USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 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 26 ASN : amide:sc= 0.939 K(o=2.1,f=-6.3!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -177:sc= 1.18 (180deg=0) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 174:sc= 0.765 (180deg=0) USER MOD Set 2.2: A 57 THR OG1 : rot 75:sc= 1.56 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0894 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 21 SER OG : rot 180:sc= 0.686 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.435 K(o=0.43,f=-4!) USER MOD Single : A 35 THR OG1 : rot 177:sc= 0.846 USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.751 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 169:sc=-3.99e-05 (180deg=-0.157) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0138 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.388 -5.520 0.069 1.00 0.00 N ATOM 2 CA GLY A 1 38.208 -5.504 -1.165 1.00 0.00 C ATOM 3 C GLY A 1 37.757 -4.423 -2.143 1.00 0.00 C ATOM 4 O GLY A 1 37.008 -3.519 -1.755 1.00 0.00 O ATOM 0 H1 GLY A 1 38.009 -5.447 0.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.729 -4.716 0.058 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.849 -6.408 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 39.253 -5.341 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.150 -6.478 -1.651 1.00 0.00 H new ATOM 10 N PRO A 2 38.202 -4.473 -3.419 1.00 0.00 N ATOM 11 CA PRO A 2 37.865 -3.475 -4.443 1.00 0.00 C ATOM 12 C PRO A 2 36.362 -3.385 -4.745 1.00 0.00 C ATOM 13 O PRO A 2 35.648 -4.391 -4.718 1.00 0.00 O ATOM 14 CB PRO A 2 38.655 -3.885 -5.694 1.00 0.00 C ATOM 15 CG PRO A 2 39.826 -4.696 -5.140 1.00 0.00 C ATOM 16 CD PRO A 2 39.195 -5.403 -3.943 1.00 0.00 C ATOM 0 HA PRO A 2 38.129 -2.478 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 2 38.045 -4.478 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 2 39.000 -3.014 -6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 2 40.213 -5.404 -5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 2 40.658 -4.058 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 2 38.732 -6.343 -4.242 1.00 0.00 H new ATOM 0 HD3 PRO A 2 39.945 -5.642 -3.189 1.00 0.00 H new ATOM 24 N GLY A 3 35.880 -2.183 -5.080 1.00 0.00 N ATOM 25 CA GLY A 3 34.480 -1.931 -5.456 1.00 0.00 C ATOM 26 C GLY A 3 34.136 -2.390 -6.879 1.00 0.00 C ATOM 27 O GLY A 3 34.927 -2.200 -7.810 1.00 0.00 O ATOM 0 H GLY A 3 36.459 -1.343 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 3 33.825 -2.441 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 3 34.275 -0.864 -5.367 1.00 0.00 H new ATOM 31 N SER A 4 32.952 -2.986 -7.053 1.00 0.00 N ATOM 32 CA SER A 4 32.401 -3.436 -8.344 1.00 0.00 C ATOM 33 C SER A 4 30.869 -3.514 -8.307 1.00 0.00 C ATOM 34 O SER A 4 30.272 -3.679 -7.238 1.00 0.00 O ATOM 35 CB SER A 4 32.993 -4.801 -8.715 1.00 0.00 C ATOM 36 OG SER A 4 32.689 -5.120 -10.063 1.00 0.00 O ATOM 0 H SER A 4 32.324 -3.177 -6.272 1.00 0.00 H new ATOM 0 HA SER A 4 32.676 -2.703 -9.103 1.00 0.00 H new ATOM 0 HB2 SER A 4 34.074 -4.787 -8.572 1.00 0.00 H new ATOM 0 HB3 SER A 4 32.594 -5.570 -8.053 1.00 0.00 H new ATOM 0 HG SER A 4 33.074 -5.993 -10.287 1.00 0.00 H new ATOM 42 N TYR A 5 30.216 -3.398 -9.466 1.00 0.00 N ATOM 43 CA TYR A 5 28.757 -3.501 -9.601 1.00 0.00 C ATOM 44 C TYR A 5 28.253 -4.956 -9.537 1.00 0.00 C ATOM 45 O TYR A 5 28.927 -5.892 -9.981 1.00 0.00 O ATOM 46 CB TYR A 5 28.308 -2.805 -10.900 1.00 0.00 C ATOM 47 CG TYR A 5 26.810 -2.837 -11.129 1.00 0.00 C ATOM 48 CD1 TYR A 5 25.965 -1.961 -10.422 1.00 0.00 C ATOM 49 CD2 TYR A 5 26.256 -3.790 -12.010 1.00 0.00 C ATOM 50 CE1 TYR A 5 24.569 -2.033 -10.586 1.00 0.00 C ATOM 51 CE2 TYR A 5 24.862 -3.872 -12.174 1.00 0.00 C ATOM 52 CZ TYR A 5 24.014 -2.998 -11.459 1.00 0.00 C ATOM 53 OH TYR A 5 22.667 -3.071 -11.625 1.00 0.00 O ATOM 0 H TYR A 5 30.692 -3.227 -10.352 1.00 0.00 H new ATOM 0 HA TYR A 5 28.307 -2.994 -8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 5 28.640 -1.767 -10.878 1.00 0.00 H new ATOM 0 HB3 TYR A 5 28.805 -3.280 -11.746 1.00 0.00 H new ATOM 0 HD1 TYR A 5 26.390 -1.230 -9.750 1.00 0.00 H new ATOM 0 HD2 TYR A 5 26.904 -4.457 -12.559 1.00 0.00 H new ATOM 0 HE1 TYR A 5 23.924 -1.354 -10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 5 24.440 -4.604 -12.847 1.00 0.00 H new ATOM 0 HH TYR A 5 22.454 -3.787 -12.259 1.00 0.00 H new ATOM 63 N THR A 6 27.028 -5.141 -9.030 1.00 0.00 N ATOM 64 CA THR A 6 26.266 -6.401 -9.090 1.00 0.00 C ATOM 65 C THR A 6 24.758 -6.124 -9.202 1.00 0.00 C ATOM 66 O THR A 6 24.266 -5.100 -8.712 1.00 0.00 O ATOM 67 CB THR A 6 26.601 -7.308 -7.893 1.00 0.00 C ATOM 68 OG1 THR A 6 26.064 -8.601 -8.082 1.00 0.00 O ATOM 69 CG2 THR A 6 26.103 -6.783 -6.542 1.00 0.00 C ATOM 0 H THR A 6 26.521 -4.397 -8.551 1.00 0.00 H new ATOM 0 HA THR A 6 26.563 -6.939 -9.990 1.00 0.00 H new ATOM 0 HB THR A 6 27.690 -7.328 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 6 26.288 -9.164 -7.312 1.00 0.00 H new ATOM 0 HG21 THR A 6 26.382 -7.483 -5.754 1.00 0.00 H new ATOM 0 HG22 THR A 6 26.554 -5.811 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 6 25.018 -6.681 -6.569 1.00 0.00 H new ATOM 77 N GLY A 7 24.019 -7.026 -9.856 1.00 0.00 N ATOM 78 CA GLY A 7 22.577 -6.878 -10.122 1.00 0.00 C ATOM 79 C GLY A 7 21.683 -7.026 -8.880 1.00 0.00 C ATOM 80 O GLY A 7 22.050 -7.693 -7.905 1.00 0.00 O ATOM 0 H GLY A 7 24.408 -7.894 -10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.401 -5.899 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.278 -7.622 -10.860 1.00 0.00 H new ATOM 84 N ALA A 8 20.496 -6.414 -8.933 1.00 0.00 N ATOM 85 CA ALA A 8 19.514 -6.344 -7.840 1.00 0.00 C ATOM 86 C ALA A 8 18.148 -7.002 -8.161 1.00 0.00 C ATOM 87 O ALA A 8 17.226 -6.957 -7.341 1.00 0.00 O ATOM 88 CB ALA A 8 19.375 -4.867 -7.437 1.00 0.00 C ATOM 0 H ALA A 8 20.177 -5.932 -9.774 1.00 0.00 H new ATOM 0 HA ALA A 8 19.884 -6.938 -7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 8 18.652 -4.778 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 8 20.342 -4.488 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 8 19.033 -4.287 -8.294 1.00 0.00 H new ATOM 94 N GLY A 9 17.995 -7.617 -9.344 1.00 0.00 N ATOM 95 CA GLY A 9 16.756 -8.253 -9.800 1.00 0.00 C ATOM 96 C GLY A 9 15.643 -7.265 -10.186 1.00 0.00 C ATOM 97 O GLY A 9 15.908 -6.151 -10.652 1.00 0.00 O ATOM 0 H GLY A 9 18.751 -7.686 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.980 -8.884 -10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 9 16.386 -8.909 -9.012 1.00 0.00 H new ATOM 101 N GLU A 10 14.390 -7.682 -10.006 1.00 0.00 N ATOM 102 CA GLU A 10 13.167 -6.929 -10.330 1.00 0.00 C ATOM 103 C GLU A 10 12.119 -7.016 -9.192 1.00 0.00 C ATOM 104 O GLU A 10 12.159 -7.965 -8.396 1.00 0.00 O ATOM 105 CB GLU A 10 12.596 -7.425 -11.673 1.00 0.00 C ATOM 106 CG GLU A 10 12.238 -8.917 -11.693 1.00 0.00 C ATOM 107 CD GLU A 10 11.441 -9.274 -12.959 1.00 0.00 C ATOM 108 OE1 GLU A 10 12.022 -9.353 -14.070 1.00 0.00 O ATOM 109 OE2 GLU A 10 10.204 -9.471 -12.870 1.00 0.00 O ATOM 0 H GLU A 10 14.184 -8.600 -9.611 1.00 0.00 H new ATOM 0 HA GLU A 10 13.423 -5.874 -10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.704 -6.846 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.324 -7.227 -12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.149 -9.514 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.653 -9.166 -10.808 1.00 0.00 H new ATOM 116 N PRO A 11 11.152 -6.074 -9.096 1.00 0.00 N ATOM 117 CA PRO A 11 10.073 -6.106 -8.101 1.00 0.00 C ATOM 118 C PRO A 11 9.021 -7.185 -8.436 1.00 0.00 C ATOM 119 O PRO A 11 7.961 -6.912 -9.007 1.00 0.00 O ATOM 120 CB PRO A 11 9.514 -4.676 -8.066 1.00 0.00 C ATOM 121 CG PRO A 11 9.748 -4.185 -9.495 1.00 0.00 C ATOM 122 CD PRO A 11 11.080 -4.835 -9.862 1.00 0.00 C ATOM 0 HA PRO A 11 10.426 -6.394 -7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.457 -4.662 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.034 -4.056 -7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.947 -4.497 -10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.801 -3.097 -9.545 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.134 -5.035 -10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.914 -4.177 -9.618 1.00 0.00 H new ATOM 130 N SER A 12 9.329 -8.435 -8.079 1.00 0.00 N ATOM 131 CA SER A 12 8.454 -9.601 -8.270 1.00 0.00 C ATOM 132 C SER A 12 7.159 -9.497 -7.457 1.00 0.00 C ATOM 133 O SER A 12 7.168 -9.083 -6.293 1.00 0.00 O ATOM 134 CB SER A 12 9.207 -10.881 -7.888 1.00 0.00 C ATOM 135 OG SER A 12 8.358 -12.016 -7.989 1.00 0.00 O ATOM 0 H SER A 12 10.217 -8.673 -7.637 1.00 0.00 H new ATOM 0 HA SER A 12 8.175 -9.631 -9.323 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.071 -11.008 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.587 -10.795 -6.870 1.00 0.00 H new ATOM 0 HG SER