.454 2.965 1.00 0.00 C ATOM 0 H THR A 23 -0.240 -4.016 0.549 1.00 0.00 H new ATOM 0 HA THR A 23 2.299 -4.893 1.456 1.00 0.00 H new ATOM 0 HB THR A 23 1.003 -5.479 3.461 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.295 -4.510 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.081 -3.306 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.475 -3.064 3.068 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.050 -2.926 2.160 1.00 0.00 H new ATOM 290 N THR A 24 0.515 -7.153 0.090 1.00 0.00 N ATOM 291 CA THR A 24 0.493 -8.546 -0.322 1.00 0.00 C ATOM 292 C THR A 24 1.400 -8.757 -1.536 1.00 0.00 C ATOM 293 O THR A 24 2.269 -9.627 -1.523 1.00 0.00 O ATOM 294 CB THR A 24 -0.962 -8.943 -0.574 1.00 0.00 C ATOM 295 OG1 THR A 24 -1.524 -9.052 0.731 1.00 0.00 O ATOM 296 CG2 THR A 24 -1.093 -10.352 -1.156 1.00 0.00 C ATOM 0 H THR A 24 -0.167 -6.558 -0.381 1.00 0.00 H new ATOM 0 HA THR A 24 0.890 -9.195 0.458 1.00 0.00 H new ATOM 0 HB THR A 24 -1.420 -8.226 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.907 -8.189 0.995 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.146 -10.583 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.562 -10.404 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.664 -11.074 -0.461 1.00 0.00 H new ATOM 304 N ILE A 25 1.166 -7.945 -2.557 1.00 0.00 N ATOM 305 CA ILE A 25 1.951 -8.032 -3.777 1.00 0.00 C ATOM 306 C ILE A 25 3.424 -7.780 -3.449 1.00 0.00 C ATOM 307 O ILE A 25 4.261 -8.667 -3.616 1.00 0.00 O ATOM 308 CB ILE A 25 1.389 -7.090 -4.844 1.00 0.00 C ATOM 309 CG1 ILE A 25 0.026 -7.577 -5.342 1.00 0.00 C ATOM 310 CG2 ILE A 25 2.385 -6.903 -5.990 1.00 0.00 C ATOM 311 CD1 ILE A 25 -0.895 -6.398 -5.660 1.00 0.00 C ATOM 0 H ILE A 25 0.444 -7.224 -2.564 1.00 0.00 H new ATOM 0 HA ILE A 25 1.885 -9.034 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 25 1.235 -6.111 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.158 -8.190 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.437 -8.210 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.961 -6.229 -6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.311 -6.478 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.594 -7.868 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.857 -6.772 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.045 -5.801 -4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.441 -5.780 -6.435 1.00 0.00 H new ATOM 323 N THR A 26 3.696 -6.568 -2.990 1.00 0.00 N ATOM 324 CA THR A 26 5.054 -6.189 -2.637 1.00 0.00 C ATOM 325 C THR A 26 5.527 -6.975 -1.413 1.00 0.00 C ATOM 326 O THR A 26 6.515 -7.704 -1.482 1.00 0.00 O ATOM 327 CB THR A 26 5.084 -4.673 -2.435 1.00 0.00 C ATOM 328 OG1 THR A 26 4.417 -4.475 -1.191 1.00 0.00 O ATOM 329 CG2 THR A 26 4.211 -3.929 -3.448 1.00 0.00 C ATOM 0 H THR A 26 3.000 -5.835 -2.854 1.00 0.00 H new ATOM 0 HA THR A 26 5.754 -6.439 -3.434 1.00 0.00 H new ATOM 0 HB THR A 26 6.112 -4.318 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.449 -4.446 -1.340 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.268 -2.857 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.565 -4.140 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.177 -4.260 -3.350 1.00 0.00 H new ATOM 337 N GLY A 27 4.799 -6.800 -0.320 1.00 0.00 N ATOM 338 CA GLY A 27 5.131 -7.484 0.918 1.00 0.00 C ATOM 339 C GLY A 27 5.543 -6.486 2.002 1.00 0.00 C ATOM 340 O GLY A 27 6.136 -6.868 3.010 1.00 0.00 O ATOM 0 H GLY A 27 3.980 -6.194 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.273 -8.063 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.942 -8.190 0.741 1.00 0.00 H new ATOM 344 N ALA A 28 5.212 -5.226 1.759 1.00 0.00 N ATOM 345 CA ALA A 28 5.540 -4.170 2.702 1.00 0.00 C ATOM 346 C ALA A 28 4.441 -4.081 3.763 1.00 0.00 C ATOM 347 O ALA A 28 3.458 -4.817 3.707 1.00 0.00 O ATOM 348 CB