USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 990 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 71 THR OG1 : rot 55:sc= 0.84 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -1.14 USER MOD Set 2.1: A 46 MET CE :methyl 150:sc= -11.6! (180deg=-9.89!) USER MOD Set 2.2: A 48 MET CE :methyl 159:sc= -5.41! (180deg=-6.76!) USER MOD Set 2.3: A 87 THR OG1 : rot 84:sc= -0.378 USER MOD Set 3.1: A 18 GLN : amide:sc= 0.431 K(o=0.41,f=-3.4!) USER MOD Set 3.2: A 21 THR OG1 : rot -168:sc= -0.0172 USER MOD Single : A 0 HIS : no HE2:sc= -12! C(o=-12!,f=-14!) USER MOD Single : A 1 MET CE :methyl 143:sc= -0.8 (180deg=-3.26!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -29:sc= 0.457 USER MOD Single : A -4 SER OG : rot 80:sc= -0.259 USER MOD Single : A -5 GLY N :NH3+ 139:sc= 0.0713 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 172:sc= -1.46 USER MOD Single : A 24 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.8!) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.347 F(o=-1.3,f=-0.35) USER MOD Single : A 36 ASN : amide:sc= -0.873 K(o=-0.87,f=-8.2!) USER MOD Single : A 44 GLN :FLIP amide:sc= 0.527 F(o=-0.27,f=0.53) USER MOD Single : A 47 MET CE :methyl -146:sc= -0.204 (180deg=-1.22) USER MOD Single : A 50 SER OG : rot 50:sc= 0.384 USER MOD Single : A 52 GLN : amide:sc= -0.419 K(o=-0.42,f=-3.5!) USER MOD Single : A 60 HIS : no HE2:sc= -0.746 K(o=-0.75,f=-7.1!) USER MOD Single : A 65 ASN : amide:sc= -1.46 K(o=-1.5,f=-8.3!) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HE2:sc= -7.24 F(o=-8.3!,f=-7.2) USER MOD Single : A 92 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.2) USER MOD Single : A 101 CYS SG : rot 180:sc= 0.00556 USER MOD Single : A 115 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.7!) USER MOD Single : A 117 HIS : no HD1:sc= -3.25 X(o=-3.3,f=-3.2!) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-5.3!) USER MOD Single : A 128 THR OG1 : rot 2:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 122.234 -13.298 -38.030 1.00 0.00 N ATOM 2 CA GLY A -5 121.602 -12.571 -36.894 1.00 0.00 C ATOM 3 C GLY A -5 121.514 -11.082 -37.230 1.00 0.00 C ATOM 4 O GLY A -5 122.306 -10.561 -37.991 1.00 0.00 O ATOM 0 H1 GLY A -5 122.896 -14.011 -37.661 1.00 0.00 H new ATOM 0 H2 GLY A -5 121.498 -13.768 -38.594 1.00 0.00 H new ATOM 0 H3 GLY A -5 122.751 -12.623 -38.629 1.00 0.00 H new ATOM 0 HA2 GLY A -5 120.607 -12.971 -36.701 1.00 0.00 H new ATOM 0 HA3 GLY A -5 122.186 -12.716 -35.985 1.00 0.00 H new ATOM 10 N SER A -4 120.558 -10.392 -36.667 1.00 0.00 N ATOM 11 CA SER A -4 120.421 -8.934 -36.952 1.00 0.00 C ATOM 12 C SER A -4 121.564 -8.164 -36.281 1.00 0.00 C ATOM 13 O SER A -4 122.020 -8.543 -35.220 1.00 0.00 O ATOM 14 CB SER A -4 119.076 -8.535 -36.348 1.00 0.00 C ATOM 15 OG SER A -4 118.863 -7.144 -36.549 1.00 0.00 O ATOM 0 H SER A -4 119.866 -10.775 -36.022 1.00 0.00 H new ATOM 0 HA SER A -4 120.466 -8.712 -38.018 1.00 0.00 H new ATOM 0 HB2 SER A -4 118.273 -9.108 -36.811 1.00 0.00 H new ATOM 0 HB3 SER A -4 119.060 -8.767 -35.283 1.00 0.00 H new ATOM 0 HG SER A -4 118.548 -6.990 -37.464 1.00 0.00 H new ATOM 21 N PRO A -3 121.999 -7.108 -36.921 1.00 0.00 N ATOM 22 CA PRO A -3 123.106 -6.298 -36.363 1.00 0.00 C ATOM 23 C PRO A -3 122.613 -5.444 -35.191 1.00 0.00 C ATOM 24 O PRO A -3 121.496 -4.965 -35.181 1.00 0.00 O ATOM 25 CB PRO A -3 123.543 -5.428 -37.538 1.00 0.00 C ATOM 26 CG PRO A -3 122.344 -5.334 -38.427 1.00 0.00 C ATOM 27 CD PRO A -3 121.514 -6.574 -38.201 1.00 0.00 C ATOM 0 HA PRO A -3 123.921 -6.903 -35.966 1.00 0.00 H new ATOM 0 HB2 PRO A -3 123.860 -4.441 -37.200 1.00 0.00 H new ATOM 0 HB3 PRO A -3 124.388 -5.872 -38.063 1.00 0.00 H new ATOM 0 HG2 PRO A -3 121.766 -4.439 -38.198 1.00 0.00 H new ATOM 0 HG3 PRO A -3 122.646 -5.260 -39.472 1.00 0.00 H new ATOM 0 HD2 PRO A -3 120.451 -6.338 -38.156 1.00 0.00 H new ATOM 0 HD3 PRO A -3 121.647 -7.294 -39.008 1.00 0.00 H new ATOM 35 N GLY A -2 123.444 -5.260 -34.202 1.00 0.00 N ATOM 36 CA GLY A -2 123.046 -4.446 -33.017 1.00 0.00 C ATOM 37 C GLY A -2 124.241 -4.342 -32.071 1.00 0.00 C ATOM 38 O GLY A -2 125.264 -4.959 -32.292 1.00 0.00 O ATOM 0 H GLY A -2 124.389 -5.641 -34.163 1.00 0.00 H new ATOM 0 HA2 GLY A -2 122.725 -3.453 -33.331 1.00 0.00 H new ATOM 0 HA3 GLY A -2 122.200 -4.908 -32.508 1.00 0.00 H new ATOM 42 N ILE A -1 124.132 -3.566 -31.022 1.00 0.00 N ATOM 43 CA ILE A -1 125.286 -3.436 -30.082 1.00 0.00 C ATOM 44 C ILE A -1 124.901 -2.615 -28.840 1.00 0.00 C ATOM 45 O ILE A -1 124.013 -1.788 -28.877 1.00 0.00 O ATOM 46 CB ILE A -1 126.368 -2.728 -30.904 1.00 0.00 C ATOM 47 CG1 ILE A -1 127.630 -2.548 -30.055 1.00 0.00 C ATOM 48 CG2 ILE A -1 125.851 -1.365 -31.373 1.00 0.00 C ATOM 49 CD1 ILE A -1 128.352 -3.892 -29.935 1.00 0.00 C ATOM 0 H ILE A -1 123.304 -3.023 -30.778 1.00 0.00 H new ATOM 0 HA ILE A -1 125.622 -4.401 -29.702 1.00 0.00 H new ATOM 0 HB ILE A -1 126.612 -3.334 -31.776 1.00 0.00 H new ATOM 0 HG12 ILE A -1 128.287 -1.808 -30.512 1.00 0.00 H new ATOM 0 HG13 ILE A -1 127.367 -2.173 -29.066 1.00 0.00 H new ATOM 0 HG21 ILE A -1 126.623 -0.864 -31.957 1.00 0.00 H new ATOM 0 HG22 ILE A -1 124.963 -1.505 -31.990 1.00 0.00 H new ATOM 0 HG23 ILE A -1 125.598 -0.754 -30.507 1.00 0.00 H new ATOM 0 HD11 ILE A -1 129.251 -3.769 -29.331 1.00 0.00 H new ATOM 0 HD12 ILE A -1 127.692 -4.618 -29.460 1.00 0.00 H new ATOM 0 HD13 ILE A -1 128.627 -4.247 -30.928 1.00 0.00 H new ATOM 61 N HIS A 0 125.583 -2.857 -27.746 1.00 0.00 N ATOM 62 CA HIS A 0 125.321 -2.134 -26.454 1.00 0.00 C ATOM 63 C HIS A 0 123.823 -1.923 -26.170 1.00 0.00 C ATOM 64 O HIS A 0 123.160 -1.107 -26.777 1.00 0.00 O ATOM 65 CB HIS A 0 126.073 -0.792 -26.540 1.00 0.00 C ATOM 66 CG HIS A 0 125.685 -0.005 -27.766 1.00 0.00 C ATOM 67 ND1 HIS A 0 124.494 0.702 -27.856 1.00 0.00 N ATOM 68 CD2 HIS A 0 126.345 0.227 -28.947 1.00 0.00 C ATOM 69 CE1 HIS A 0 124.476 1.318 -29.053 1.00 