A 12 8.858 -12.822 -7.743 1.00 0.00 H new ATOM 141 N GLN A 13 6.044 -9.955 -8.038 1.00 0.00 N ATOM 142 CA GLN A 13 4.762 -10.079 -7.334 1.00 0.00 C ATOM 143 C GLN A 13 4.834 -10.997 -6.099 1.00 0.00 C ATOM 144 O GLN A 13 4.077 -10.801 -5.153 1.00 0.00 O ATOM 145 CB GLN A 13 3.657 -10.523 -8.308 1.00 0.00 C ATOM 146 CG GLN A 13 3.857 -11.942 -8.874 1.00 0.00 C ATOM 147 CD GLN A 13 2.795 -12.354 -9.900 1.00 0.00 C ATOM 148 OE1 GLN A 13 1.891 -11.606 -10.270 1.00 0.00 O ATOM 149 NE2 GLN A 13 2.865 -13.564 -10.416 1.00 0.00 N ATOM 0 H GLN A 13 6.005 -10.251 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 13 4.512 -9.090 -6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.696 -10.479 -7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.610 -9.815 -9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.841 -12.002 -9.339 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.850 -12.656 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.606 -14.201 -10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.178 -13.864 -11.108 1.00 0.00 H new ATOM 158 N ALA A 14 5.774 -11.953 -6.073 1.00 0.00 N ATOM 159 CA ALA A 14 5.975 -12.856 -4.937 1.00 0.00 C ATOM 160 C ALA A 14 6.706 -12.169 -3.766 1.00 0.00 C ATOM 161 O ALA A 14 6.379 -12.403 -2.602 1.00 0.00 O ATOM 162 CB ALA A 14 6.713 -14.104 -5.432 1.00 0.00 C ATOM 0 H ALA A 14 6.419 -12.120 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 14 5.005 -13.149 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.871 -14.788 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.117 -14.599 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.676 -13.815 -5.852 1.00 0.00 H new ATOM 168 N ASP A 15 7.644 -11.270 -4.076 1.00 0.00 N ATOM 169 CA ASP A 15 8.350 -10.443 -3.090 1.00 0.00 C ATOM 170 C ASP A 15 7.455 -9.325 -2.534 1.00 0.00 C ATOM 171 O ASP A 15 7.490 -9.011 -1.342 1.00 0.00 O ATOM 172 CB ASP A 15 9.626 -9.875 -3.729 1.00 0.00 C ATOM 173 CG ASP A 15 10.458 -9.070 -2.715 1.00 0.00 C ATOM 174 OD1 ASP A 15 11.075 -9.686 -1.813 1.00 0.00 O ATOM 175 OD2 ASP A 15 10.517 -7.823 -2.827 1.00 0.00 O ATOM 0 H ASP A 15 7.940 -11.092 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 15 8.623 -11.069 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.228 -10.691 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.359 -9.236 -4.570 1.00 0.00 H new ATOM 180 N LEU A 16 6.589 -8.785 -3.389 1.00 0.00 N ATOM 181 CA LEU A 16 5.567 -7.806 -3.026 1.00 0.00 C ATOM 182 C LEU A 16 4.475 -8.430 -2.158 1.00 0.00 C ATOM 183 O LEU A 16 4.106 -7.837 -1.152 1.00 0.00 O ATOM 184 CB LEU A 16 4.977 -7.179 -4.298 1.00 0.00 C ATOM 185 CG LEU A 16 5.941 -6.218 -5.016 1.00 0.00 C ATOM 186 CD1 LEU A 16 5.484 -5.984 -6.452 1.00 0.00 C ATOM 187 CD2 LEU A 16 5.989 -4.860 -4.311 1.00 0.00 C ATOM 0 H LEU A 16 6.579 -9.023 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 16 6.034 -7.022 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.691 -7.975 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.066 -6.640 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 16 6.929 -6.678 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.175 -5.302 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.465 -6.933 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.485 -5.549 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.678 -4.200 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.993 -4.417 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.331 -4.995 -3.285 1.00 0.00 H new ATOM 199 N ASP A 17 3.993 -9.636 -2.472 1.00 0.00 N ATOM 200 CA ASP A 17 2.994 -10.337 -1.648 1.00 0.00 C ATOM 201 C ASP A 17 3.489 -10.583 -0.214 1.00 0.00 C ATOM 202 O ASP A 17 2.741 -10.373 0.742 1.00 0.00 O ATOM 203 CB ASP A 17 2.633 -11.677 -2.309 1.00 0.00 C ATOM 204 CG ASP A 17 1.513 -12.402 -1.539 1.00 0.00 C ATOM 205 OD1 ASP A 17 0.401 -11.833 -1.429 1.00 0.00 O ATOM 206 OD2 ASP A 17 1.744 -13.534 -1.050 1.00 0.00 O ATOM 0 H ASP A 17 4.281 -10.156 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 17 2.113 -9.698 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.316 -11.503 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.517 -12.313 -2.352 1.00 0.00 H new ATOM 211 N ALA A 18 4.762 -10.955 -0.056 1.00 0.00 N ATOM 212 CA ALA A 18 5.381 -11.171 1.256 1.00 0.00 C ATOM 213 C ALA A 18 5.411 -9.887 2.109 1.00 0.00 C ATOM 214 O ALA A 18 5.147 -9.928 3.315 1.00 0.00 O ATOM 215 CB ALA A 18 6.803 -11.709 1.046 1.00 0.00 C ATOM 0 H ALA A 18 5.396 -11.116 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 18 4.779 -11.895 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.276 -11.874 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.759 -12.650 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.386 -10.985 0.477 1.00 0.00 H new ATOM 221 N LEU A 19 5.680 -8.744 1.473 1.00 0.00 N ATOM 222 CA LEU A 19 5.652 -7.427 2.112 1.00 0.00 C ATOM 223 C LEU A 19 4.213 -7.003 2.458 1.00 0.00 C ATOM 224 O LEU A 19 3.921 -6.618 3.589 1.00 0.00 O ATOM 225 CB LEU A 19 6.300 -6.409 1.147 1.00 0.00 C ATOM 226 CG LEU A 19 6.494 -5.007 1.743 1.00 0.00 C ATOM 227 CD1 LEU A 19 7.813 -4.921 2.514 1.00 0.00 C ATOM 228 CD2 LEU A 19 6.484 -3.968 0.624 1.00 0.00 C ATOM 0 H LEU A 19 5.927 -8.708 0.484 1.00 0.00 H new ATOM 0 HA LEU A 19 6.208 -7.466 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.269 -6.793 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.681 -6.329 0.253 1.00 0.00 H new ATOM 0 HG LEU A 19 5.676 -4.809 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.928 -3.919 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.809 -5.649 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.643 -5.133 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.622 -2.974 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.293 -4.179 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.530 -4.009 0.098 1.00 0.00 H new ATOM 240 N LEU A 20 3.306 -7.104 1.481 1.00 0.00 N ATOM 241 CA LEU A 20 1.927 -6.625 1.553 1.00 0.00 C ATOM 242 C LEU A 20 1.091 -7.410 2.580 1.00 0.00 C ATOM 243 O LEU A 20 0.367 -6.805 3.368 1.00 0.00 O ATOM 244 CB LEU A 20 1.296 -6.721 0.154 1.00 0.00 C ATOM 245 CG LEU A 20 1.829 -5.674 -0.848 1.00 0.00 C ATOM 246 CD1 LEU A 20 1.494 -6.076 -2.285 1.00 0.00 C ATOM 247 CD2 LEU A 20 1.199 -4.305 -0.614 1.00 0.00 C ATOM 0 H LEU A 20 3.524 -7.539 0.584 1.00 0.00 H new ATOM 0 HA LEU A 20 1.938 -5.588 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.477 -7.718 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.216 -6.605 0.245 1.00 0.00 H new ATOM 0 HG LEU A 20 2.907 -5.626 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.880 -5.323 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.951 -7.040 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.413 -6.152 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.597 -3.593 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.118 -4.377 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.431 -3.965 0.395 1.00 0.00 H new ATOM 259 N SER A 21 1.213 -8.745 2.637 1.00 0.00 N ATOM 260 CA SER A 21 0.490 -9.550 3.639 1.00 0.00 C ATOM 261 C SER A 21 0.890 -9.187 5.078 1.00 0.00 C ATOM 262 O SER A 21 0.052 -9.211 5.983 1.00 0.00 O ATOM 263 CB SER A 21 0.696 -11.054 3.407 1.00 0.00 C ATOM 264 OG SER A 21 -0.560 -11.717 3.447 1.00 0.00 O ATOM 0 H SER A 21 1.801 -9.289 2.006 1.00 0.00 H new ATOM 0 HA SER A 21 -0.567 -9.314 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.177 -11.221 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.359 -11.463 4.169 1.00 0.00 H new ATOM 0 HG SER A 21 -0.428 -12.676 3.297 1.00 0.00 H new ATOM 270 N ALA A 22 2.149 -8.791 5.300 1.00 0.00 N ATOM 271 CA ALA A 22 2.639 -8.392 6.618 1.00 0.00 C ATOM 272 C ALA A 22 2.072 -7.030 7.055 1.00 0.00 C ATOM 273 O ALA A 22 1.741 -6.856 8.225 1.00 0.00 O ATOM 274 CB ALA A 22 4.171 -8.425 6.602 1.00 0.00 C ATOM 0 H ALA A 22 2.856 -8.739 4.566 1.00 0.00 H new ATOM 0 HA ALA A 22 2.285 -9.098 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.552 -8.129 7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.511 -9.434 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.542 -7.735 5.844 1.00 0.00 H new ATOM 280 N VAL A 23 1.889 -6.070 6.137 1.00 0.00 N ATOM 281 CA VAL A 23 1.283 -4.760 6.473 1.00 0.00 C ATOM 282 C VAL A 23 -0.237 -4.830 6.580 1.00 0.00 C ATOM 283 O VAL A 23 -0.820 -4.172 7.446 1.00 0.00 O ATOM 284 CB VAL A 23 1.788 -3.637 5.543 1.00 0.00 C ATOM 285 CG1 VAL A 23 1.605 -3.943 4.068 1.00 0.00 C ATOM 286 CG2 VAL A 23 1.151 -2.274 5.817 1.00 0.00 C ATOM 0 H VAL A 23 2.149 -6.169 5.156 1.00 0.00 H new ATOM 0 HA VAL A 23 1.626 -4.494 7.473 1.00 0.00 H new ATOM 0 HB VAL A 23 2.852 -3.590 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.982 -3.110 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.155 -4.849 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.546 -4.090 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.556 -1.537 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.072 -2.343 5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.370 -1.969 6.840 1.00 0.00 H new ATOM 296 N ARG A 24 -0.891 -5.698 5.800 1.00 0.00 N ATOM 297 CA ARG A 24 -2.341 -5.942 5.883 1.00 0.00 C ATOM 298 C ARG A 24 -2.773 -6.672 7.162 1.00 0.00 C ATOM 299 O ARG A 24 -3.891 -6.452 7.633 1.00 0.00 O ATOM 300 CB ARG A 24 -2.801 -6.673 4.604 1.00 0.00 C ATOM 301 CG ARG A 24 -4.279 -6.465 4.227 1.00 0.00 C ATOM 302 CD ARG A 24 -4.646 -4.978 4.067 1.00 0.00 C ATOM 303 NE ARG A 24 -5.868 -4.773 3.264 1.00 0.00 N ATOM 304 CZ ARG A 24 -7.117 -5.040 3.601 1.00 0.00 C ATOM 305 NH1 ARG A 24 -7.450 -5.529 4.765 1.00 0.00 N ATOM 306 NH2 ARG A 24 -8.075 -4.818 2.751 1.00 0.00 N ATOM 0 H ARG A 24 -0.426 -6.258 5.085 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.841 -4.975 5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.180 -6.341 3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.621 -7.741 4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.490 -6.990 3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.912 -6.911 4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.786 -4.535 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.815 -4.452 3.597 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.731 -4.376 2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.731 -5.722 5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.430 -5.718 4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.861 -4.439 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.041 -5.023 3.007 1.00 0.00 H new ATOM 320 N ASP A 25 -1.872 -7.452 7.766 1.00 0.00 N ATOM 321 CA ASP A 25 -2.015 -8.046 9.104 1.00 0.00 C ATOM 322 C ASP A 25 -1.432 -7.180 10.242 1.00 0.00 C ATOM 323 O ASP A 25 -1.355 -7.624 11.393 1.00 0.00 O ATOM 324 CB ASP A 25 -1.416 -9.468 9.115 1.00 0.00 C ATOM 325 CG ASP A 25 -2.066 -10.477 8.147 1.00 0.00 C ATOM 326 OD1 ASP A 25 -3.166 -10.218 7.594 1.00 0.00 O ATOM 327 OD2 ASP A 25 -1.510 -11.596 8.003 1.00 0.00 O ATOM 0 H ASP A 25 -0.988 -7.698 7.321 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.084 -8.099 9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.355 -9.397 8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.490 -9.865 10.127 1.00 0.00 H new ATOM 332 N ASN A 26 -1.019 -5.940 9.947 1.00 0.00 N ATOM 333 CA ASN A 26 -0.440 -4.963 10.882 1.00 0.00 C ATOM 334 C ASN A 26 0.849 -5.440 11.597 1.00 0.00 C ATOM 335 O ASN A 26 1.173 -4.975 12.695 1.00 0.00 O ATOM 336 CB ASN A 26 -1.553 -4.422 11.802 1.00 0.00 C ATOM 337 CG ASN A 26 -1.158 -3.149 12.533 1.00 0.00 C ATOM 338 OD1 ASN A 26 -0.732 -2.170 11.934 1.00 0.00 O ATOM 339 ND2 ASN A 26 -1.293 -3.108 13.840 1.00 0.00 N ATOM 0 H ASN A 26 -1.083 -5.571 8.998 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.055 -4.120 10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.446 -4.230 11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.815 -5.187 12.533 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.043 -2.262 14.352 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.648 -3.922 14.342 1.00 0.00 H new ATOM 346 N ARG A 27 1.612 -6.348 10.969 1.00 0.00 N ATOM 347 CA ARG A 27 2.975 -6.735 11.391 1.00 0.00 C ATOM 348 C ARG A 27 4.046 -5.769 10.864 1.00 0.00 C ATOM 349 O ARG A 27 5.126 -5.676 11.451 1.00 0.00 O ATOM 350 CB ARG A 27 3.298 -8.171 10.934 1.00 0.00 C ATOM 351 CG ARG A 27 2.296 -9.280 11.310 1.00 0.00 C ATOM 352 CD ARG A 27 1.956 -9.355 12.806 1.00 0.00 C ATOM 353 NE ARG A 27 0.717 -8.613 13.112 1.00 0.00 N ATOM 354 CZ ARG A 27 0.263 -8.214 14.280 1.00 0.00 C ATOM 355 NH1 ARG A 27 0.912 -8.408 15.394 1.00 0.00 N ATOM 356 NH2 ARG A 27 -0.888 -7.611 14.333 1.00 0.00 N ATOM 0 H ARG A 27 1.296 -6.846 10.137 1.00 0.00 H new ATOM 0 HA ARG A 27 2.993 -6.687 12.480 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.400 -8.164 9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.271 -8.444 11.344 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.375 -9.124 10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.703 -10.241 10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.841 -10.397 13.103 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.781 -8.946 13.390 1.00 0.00 H new ATOM 0 HE ARG A 27 0.134 -8.378 12.309 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.812 -8.887 15.383 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.520 -8.080 16.277 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.422 -7.455 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.257 -7.294 15.230 1.00 0.00 H new ATOM 370 N LEU A 28 3.751 -5.055 9.772 1.00 0.00 N ATOM 371 CA LEU A 28 4.647 -4.143 9.046 1.00 0.00 C ATOM 372 C LEU A 28 3.946 -2.769 8.908 1.00 0.00 C ATOM 373 O LEU A 28 2.723 -2.714 8.750 1.00 0.00 O ATOM 374 CB LEU A 28 4.968 -4.855 7.707 1.00 0.00 C ATOM 375 CG LEU A 28 6.259 -4.515 6.947 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.368 -3.052 6.596 1.00 0.00 C ATOM 377 CD2 LEU A 28 7.516 -4.909 7.720 1.00 0.00 C ATOM 0 H LEU A 28 2.826 -5.100 9.345 1.00 0.00 H new ATOM 0 HA LEU A 28 5.589 -3.931 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.981 -5.927 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.134 -4.665 7.031 1.00 0.00 H new ATOM 0 HG LEU A 28 6.194 -5.101 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.301 -2.875 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.527 -2.766 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.355 -2.457 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.399 -4.646 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.539 -4.379 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.509 -5.983 7.903 1.00 0.00 H new ATOM 389 N SER A 29 4.677 -1.652 9.001 1.00 0.00 N ATOM 390 CA SER A 29 4.129 -0.280 8.889 1.00 0.00 C ATOM 391 C SER A 29 4.148 0.276 7.449 1.00 0.00 C ATOM 392 O SER A 29 4.945 -0.167 6.620 1.00 0.00 O ATOM 393 CB SER A 29 4.863 0.680 9.831 1.00 0.00 C ATOM 394 OG SER A 29 4.748 0.257 11.180 1.00 0.00 O ATOM 0 H SER A 29 5.685 -1.668 9.159 1.00 0.00 H new ATOM 0 HA SER A 29 3.082 -0.354 9.184 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.915 0.735 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.452 1.684 9.725 1.00 0.00 H new ATOM 0 HG SER A 29 5.226 0.885 11.761 1.00 0.00 H new ATOM 400 N ILE A 30 3.323 1.290 7.152 1.00 0.00 N ATOM 401 CA ILE A 30 3.274 2.002 5.853 1.00 0.00 C ATOM 402 C ILE A 30 4.665 2.550 5.488 1.00 0.00 C ATOM 403 O ILE A 30 5.195 2.251 4.419 1.00 0.00 O ATOM 404 CB ILE A 30 2.240 3.161 5.922 1.00 0.00 C ATOM 405 CG1 ILE A 30 0.817 2.704 6.314 1.00 0.00 C ATOM 406 CG2 ILE A 30 2.204 3.962 4.604 1.00 0.00 C ATOM 407 CD1 ILE A 30 0.122 1.785 5.303 1.00 0.00 C ATOM 0 H ILE A 30 2.648 1.654 7.825 1.00 0.00 H new ATOM 0 HA ILE A 30 2.966 1.299 5.079 1.00 0.00 H new ATOM 0 HB ILE A 30 2.588 3.811 6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.870 2.188 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.197 3.588 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.471 4.765 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.188 4.388 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.927 3.300 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.869 1.522 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.029 2.300 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.712 0.878 5.170 1.00 0.00 H new ATOM 419 N GLU A 31 5.291 3.310 6.393 1.00 0.00 N ATOM 420 CA GLU A 31 6.592 3.955 6.137 1.00 0.00 C ATOM 421 C GLU A 31 7.723 2.920 5.980 1.00 0.00 C ATOM 422 O GLU A 31 8.644 3.105 5.183 1.00 0.00 O ATOM 423 CB GLU A 31 6.950 4.904 7.294 1.00 0.00 C ATOM 424 CG GLU A 31 5.933 6.032 7.539 1.00 0.00 C ATOM 425 CD GLU A 31 5.771 6.971 6.325 1.00 0.00 C ATOM 426 OE1 GLU A 31 6.748 7.670 5.965 1.00 0.00 O ATOM 427 OE2 GLU A 31 4.658 7.032 5.750 1.00 0.00 O ATOM 0 H GLU A 31 4.915 3.498 7.322 1.00 0.00 H new ATOM 0 HA GLU A 31 6.497 4.512 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.050 4.319 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.924 5.349 7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.965 5.594 7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.248 6.616 8.404 1.00 0.00 H new ATOM 434 N GLN A 32 7.621 1.794 6.692 1.00 0.00 N ATOM 435 CA GLN A 32 8.549 0.667 6.592 1.00 0.00 C ATOM 436 C GLN A 32 8.419 -0.041 5.236 1.00 0.00 C ATOM 437 O GLN A 32 9.422 -0.265 4.564 1.00 0.00 O ATOM 438 CB GLN A 32 8.281 -0.310 7.746 1.00 0.00 C ATOM 439 CG GLN A 32 8.663 0.225 9.133 1.00 0.00 C ATOM 440 CD GLN A 32 8.298 -0.752 10.260 1.00 0.00 C ATOM 441 OE1 GLN A 32 7.465 -1.639 10.119 1.00 0.00 O ATOM 442 NE2 GLN A 32 8.888 -0.618 11.428 1.00 0.00 N ATOM 0 H GLN A 32 6.874 1.639 7.369 1.00 0.00 H new ATOM 0 HA GLN A 32 9.570 1.041 