ALA A 28 5.731 -2.853 1.947 1.00 0.00 C ATOM 0 H ALA A 28 4.720 -4.913 0.922 1.00 0.00 H new ATOM 0 HA ALA A 28 6.476 -4.390 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.977 -2.061 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.542 -2.961 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.811 -2.598 1.422 1.00 0.00 H new ATOM 354 N SER A 29 4.646 -3.172 4.705 1.00 0.00 N ATOM 355 CA SER A 29 3.685 -2.976 5.778 1.00 0.00 C ATOM 356 C SER A 29 2.539 -2.084 5.297 1.00 0.00 C ATOM 357 O SER A 29 2.642 -1.444 4.251 1.00 0.00 O ATOM 358 CB SER A 29 4.353 -2.365 7.011 1.00 0.00 C ATOM 359 OG SER A 29 5.289 -3.257 7.608 1.00 0.00 O ATOM 0 H SER A 29 5.463 -2.563 4.748 1.00 0.00 H new ATOM 0 HA SER A 29 3.285 -3.949 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.861 -1.443 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.590 -2.098 7.742 1.00 0.00 H new ATOM 0 HG SER A 29 5.695 -2.829 8.391 1.00 0.00 H new ATOM 365 N GLU A 30 1.473 -2.070 6.083 1.00 0.00 N ATOM 366 CA GLU A 30 0.308 -1.267 5.751 1.00 0.00 C ATOM 367 C GLU A 30 0.714 0.194 5.541 1.00 0.00 C ATOM 368 O GLU A 30 0.582 0.726 4.440 1.00 0.00 O ATOM 369 CB GLU A 30 -0.767 -1.387 6.832 1.00 0.00 C ATOM 370 CG GLU A 30 -1.966 -2.191 6.326 1.00 0.00 C ATOM 371 CD GLU A 30 -2.544 -3.072 7.436 1.00 0.00 C ATOM 372 OE1 GLU A 30 -2.450 -2.644 8.607 1.00 0.00 O ATOM 373 OE2 GLU A 30 -3.066 -4.153 7.089 1.00 0.00 O ATOM 0 H GLU A 30 1.391 -2.602 6.949 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.116 -1.644 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.348 -1.869 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.094 -0.393 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.735 -1.511 5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.662 -2.813 5.484 1.00 0.00 H new ATOM 380 N SER A 31 1.198 0.801 6.614 1.00 0.00 N ATOM 381 CA SER A 31 1.624 2.189 6.561 1.00 0.00 C ATOM 382 C SER A 31 2.371 2.458 5.253 1.00 0.00 C ATOM 383 O SER A 31 2.107 3.450 4.576 1.00 0.00 O ATOM 384 CB SER A 31 2.508 2.540 7.759 1.00 0.00 C ATOM 385 OG SER A 31 1.745 2.730 8.948 1.00 0.00 O ATOM 0 H SER A 31 1.305 0.357 7.526 1.00 0.00 H new ATOM 0 HA SER A 31 0.737 2.821 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.235 1.744 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.071 3.447 7.541 1.00 0.00 H new ATOM 0 HG SER A 31 2.346 2.951 9.690 1.00 0.00 H new ATOM 391 N VAL A 32 3.289 1.556 4.938 1.00 0.00 N ATOM 392 CA VAL A 32 4.077 1.683 3.723 1.00 0.00 C ATOM 393 C VAL A 32 3.142 1.685 2.512 1.00 0.00 C ATOM 394 O VAL A 32 3.165 2.614 1.706 1.00 0.00 O ATOM 395 CB VAL A 32 5.130 0.576 3.664 1.00 0.00 C ATOM 396 CG1 VAL A 32 5.851 0.576 2.314 1.00 0.00 C ATOM 397 CG2 VAL A 32 6.127 0.704 4.818 1.00 0.00 C ATOM 0 H VAL A 32 3.505 0.734 5.503 1.00 0.00 H new ATOM 0 HA VAL A 32 4.619 2.629 3.716 1.00 0.00 H new ATOM 0 HB VAL A 32 4.617 -0.380 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.595 -0.221 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.128 0.413 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.345 1.536 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.865 -0.096 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.631 1.669 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.596 0.630 5.767 1.00 0.00 H new ATOM 407 N GLY A 33 2.341 0.633 2.422 1.00 0.00 N ATOM 408 CA GLY A 33 1.399 0.501 1.323 1.00 0.00 C ATOM 409 C GLY A 33 0.509 1.740 1.212 1.00 0.00 C ATOM 410 O GLY A 33 -0.067 2.003 0.157 1.00 0.00 O ATOM 0 H GLY A 33 2.325 -0.136 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.942 0.354 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.780 -0.383 1.474 1.00 0.00 H new ATOM 414 N LYS A 34 0.424 2.469 2.315 1.00 0.00 N ATOM 415 CA LYS A 34 -0.387 3.675 2.355 1.00 0.00 C ATOM 416 C LYS A 34 0.424 