0.00 C ATOM 70 NE2 HIS A 0 125.581 1.062 -29.758 1.00 0.00 N ATOM 0 H HIS A 0 126.333 -3.546 -27.691 1.00 0.00 H new ATOM 0 HA HIS A 0 125.677 -2.737 -25.618 1.00 0.00 H new ATOM 0 HB2 HIS A 0 125.863 -0.201 -25.648 1.00 0.00 H new ATOM 0 HB3 HIS A 0 127.147 -0.978 -26.554 1.00 0.00 H new ATOM 0 HD1 HIS A 0 123.765 0.747 -27.144 1.00 0.00 H new ATOM 0 HD2 HIS A 0 127.312 -0.177 -29.208 1.00 0.00 H new ATOM 0 HE1 HIS A 0 123.667 1.943 -29.401 1.00 0.00 H new ATOM 78 N MET A 1 123.304 -2.649 -25.209 1.00 0.00 N ATOM 79 CA MET A 1 121.864 -2.509 -24.819 1.00 0.00 C ATOM 80 C MET A 1 120.933 -2.706 -26.016 1.00 0.00 C ATOM 81 O MET A 1 121.317 -3.239 -27.039 1.00 0.00 O ATOM 82 CB MET A 1 121.730 -1.085 -24.273 1.00 0.00 C ATOM 83 CG MET A 1 122.709 -0.881 -23.114 1.00 0.00 C ATOM 84 SD MET A 1 122.277 -1.993 -21.752 1.00 0.00 S ATOM 85 CE MET A 1 123.529 -3.255 -22.091 1.00 0.00 C ATOM 0 H MET A 1 123.824 -3.342 -24.671 1.00 0.00 H new ATOM 0 HA MET A 1 121.581 -3.265 -24.086 1.00 0.00 H new ATOM 0 HB2 MET A 1 121.932 -0.362 -25.063 1.00 0.00 H new ATOM 0 HB3 MET A 1 120.709 -0.910 -23.934 1.00 0.00 H new ATOM 0 HG2 MET A 1 123.728 -1.076 -23.447 1.00 0.00 H new ATOM 0 HG3 MET A 1 122.677 0.155 -22.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 123.912 -3.650 -21.150 1.00 0.00 H new ATOM 0 HE2 MET A 1 123.083 -4.064 -22.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 124.347 -2.812 -22.659 1.00 0.00 H new ATOM 95 N LEU A 2 119.702 -2.281 -25.882 1.00 0.00 N ATOM 96 CA LEU A 2 118.723 -2.436 -26.995 1.00 0.00 C ATOM 97 C LEU A 2 117.562 -1.444 -26.826 1.00 0.00 C ATOM 98 O LEU A 2 117.273 -0.666 -27.713 1.00 0.00 O ATOM 99 CB LEU A 2 118.226 -3.875 -26.880 1.00 0.00 C ATOM 100 CG LEU A 2 117.616 -4.317 -28.209 1.00 0.00 C ATOM 101 CD1 LEU A 2 118.720 -4.463 -29.260 1.00 0.00 C ATOM 102 CD2 LEU A 2 116.916 -5.661 -28.013 1.00 0.00 C ATOM 0 H LEU A 2 119.333 -1.831 -25.044 1.00 0.00 H new ATOM 0 HA LEU A 2 119.167 -2.234 -27.970 1.00 0.00 H new ATOM 0 HB2 LEU A 2 119.051 -4.534 -26.610 1.00 0.00 H new ATOM 0 HB3 LEU A 2 117.484 -3.951 -26.085 1.00 0.00 H new ATOM 0 HG LEU A 2 116.896 -3.572 -28.548 1.00 0.00 H new ATOM 0 HD11 LEU A 2 118.282 -4.778 -30.207 1.00 0.00 H new ATOM 0 HD12 LEU A 2 119.223 -3.506 -29.394 1.00 0.00 H new ATOM 0 HD13 LEU A 2 119.442 -5.209 -28.928 1.00 0.00 H new ATOM 0 HD21 LEU A 2 116.478 -5.984 -28.957 1.00 0.00 H new ATOM 0 HD22 LEU A 2 117.640 -6.403 -27.677 1.00 0.00 H new ATOM 0 HD23 LEU A 2 116.130 -5.556 -27.265 1.00 0.00 H new ATOM 114 N GLY A 3 116.896 -1.461 -25.694 1.00 0.00 N ATOM 115 CA GLY A 3 115.759 -0.508 -25.484 1.00 0.00 C ATOM 116 C GLY A 3 114.739 -1.105 -24.501 1.00 0.00 C ATOM 117 O GLY A 3 114.775 -2.281 -24.195 1.00 0.00 O ATOM 0 H GLY A 3 117.089 -2.088 -24.913 1.00 0.00 H new ATOM 0 HA2 GLY A 3 116.136 0.439 -25.098 1.00 0.00 H new ATOM 0 HA3 GLY A 3 115.274 -0.294 -26.436 1.00 0.00 H new ATOM 121 N GLY A 4 113.822 -0.298 -24.009 1.00 0.00 N ATOM 122 CA GLY A 4 112.795 -0.819 -23.051 1.00 0.00 C ATOM 123 C GLY A 4 112.074 0.347 -22.349 1.00 0.00 C ATOM 124 O GLY A 4 112.682 1.330 -21.974 1.00 0.00 O ATOM 0 H GLY A 4 113.743 0.695 -24.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 112.070 -1.435 -23.584 1.00 0.00 H new ATOM 0 HA3 GLY A 4 113.272 -1.459 -22.309 1.00 0.00 H new ATOM 128 N SER A 5 110.779 0.230 -22.163 1.00 0.00 N ATOM 129 CA SER A 5 109.998 1.314 -21.478 1.00 0.00 C ATOM 130 C SER A 5 109.317 0.747 -20.222 1.00 0.00 C ATOM 131 O SER A 5 109.636 -0.344 -19.791 1.00 0.00 O ATOM 132 CB SER A 5 108.952 1.750 -22.502 1.00 0.00 C ATOM 133 OG SER A 5 109.471 2.823 -23.276 1.00 0.00 O ATOM 0 H SER A 5 110.226 -0.574 -22.458 1.00 0.00 H new ATOM 0 HA SER A 5 110.626 2.146 -21.158 1.00 0.00 H new ATOM 0 HB2 SER A 5 108.689 0.913 -23.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 108.038 2.060 -21.996 1.00 0.00 H new ATOM 0 HG SER A 5 108.803 3.104 -23.935 1.00 0.00 H new ATOM 139 N SER A 6 108.383 1.462 -19.624 1.00 0.00 N ATOM 140 CA SER A 6 107.720 0.901 -18.399 1.00 0.00 C ATOM 141 C SER A 6 106.504 1.659 -17.938 1.00 0.00 C ATOM 142 O SER A 6 106.178 2.746 -18.373 1.00 0.00 O ATOM 143 CB SER A 6 108.692 1.104 -17.239 1.00 0.00 C ATOM 144 OG SER A 6 109.910 0.414 -17.483 1.00 0.00 O ATOM 0 H SER A 6 108.060 2.383 -19.922 1.00 0.00 H new ATOM 0 HA SER A 6 107.446 -0.123 -18.653 1.00 0.00 H new ATOM 0 HB2 SER A 6 108.890 2.167 -17.105 1.00 0.00 H new ATOM 0 HB3 SER A 6 108.243 0.744 -16.313 1.00 0.00 H new ATOM 0 HG SER A 6 109.734 -0.372 -18.041 1.00 0.00 H new ATOM 150 N ASP A 7 105.965 1.109 -16.898 1.00 0.00 N ATOM 151 CA ASP A 7 104.893 1.742 -16.142 1.00 0.00 C ATOM 152 C ASP A 7 105.571 1.980 -14.799 1.00 0.00 C ATOM 153 O ASP A 7 105.103 1.574 -13.758 1.00 0.00 O ATOM 154 CB ASP A 7 103.751 0.720 -16.056 1.00 0.00 C ATOM 155 CG ASP A 7 104.207 -0.516 -15.275 1.00 0.00 C ATOM 156 OD1 ASP A 7 104.850 -1.365 -15.868 1.00 0.00 O ATOM 157 OD2 ASP A 7 103.900 -0.592 -14.096 1.00 0.00 O ATOM 0 H ASP A 7 106.248 0.199 -16.533 1.00 0.00 H new ATOM 0 HA ASP A 7 104.468 2.660 -16.549 1.00 0.00 H new ATOM 0 HB2 ASP A 7 102.887 1.170 -15.568 1.00 0.00 H new ATOM 0 HB3 ASP A 7 103.436 0.430 -17.058 1.00 0.00 H new ATOM 162 N ALA A 8 106.756 2.559 -14.866 1.00 0.00 N ATOM 163 CA ALA A 8 107.590 2.773 -13.648 1.00 0.00 C ATOM 164 C ALA A 8 107.798 4.258 -13.342 1.00 0.00 C ATOM 165 O ALA A 8 108.530 4.596 -12.435 1.00 0.00 O ATOM 166 CB ALA A 8 108.935 2.124 -13.985 1.00 0.00 C ATOM 0 H ALA A 8 107.179 2.894 -15.732 1.00 0.00 H new ATOM 0 HA ALA A 8 107.110 2.348 -12.766 1.00 0.00 H new ATOM 0 HB1 ALA A 8 109.614 2.235 -13.140 1.00 0.00 H new ATOM 0 HB2 ALA A 8 108.786 1.065 -14.194 1.00 0.00 H new ATOM 0 HB3 ALA A 8 109.364 2.610 -14.861 1.00 0.00 H new ATOM 172 N GLY A 9 107.166 5.147 -14.070 1.00 0.00 N ATOM 173 CA GLY A 9 107.326 6.608 -13.777 1.00 0.00 C ATOM 174 C GLY