6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.222 -0.568 7.749 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.833 -1.232 7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.735 0.423 9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.159 1.176 9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.585 0.114 11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.649 -1.246 12.195 1.00 0.00 H new ATOM 451 N ALA A 33 7.198 -0.323 4.772 1.00 0.00 N ATOM 452 CA ALA A 33 6.973 -0.936 3.458 1.00 0.00 C ATOM 453 C ALA A 33 7.408 -0.030 2.285 1.00 0.00 C ATOM 454 O ALA A 33 7.813 -0.538 1.241 1.00 0.00 O ATOM 455 CB ALA A 33 5.506 -1.367 3.369 1.00 0.00 C ATOM 0 H ALA A 33 6.341 -0.134 5.293 1.00 0.00 H new ATOM 0 HA ALA A 33 7.609 -1.816 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.320 -1.825 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.290 -2.088 4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.863 -0.495 3.488 1.00 0.00 H new ATOM 461 N VAL A 34 7.425 1.297 2.467 1.00 0.00 N ATOM 462 CA VAL A 34 7.982 2.261 1.506 1.00 0.00 C ATOM 463 C VAL A 34 9.513 2.273 1.557 1.00 0.00 C ATOM 464 O VAL A 34 10.152 2.268 0.504 1.00 0.00 O ATOM 465 CB VAL A 34 7.391 3.663 1.754 1.00 0.00 C ATOM 466 CG1 VAL A 34 8.036 4.745 0.872 1.00 0.00 C ATOM 467 CG2 VAL A 34 5.885 3.683 1.461 1.00 0.00 C ATOM 0 H VAL A 34 7.044 1.740 3.303 1.00 0.00 H new ATOM 0 HA VAL A 34 7.700 1.950 0.500 1.00 0.00 H new ATOM 0 HB VAL A 34 7.593 3.881 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.581 5.711 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.105 4.793 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.880 4.499 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.492 4.683 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.713 3.410 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.378 2.970 2.111 1.00 0.00 H new ATOM 477 N THR A 35 10.132 2.225 2.744 1.00 0.00 N ATOM 478 CA THR A 35 11.605 2.252 2.853 1.00 0.00 C ATOM 479 C THR A 35 12.263 0.928 2.443 1.00 0.00 C ATOM 480 O THR A 35 13.354 0.929 1.882 1.00 0.00 O ATOM 481 CB THR A 35 12.079 2.759 4.228 1.00 0.00 C ATOM 482 OG1 THR A 35 13.313 3.419 4.062 1.00 0.00 O ATOM 483 CG2 THR A 35 12.286 1.690 5.299 1.00 0.00 C ATOM 0 H THR A 35 9.645 2.168 3.638 1.00 0.00 H new ATOM 0 HA THR A 35 11.950 2.983 2.122 1.00 0.00 H new ATOM 0 HB THR A 35 11.273 3.402 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.603 3.790 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.619 2.161 6.224 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.347 1.166 5.477 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.040 0.979 4.962 1.00 0.00 H new ATOM 491 N LEU A 36 11.580 -0.204 2.639 1.00 0.00 N ATOM 492 CA LEU A 36 12.033 -1.520 2.168 1.00 0.00 C ATOM 493 C LEU A 36 11.819 -1.720 0.652 1.00 0.00 C ATOM 494 O LEU A 36 12.494 -2.553 0.045 1.00 0.00 O ATOM 495 CB LEU A 36 11.359 -2.623 3.001 1.00 0.00 C ATOM 496 CG LEU A 36 11.719 -2.607 4.503 1.00 0.00 C ATOM 497 CD1 LEU A 36 11.026 -3.775 5.210 1.00 0.00 C ATOM 498 CD2 LEU A 36 13.224 -2.696 4.765 1.00 0.00 C ATOM 0 H LEU A 36 10.688 -0.235 3.134 1.00 0.00 H new ATOM 0 HA LEU A 36 13.112 -1.580 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.278 -2.527 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.634 -3.593 2.586 1.00 0.00 H new ATOM 0 HG LEU A 36 11.376 -1.649 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.281 -3.762 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.946 -3.680 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.357 -4.715 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.408 -2.680 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.612 -3.624 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.725 -1.848 4.298 1.00 0.00 H new ATOM 510 N LEU A 37 10.938 -0.930 0.024 1.00 0.00 N ATOM 511 CA LEU A 37 10.791 -0.856 -1.437 1.00 0.00 C ATOM 512 C LEU A 37 11.896 0.010 -2.078 1.00 0.00 C ATOM 513 O LEU A 37 12.428 -0.341 -3.131 1.00 0.00 O ATOM 514 CB LEU A 37 9.400 -0.279 -1.760 1.00 0.00 C ATOM 515 CG LEU A 37 9.026 -0.307 -3.257 1.00 0.00 C ATOM 516 CD1 LEU A 37 8.423 -1.655 -3.656 1.00 0.00 C ATOM 517 CD2 LEU A 37 8.000 0.785 -3.543 1.00 0.00 C ATOM 0 H LEU A 37 10.297 -0.314 0.524 1.00 0.00 H new ATOM 0 HA LEU A 37 10.890 -1.858 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.650 -0.838 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.357 0.751 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 37 9.937 -0.144 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.171 -1.641 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.146 -2.448 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.522 -1.838 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.734 0.767 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.107 0.612 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.424 1.757 -3.292 1.00 0.00 H new ATOM 529 N THR A 38 12.222 1.154 -1.465 1.00 0.00 N ATOM 530 CA THR A 38 13.013 2.233 -2.084 1.00 0.00 C ATOM 531 C THR A 38 14.533 2.065 -1.873 1.00 0.00 C ATOM 532 O THR A 38 15.002 2.192 -0.732 1.00 0.00 O ATOM 533 CB THR A 38 12.553 3.607 -1.559 1.00 0.00 C ATOM 534 OG1 THR A 38 11.157 3.759 -1.745 1.00 0.00 O ATOM 535 CG2 THR A 38 13.216 4.765 -2.307 1.00 0.00 C ATOM 0 H THR A 38 11.940 1.363 -0.507 1.00 0.00 H new ATOM 0 HA THR A 38 12.834 2.172 -3.157 1.00 0.00 H new ATOM 0 HB THR A 38 12.831 3.637 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.678 3.274 -1.041 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.860 5.712 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.298 4.703 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.963 4.706 -3.366 1.00 0.00 H new ATOM 543 N PRO A 39 15.344 1.846 -2.934 1.00 0.00 N ATOM 544 CA PRO A 39 16.799 1.708 -2.815 1.00 0.00 C ATOM 545 C PRO A 39 17.489 3.045 -2.505 1.00 0.00 C ATOM 546 O PRO A 39 17.019 4.118 -2.900 1.00 0.00 O ATOM 547 CB PRO A 39 17.265 1.105 -4.140 1.00 0.00 C ATOM 548 CG PRO A 39 16.254 1.645 -5.143 1.00 0.00 C ATOM 549 CD PRO A 39 14.954 1.670 -4.333 1.00 0.00 C ATOM 0 HA PRO A 39 17.067 1.067 -1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.281 1.413 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.260 0.015 -4.110 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.528 2.638 -5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.172 1.003 -6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 39 14.307 2.484 -4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.395 0.744 -4.467 1.00 0.00 H new ATOM 557 N ARG A 40 18.620 2.980 -1.791 1.00 0.00 N ATOM 558 CA ARG A 40 19.367 4.163 -1.305 1.00 0.00 C ATOM 559 C ARG A 40 20.368 4.708 -2.337 1.00 0.00 C ATOM 560 O ARG A 40 20.659 5.907 -2.349 1.00 0.00 O ATOM 561 CB ARG A 40 20.084 3.831 0.021 1.00 0.00 C ATOM 562 CG ARG A 40 19.157 3.691 1.245 1.00 0.00 C ATOM 563 CD ARG A 40 18.305 2.413 1.277 1.00 0.00 C ATOM 564 NE ARG A 40 17.680 2.241 2.597 1.00 0.00 N ATOM 565 CZ ARG A 40 16.439 2.541 2.948 1.00 0.00 C ATOM 566 NH1 ARG A 40 15.528 2.947 2.104 1.00 0.00 N ATOM 567 NH2 ARG A 40 16.061 2.436 4.186 1.00 0.00 N ATOM 0 H ARG A 40 19.054 2.095 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 40 18.635 4.953 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 40 20.637 2.900 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 40 20.816 4.612 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.766 3.725 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 40 18.491 4.553 1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.535 2.464 0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.928 1.548 1.048 1.00 0.00 H new ATOM 0 HE ARG A 40 18.271 1.844 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.757 3.047 1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.587 3.164 2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.722 2.121 4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.103 2.669 4.448 1.00 0.00 H new ATOM 581 N ARG A 41 20.884 3.843 -3.217 1.00 0.00 N ATOM 582 CA ARG A 41 21.866 4.167 -4.276 1.00 0.00 C ATOM 583 C ARG A 41 21.185 4.502 -5.607 1.00 0.00 C ATOM 584 O ARG A 41 20.197 3.874 -5.984 1.00 0.00 O ATOM 585 CB ARG A 41 22.879 3.018 -4.393 1.00 0.00 C ATOM 586 CG ARG A 41 24.060 3.378 -5.306 1.00 0.00 C ATOM 587 CD ARG A 41 25.194 2.370 -5.104 1.00 0.00 C ATOM 588 NE ARG A 41 26.341 2.633 -5.992 1.00 0.00 N ATOM 589 CZ ARG A 41 27.347 3.465 -5.784 1.00 0.00 C ATOM 590 NH1 ARG A 41 27.437 4.201 -4.706 1.00 0.00 N ATOM 591 NH2 ARG A 41 28.295 3.581 -6.670 1.00 0.00 N ATOM 0 H ARG A 41 20.623 2.857 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 41 22.408 5.071 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 41 23.253 2.763 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.378 2.132 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.740 3.376 -6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.411 4.385 -5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.526 2.403 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 41 24.819 1.363 -5.287 1.00 0.00 H new ATOM 0 HE ARG A 41 26.361 2.112 -6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.714 4.145 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 41 28.230 4.831 -4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 41 28.262 3.029 -7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 41 29.070 4.224 -6.507 1.00 0.00 H new ATOM 605 N GLY A 42 21.720 5.490 -6.325 1.00 0.00 N ATOM 606 CA GLY A 42 21.263 5.896 -7.662 1.00 0.00 C ATOM 607 C GLY A 42 19.934 6.672 -7.721 1.00 0.00 C ATOM 608 O GLY A 42 19.428 6.921 -8.818 1.00 0.00 O ATOM 0 H GLY A 42 22.505 6.047 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 42 22.039 6.511 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 21.165 5.001 -8.277 1.00 0.00 H new ATOM 612 N GLY A 43 19.366 7.051 -6.568 1.00 0.00 N ATOM 613 CA GLY A 43 18.088 7.770 -6.456 1.00 0.00 C ATOM 614 C GLY A 43 16.869 6.876 -6.730 1.00 0.00 C ATOM 615 O GLY A 43 16.370 6.817 -7.857 1.00 0.00 O ATOM 0 H GLY A 43 19.794 6.861 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.003 8.194 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.084 8.604 -7.157 1.00 0.00 H new ATOM 619 N GLY A 44 16.372 6.184 -5.698 1.00 0.00 N ATOM 620 CA GLY A 44 15.252 5.238 -5.797 1.00 0.00 C ATOM 621 C GLY A 44 13.855 5.854 -5.943 1.00 0.00 C ATOM 622 O GLY A 44 12.901 5.136 -6.239 1.00 0.00 O ATOM 0 H GLY A 44 16.744 6.267 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.430 4.585 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.257 4.607 -4.908 1.00 0.00 H new ATOM 626 N SER A 45 13.711 7.166 -5.735 1.00 0.00 N ATOM 627 CA SER A 45 12.424 7.888 -5.821 1.00 0.00 C ATOM 628 C SER A 45 11.947 8.081 -7.280 1.00 0.00 C ATOM 629 O SER A 45 12.766 8.129 -8.201 1.00 0.00 O ATOM 630 CB SER A 45 12.525 9.251 -5.121 1.00 0.00 C ATOM 631 OG SER A 45 12.731 9.091 -3.727 1.00 0.00 O ATOM 0 H SER A 45 14.495 7.773 -5.497 1.00 0.00 H new ATOM 0 HA SER A 45 11.683 7.270 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.346 9.825 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.613 9.822 -5.295 1.00 0.00 H new ATOM 0 HG SER A 45 12.794 9.972 -3.302 1.00 0.00 H new ATOM 637 N GLY A 46 10.645 8.221 -7.561 1.00 0.00 N ATOM 638 CA GLY A 46 9.500 8.297 -6.634 1.00 0.00 C ATOM 639 C GLY A 46 8.669 9.570 -6.810 1.00 0.00 C ATOM 640 O GLY A 46 8.947 10.399 -7.684 1.00 0.00 O ATOM 0 H GLY A 46 10.334 8.291 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.859 7.428 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.866 8.248 -5.609 1.00 0.00 H new ATOM 644 N GLY A 47 7.642 9.740 -5.975 1.00 0.00 N ATOM 645 CA GLY A 47 6.729 10.890 -5.997 1.00 0.00 C ATOM 646 C GLY A 47 5.685 10.857 -7.124 1.00 0.00 C ATOM 647 O GLY A 47 5.562 9.876 -7.864 1.00 0.00 O ATOM 0 H GLY A 47 7.414 9.065 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.210 10.943 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.318 11.803 -6.091 1.00 0.00 H new ATOM 651 N GLY A 48 4.916 11.945 -7.244 1.00 0.00 N ATOM 652 CA GLY A 48 3.809 12.078 -8.203 1.00 0.00 C ATOM 653 C GLY A 48 2.603 11.191 -7.876 1.00 0.00 C ATOM 654 O GLY A 48 2.454 10.700 -6.753 1.00 0.00 O ATOM 0 H GLY A 48 5.047 12.775 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.487 13.119 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.172 11.830 -9.200 1.00 0.00 H new ATOM 658 N SER A 49 1.728 10.976 -8.863 1.00 0.00 N ATOM 659 CA SER A 49 0.546 10.107 -8.739 1.00 0.00 C ATOM 660 C SER A 49 0.939 8.639 -8.541 1.00 0.00 C ATOM 661 O SER A 49 1.884 8.153 -9.171 1.00 0.00 O ATOM 662 CB SER A 49 -0.363 10.244 -9.970 1.00 0.00 C ATOM 663 OG SER A 49 -0.726 11.598 -10.193 1.00 0.00 O ATOM 0 H SER A 49 1.819 11.405 -9.784 1.00 0.00 H new ATOM 0 HA SER A 49 -0.001 10.433 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.150 9.853 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.261 9.642 -9.831 1.00 0.00 H new ATOM 0 HG SER A 49 -1.303 11.656 -10.983 1.00 0.00 H new ATOM 669 N MET A 50 0.206 7.931 -7.674 1.00 0.00 N ATOM 670 CA MET A 50 0.471 6.539 -7.264 1.00 0.00 C ATOM 671 C MET A 50 1.913 6.328 -6.763 1.00 0.00 C ATOM 672 O MET A 50 2.658 5.473 -7.247 1.00 0.00 O ATOM 673 CB MET A 50 0.029 5.526 -8.339 1.00 0.00 C ATOM 674 CG MET A 50 -1.489 5.497 -8.583 1.00 0.00 C ATOM 675 SD MET A 50 -2.233 6.888 -9.488 1.00 0.00 S ATOM 676 CE MET A 50 -1.457 6.690 -11.118 1.00 0.00 C ATOM 0 H MET A 50 -0.619 8.322 -7.220 1.00 0.00 H new ATOM 0 HA MET A 50 -0.156 6.339 -6.395 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.533 5.763 -9.276 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.358 4.530 -8.043 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.723 4.581 -9.126 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.982 5.427 -7.613 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.952 7.341 -11.838 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.402 6.956 -11.053 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.550 5.653 -11.442 1.00 0.00 H new ATOM 686 N ASP A 51 2.323 7.123 -5.770 1.00 0.00 N ATOM 687 CA ASP A 51 3.532 6.863 -4.972 1.00 0.00 C ATOM 688 C ASP A 51 3.307 5.696 -3.997 1.00 0.00 C ATOM 689 O ASP A 51 2.180 5.438 -3.568 1.00 0.00 O ATOM 690 CB ASP A 51 3.929 8.139 -4.216 1.00 0.00 C ATOM 691 CG ASP A 51 5.221 7.954 -3.413 1.00 0.00 C ATOM 692 OD1 ASP A 51 6.317 8.071 -4.007 1.00 0.00 O ATOM 693 OD2 ASP A 51 5.138 7.656 -2.197 1.00 0.00 O ATOM 0 H ASP A 51 1.826 7.969 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 51 4.344 6.578 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.058 8.956 -4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.122 8.427 -3.542 1.00 0.00 H new ATOM 698 N ALA A 52 4.380 4.997 -3.609 1.00 0.00 N ATOM 699 CA ALA A 52 4.323 3.839 -2.709 1.00 0.00 C ATOM 700 C ALA A 52 3.586 4.121 -1.387 1.00 0.00 C ATOM 701 O ALA A 52 2.815 3.273 -0.932 1.00 0.00 O ATOM 702 CB ALA A 52 5.753 3.353 -2.450 1.00 0.00 C ATOM 0 H ALA A 52 5.326 5.223 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 52 3.738 3.062 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.729 2.492 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.217 3.067 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.332 4.154 -1.989 1.00 0.00 H new ATOM 708 N LYS A 53 3.763 5.304 -0.784 1.00 0.00 N ATOM 709 CA LYS A 53 3.085 5.682 0.471 1.00 0.00 C ATOM 710 C LYS A 53 1.568 5.691 0.290 1.00 0.00 C ATOM 711 O LYS A 53 0.841 5.055 1.050 1.00 0.00 O ATOM 712 CB LYS A 53 3.650 7.034 0.962 1.00 0.00 C ATOM 713 CG LYS A 53 3.377 7.321 2.450 1.00 0.00 C ATOM 714 CD LYS A 53 1.964 7.822 2.780 1.00 0.00 C ATOM 715 CE LYS A 53 1.741 7.835 4.298 1.00 0.00 C ATOM 716 NZ LYS A 53 0.296 7.963 4.626 1.00 0.00 N ATOM 0 H LYS A 53 4.380 6.029 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 53 3.284 4.940 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.726 7.051 0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.219 7.836 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.561 6.409 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.096 8.063 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.824 8.825 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.223 7.180 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.136 6.918 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.293 8.663 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.163 7.867 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.049 8.894 4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.238 7.217 4.137 1.00 0.00 H new ATOM 730 N GLU A 54 1.107 6.366 -0.754 1.00 0.00 N ATOM 731 CA GLU A 54 -0.309 6.446 -1.123 1.00 0.00 C ATOM 732 C GLU A 54 -0.890 5.062 -1.472 1.00 0.00 C ATOM 733 O GLU A 54 -1.988 4.728 -1.017 1.00 0.00 O ATOM 734 CB GLU A 54 -0.441 7.434 -2.296 1.00 0.00 C ATOM 735 CG GLU A 54 -1.891 7.773 -2.700 1.00 0.00 C ATOM 736 CD GLU A 54 -2.690 8.579 -1.651 1.00 0.00 C ATOM 737 OE1 GLU A 54 -2.108 9.145 -0.696 1.00 0.00 O ATOM 738 OE2 GLU A 54 -3.935 8.668 -1.805 1.00 0.00 O ATOM 0 H GLU A 54 1.716 6.886 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.890 6.805 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.073 8.359 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.074 7.018 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.870 8.339 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.422 6.843 -2.904 1.00 0.00 H new ATOM 745 N ILE A 55 -0.142 4.224 -2.203 1.00 0.00 N ATOM 746 CA ILE A 55 -0.533 2.845 -2.532 1.00 0.00 C ATOM 747 C ILE A 55 -0.723 2.010 -1.259 1.00 0.00 C ATOM 748 O ILE A 55 -1.772 1.382 -1.099 1.00 0.00 O ATOM 749 CB ILE A 55 0.502 2.202 -3.489 1.00 0.00 C ATOM 750 CG1 ILE