4.848 1.802 1.00 0.00 C ATOM 417 O LYS A 34 -0.057 5.592 0.949 1.00 0.00 O ATOM 418 CB LYS A 34 -0.926 3.911 3.767 1.00 0.00 C ATOM 419 CG LYS A 34 -2.265 4.651 3.726 1.00 0.00 C ATOM 420 CD LYS A 34 -2.661 5.145 5.119 1.00 0.00 C ATOM 421 CE LYS A 34 -4.094 4.730 5.461 1.00 0.00 C ATOM 422 NZ LYS A 34 -4.351 4.899 6.908 1.00 0.00 N ATOM 0 H LYS A 34 0.903 2.248 3.188 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.265 3.566 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.050 2.956 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.204 4.489 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.196 5.497 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.039 3.989 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.974 4.739 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.573 6.231 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.800 5.331 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.256 3.690 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.328 4.613 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.690 4.307 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.217 5.896 7.170 1.00 0.00 H new ATOM 436 N HIS A 35 1.641 4.977 2.310 1.00 0.00 N ATOM 437 CA HIS A 35 2.523 6.047 1.878 1.00 0.00 C ATOM 438 C HIS A 35 2.752 5.946 0.368 1.00 0.00 C ATOM 439 O HIS A 35 2.876 6.961 -0.314 1.00 0.00 O ATOM 440 CB HIS A 35 3.828 6.032 2.677 1.00 0.00 C ATOM 441 CG HIS A 35 4.859 7.021 2.188 1.00 0.00 C ATOM 442 ND1 HIS A 35 5.037 8.266 2.765 1.00 0.00 N ATOM 443 CD2 HIS A 35 5.765 6.934 1.172 1.00 0.00 C ATOM 444 CE1 HIS A 35 6.008 8.893 2.117 1.00 0.00 C ATOM 445 NE2 HIS A 35 6.458 8.066 1.130 1.00 0.00 N ATOM 0 H HIS A 35 2.037 4.358 3.017 1.00 0.00 H new ATOM 0 HA HIS A 35 2.054 7.011 2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.604 6.243 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.254 5.030 2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.896 6.088 0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.378 9.884 2.332 1.00 0.00 H new ATOM 0 HE2 HIS A 35 7.204 8.282 0.469 1.00 0.00 H new ATOM 453 N MET A 36 2.799 4.710 -0.109 1.00 0.00 N ATOM 454 CA MET A 36 3.011 4.463 -1.525 1.00 0.00 C ATOM 455 C MET A 36 1.750 4.782 -2.331 1.00 0.00 C ATOM 456 O MET A 36 1.835 5.280 -3.452 1.00 0.00 O ATOM 457 CB MET A 36 3.394 2.997 -1.735 1.00 0.00 C ATOM 458 CG MET A 36 4.481 2.567 -0.748 1.00 0.00 C ATOM 459 SD MET A 36 6.068 2.530 -1.564 1.00 0.00 S ATOM 460 CE MET A 36 6.137 4.203 -2.182 1.00 0.00 C ATOM 0 H MET A 36 2.694 3.870 0.460 1.00 0.00 H new ATOM 0 HA MET A 36 3.816 5.111 -1.872 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.514 2.366 -1.610 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.747 2.852 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.512 3.258 0.095 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.248 1.582 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.158 4.438 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.474 4.301 -3.041 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.822 4.893 -1.400 1.00 0.00 H new ATOM 470 N LEU A 37 0.609 4.481 -1.729 1.00 0.00 N ATOM 471 CA LEU A 37 -0.668 4.729 -2.377 1.00 0.00 C ATOM 472 C LEU A 37 -0.992 6.223 -2.300 1.00 0.00 C ATOM 473 O LEU A 37 -1.343 6.838 -3.305 1.00 0.00 O ATOM 474 CB LEU A 37 -1.755 3.832 -1.781 1.00 0.00 C ATOM 475 CG LEU A 37 -1.744 2.372 -2.237 1.00 0.00 C ATOM 476 CD1 LEU A 37 -2.483 1.480 -1.238 1.00 0.00 C ATOM 477 CD2 LEU A 37 -2.307 2.235 -3.653 1.00 0.00 C ATOM 0 H LEU A 37 0.542 4.067 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.616 4.467 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.661 3.854 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.727 4.261 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.709 2.032 