A 9 107.309 6.807 -12.258 1.00 0.00 C ATOM 175 O GLY A 9 107.988 7.657 -11.717 1.00 0.00 O ATOM 0 H GLY A 9 106.549 4.926 -14.851 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.262 6.978 -14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 9 106.521 7.177 -14.242 1.00 0.00 H new ATOM 179 N LEU A 10 106.546 5.996 -11.572 1.00 0.00 N ATOM 180 CA LEU A 10 106.480 6.082 -10.085 1.00 0.00 C ATOM 181 C LEU A 10 107.891 6.003 -9.498 1.00 0.00 C ATOM 182 O LEU A 10 108.173 6.550 -8.451 1.00 0.00 O ATOM 183 CB LEU A 10 105.646 4.866 -9.655 1.00 0.00 C ATOM 184 CG LEU A 10 106.269 3.572 -10.210 1.00 0.00 C ATOM 185 CD1 LEU A 10 107.338 3.055 -9.246 1.00 0.00 C ATOM 186 CD2 LEU A 10 105.182 2.506 -10.381 1.00 0.00 C ATOM 0 H LEU A 10 105.960 5.270 -11.985 1.00 0.00 H new ATOM 0 HA LEU A 10 106.041 7.017 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 10 105.595 4.817 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 10 104.623 4.971 -10.017 1.00 0.00 H new ATOM 0 HG LEU A 10 106.726 3.785 -11.177 1.00 0.00 H new ATOM 0 HD11 LEU A 10 107.775 2.139 -9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 10 108.117 3.808 -9.129 1.00 0.00 H new ATOM 0 HD13 LEU A 10 106.885 2.849 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 10 105.627 1.592 -10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 10 104.721 2.299 -9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 10 104.424 2.868 -11.075 1.00 0.00 H new ATOM 198 N ALA A 11 108.779 5.331 -10.172 1.00 0.00 N ATOM 199 CA ALA A 11 110.176 5.216 -9.669 1.00 0.00 C ATOM 200 C ALA A 11 111.012 6.395 -10.172 1.00 0.00 C ATOM 201 O ALA A 11 111.542 7.168 -9.397 1.00 0.00 O ATOM 202 CB ALA A 11 110.699 3.903 -10.248 1.00 0.00 C ATOM 0 H ALA A 11 108.597 4.853 -11.055 1.00 0.00 H new ATOM 0 HA ALA A 11 110.227 5.229 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 11 111.727 3.745 -9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 11 110.077 3.078 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 11 110.666 3.947 -11.337 1.00 0.00 H new ATOM 208 N THR A 12 111.131 6.538 -11.467 1.00 0.00 N ATOM 209 CA THR A 12 111.934 7.666 -12.030 1.00 0.00 C ATOM 210 C THR A 12 111.459 9.002 -11.455 1.00 0.00 C ATOM 211 O THR A 12 112.250 9.817 -11.019 1.00 0.00 O ATOM 212 CB THR A 12 111.684 7.620 -13.539 1.00 0.00 C ATOM 213 OG1 THR A 12 110.285 7.632 -13.781 1.00 0.00 O ATOM 214 CG2 THR A 12 112.293 6.347 -14.128 1.00 0.00 C ATOM 0 H THR A 12 110.706 5.922 -12.160 1.00 0.00 H new ATOM 0 HA THR A 12 112.992 7.573 -11.785 1.00 0.00 H new ATOM 0 HB THR A 12 112.147 8.487 -14.009 1.00 0.00 H new ATOM 0 HG1 THR A 12 110.120 7.733 -14.742 1.00 0.00 H new ATOM 0 HG21 THR A 12 112.112 6.320 -15.202 1.00 0.00 H new ATOM 0 HG22 THR A 12 113.367 6.337 -13.941 1.00 0.00 H new ATOM 0 HG23 THR A 12 111.835 5.475 -13.661 1.00 0.00 H new ATOM 222 N ALA A 13 110.172 9.233 -11.448 1.00 0.00 N ATOM 223 CA ALA A 13 109.651 10.516 -10.897 1.00 0.00 C ATOM 224 C ALA A 13 109.886 10.564 -9.389 1.00 0.00 C ATOM 225 O ALA A 13 110.222 11.595 -8.838 1.00 0.00 O ATOM 226 CB ALA A 13 108.159 10.508 -11.210 1.00 0.00 C ATOM 0 H ALA A 13 109.462 8.590 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 13 110.147 11.386 -11.327 1.00 0.00 H new ATOM 0 HB1 ALA A 13 107.703 11.424 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 13 108.014 10.447 -12.289 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.691 9.647 -10.732 1.00 0.00 H new ATOM 232 N ALA A 14 109.719 9.454 -8.716 1.00 0.00 N ATOM 233 CA ALA A 14 109.943 9.436 -7.242 1.00 0.00 C ATOM 234 C ALA A 14 111.359 9.919 -6.930 1.00 0.00 C ATOM 235 O ALA A 14 111.553 10.830 -6.150 1.00 0.00 O ATOM 236 CB ALA A 14 109.768 7.980 -6.823 1.00 0.00 C ATOM 0 H ALA A 14 109.438 8.562 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 14 109.252 10.090 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.919 7.890 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.762 7.647 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 14 110.498 7.361 -7.345 1.00 0.00 H new ATOM 242 N ALA A 15 112.353 9.329 -7.548 1.00 0.00 N ATOM 243 CA ALA A 15 113.755 9.780 -7.299 1.00 0.00 C ATOM 244 C ALA A 15 113.845 11.290 -7.538 1.00 0.00 C ATOM 245 O ALA A 15 114.623 11.986 -6.916 1.00 0.00 O ATOM 246 CB ALA A 15 114.613 9.017 -8.311 1.00 0.00 C ATOM 0 H ALA A 15 112.254 8.559 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 15 114.086 9.588 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.659 9.298 -8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.504 7.945 -8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 15 114.289 9.263 -9.322 1.00 0.00 H new ATOM 252 N ARG A 16 113.032 11.797 -8.430 1.00 0.00 N ATOM 253 CA ARG A 16 113.040 13.262 -8.711 1.00 0.00 C ATOM 254 C ARG A 16 112.037 13.980 -7.796 1.00 0.00 C ATOM 255 O ARG A 16 111.760 15.152 -7.964 1.00 0.00 O ATOM 256 CB ARG A 16 112.607 13.390 -10.175 1.00 0.00 C ATOM 257 CG ARG A 16 113.582 12.624 -11.073 1.00 0.00 C ATOM 258 CD ARG A 16 112.891 12.261 -12.391 1.00 0.00 C ATOM 259 NE ARG A 16 112.640 13.564 -13.070 1.00 0.00 N ATOM 260 CZ ARG A 16 111.844 13.621 -14.105 1.00 0.00 C ATOM 261 NH1 ARG A 16 111.870 12.672 -15.003 1.00 0.00 N ATOM 262 NH2 ARG A 16 111.023 14.625 -14.242 1.00 0.00 N ATOM 0 H ARG A 16 112.362 11.256 -8.977 1.00 0.00 H new ATOM 0 HA ARG A 16 114.018 13.710 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 16 111.598 12.998 -10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 16 112.580 14.440 -10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 16 114.465 13.232 -11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 16 113.923 11.720 -10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 16 113.521 11.614 -13.001 1.00 0.00 H new ATOM 0 HD3 ARG A 16 111.960 11.724 -12.213 1.00 0.00 H new ATOM 0 HE ARG A 16 113.090 14.412 -12.726 1.00 0.00 H new ATOM 0 HH11 