A 55 0.489 2.890 -4.871 1.00 0.00 C ATOM 751 CG2 ILE A 55 0.213 0.701 -3.663 1.00 0.00 C ATOM 752 CD1 ILE A 55 1.799 2.681 -5.637 1.00 0.00 C ATOM 0 H ILE A 55 0.765 4.488 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.493 2.871 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 55 1.488 2.333 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.340 2.500 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.313 3.958 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.949 0.265 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.270 0.205 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.785 0.569 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.740 3.184 -6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.627 3.095 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.963 1.615 -5.793 1.00 0.00 H new ATOM 764 N LEU A 56 0.245 2.022 -0.332 1.00 0.00 N ATOM 765 CA LEU A 56 0.142 1.289 0.934 1.00 0.00 C ATOM 766 C LEU A 56 -0.986 1.827 1.822 1.00 0.00 C ATOM 767 O LEU A 56 -1.695 1.032 2.431 1.00 0.00 O ATOM 768 CB LEU A 56 1.493 1.299 1.691 1.00 0.00 C ATOM 769 CG LEU A 56 2.466 0.140 1.420 1.00 0.00 C ATOM 770 CD1 LEU A 56 1.796 -1.234 1.471 1.00 0.00 C ATOM 771 CD2 LEU A 56 3.182 0.267 0.089 1.00 0.00 C ATOM 0 H LEU A 56 1.118 2.539 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.107 0.257 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.005 2.231 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.280 1.317 2.760 1.00 0.00 H new ATOM 0 HG LEU A 56 3.192 0.214 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.537 -2.008 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.364 -1.392 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.009 -1.283 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.854 -0.580 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.450 0.280 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.757 1.193 0.072 1.00 0.00 H new ATOM 783 N THR A 57 -1.197 3.144 1.863 1.00 0.00 N ATOM 784 CA THR A 57 -2.271 3.771 2.652 1.00 0.00 C ATOM 785 C THR A 57 -3.654 3.301 2.167 1.00 0.00 C ATOM 786 O THR A 57 -4.474 2.862 2.980 1.00 0.00 O ATOM 787 CB THR A 57 -2.170 5.305 2.619 1.00 0.00 C ATOM 788 OG1 THR A 57 -0.936 5.715 3.169 1.00 0.00 O ATOM 789 CG2 THR A 57 -3.248 5.995 3.448 1.00 0.00 C ATOM 0 H THR A 57 -0.626 3.814 1.348 1.00 0.00 H new ATOM 0 HA THR A 57 -2.148 3.455 3.688 1.00 0.00 H new ATOM 0 HB THR A 57 -2.281 5.585 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.217 5.538 2.527 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.121 7.076 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.232 5.721 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.163 5.682 4.489 1.00 0.00 H new ATOM 797 N ARG A 58 -3.904 3.320 0.849 1.00 0.00 N ATOM 798 CA ARG A 58 -5.173 2.845 0.266 1.00 0.00 C ATOM 799 C ARG A 58 -5.342 1.327 0.393 1.00 0.00 C ATOM 800 O ARG A 58 -6.442 0.860 0.681 1.00 0.00 O ATOM 801 CB ARG A 58 -5.276 3.262 -1.210 1.00 0.00 C ATOM 802 CG ARG A 58 -5.367 4.778 -1.399 1.00 0.00 C ATOM 803 CD ARG A 58 -5.460 5.126 -2.886 1.00 0.00 C ATOM 804 NE ARG A 58 -5.389 6.586 -3.075 1.00 0.00 N ATOM 805 CZ ARG A 58 -5.852 7.303 -4.079 1.00 0.00 C ATOM 806 NH1 ARG A 58 -6.505 6.784 -5.084 1.00 0.00 N ATOM 807 NH2 ARG A 58 -5.637 8.585 -4.068 1.00 0.00 N ATOM 0 H ARG A 58 -3.237 3.663 0.158 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.977 3.313 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.407 2.886 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.154 2.793 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.240 5.165 -0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.492 5.259 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.650 4.642 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.394 4.744 -3.298 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.922 7.108 -2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.677 5.779 -5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.843 7.384 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.122 9.009 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.983 9.167 -4.831 1.00 0.00 H new ATOM 821 N PHE A 59 -4.271 0.550 0.225 1.00 0.00 N ATOM 822 CA PHE A 59 -4.287 -0.904 0.379 1.00 0.00 C ATOM 823 C PHE A 59 -4.634 -1.329 1.809 1.00 0.00 C ATOM 824 O PHE A 59 -5.509 -2.180 1.993 1.00 0.00 O ATOM 825 CB PHE A 59 -2.942 -1.474 -0.076 1.00 0.00 C ATOM 826 CG PHE A 59 -2.761 -2.945 0.243 1.00 0.00 C ATOM 827 CD1 PHE A 59 -3.607 -3.904 -0.347 1.00 0.00 C ATOM 828 CD2 PHE A 59 -1.797 -3.345 1.180 1.00 0.00 C ATOM 829 CE1 PHE A 59 -3.490 -5.260 0.006 1.00 0.00 C ATOM 830 CE2 PHE A 59 -1.661 -4.705 1.505 1.00 0.00 C ATOM 831 CZ PHE A 59 -2.506 -5.664 0.925 1.00 0.00 C ATOM 0 H PHE A 59 -3.354 0.920 -0.026 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.076 -1.313 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.842 -1.330 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.139 -0.908 0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.347 -3.597 -1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.161 -2.610 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.156 -5.991 -0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.901 -5.015 2.206 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.401 -6.707 1.184 1.00 0.00 H new ATOM 841 N LYS A 60 -4.016 -0.708 2.820 1.00 0.00 N ATOM 842 CA LYS A 60 -4.258 -1.037 4.231 1.00 0.00 C ATOM 843 C LYS A 60 -5.649 -0.596 4.706 1.00 0.00 C ATOM 844 O LYS A 60 -6.279 -1.285 5.506 1.00 0.00 O ATOM 845 CB LYS A 60 -3.127 -0.466 5.103 1.00 0.00 C ATOM 846 CG LYS A 60 -3.121 -1.083 6.512 1.00 0.00 C ATOM 847 CD LYS A 60 -1.968 -0.524 7.351 1.00 0.00 C ATOM 848 CE LYS A 60 -1.902 -1.230 8.710 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.738 -0.753 9.505 1.00 0.00 N ATOM 0 H LYS A 60 -3.333 0.038 2.684 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.250 -2.122 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.167 -0.653 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.239 0.615 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.070 -0.876 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.030 -2.167 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.026 -0.657 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.103 0.548 7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.823 -1.048 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.828 -2.307 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.687 -1.283 10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.137 -0.903 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.849 0.261 9.710 1.00 0.00 H new ATOM 863 N ASP A 61 -6.164 0.516 4.172 1.00 0.00 N ATOM 864 CA ASP A 61 -7.529 1.011 4.434 1.00 0.00 C ATOM 865 C ASP A 61 -8.628 0.216 3.690 1.00 0.00 C ATOM 866 O ASP A 61 -9.818 0.346 3.994 1.00 0.00 O ATOM 867 CB ASP A 61 -7.572 2.504 4.058 1.00 0.00 C ATOM 868 CG ASP A 61 -8.896 3.182 4.458 1.00 0.00 C ATOM 869 OD1 ASP A 61 -9.197 3.252 5.673 1.00 0.00 O ATOM 870 OD2 ASP A 61 -9.619 3.684 3.566 1.00 0.00 O ATOM 0 H ASP A 61 -5.638 1.112 3.533 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.748 0.870 5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.744 3.020 4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.426 2.608 2.983 1.00 0.00 H new ATOM 875 N GLY A 62 -8.245 -0.632 2.726 1.00 0.00 N ATOM 876 CA GLY A 62 -9.162 -1.426 1.892 1.00 0.00 C ATOM 877 C GLY A 62 -9.778 -0.679 0.700 1.00 0.00 C ATOM 878 O GLY A 62 -10.686 -1.203 0.044 1.00 0.00 O ATOM 0 H GLY A 62 -7.264 -0.790 2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.624 -2.296 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.969 -1.799 2.522 1.00 0.00 H new ATOM 882 N GLY A 63 -9.293 0.526 0.390 1.00 0.00 N ATOM 883 CA GLY A 63 -9.638 1.287 -0.817 1.00 0.00 C ATOM 884 C GLY A 63 -8.923 0.802 -2.089 1.00 0.00 C ATOM 885 O GLY A 63 -9.268 1.242 -3.188 1.00 0.00 O ATOM 0 H GLY A 63 -8.629 1.015 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.715 1.230 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.395 2.337 -0.654 1.00 0.00 H new ATOM 889 N LEU A 64 -7.945 -0.101 -1.952 1.00 0.00 N ATOM 890 CA LEU A 64 -7.159 -0.712 -3.031 1.00 0.00 C ATOM 891 C LEU A 64 -6.992 -2.225 -2.785 1.00 0.00 C ATOM 892 O LEU A 64 -6.798 -2.656 -1.645 1.00 0.00 O ATOM 893 CB LEU A 64 -5.803 0.021 -3.071 1.00 0.00 C ATOM 894 CG LEU A 64 -4.940 -0.232 -4.316 1.00 0.00 C ATOM 895 CD1 LEU A 64 -5.515 0.508 -5.521 1.00 0.00 C ATOM 896 CD2 LEU A 64 -3.528 0.300 -4.082 1.00 0.00 C ATOM 0 H LEU A 64 -7.665 -0.445 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.660 -0.613 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.989 1.092 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.230 -0.268 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.925 -1.306 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.892 0.319 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.528 0.156 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.535 1.578 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.919 0.118 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.571 1.371 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.084 -0.209 -3.226 1.00 0.00 H new ATOM 908 N ASP A 65 -7.053 -3.036 -3.843 1.00 0.00 N ATOM 909 CA ASP A 65 -6.832 -4.492 -3.780 1.00 0.00 C ATOM 910 C ASP A 65 -5.330 -4.833 -3.855 1.00 0.00 C ATOM 911 O ASP A 65 -4.519 -4.043 -4.345 1.00 0.00 O ATOM 912 CB ASP A 65 -7.616 -5.178 -4.914 1.00 0.00 C ATOM 913 CG ASP A 65 -7.799 -6.705 -4.762 1.00 0.00 C ATOM 914 OD1 ASP A 65 -7.460 -7.271 -3.698 1.00 0.00 O ATOM 915 OD2 ASP A 65 -8.284 -7.347 -5.724 1.00 0.00 O ATOM 0 H ASP A 65 -7.260 -2.700 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.196 -4.864 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.601 -4.716 -4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.105 -4.982 -5.857 1.00 0.00 H new ATOM 920 N ARG A 66 -4.946 -6.041 -3.434 1.00 0.00 N ATOM 921 CA ARG A 66 -3.552 -6.512 -3.476 1.00 0.00 C ATOM 922 C ARG A 66 -3.037 -6.636 -4.913 1.00 0.00 C ATOM 923 O ARG A 66 -1.893 -6.271 -5.184 1.00 0.00 O ATOM 924 CB ARG A 66 -3.422 -7.838 -2.704 1.00 0.00 C ATOM 925 CG ARG A 66 -1.966 -8.065 -2.266 1.00 0.00 C ATOM 926 CD ARG A 66 -1.751 -9.384 -1.524 1.00 0.00 C ATOM 927 NE ARG A 66 -2.439 -9.422 -0.214 1.00 0.00 N ATOM 928 CZ ARG A 66 -2.105 -10.199 0.804 1.00 0.00 C ATOM 929 NH1 ARG A 66 -1.153 -11.075 0.729 1.00 0.00 N ATOM 930 NH2 ARG A 66 -2.722 -10.118 1.945 1.00 0.00 N ATOM 0 H ARG A 66 -5.596 -6.728 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.923 -5.768 -2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.073 -7.822 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.752 -8.665 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.323 -8.043 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.656 -7.241 -1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.110 -10.207 -2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.683 -9.541 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.236 -8.798 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.629 -11.185 -0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.928 -11.654 1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.479 -9.446 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.449 -10.726 2.717 1.00 0.00 H new ATOM 944 N ALA A 67 -3.893 -7.064 -5.844 1.00 0.00 N ATOM 945 CA ALA A 67 -3.572 -7.171 -7.269 1.00 0.00 C ATOM 946 C ALA A 67 -3.339 -5.801 -7.952 1.00 0.00 C ATOM 947 O ALA A 67 -2.596 -5.715 -8.934 1.00 0.00 O ATOM 948 CB ALA A 67 -4.703 -7.948 -7.949 1.00 0.00 C ATOM 0 H ALA A 67 -4.847 -7.351 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.624 -7.700 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.490 -8.043 -9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.781 -8.940 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.644 -7.414 -7.813 1.00 0.00 H new ATOM 954 N ALA A 68 -3.917 -4.726 -7.403 1.00 0.00 N ATOM 955 CA ALA A 68 -3.651 -3.351 -7.819 1.00 0.00 C ATOM 956 C ALA A 68 -2.406 -2.779 -7.112 1.00 0.00 C ATOM 957 O ALA A 68 -1.561 -2.161 -7.757 1.00 0.00 O ATOM 958 CB ALA A 68 -4.912 -2.518 -7.566 1.00 0.00 C ATOM 0 H ALA A 68 -4.595 -4.793 -6.643 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.420 -3.320 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.734 -1.487 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.741 -2.929 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.159 -2.545 -6.505 1.00 0.00 H new ATOM 964 N ALA A 69 -2.238 -3.040 -5.808 1.00 0.00 N ATOM 965 CA ALA A 69 -1.069 -2.603 -5.042 1.00 0.00 C ATOM 966 C ALA A 69 0.243 -3.164 -5.625 1.00 0.00 C ATOM 967 O ALA A 69 1.176 -2.406 -5.885 1.00 0.00 O ATOM 968 CB ALA A 69 -1.249 -2.998 -3.572 1.00 0.00 C ATOM 0 H ALA A 69 -2.916 -3.564 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.993 -1.518 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.380 -2.674 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.145 -2.521 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.350 -4.081 -3.496 1.00 0.00 H new ATOM 974 N GLN A 70 0.297 -4.467 -5.918 1.00 0.00 N ATOM 975 CA GLN A 70 1.456 -5.117 -6.541 1.00 0.00 C ATOM 976 C GLN A 70 1.800 -4.502 -7.906 1.00 0.00 C ATOM 977 O GLN A 70 2.970 -4.268 -8.201 1.00 0.00 O ATOM 978 CB GLN A 70 1.173 -6.614 -6.754 1.00 0.00 C ATOM 979 CG GLN A 70 1.139 -7.427 -5.452 1.00 0.00 C ATOM 980 CD GLN A 70 0.636 -8.856 -5.645 1.00 0.00 C ATOM 981 OE1 GLN A 70 0.170 -9.266 -6.703 1.00 0.00 O ATOM 982 NE2 GLN A 70 0.702 -9.674 -4.618 1.00 0.00 N ATOM 0 H GLN A 70 -0.472 -5.109 -5.727 1.00 0.00 H new ATOM 0 HA GLN A 70 2.298 -4.971 -5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.217 -6.725 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.937 -7.029 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.141 -7.457 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.499 -6.918 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.087 -9.349 -3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.368 -10.634 -4.708 1.00 0.00 H new ATOM 991 N ALA A 71 0.788 -4.203 -8.726 1.00 0.00 N ATOM 992 CA ALA A 71 0.974 -3.614 -10.046 1.00 0.00 C ATOM 993 C ALA A 71 1.595 -2.213 -9.943 1.00 0.00 C ATOM 994 O ALA A 71 2.601 -1.912 -10.582 1.00 0.00 O ATOM 995 CB ALA A 71 -0.389 -3.566 -10.736 1.00 0.00 C ATOM 0 H ALA A 71 -0.190 -4.366 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 71 1.665 -4.220 -10.632 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.279 -3.129 -11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.787 -4.577 -10.827 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.075 -2.958 -10.145 1.00 0.00 H new ATOM 1001 N LEU A 72 1.021 -1.370 -9.087 1.00 0.00 N ATOM 1002 CA LEU A 72 1.385 0.040 -8.962 1.00 0.00 C ATOM 1003 C LEU A 72 2.746 0.235 -8.274 1.00 0.00 C ATOM 1004 O LEU A 72 3.512 1.119 -8.658 1.00 0.00 O ATOM 1005 CB LEU A 72 0.226 0.732 -8.219 1.00 0.00 C ATOM 1006 CG LEU A 72 -1.081 0.743 -9.039 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -2.252 1.199 -8.171 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -0.960 1.664 -10.249 1.00 0.00 C ATOM 0 H LEU A 72 0.277 -1.653 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 72 1.520 0.492 -9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.052 0.223 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.511 1.757 -7.983 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.262 -0.274 -9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.166 1.201 -8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.368 0.517 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.059 2.205 -7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.895 1.653 -10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.750 2.680 -9.914 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.149 1.318 -10.890 1.00 0.00 H new ATOM 1020 N LEU A 73 3.084 -0.642 -7.329 1.00 0.00 N ATOM 1021 CA LEU A 73 4.425 -0.732 -6.730 1.00 0.00 C ATOM 1022 C LEU A 73 5.488 -1.211 -7.741 1.00 0.00 C ATOM 1023 O LEU A 73 6.625 -0.735 -7.713 1.00 0.00 O ATOM 1024 CB LEU A 73 4.376 -1.663 -5.505 1.00 0.00 C ATOM 1025 CG LEU A 73 3.588 -1.093 -4.308 1.00 0.00 C ATOM 1026 CD1 LEU A 73 3.389 -2.159 -3.227 1.00 0.00 C ATOM 1027 CD2 LEU A 73 4.256 0.108 -3.649 1.00 0.00 C ATOM 0 H LEU A 73 2.427 -1.323 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 73 4.723 0.269 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.928 -2.612 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.396 -1.878 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 73 2.636 -0.770 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.831 -1.732 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.834 -3.000 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.360 -2.505 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.644 0.453 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.241 -0.180 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.362 0.911 -4.378 1.00 0.00 H new ATOM 1039 N ALA A 74 5.117 -2.110 -8.656 1.00 0.00 N ATOM 1040 CA ALA A 74 5.972 -2.577 -9.759 1.00 0.00 C ATOM 1041 C ALA A 74 5.992 -1.648 -11.000 1.00 0.00 C ATOM 1042 O ALA A 74 6.674 -1.950 -11.987 1.00 0.00 O ATOM 1043 CB ALA A 74 5.558 -4.010 -10.121 1.00 0.00 C ATOM 0 H ALA A 74 4.194 -2.545 -8.654 1.00 0.00 H new ATOM 0 HA ALA A 74 7.003 -2.556 -9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.182 -4.374 -10.938 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.685 -4.656 -9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.513 -4.020 -10.430 1.00 0.00 H new