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.460 0.447 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.998 1.545 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.518 1.811 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.288 1.187 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.334 2.599 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.701 2.821 -4.344 1.00 0.00 H new ATOM 489 N GLU A 38 -0.862 6.762 -1.096 1.00 0.00 N ATOM 490 CA GLU A 38 -1.137 8.172 -0.875 1.00 0.00 C ATOM 491 C GLU A 38 -0.173 9.035 -1.691 1.00 0.00 C ATOM 492 O GLU A 38 -0.412 10.226 -1.885 1.00 0.00 O ATOM 493 CB GLU A 38 -1.058 8.519 0.613 1.00 0.00 C ATOM 494 CG GLU A 38 -2.455 8.699 1.209 1.00 0.00 C ATOM 495 CD GLU A 38 -3.137 9.945 0.641 1.00 0.00 C ATOM 496 OE1 GLU A 38 -2.395 10.885 0.283 1.00 0.00 O ATOM 497 OE2 GLU A 38 -4.385 9.930 0.577 1.00 0.00 O ATOM 0 H GLU A 38 -0.570 6.248 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.153 8.381 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.530 7.729 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.481 9.434 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.062 7.819 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.384 8.782 2.294 1.00 0.00 H new ATOM 504 N ALA A 39 0.897 8.401 -2.148 1.00 0.00 N ATOM 505 CA ALA A 39 1.898 9.096 -2.939 1.00 0.00 C ATOM 506 C ALA A 39 1.714 8.738 -4.416 1.00 0.00 C ATOM 507 O ALA A 39 2.566 9.053 -5.245 1.00 0.00 O ATOM 508 CB ALA A 39 3.294 8.742 -2.423 1.00 0.00 C ATOM 0 H ALA A 39 1.092 7.413 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 39 1.780 10.175 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.045 9.264 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.383 9.043 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.450 7.666 -2.505 1.00 0.00 H new ATOM 514 N CYS A 40 0.597 8.085 -4.698 1.00 0.00 N ATOM 515 CA CYS A 40 0.290 7.681 -6.060 1.00 0.00 C ATOM 516 C CYS A 40 -1.216 7.832 -6.279 1.00 0.00 C ATOM 517 O CYS A 40 -1.846 6.980 -6.903 1.00 0.00 O ATOM 518 CB CYS A 40 0.768 6.256 -6.348 1.00 0.00 C ATOM 519 SG CYS A 40 2.511 6.282 -6.908 1.00 0.00 S ATOM 0 H CYS A 40 -0.107 7.825 -4.007 1.00 0.00 H new ATOM 0 HA CYS A 40 0.824 8.323 -6.761 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.675 5.644 -5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.139 5.800 -7.112 1.00 0.00 H new ATOM 0 HG CYS A 40 2.550 6.432 -8.199 1.00 0.00 H new ATOM 525 N ASN A 41 -1.751 8.924 -5.753 1.00 0.00 N ATOM 526 CA ASN A 41 -3.172 9.199 -5.882 1.00 0.00 C ATOM 527 C ASN A 41 -3.965 7.939 -5.527 1.00 0.00 C ATOM 528 O ASN A 41 -4.986 7.648 -6.148 1.00 0.00 O ATOM 529 CB ASN A 41 -3.529 9.592 -7.317 1.00 0.00 C ATOM 530 CG ASN A 41 -4.443 10.818 -7.339 1.00 0.00 C ATOM 531 OD1 ASN A 41 -4.129 11.869 -6.804 1.00 0.00 O ATOM 532 ND2 ASN A 41 -5.590 10.627 -7.985 1.00 0.00 N ATOM 0 H ASN A 41 -1.226 9.629 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.418 10.021 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.618 9.803 -7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.023 8.757 -7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.268 11.385 -8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.791 9.722 -8.411 1.00 0.00 H new ATOM 539 N ASN A 42 -3.465 7.226 -4.528 1.00 0.00 N ATOM 540 CA ASN A 42 -4.114 6.005 -4.082 1.00 0.00 C ATOM 541 C ASN A 42 -4.243 5.041 -5.263 1.00 0.00 C ATOM 542 O ASN A 42 -5.347 4.626 -5.612 1.00 0.00 O ATOM 543 CB ASN A 42 -5.520 6.291 -3.549 1.00 0.00 C ATOM 544 CG ASN A 42 -5.617 7.714 -2.995 1.00 0.00 C ATOM 545 OD1 ASN A 42 -5.742 8.684 -3.723 1.00 0.00 O ATOM 546 ND2 ASN A 42 -5.553 7.783 -1.668 1.00 0.00 N ATOM 0 H ASN A 42 -2.618 7.471 -4.015 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.508 5.572 -3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.250 