ARG A 16 112.512 11.886 -14.896 1.00 0.00 H new ATOM 0 HH12 ARG A 16 111.249 12.717 -15.811 1.00 0.00 H new ATOM 0 HH21 ARG A 16 111.002 15.366 -13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 16 110.402 14.669 -15.050 1.00 0.00 H new ATOM 276 N GLY A 17 111.489 13.283 -6.832 1.00 0.00 N ATOM 277 CA GLY A 17 110.502 13.915 -5.908 1.00 0.00 C ATOM 278 C GLY A 17 109.230 14.270 -6.680 1.00 0.00 C ATOM 279 O GLY A 17 108.828 15.417 -6.739 1.00 0.00 O ATOM 0 H GLY A 17 111.685 12.299 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 17 110.265 13.233 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 17 110.930 14.812 -5.461 1.00 0.00 H new ATOM 283 N GLN A 18 108.596 13.296 -7.282 1.00 0.00 N ATOM 284 CA GLN A 18 107.353 13.581 -8.057 1.00 0.00 C ATOM 285 C GLN A 18 106.236 12.596 -7.687 1.00 0.00 C ATOM 286 O GLN A 18 105.990 11.640 -8.396 1.00 0.00 O ATOM 287 CB GLN A 18 107.758 13.395 -9.522 1.00 0.00 C ATOM 288 CG GLN A 18 108.737 14.497 -9.924 1.00 0.00 C ATOM 289 CD GLN A 18 108.573 14.820 -11.412 1.00 0.00 C ATOM 290 OE1 GLN A 18 107.758 14.226 -12.091 1.00 0.00 O ATOM 291 NE2 GLN A 18 109.319 15.745 -11.952 1.00 0.00 N ATOM 0 H GLN A 18 108.885 12.318 -7.270 1.00 0.00 H new ATOM 0 HA GLN A 18 106.966 14.579 -7.852 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.218 12.417 -9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 18 106.876 13.427 -10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 18 108.558 15.391 -9.327 1.00 0.00 H new ATOM 0 HG3 GLN A 18 109.760 14.179 -9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 18 110.003 16.244 -11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 18 109.218 15.968 -12.942 1.00 0.00 H new ATOM 300 N VAL A 19 105.544 12.826 -6.597 1.00 0.00 N ATOM 301 CA VAL A 19 104.435 11.897 -6.218 1.00 0.00 C ATOM 302 C VAL A 19 103.291 12.040 -7.226 1.00 0.00 C ATOM 303 O VAL A 19 102.560 11.104 -7.484 1.00 0.00 O ATOM 304 CB VAL A 19 103.983 12.324 -4.815 1.00 0.00 C ATOM 305 CG1 VAL A 19 102.842 11.416 -4.342 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.150 12.201 -3.835 1.00 0.00 C ATOM 0 H VAL A 19 105.697 13.608 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 19 104.750 10.854 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 19 103.642 13.359 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.523 11.722 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.002 11.497 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 19 103.188 10.383 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 19 104.824 12.505 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.492 11.166 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 19 105.968 12.843 -4.161 1.00 0.00 H new ATOM 316 N GLU A 20 103.137 13.205 -7.807 1.00 0.00 N ATOM 317 CA GLU A 20 102.045 13.395 -8.809 1.00 0.00 C ATOM 318 C GLU A 20 102.271 12.452 -9.993 1.00 0.00 C ATOM 319 O GLU A 20 101.354 11.814 -10.472 1.00 0.00 O ATOM 320 CB GLU A 20 102.129 14.861 -9.250 1.00 0.00 C ATOM 321 CG GLU A 20 103.503 15.157 -9.863 1.00 0.00 C ATOM 322 CD GLU A 20 103.643 16.664 -10.090 1.00 0.00 C ATOM 323 OE1 GLU A 20 102.995 17.169 -10.992 1.00 0.00 O ATOM 324 OE2 GLU A 20 104.393 17.287 -9.358 1.00 0.00 O ATOM 0 H GLU A 20 103.716 14.026 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 20 101.061 13.171 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.346 15.074 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 20 101.957 15.515 -8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 20 104.293 14.803 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 20 103.615 14.624 -10.807 1.00 0.00 H new ATOM 331 N THR A 21 103.491 12.339 -10.449 1.00 0.00 N ATOM 332 CA THR A 21 103.783 11.412 -11.581 1.00 0.00 C ATOM 333 C THR A 21 103.617 9.977 -11.094 1.00 0.00 C ATOM 334 O THR A 21 103.059 9.142 -11.776 1.00 0.00 O ATOM 335 CB THR A 21 105.237 11.686 -11.959 1.00 0.00 C ATOM 336 OG1 THR A 21 105.507 13.073 -11.821 1.00 0.00 O ATOM 337 CG2 THR A 21 105.488 11.262 -13.405 1.00 0.00 C ATOM 0 H THR A 21 104.297 12.848 -10.087 1.00 0.00 H new ATOM 0 HA THR A 21 103.119 11.556 -12.433 1.00 0.00 H new ATOM 0 HB THR A 21 105.892 11.116 -11.300 1.00 0.00 H new ATOM 0 HG1 THR A 21 106.372 13.280 -12.233 1.00 0.00 H new ATOM 0 HG21 THR A 21 106.527 11.461 -13.667 1.00 0.00 H new ATOM 0 HG22 THR A 21 105.284 10.197 -13.512 1.00 0.00 H new ATOM 0 HG23 THR A 21 104.832 11.826 -14.069 1.00 0.00 H new ATOM 345 N VAL A 22 104.078 9.690 -9.902 1.00 0.00 N ATOM 346 CA VAL A 22 103.920 8.310 -9.362 1.00 0.00 C ATOM 347 C VAL A 22 102.430 8.004 -9.255 1.00 0.00 C ATOM 348 O VAL A 22 101.993 6.896 -9.492 1.00 0.00 O ATOM 349 CB VAL A 22 104.593 8.320 -7.985 1.00 0.00 C ATOM 350 CG1 VAL A 22 104.656 6.888 -7.437 1.00 0.00 C ATOM 351 CG2 VAL A 22 106.019 8.877 -8.108 1.00 0.00 C ATOM 0 H VAL A 22 104.553 10.349 -9.285 1.00 0.00 H new ATOM 0 HA VAL A 22 104.371 7.546 -9.995 1.00 0.00 H new ATOM 0 HB VAL A 22 104.015 8.949 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 22 105.135 6.894 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 22 103.646 6.489 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 22 105.232 6.263 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 22 106.493 8.882 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 22 106.597 8.250 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 22 105.980 9.894 -8.498 1.00 0.00 H new ATOM 361 N ARG A 23 101.639 8.998 -8.947 1.00 0.00 N ATOM 362 CA ARG A 23 100.171 8.781 -8.882 1.00 0.00 C ATOM 363 C ARG A 23 99.660 8.565 -10.309 1.00 0.00 C ATOM 364 O ARG A 23 98.733 7.820 -10.547 1.00 0.00 O ATOM 365 CB ARG A 23 99.583 10.074 -8.295 1.00 0.00 C ATOM 366 CG ARG A 23 100.022 10.242 -6.836 1.00 0.00 C ATOM 367 CD ARG A 23 98.909 9.752 -5.903 1.00 0.00 C ATOM 368 NE ARG A 23 99.037 10.585 -4.673 1.00 0.00 N ATOM 369 CZ ARG A 23 99.069 10.016 -3.497 1.00 0.00 C ATOM 370 NH1 ARG A 23 97.958 9.754 -2.867 1.00 0.00 N ATOM 371 NH2 ARG A 23 100.214 9.713 -2.949 1.00 0.00 N ATOM 0 H ARG A 23 101.949 9.947 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 23 99.894 7.918 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 23 99.913 10.931 -8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 23 98.495 10.047 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 23 100.937 9.678 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 23 100.247 11.289 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 23 97.928 9.875 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 23 99.024 8.692 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 23 99.100 11.600 -4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 23 97.062 9.993 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 23 97.985 9.310 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 23 101.084 9.920 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 23 100.238 9.269 -2.031 1.00 0.00 H new ATOM 385 N GLN A 24 100.272 9.226 -11.259 1.00 0.00 N ATOM 386 CA GLN A 24 99.839 9.085 -12.682 1.00 0.00 C ATOM 387 C GLN A 24 100.306 7.745 -13.272 1.00 0.00 C ATOM 388 O GLN A 24 99.514 6.987 -13.797 1.00 0.00 O ATOM 389 CB GLN A 24 100.494 10.260 -13.409 1.00 0.00 C ATOM 390 CG GLN A 24 99.463 11.374 -13.612 1.00 0.00 C ATOM 391 CD GLN A 24 99.399 12.250 -12.362 1.00 0.00 C ATOM 392 OE1 GLN A 24 100.197 13.150 -12.197 1.00 0.00 O ATOM 393 NE2 GLN A 24 98.479 12.023 -11.466 1.00 0.00 N ATOM 0 H GLN A 24 101.057 9.860 -11.109 1.00 0.00 H new ATOM 0 HA GLN A 24 98.754 9.095 -12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 24 101.339 10.633 -12.831 1.00 0.00 H new ATOM 0 HB3 GLN A 24 100.886 9.933 -14.372 1.00 0.00 H new ATOM 0 HG2 GLN A 24 99.732 11.979 -14.478 1.00 0.00 H new ATOM 0 HG3 GLN A 24 98.483 10.943 -13.816 1.00 0.00 H new ATOM 0 HE21 GLN A 24 97.808 11.267 -11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 24 98.430 12.601 -10.627 1.00 0.00 H new ATOM 402 N LEU A 25 101.578 7.441 -13.189 1.00 0.00 N ATOM 403 CA LEU A 25 102.072 6.138 -13.745 1.00 0.00 C ATOM 404 C LEU A 25 101.285 4.984 -13.101 1.00 0.00 C ATOM 405 O LEU A 25 101.159 3.918 -13.669 1.00 0.00 O ATOM 406 CB LEU A 25 103.578 6.087 -13.377 1.00 0.00 C ATOM 407 CG LEU A 25 104.275 4.803 -13.918 1.00 0.00 C ATOM 408 CD1 LEU A 25 103.747 3.588 -13.151 1.00 0.00 C ATOM 409 CD2 LEU A 25 104.000 4.649 -15.419 1.00 0.00 C ATOM 0 H LEU A 25 102.293 8.032 -12.764 1.00 0.00 H new ATOM 0 HA LEU A 25 101.936 6.048 -14.823 1.00 0.00 H new ATOM 0 HB2 LEU A 25 104.079 6.967 -13.781 1.00 0.00 H new ATOM 0 HB3 LEU A 25 103.687 6.128 -12.293 1.00 0.00 H new ATOM 0 HG LEU A 25 105.353 4.881 -13.773 1.00 0.00 H new ATOM 0 HD11 LEU A 25 104.230 2.685 -13.524 1.00 0.00 H new ATOM 0 HD12 LEU A 25 103.965 3.705 -12.090 1.00 0.00 H new ATOM 0 HD13 LEU A 25 102.669 3.508 -13.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 104.491 3.749 -15.788 1.00 0.00 H new ATOM 0 HD22 LEU A 25 102.926 4.571 -15.586 1.00 0.00 H new ATOM 0 HD23 LEU A 25 104.387 5.518 -15.951 1.00 0.00 H new ATOM 421 N LEU A 26 100.756 5.187 -11.915 1.00 0.00 N ATOM 422 CA LEU A 26 99.988 4.093 -11.236 1.00 0.00 C ATOM 423 C LEU A 26 98.481 4.218 -11.487 1.00 0.00 C ATOM 424 O LEU A 26 97.889 3.396 -12.159 1.00 0.00 O ATOM 425 CB LEU A 26 100.286 4.253 -9.740 1.00 0.00 C ATOM 426 CG LEU A 26 100.562 2.881 -9.116 1.00 0.00 C ATOM 427 CD1 LEU A 26 99.370 1.950 -9.357 1.00 0.00 C ATOM 428 CD2 LEU A 26 101.817 2.276 -9.751 1.00 0.00 C ATOM 0 H LEU A 26 100.823 6.059 -11.391 1.00 0.00 H new ATOM 0 HA LEU A 26 100.283 3.116 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 26 101.147 4.907 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 26 99.441 4.727 -9.240 1.00 0.00 H new ATOM 0 HG LEU A 26 100.714 2.999 -8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 26 99.573 0.976 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 26 98.476 2.378 -8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 26 99.211 1.832 -10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 26 102.015 1.300 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 26 101.663 2.163 -10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 26 102.668 2.934 -9.574 1.00 0.00 H new ATOM 440 N GLU A 27 97.852 5.226 -10.935 1.00 0.00 N ATOM 441 CA GLU A 27 96.373 5.390 -11.122 1.00 0.00 C ATOM 442 C GLU A 27 95.980 5.308 -12.603 1.00 0.00 C ATOM 443 O GLU A 27 94.829 5.096 -12.930 1.00 0.00 O ATOM 444 CB GLU A 27 96.045 6.773 -10.556 1.00 0.00 C ATOM 445 CG GLU A 27 96.384 6.805 -9.063 1.00 0.00 C ATOM 446 CD GLU A 27 95.658 7.973 -8.394 1.00 0.00 C ATOM 447 OE1 GLU A 27 95.864 9.097 -8.822 1.00 0.00 O ATOM 448 OE2 GLU A 27 94.910 7.725 -7.462 1.00 0.00 O ATOM 0 H GLU A 27 98.297 5.943 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 27 95.821 4.597 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 27 96.612 7.539 -11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 27 94.989 6.998 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 27 96.091 5.866 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 27 97.461 6.908 -8.927 1.00 0.00 H new ATOM 455 N ALA A 28 96.915 5.473 -13.501 1.00 0.00 N ATOM 456 CA ALA A 28 96.572 5.401 -14.953 1.00 0.00 C ATOM 457 C ALA A 28 96.349 3.944 -15.394 1.00 0.00 C ATOM 458 O ALA A 28 96.108 3.677 -16.555 1.00 0.00 O ATOM 459 CB ALA A 28 97.777 6.005 -15.674 1.00 0.00 C ATOM 0 H ALA A 28 97.897 5.654 -13.294 1.00 0.00 H new ATOM 0 HA ALA A 28 95.648 5.934 -15.179 1.00 0.00 H new ATOM 0 HB1 ALA A 28 97.603 5.989 -16.750 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.920 7.034 -15.345 1.00 0.00 H new ATOM 0 HB3 ALA A 28 98.669 5.423 -15.442 1.00 0.00 H new ATOM 465 N GLY A 29 96.420 3.001 -14.486 1.00 0.00 N ATOM 466 CA GLY A 29 96.205 1.585 -14.867 1.00 0.00 C ATOM 