ATOM 1049 N GLY A 75 5.263 -0.524 -10.981 1.00 0.00 N ATOM 1050 CA GLY A 75 5.249 0.481 -12.054 1.00 0.00 C ATOM 1051 C GLY A 75 4.395 0.122 -13.285 1.00 0.00 C ATOM 1052 O GLY A 75 4.657 0.636 -14.379 1.00 0.00 O ATOM 0 H GLY A 75 4.652 -0.282 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.885 1.422 -11.642 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.274 0.652 -12.382 1.00 0.00 H new ATOM 1056 N ARG A 76 3.401 -0.765 -13.130 1.00 0.00 N ATOM 1057 CA ARG A 76 2.474 -1.247 -14.179 1.00 0.00 C ATOM 1058 C ARG A 76 1.000 -1.039 -13.795 1.00 0.00 C ATOM 1059 O ARG A 76 0.685 -0.783 -12.634 1.00 0.00 O ATOM 1060 CB ARG A 76 2.818 -2.707 -14.548 1.00 0.00 C ATOM 1061 CG ARG A 76 2.762 -3.672 -13.353 1.00 0.00 C ATOM 1062 CD ARG A 76 3.169 -5.101 -13.724 1.00 0.00 C ATOM 1063 NE ARG A 76 3.285 -5.951 -12.524 1.00 0.00 N ATOM 1064 CZ ARG A 76 2.331 -6.639 -11.919 1.00 0.00 C ATOM 1065 NH1 ARG A 76 1.110 -6.705 -12.372 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.590 -7.276 -10.816 1.00 0.00 N ATOM 0 H ARG A 76 3.207 -1.191 -12.224 1.00 0.00 H new ATOM 0 HA ARG A 76 2.611 -0.643 -15.076 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.126 -3.052 -15.316 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.817 -2.738 -14.983 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.419 -3.305 -12.565 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.751 -3.681 -12.946 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.432 -5.527 -14.405 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.121 -5.085 -14.255 1.00 0.00 H new ATOM 0 HE ARG A 76 4.215 -6.016 -12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.857 -6.213 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.408 -7.249 -11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.528 -7.245 -10.418 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.855 -7.807 -10.349 1.00 0.00 H new ATOM 1080 N THR A 77 0.093 -1.130 -14.762 1.00 0.00 N ATOM 1081 CA THR A 77 -1.352 -0.929 -14.541 1.00 0.00 C ATOM 1082 C THR A 77 -2.008 -2.099 -13.787 1.00 0.00 C ATOM 1083 O THR A 77 -1.576 -3.246 -13.948 1.00 0.00 O ATOM 1084 CB THR A 77 -2.095 -0.674 -15.865 1.00 0.00 C ATOM 1085 OG1 THR A 77 -1.686 -1.590 -16.862 1.00 0.00 O ATOM 1086 CG2 THR A 77 -1.805 0.734 -16.395 1.00 0.00 C ATOM 0 H THR A 77 0.332 -1.346 -15.730 1.00 0.00 H new ATOM 0 HA THR A 77 -1.437 -0.043 -13.911 1.00 0.00 H new ATOM 0 HB THR A 77 -3.158 -0.791 -15.654 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.173 -1.409 -17.693 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.342 0.888 -17.331 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.132 1.473 -15.663 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.735 0.844 -16.568 1.00 0.00 H new ATOM 1094 N PRO A 78 -3.050 -1.857 -12.962 1.00 0.00 N ATOM 1095 CA PRO A 78 -3.720 -2.892 -12.162 1.00 0.00 C ATOM 1096 C PRO A 78 -4.183 -4.121 -12.960 1.00 0.00 C ATOM 1097 O PRO A 78 -4.745 -3.991 -14.049 1.00 0.00 O ATOM 1098 CB PRO A 78 -4.899 -2.189 -11.483 1.00 0.00 C ATOM 1099 CG PRO A 78 -4.374 -0.770 -11.301 1.00 0.00 C ATOM 1100 CD PRO A 78 -3.578 -0.549 -12.588 1.00 0.00 C ATOM 0 HA PRO A 78 -3.011 -3.311 -11.448 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.797 -2.214 -12.100 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.154 -2.653 -10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.183 -0.048 -11.194 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.747 -0.679 -10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.214 -0.145 -13.376 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.772 0.167 -12.430 1.00 0.00 H new ATOM 1108 N ALA A 79 -3.961 -5.306 -12.384 1.00 0.00 N ATOM 1109 CA ALA A 79 -4.322 -6.618 -12.939 1.00 0.00 C ATOM 1110 C ALA A 79 -3.800 -6.898 -14.375 1.00 0.00 C ATOM 1111 O ALA A 79 -4.395 -7.687 -15.118 1.00 0.00 O ATOM 1112 CB ALA A 79 -5.833 -6.847 -12.748 1.00 0.00 C ATOM 0 H ALA A 79 -3.503 -5.383 -11.476 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.785 -7.377 -12.370 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.108 -7.819 -13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.074 -6.820 -11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.388 -6.065 -13.266 1.00 0.00 H new ATOM 1118 N ALA A 80 -2.694 -6.258 -14.776 1.00 0.00 N ATOM 1119 CA ALA A 80 -2.032 -6.415 -16.073 1.00 0.00 C ATOM 1120 C ALA A 80 -0.495 -6.477 -15.943 1.00 0.00 C ATOM 1121 O ALA A 80 0.074 -6.072 -14.923 1.00 0.00 O ATOM 1122 CB ALA A 80 -2.463 -5.251 -16.976 1.00 0.00 C ATOM 0 H ALA A 80 -2.216 -5.586 -14.176 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.335 -7.366 -16.512 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.981 -5.348 -17.949 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.545 -5.271 -17.103 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.169 -4.307 -16.518 1.00 0.00 H new ATOM 1128 N ALA A 81 0.181 -6.959 -16.991 1.00 0.00 N ATOM 1129 CA ALA A 81 1.638 -7.018 -17.090 1.00 0.00 C ATOM 1130 C ALA A 81 2.145 -6.692 -18.517 1.00 0.00 C ATOM 1131 O ALA A 81 1.520 -7.113 -19.498 1.00 0.00 O ATOM 1132 CB ALA A 81 2.113 -8.402 -16.627 1.00 0.00 C ATOM 0 H ALA A 81 -0.288 -7.330 -17.818 1.00 0.00 H new ATOM 0 HA ALA A 81 2.062 -6.252 -16.441 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.199 -8.456 -16.697 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.808 -8.564 -15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.670 -9.170 -17.261 1.00 0.00 H new ATOM 1138 N PRO A 82 3.289 -5.989 -18.660 1.00 0.00 N ATOM 1139 CA PRO A 82 3.810 -5.518 -19.954 1.00 0.00 C ATOM 1140 C PRO A 82 4.694 -6.528 -20.717 1.00 0.00 C ATOM 1141 O PRO A 82 5.400 -6.158 -21.663 1.00 0.00 O ATOM 1142 CB PRO A 82 4.545 -4.218 -19.612 1.00 0.00 C ATOM 1143 CG PRO A 82 5.137 -4.528 -18.238 1.00 0.00 C ATOM 1144 CD PRO A 82 4.031 -5.353 -17.575 1.00 0.00 C ATOM 0 HA PRO A 82 2.995 -5.372 -20.663 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.318 -3.984 -20.344 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.868 -3.365 -19.579 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.069 -5.088 -18.315 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.356 -3.620 -17.677 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.453 -6.100 -16.902 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.378 -4.718 -16.977 1.00 0.00 H new ATOM 1152 N ARG A 83 4.679 -7.804 -20.313 1.00 0.00 N ATOM 1153 CA ARG A 83 5.512 -8.907 -20.846 1.00 0.00 C ATOM 1154 C ARG A 83 4.668 -10.144 -21.219 1.00 0.00 C ATOM 1155 O ARG A 83 3.648 -10.387 -20.564 1.00 0.00 O ATOM 1156 CB ARG A 83 6.614 -9.285 -19.836 1.00 0.00 C ATOM 1157 CG ARG A 83 7.651 -8.165 -19.642 1.00 0.00 C ATOM 1158 CD ARG A 83 8.812 -8.583 -18.727 1.00 0.00 C ATOM 1159 NE ARG A 83 8.368 -8.803 -17.337 1.00 0.00 N ATOM 1160 CZ ARG A 83 9.139 -9.012 -16.288 1.00 0.00 C ATOM 1161 NH1 ARG A 83 10.435 -9.061 -16.364 1.00 0.00 N ATOM 1162 NH2 ARG A 83 8.609 -9.168 -15.110 1.00 0.00 N ATOM 0 H ARG A 83 4.057 -8.119 -19.568 1.00 0.00 H new ATOM 0 HA ARG A 83 5.980 -8.549 -21.763 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.156 -9.520 -18.876 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.120 -10.188 -20.178 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.048 -7.871 -20.614 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.159 -7.289 -19.220 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.266 -9.496 -19.112 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.583 -7.812 -18.744 1.00 0.00 H new ATOM 0 HE ARG A 83 7.362 -8.792 -17.171 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.898 -8.935 -17.264 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.989 -9.225 -15.524 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.596 -9.129 -14.997 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.207 -9.330 -14.299 1.00 0.00 H new ATOM 1176 N PRO A 84 5.073 -10.936 -22.240 1.00 0.00 N ATOM 1177 CA PRO A 84 4.371 -12.160 -22.658 1.00 0.00 C ATOM 1178 C PRO A 84 4.478 -13.306 -21.627 1.00 0.00 C ATOM 1179 O PRO A 84 3.502 -14.083 -21.495 1.00 0.00 O ATOM 1180 CB PRO A 84 4.978 -12.537 -24.015 1.00 0.00 C ATOM 1181 CG PRO A 84 6.400 -11.981 -23.937 1.00 0.00 C ATOM 1182 CD PRO A 84 6.224 -10.706 -23.107 1.00 0.00 C ATOM 1183 OXT PRO A 84 5.532 -13.441 -20.964 1.00 0.00 O ATOM 0 HA PRO A 84 3.298 -11.983 -22.734 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.977 -13.616 -24.169 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.420 -12.096 -24.841 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.083 -12.683 -23.459 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.805 -11.767 -24.926 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.118 -10.499 -22.519 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.059 -9.843 -23.751 1.00 0.00 H new TER 1191 PRO A 84