6.157 -4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.769 5.574 -2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.609 8.688 -1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.448 6.931 -1.117 1.00 0.00 H new ATOM 553 N ASN A 43 -3.099 4.712 -5.845 1.00 0.00 N ATOM 554 CA ASN A 43 -3.070 3.805 -6.979 1.00 0.00 C ATOM 555 C ASN A 43 -2.098 2.660 -6.687 1.00 0.00 C ATOM 556 O ASN A 43 -0.915 2.893 -6.444 1.00 0.00 O ATOM 557 CB ASN A 43 -2.592 4.519 -8.245 1.00 0.00 C ATOM 558 CG ASN A 43 -3.196 3.880 -9.497 1.00 0.00 C ATOM 559 OD1 ASN A 43 -2.916 2.587 -9.632 1.00 0.00 O flip ATOM 560 ND2 ASN A 43 -3.870 4.519 -10.288 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.185 5.058 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.082 3.431 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.870 5.572 -8.200 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.504 4.479 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.047 5.510 -10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.257 4.062 -11.114 1.00 0.00 H new ATOM 567 N LEU A 44 -2.633 1.449 -6.719 1.00 0.00 N ATOM 568 CA LEU A 44 -1.828 0.267 -6.461 1.00 0.00 C ATOM 569 C LEU A 44 -0.829 0.076 -7.604 1.00 0.00 C ATOM 570 O LEU A 44 0.381 0.167 -7.397 1.00 0.00 O ATOM 571 CB LEU A 44 -2.723 -0.949 -6.217 1.00 0.00 C ATOM 572 CG LEU A 44 -2.002 -2.256 -5.882 1.00 0.00 C ATOM 573 CD1 LEU A 44 -1.649 -2.322 -4.394 1.00 0.00 C ATOM 574 CD2 LEU A 44 -2.825 -3.466 -6.329 1.00 0.00 C ATOM 0 H LEU A 44 -3.615 1.260 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.247 0.394 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.406 -0.714 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.332 -1.111 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.064 -2.281 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.137 -3.261 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.996 -1.487 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.562 -2.265 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.290 -4.382 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.789 -3.458 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.983 -3.421 -7.407 1.00 0.00 H new ATOM 586 N GLU A 45 -1.371 -0.185 -8.784 1.00 0.00 N ATOM 587 CA GLU A 45 -0.542 -0.389 -9.960 1.00 0.00 C ATOM 588 C GLU A 45 0.654 0.565 -9.938 1.00 0.00 C ATOM 589 O GLU A 45 1.795 0.139 -10.110 1.00 0.00 O ATOM 590 CB GLU A 45 -1.358 -0.217 -11.242 1.00 0.00 C ATOM 591 CG GLU A 45 -2.193 -1.466 -11.533 1.00 0.00 C ATOM 592 CD GLU A 45 -1.650 -2.217 -12.751 1.00 0.00 C ATOM 593 OE1 GLU A 45 -0.413 -2.392 -12.804 1.00 0.00 O ATOM 594 OE2 GLU A 45 -2.483 -2.599 -13.600 1.00 0.00 O ATOM 0 H GLU A 45 -2.374 -0.260 -8.951 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.166 -1.412 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.013 0.649 -11.147 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.689 -0.019 -12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.186 -2.123 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.230 -1.181 -11.709 1.00 0.00 H new ATOM 601 N MET A 46 0.352 1.837 -9.726 1.00 0.00 N ATOM 602 CA MET A 46 1.388 2.855 -9.680 1.00 0.00 C ATOM 603 C MET A 46 2.309 2.645 -8.477 1.00 0.00 C ATOM 604 O MET A 46 3.527 2.557 -8.631 1.00 0.00 O ATOM 605 CB MET A 46 0.741 4.239 -9.592 1.00 0.00 C ATOM 606 CG MET A 46 1.446 5.233 -10.517 1.00 0.00 C ATOM 607 SD MET A 46 1.321 6.883 -9.848 1.00 0.00 S ATOM 608 CE MET A 46 -0.447 7.116 -9.926 1.00 0.00 C ATOM 0 H MET A 46 -0.596 2.186 -9.584 1.00 0.00 H new ATOM 0 HA MET A 46 1.985 2.781 -10.589 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.313 4.170 -9.862 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.784 4.600 -8.564 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.494 