467 C GLY A 29 97.539 0.948 -15.250 1.00 0.00 C ATOM 468 O GLY A 29 97.812 0.706 -16.410 1.00 0.00 O ATOM 0 H GLY A 29 96.618 3.159 -13.498 1.00 0.00 H new ATOM 0 HA2 GLY A 29 95.755 1.039 -14.038 1.00 0.00 H new ATOM 0 HA3 GLY A 29 95.509 1.525 -15.703 1.00 0.00 H new ATOM 472 N ALA A 30 98.378 0.685 -14.284 1.00 0.00 N ATOM 473 CA ALA A 30 99.707 0.073 -14.596 1.00 0.00 C ATOM 474 C ALA A 30 100.010 -1.111 -13.669 1.00 0.00 C ATOM 475 O ALA A 30 99.148 -1.614 -12.976 1.00 0.00 O ATOM 476 CB ALA A 30 100.714 1.195 -14.357 1.00 0.00 C ATOM 0 H ALA A 30 98.204 0.866 -13.295 1.00 0.00 H new ATOM 0 HA ALA A 30 99.740 -0.318 -15.613 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.720 0.831 -14.563 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.489 2.033 -15.017 1.00 0.00 H new ATOM 0 HB3 ALA A 30 100.653 1.524 -13.320 1.00 0.00 H new ATOM 482 N ASP A 31 101.243 -1.551 -13.660 1.00 0.00 N ATOM 483 CA ASP A 31 101.640 -2.696 -12.788 1.00 0.00 C ATOM 484 C ASP A 31 102.353 -2.168 -11.539 1.00 0.00 C ATOM 485 O ASP A 31 103.126 -1.235 -11.623 1.00 0.00 O ATOM 486 CB ASP A 31 102.609 -3.523 -13.639 1.00 0.00 C ATOM 487 CG ASP A 31 101.922 -4.813 -14.091 1.00 0.00 C ATOM 488 OD1 ASP A 31 100.722 -4.777 -14.310 1.00 0.00 O ATOM 489 OD2 ASP A 31 102.608 -5.815 -14.209 1.00 0.00 O ATOM 0 H ASP A 31 101.998 -1.162 -14.225 1.00 0.00 H new ATOM 0 HA ASP A 31 100.785 -3.284 -12.455 1.00 0.00 H new ATOM 0 HB2 ASP A 31 102.930 -2.947 -14.507 1.00 0.00 H new ATOM 0 HB3 ASP A 31 103.504 -3.758 -13.064 1.00 0.00 H new ATOM 494 N PRO A 32 102.076 -2.778 -10.413 1.00 0.00 N ATOM 495 CA PRO A 32 102.714 -2.338 -9.150 1.00 0.00 C ATOM 496 C PRO A 32 104.185 -2.777 -9.086 1.00 0.00 C ATOM 497 O PRO A 32 104.843 -2.589 -8.081 1.00 0.00 O ATOM 498 CB PRO A 32 101.893 -3.038 -8.072 1.00 0.00 C ATOM 499 CG PRO A 32 101.308 -4.240 -8.742 1.00 0.00 C ATOM 500 CD PRO A 32 101.157 -3.908 -10.205 1.00 0.00 C ATOM 0 HA PRO A 32 102.726 -1.253 -9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 32 102.517 -3.324 -7.225 1.00 0.00 H new ATOM 0 HB3 PRO A 32 101.112 -2.384 -7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 32 101.955 -5.107 -8.609 1.00 0.00 H new ATOM 0 HG3 PRO A 32 100.343 -4.493 -8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 32 101.420 -4.757 -10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 32 100.130 -3.636 -10.448 1.00 0.00 H new ATOM 508 N ASN A 33 104.713 -3.357 -10.137 1.00 0.00 N ATOM 509 CA ASN A 33 106.140 -3.796 -10.096 1.00 0.00 C ATOM 510 C ASN A 33 106.885 -3.385 -11.372 1.00 0.00 C ATOM 511 O ASN A 33 107.659 -4.150 -11.914 1.00 0.00 O ATOM 512 CB ASN A 33 106.092 -5.320 -9.990 1.00 0.00 C ATOM 513 CG ASN A 33 105.313 -5.729 -8.739 1.00 0.00 C ATOM 514 OD1 ASN A 33 105.757 -5.376 -7.565 1.00 0.00 O flip ATOM 515 ND2 ASN A 33 104.290 -6.379 -8.832 1.00 0.00 N flip ATOM 0 H ASN A 33 104.222 -3.543 -11.012 1.00 0.00 H new ATOM 0 HA ASN A 33 106.669 -3.336 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.619 -5.741 -10.877 1.00 0.00 H new ATOM 0 HB3 ASN A 33 107.104 -5.723 -9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 33 103.943 -6.655 -9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 33 103.779 -6.648 -7.991 1.00 0.00 H new ATOM 522 N ALA A 34 106.676 -2.189 -11.852 1.00 0.00 N ATOM 523 CA ALA A 34 107.399 -1.753 -13.084 1.00 0.00 C ATOM 524 C ALA A 34 108.887 -1.576 -12.759 1.00 0.00 C ATOM 525 O ALA A 34 109.364 -0.478 -12.545 1.00 0.00 O ATOM 526 CB ALA A 34 106.759 -0.422 -13.480 1.00 0.00 C ATOM 0 H ALA A 34 106.042 -1.499 -11.449 1.00 0.00 H new ATOM 0 HA ALA A 34 107.328 -2.477 -13.896 1.00 0.00 H new ATOM 0 HB1 ALA A 34 107.241 -0.040 -14.380 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.697 -0.572 -13.673 1.00 0.00 H new ATOM 0 HB3 ALA A 34 106.883 0.296 -12.670 1.00 0.00 H new ATOM 532 N LEU A 35 109.615 -2.660 -12.704 1.00 0.00 N ATOM 533 CA LEU A 35 111.072 -2.588 -12.374 1.00 0.00 C ATOM 534 C LEU A 35 111.787 -1.537 -13.228 1.00 0.00 C ATOM 535 O LEU A 35 111.330 -1.165 -14.291 1.00 0.00 O ATOM 536 CB LEU A 35 111.615 -3.981 -12.695 1.00 0.00 C ATOM 537 CG LEU A 35 111.570 -4.857 -11.443 1.00 0.00 C ATOM 538 CD1 LEU A 35 111.967 -6.289 -11.809 1.00 0.00 C ATOM 539 CD2 LEU A 35 112.548 -4.309 -10.401 1.00 0.00 C ATOM 0 H LEU A 35 109.261 -3.601 -12.875 1.00 0.00 H new ATOM 0 HA LEU A 35 111.232 -2.301 -11.335 1.00 0.00 H new ATOM 0 HB2 LEU A 35 111.025 -4.437 -13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 35 112.639 -3.906 -13.061 1.00 0.00 H new ATOM 0 HG LEU A 35 110.560 -4.852 -11.032 1.00 0.00 H new ATOM 0 HD11 LEU A 35 111.935 -6.915 -10.917 1.00 0.00 H new ATOM 0 HD12 LEU A 35 111.272 -6.681 -12.552 1.00 0.00 H new ATOM 0 HD13 LEU A 35 112.977 -6.293 -12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 35 112.516 -4.933 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 35 113.558 -4.314 -10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 35 112.268 -3.288 -10.140 1.00 0.00 H new ATOM 551 N ASN A 36 112.917 -1.073 -12.767 1.00 0.00 N ATOM 552 CA ASN A 36 113.691 -0.060 -13.538 1.00 0.00 C ATOM 553 C ASN A 36 115.084 -0.615 -13.841 1.00 0.00 C ATOM 554 O ASN A 36 115.552 -1.524 -13.183 1.00 0.00 O ATOM 555 CB ASN A 36 113.785 1.162 -12.620 1.00 0.00 C ATOM 556 CG ASN A 36 114.483 2.309 -13.359 1.00 0.00 C ATOM 557 OD1 ASN A 36 114.690 2.242 -14.555 1.00 0.00 O ATOM 558 ND2 ASN A 36 114.855 3.370 -12.694 1.00 0.00 N ATOM 0 H ASN A 36 113.340 -1.355 -11.883 1.00 0.00 H new ATOM 0 HA ASN A 36 113.223 0.193 -14.489 1.00 0.00 H new ATOM 0 HB2 ASN A 36 112.788 1.471 -12.307 1.00 0.00 H new ATOM 0 HB3 ASN A 36 114.339 0.908 -11.716 1.00 0.00 H new ATOM 0 HD21 ASN A 36 115.318 4.139 -13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 36 114.683 3.429 -11.690 1.00 0.00 H new ATOM 565 N ARG A 37 115.751 -0.084 -14.830 1.00 0.00 N ATOM 566 CA ARG A 37 117.115 -0.593 -15.169 1.00 0.00 C ATOM 567 C ARG A 37 118.026 -0.555 -13.936 1.00 0.00 C ATOM 568 O ARG A 37 119.002 -1.274 -13.855 1.00 0.00 O ATOM 569 CB ARG A 37 117.637 0.348 -16.258 1.00 0.00 C ATOM 570 CG ARG A 37 117.715 1.780 -15.716 1.00 0.00 C ATOM 571 CD ARG A 37 116.983 2.739 -16.664 1.00 0.00 C ATOM 572 NE ARG A 37 117.525 2.449 -18.025 1.00 0.00 N ATOM 573 CZ ARG A 37 118.784 2.669 -18.295 1.00 0.00 C ATOM 574 NH1 ARG A 37 119.361 3.767 -17.885 1.00 0.00 N ATOM 575 NH2 ARG A 37 119.466 1.790 -18.977 1.00 0.00 N ATOM 0 H ARG A 37 115.413 0.678 -15.418 1.00 0.00 H new ATOM 0 HA ARG A 37 117.091 -1.629 -15.507 1.00 0.00 H new ATOM 0 HB2 ARG A 37 118.622 0.022 -16.591 1.00 0.00 H new ATOM 0 HB3 ARG A 37 116.979 0.314 -17.126 1.00 0.00 H new ATOM 0 HG2 ARG A 37 117.269 1.827 -14.722 1.00 0.00 H new ATOM 0 HG3 ARG A 37 118.757 2.082 -15.612 1.00 0.00 H new ATOM 0 HD2 ARG A 37 115.905 2.579 -16.629 1.00 0.00 H new ATOM 0 HD3 ARG A 37 117.160 3.778 -16.385 1.00 0.00 H new ATOM 0 HE ARG A 37 116.909 2.077 -18.748 1.00 0.00 H new ATOM 0 HH11 ARG A 37 118.828 4.455 -17.353 1.00 0.00 H new ATOM 0 HH12 ARG A 37 120.344 3.936 -18.097 1.00 0.00 H new ATOM 0 HH21 ARG A 37 119.016 0.933 -19.298 1.00 0.00 H new ATOM 0 HH22 ARG A 37 120.449 1.960 -19.189 1.00 0.00 H new ATOM 589 N PHE A 38 117.712 0.274 -12.976 1.00 0.00 N ATOM 590 CA PHE A 38 118.559 0.350 -11.751 1.00 0.00 C ATOM 591 C PHE A 38 118.270 -0.840 -10.828 1.00 0.00 C ATOM 592 O PHE A 38 118.974 -1.071 -9.864 1.00 0.00 O ATOM 593 CB PHE A 38 118.163 1.664 -11.073 1.00 0.00 C ATOM 594 CG PHE A 38 118.867 2.819 -11.749 1.00 0.00 C ATOM 595 CD1 PHE A 38 120.254 2.781 -11.945 1.00 0.00 C ATOM 596 CD2 PHE A 38 118.131 3.931 -12.176 1.00 0.00 C ATOM 597 CE1 PHE A 38 120.903 3.853 -12.569 1.00 0.00 C ATOM 598 CE2 PHE A 38 118.781 5.004 -12.800 1.00 0.00 C ATOM 599 CZ PHE A 38 120.166 4.964 -12.996 1.00 0.00 C ATOM 0 H PHE A 38 116.907 0.900 -12.987 1.00 0.00 H new ATOM 0 HA PHE A 38 119.623 0.317 -11.985 1.00 0.00 H new ATOM 0 HB2 PHE A 38 117.083 1.802 -11.128 1.00 0.00 H new ATOM 0 HB3 PHE A 38 118.427 1.633 -10.016 1.00 0.00 H new ATOM 0 HD1 PHE A 38 120.823 1.924 -11.615 1.00 0.00 H new ATOM 0 HD2 PHE A 38 117.062 3.962 -12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 38 121.972 3.823 -12.721 1.00 0.00 H new ATOM 0 HE2 PHE A 38 118.213 5.862 -13.130 1.00 0.00 H new ATOM 0 HZ PHE A 38 120.667 5.791 -13.477 1.00 0.00 H new ATOM 609 N GLY A 39 117.243 -1.600 -11.116 1.00 0.00 N ATOM 610 CA GLY A 39 116.911 -2.774 -10.262 1.00 0.00 C ATOM 611 C GLY A 39 116.801 -2.341 -8.798 1.00 0.00 C ATOM 612 O GLY A 39 117.050 -3.113 -7.893 1.00 0.00 O ATOM 0 H GLY A 39 116.620 -1.454 -11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 39 115.971 -3.219 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 39 117.680 -3.540 -10.367 1.00 0.00 H new ATOM 616 N ARG A 40 116.428 -1.112 -8.560 1.00 0.00 N ATOM 617 CA ARG A 40 116.299 -0.630 -7.154 1.00 0.00 C ATOM 618 C ARG A 40 114.826 -0.608 -6.739 1.00 0.00 C ATOM 619 O ARG A 40 114.384 0.280 -6.039 1.00 0.00 O ATOM 620 CB ARG A 40 116.873 0.788 -7.163 1.00 0.00 C ATOM 621 CG ARG A 40 118.376 0.734 -6.882 1.00 0.00 C ATOM 622 CD ARG A 40 118.796 1.980 -6.098 1.00 0.00 C ATOM 623 NE ARG A 40 118.477 3.128 -6.993 1.00 0.00 N ATOM 624 CZ ARG A 40 118.798 4.342 -6.636 1.00 0.00 C ATOM 625 NH1 ARG A 40 118.601 4.734 -5.407 1.00 0.00 N ATOM 626 NH2 ARG A 40 119.317 5.163 -7.508 1.00 0.00 N ATOM 0 H ARG A 40 116.207 -0.422 -9.278 1.00 0.00 H new ATOM 0 HA ARG A 40 116.821 -1.275 -6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 40 116.690 1.259 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 40 116.374 1.398 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 40 118.618 -0.164 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 40 118.930 0.678 -7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 40 118.255 2.053 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 40 119.858 1.953 -5.855 1.00 0.00 H new ATOM 0 HE ARG A 40 118.008 2.965 -7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 40 118.196 4.092 -4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 40 118.852 5.682 -5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 40 119.472 4.856 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 40 119.568 6.112 -7.229 1.00 0.00 H new ATOM 640 N ARG A 41 114.062 -1.581 -7.167 1.00 0.00 N ATOM 641 CA ARG A 41 112.612 -1.623 -6.800 1.00 0.00 C ATOM 642 C ARG A 41 111.931 -0.285 -7.126 1.00 0.00 C ATOM 643 O ARG A 41 112.573 0.645 -7.572 1.00 0.00 O ATOM 644 CB ARG A 41 112.589 -1.884 -5.291 1.00 0.00 C ATOM 645 CG ARG A 41 112.120 -3.316 -5.024 1.00 0.00 C ATOM 646 CD ARG A 41 113.289 -4.284 -5.227 1.00 0.00 C ATOM 647 NE ARG A 41 112.716 -5.431 -5.988 1.00 0.00 N ATOM 648 CZ ARG A 41 113.446 -6.066 -6.869 1.00 0.00 C ATOM 649 NH1 ARG A 41 114.742 -6.137 -6.719 1.00 0.00 N ATOM 650 NH2 ARG A 41 112.878 -6.633 -7.898 1.00 0.00 N ATOM 0 H ARG A 41 114.380 -2.350 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 41 112.074 -2.391 -7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 41 113.583 -1.732 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 41 111.923 -1.175 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 41 111.737 -3.401 -4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 41 111.301 -3.573 -5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 41 114.101 -3.811 -5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 41 113.701 -4.611 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 41 111.753 -5.721 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 41 115.187 -5.697 -5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 41 115.309 -6.633 -7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 41 111.866 -6.581 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 41 113.446 -7.128 -8.585 1.00 