4.956 -10.631 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.998 5.199 -11.510 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.684 8.165 -9.748 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.809 6.824 -10.912 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.929 6.501 -9.166 1.00 0.00 H new ATOM 618 N ALA A 47 1.694 2.571 -7.306 1.00 0.00 N ATOM 619 CA ALA A 47 2.444 2.373 -6.078 1.00 0.00 C ATOM 620 C ALA A 47 3.418 1.208 -6.262 1.00 0.00 C ATOM 621 O ALA A 47 4.605 1.333 -5.965 1.00 0.00 O ATOM 622 CB ALA A 47 1.473 2.144 -4.918 1.00 0.00 C ATOM 0 H ALA A 47 0.684 2.645 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 47 3.032 3.259 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.036 1.995 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.823 3.013 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.867 1.261 -5.120 1.00 0.00 H new ATOM 628 N VAL A 48 2.879 0.100 -6.751 1.00 0.00 N ATOM 629 CA VAL A 48 3.686 -1.087 -6.978 1.00 0.00 C ATOM 630 C VAL A 48 4.836 -0.743 -7.927 1.00 0.00 C ATOM 631 O VAL A 48 6.003 -0.935 -7.590 1.00 0.00 O ATOM 632 CB VAL A 48 2.805 -2.227 -7.494 1.00 0.00 C ATOM 633 CG1 VAL A 48 3.542 -3.566 -7.418 1.00 0.00 C ATOM 634 CG2 VAL A 48 1.481 -2.285 -6.731 1.00 0.00 C ATOM 0 H VAL A 48 1.894 -0.000 -6.996 1.00 0.00 H new ATOM 0 HA VAL A 48 4.128 -1.433 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 48 2.579 -2.028 -8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.894 -4.360 -7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.445 -3.519 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.812 -3.774 -6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.874 -3.104 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.678 -2.448 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.946 -1.344 -6.859 1.00 0.00 H new ATOM 644 N THR A 49 4.466 -0.241 -9.096 1.00 0.00 N ATOM 645 CA THR A 49 5.451 0.132 -10.097 1.00 0.00 C ATOM 646 C THR A 49 6.467 1.112 -9.506 1.00 0.00 C ATOM 647 O THR A 49 7.634 1.112 -9.894 1.00 0.00 O ATOM 648 CB THR A 49 4.706 0.688 -11.311 1.00 0.00 C ATOM 649 OG1 THR A 49 4.079 -0.456 -11.887 1.00 0.00 O ATOM 650 CG2 THR A 49 5.655 1.182 -12.405 1.00 0.00 C ATOM 0 H THR A 49 3.497 -0.084 -9.372 1.00 0.00 H new ATOM 0 HA THR A 49 6.031 -0.732 -10.422 1.00 0.00 H new ATOM 0 HB THR A 49 4.058 1.506 -10.996 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.194 -0.581 -11.485 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.075 1.566 -13.244 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.287 1.976 -12.007 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.280 0.356 -12.745 1.00 0.00 H new ATOM 658 N MET A 50 5.985 1.924 -8.576 1.00 0.00 N ATOM 659 CA MET A 50 6.836 2.908 -7.928 1.00 0.00 C ATOM 660 C MET A 50 7.756 2.245 -6.901 1.00 0.00 C ATOM 661 O MET A 50 8.975 2.394 -6.967 1.00 0.00 O ATOM 662 CB MET A 50 5.965 3.957 -7.232 1.00 0.00 C ATOM 663 CG MET A 50 5.168 4.772 -8.252 1.00 0.00 C ATOM 664 SD MET A 50 5.553 6.506 -8.083 1.00 0.00 S ATOM 665 CE MET A 50 5.419 6.682 -6.311 1.00 0.00 C ATOM 0 H MET A 50 5.017 1.921 -8.256 1.00 0.00 H new ATOM 0 HA MET A 50 7.455 3.384 -8.689 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.281 3.466 -6.540 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.594 4.623 -6.641 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.403 4.436 -9.262 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.100 4.612 -8.103 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.826 7.566 -6.077 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.935 5.799 -5.893 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.414 6.788 -5.880 1.00 0.00 H new ATOM 675 N PHE A 51 7.137 1.527 -5.976 1.00 0.00 N ATOM 676 CA PHE A 51 7.885 0.841 -4.936 1.00 0.00 C ATOM 677 C PHE A 51 8.819 -0.212 -5.537 1.00 0.00 C ATOM 678 O PHE A 51 10.011 -0.234 -5.235 1.00 0.00 O ATOM 679 CB PHE A 51 6.863 0.144 -4.035 1.00 0.00 C ATOM 680 CG PHE A 51 7.486 -0.776 -2.983 1.00 0.00 C ATOM 681 CD1 PHE A 51 8.030 -0.247 -1.854 1.00 0.00 C ATOM 682 CD2 PHE A 51 7.497 -2.122 -3.177 1.00 0.00 C ATOM 683 CE1 PHE A 51 8.608 -1.101 -0.878 1.00 0.00 C ATOM 684 CE2 PHE A 51 8.075 -2.976 -2.201 1.00 0.00 C ATOM 685 CZ PHE A 51 8.618 -2.447 -1.072 1.00 0.00 C ATOM 0 H PHE A 51 6.126 1.405 -5.925 1.00 0.00 H new ATOM 0 HA PHE A 51 8.494 1.556 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.262 0.901 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.184 -0.439 -4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.022 0.822 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.066 -2.542 -4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.040 -0.682 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.083 -4.045 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.057 -3.096 -0.329 1.00 0.00 H new ATOM 695 N LEU A 52 8.241 -1.059 -6.376 1.00 0.00 N ATOM 696 CA LEU A 52 9.007 -2.112 -7.022 1.00 0.00 C ATOM 697 C LEU A 52 10.288 -1.518 -7.610 1.00 0.00 C ATOM 698 O LEU A 52 11.389 -1.868 -7.188 1.00 0.00 O ATOM 699 CB LEU A 52 8.144 -2.849 -8.048 1.00 0.00 C ATOM 700 CG LEU A 52 7.185 -3.901 -7.486 1.00 0.00 C ATOM 701 CD1 LEU A 52 6.276 -4.457 -8.584 1.00 0.00 C ATOM 702 CD2 LEU A 52 7.950 -5.009 -6.760 1.00 0.00 C ATOM 0 H LEU A 52 7.252 -1.038 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 52 9.309 -2.865 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.560 -2.112 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.804 -3.335 -8.767 1.00 0.00 H new ATOM 0 HG LEU A 52 6.542 -3.418 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.605 -5.202 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.690 -3.646 -9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.885 -4.919 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.245 -5.743 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.633 -5.496 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.518 -4.579 -5.935 1.00 0.00 H new ATOM 714 N ASP A 53 10.102 -0.628 -8.574 1.00 0.00 N ATOM 715 CA ASP A 53 11.229 0.018 -9.224 1.00 0.00 C ATOM 716 C ASP A 53 12.244 0.450 -8.164 1.00 0.00 C ATOM 717 O ASP A 53 13.429 0.139 -8.270 1.00 0.00 O ATOM 718 CB ASP A 53 10.783 1.267 -9.988 1.00 0.00 C ATOM 719 CG ASP A 53 10.771 1.123 -11.511 1.00 0.00 C ATOM 720 OD1 ASP A 53 10.915 -0.030 -11.973 1.00 0.00 O ATOM 721 OD2 ASP A 53 10.617 2.168 -12.178 1.00 0.00 O ATOM 0 H ASP A 53 9.187 -0.339 -8.920 1.00 0.00 H new ATOM 0 HA ASP A 53 11.669 -0.694 -9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.781 1.539 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.443 2.093 -9.721 1.00 0.00 H new ATOM 726 N GLY A 54 11.742 1.161 -7.165 1.00 0.00 N ATOM 727 CA GLY A 54 12.591 1.639 -6.086 1.00 0.00 C ATOM 728 C GLY A 54 12.437 0.766 -4.840 1.00 0.00 C ATOM 729 O GLY A 54 11.826 1.183 -3.857 1.00 0.00 O ATOM 0 H GLY A 54 10.759 1.418 -7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.632 1.637 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.334 2.671 -5.846 1.00 0.00 H new ATOM 733 N GLY A 55 13.002 -0.430 -4.921 1.00 0.00 N ATOM 734 CA GLY A 55 12.935 -1.366 -3.811 1.00 0.00 C ATOM 735 C GLY A 55 13.878 -2.549 -4.035 1.00 0.00 C ATOM 736 O GLY A 55 15.034 -2.515 -3.614 1.00 0.00 O ATOM 0 H GLY A 55 13.508 -0.772 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.199 -0.856 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.913 -1.727 -3.696 1.00 0.00 H new ATOM 740 N GLY A 56 13.351 -3.569 -4.696 1.00 0.00 N ATOM 741 CA GLY A 56 14.131 -4.761 -4.981 1.00 0.00 C ATOM 742 C GLY A 56 14.277 -5.632 -3.731 1.00 0.00 C ATOM 743 O GLY A 56 13.809 -6.769 -3.705 1.00 0.00 O ATOM 0 H GLY A 56 12.392 -3.594 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.650 -5.334 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.117 -4.476 -5.347 1.00 0.00 H new ATOM 747 N SER A 57 14.928 -5.065 -2.726 1.00 0.00 N ATOM 748 CA SER A 57 15.141 -5.775 -1.477 1.00 0.00 C ATOM 749 C SER A 57 16.192 -6.871 -1.671 1.00 0.00 C ATOM 750 O SER A 57 17.231 -6.863 -1.013 1.00 0.00 O ATOM 751 CB SER A 57 13.835 -6.379 -0.956 1.00 0.00 C ATOM 752 OG SER A 57 13.469 -5.845 0.313 1.00 0.00 O ATOM 0 H SER A 57 15.315 -4.122 -2.752 1.00 0.00 H new ATOM 0 HA SER A 57 15.501 -5.062 -0.736 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.036 -6.189 -1.673 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.942 -7.461 -0.877 1.00 0.00 H new ATOM 0 HG SER A 57 12.630 -6.254 0.610 1.00 0.00 H new ATOM 758 N GLY A 58 15.885 -7.787 -2.577 1.00 0.00 N ATOM 759 CA GLY A 58 16.789 -8.887 -2.866 1.00 0.00 C ATOM 760 C GLY A 58 16.107 -9.944 -3.736 1.00 0.00 C ATOM 761 O GLY A 58 15.376 -10.794 -3.229 1.00 0.00 O ATOM 0 H GLY A 58 15.022 -7.790 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.676 -8.509 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 58 17.125 -9.340 -1.934 1.00 0.00 H new ATOM 765 N PRO A 59 16.377 -9.855 -5.066 1.00 0.00 N ATOM 766 CA PRO A 59 15.797 -10.794 -6.012 1.00 0.00 C ATOM 767 C PRO A 59 16.490 -12.155 -5.928 1.00 0.00 C ATOM 768 O PRO A 59 15.828 -13.189 -5.854 1.00 0.00 O ATOM 769 CB PRO A 59 15.954 -10.130 -7.371 1.00 0.00 C ATOM 770 CG PRO A 59 17.025 -9.066 -7.194 1.00 0.00 C ATOM 771 CD PRO A 59 17.237 -8.862 -5.703 1.00 0.00 C ATOM 0 HA PRO A 59 14.748 -11.006 -5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.247 -10.856 -8.129 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.014 -9.687 -7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.954 -9.376 -7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.718 -8.133 -7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.282 -9.008 -5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.966 -7.851 -5.399 1.00 0.00 H new ATOM 779 N SER A 60 17.814 -12.111 -5.941 1.00 0.00 N ATOM 780 CA SER A 60 18.604 -13.329 -5.867 1.00 0.00 C ATOM 781 C SER A 60 18.462 -14.125 -7.166 1.00 0.00 C ATOM 782 O SER A 60 19.447 -14.367 -7.861 1.00 0.00 O ATOM 783 CB SER A 60 18.184 -14.186 -4.671 1.00 0.00 C ATOM 784 OG SER A 60 19.181 -15.144 -4.325 1.00 0.00 O ATOM 0 H SER A 60 18.360 -11.251 -6.002 1.00 0.00 H new ATOM 0 HA SER A 60 19.649 -13.051 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.988 -13.541 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.252 -14.701 -4.903 1.00 0.00 H new ATOM 0 HG SER A 60 18.876 -15.670 -3.556 1.00 0.00 H new ATOM 790 N SER A 61 17.227 -14.509 -7.455 1.00 0.00 N ATOM 791 CA SER A 61 16.943 -15.272 -8.658 1.00 0.00 C ATOM 792 C SER A 61 17.651 -16.627 -8.598 1.00 0.00 C ATOM 793 O SER A 61 18.823 -16.736 -8.956 1.00 0.00 O ATOM 794 CB SER A 61 17.371 -14.505 -9.911 1.00 0.00 C ATOM 795 OG SER A 61 16.452 -13.468 -10.242 1.00 0.00 O ATOM 0 H SER A 61 16.412 -14.306 -6.876 1.00 0.00 H new ATOM 0 HA SER A 61 15.867 -15.434 -8.714 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.360 -14.076 -9.753 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.454 -15.197 -10.749 1.00 0.00 H new ATOM 0 HG SER A 61 16.761 -13.001 -11.046 1.00 0.00 H new ATOM 801 N GLY A 62 16.910 -17.626 -8.141 1.00 0.00 N ATOM 802 CA GLY A 62 17.452 -18.970 -8.029 1.00 0.00 C ATOM 803 C GLY A 62 18.812 -18.955 -7.327 1.00 0.00 C ATOM 804 O GLY A 62 19.632 -19.847 -7.537 1.00 0.00 O ATOM 0 H GLY A 62 15.939 -17.532 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 62 16.758 -19.601 -7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 62 17.556 -19.408 -9.022 1.00 0.00 H new TER 808 GLY A 62