0.00 H new ATOM 664 N PRO A 42 110.645 -0.232 -6.895 1.00 0.00 N ATOM 665 CA PRO A 42 109.879 1.003 -7.169 1.00 0.00 C ATOM 666 C PRO A 42 110.029 2.005 -6.016 1.00 0.00 C ATOM 667 O PRO A 42 109.870 3.196 -6.197 1.00 0.00 O ATOM 668 CB PRO A 42 108.440 0.511 -7.273 1.00 0.00 C ATOM 669 CG PRO A 42 108.388 -0.753 -6.469 1.00 0.00 C ATOM 670 CD PRO A 42 109.790 -1.305 -6.373 1.00 0.00 C ATOM 0 HA PRO A 42 110.218 1.524 -8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 42 107.743 1.253 -6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 42 108.162 0.327 -8.311 1.00 0.00 H new ATOM 0 HG2 PRO A 42 107.988 -0.556 -5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.725 -1.478 -6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 42 110.049 -1.553 -5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.898 -2.218 -6.958 1.00 0.00 H new ATOM 678 N ILE A 43 110.322 1.533 -4.830 1.00 0.00 N ATOM 679 CA ILE A 43 110.467 2.465 -3.671 1.00 0.00 C ATOM 680 C ILE A 43 111.946 2.706 -3.345 1.00 0.00 C ATOM 681 O ILE A 43 112.348 3.812 -3.044 1.00 0.00 O ATOM 682 CB ILE A 43 109.759 1.762 -2.508 1.00 0.00 C ATOM 683 CG1 ILE A 43 108.251 1.743 -2.776 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.032 2.513 -1.199 1.00 0.00 C ATOM 685 CD1 ILE A 43 107.519 1.122 -1.583 1.00 0.00 C ATOM 0 H ILE A 43 110.466 0.546 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 43 110.038 3.445 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 43 110.134 0.742 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 43 107.890 2.757 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 43 108.040 1.172 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 43 109.525 2.007 -0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.105 2.532 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 43 109.660 3.534 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 43 106.447 1.111 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 43 107.870 0.101 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 43 107.718 1.711 -0.688 1.00 0.00 H new ATOM 697 N GLN A 44 112.759 1.684 -3.394 1.00 0.00 N ATOM 698 CA GLN A 44 114.210 1.865 -3.075 1.00 0.00 C ATOM 699 C GLN A 44 114.812 3.010 -3.905 1.00 0.00 C ATOM 700 O GLN A 44 115.836 3.564 -3.557 1.00 0.00 O ATOM 701 CB GLN A 44 114.874 0.532 -3.439 1.00 0.00 C ATOM 702 CG GLN A 44 115.579 -0.050 -2.209 1.00 0.00 C ATOM 703 CD GLN A 44 116.976 -0.536 -2.601 1.00 0.00 C ATOM 704 OE1 GLN A 44 117.097 -1.549 -3.415 1.00 0.00 O flip ATOM 705 NE2 GLN A 44 117.967 0.012 -2.162 1.00 0.00 N flip ATOM 0 H GLN A 44 112.484 0.733 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 44 114.363 2.125 -2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 44 114.125 -0.170 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 44 115.593 0.681 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 44 115.652 0.706 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 44 114.997 -0.876 -1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 44 117.872 0.804 -1.526 1.00 0.00 H new ATOM 0 HE22 GLN A 44 118.894 -0.319 -2.429 1.00 0.00 H new ATOM 714 N VAL A 45 114.187 3.365 -4.998 1.00 0.00 N ATOM 715 CA VAL A 45 114.730 4.469 -5.845 1.00 0.00 C ATOM 716 C VAL A 45 113.783 5.677 -5.841 1.00 0.00 C ATOM 717 O VAL A 45 113.515 6.266 -6.870 1.00 0.00 O ATOM 718 CB VAL A 45 114.844 3.870 -7.252 1.00 0.00 C ATOM 719 CG1 VAL A 45 113.448 3.573 -7.812 1.00 0.00 C ATOM 720 CG2 VAL A 45 115.561 4.862 -8.173 1.00 0.00 C ATOM 0 H VAL A 45 113.326 2.939 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 45 115.690 4.832 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 45 115.412 2.941 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 45 113.540 3.148 -8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 45 112.938 2.863 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 45 112.872 4.497 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 45 115.642 4.436 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 45 114.993 5.791 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 45 116.558 5.065 -7.783 1.00 0.00 H new ATOM 730 N MET A 46 113.279 6.057 -4.696 1.00 0.00 N ATOM 731 CA MET A 46 112.360 7.233 -4.645 1.00 0.00 C ATOM 732 C MET A 46 113.031 8.396 -3.907 1.00 0.00 C ATOM 733 O MET A 46 112.373 9.237 -3.327 1.00 0.00 O ATOM 734 CB MET A 46 111.111 6.744 -3.895 1.00 0.00 C ATOM 735 CG MET A 46 111.406 6.596 -2.400 1.00 0.00 C ATOM 736 SD MET A 46 109.888 6.121 -1.538 1.00 0.00 S ATOM 737 CE MET A 46 110.656 5.618 0.020 1.00 0.00 C ATOM 0 H MET A 46 113.462 5.607 -3.799 1.00 0.00 H new ATOM 0 HA MET A 46 112.104 7.601 -5.639 1.00 0.00 H new ATOM 0 HB2 MET A 46 110.292 7.449 -4.042 1.00 0.00 H new ATOM 0 HB3 MET A 46 110.786 5.787 -4.304 1.00 0.00 H new ATOM 0 HG2 MET A 46 112.179 5.843 -2.242 1.00 0.00 H new ATOM 0 HG3 MET A 46 111.788 7.534 -1.998 1.00 0.00 H new ATOM 0 HE1 MET A 46 109.961 5.792 0.841 1.00 0.00 H new ATOM 0 HE2 MET A 46 110.908 4.558 -0.024 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.563 6.200 0.183 1.00 0.00 H new ATOM 747 N MET A 47 114.341 8.440 -3.923 1.00 0.00 N ATOM 748 CA MET A 47 115.082 9.538 -3.223 1.00 0.00 C ATOM 749 C MET A 47 114.924 9.427 -1.698 1.00 0.00 C ATOM 750 O MET A 47 115.496 10.202 -0.957 1.00 0.00 O ATOM 751 CB MET A 47 114.464 10.845 -3.733 1.00 0.00 C ATOM 752 CG MET A 47 115.494 11.975 -3.639 1.00 0.00 C ATOM 753 SD MET A 47 115.060 13.084 -2.275 1.00 0.00 S ATOM 754 CE MET A 47 113.519 13.720 -2.981 1.00 0.00 C ATOM 0 H MET A 47 114.934 7.757 -4.395 1.00 0.00 H new ATOM 0 HA MET A 47 116.151 9.487 -3.428 1.00 0.00 H new ATOM 0 HB2 MET A 47 114.135 10.725 -4.765 1.00 0.00 H new ATOM 0 HB3 MET A 47 113.581 11.095 -3.145 1.00 0.00 H new ATOM 0 HG2 MET A 47 116.490 11.560 -3.481 1.00 0.00 H new ATOM 0 HG3 MET A 47 115.525 12.531 -4.576 1.00 0.00 H new ATOM 0 HE1 MET A 47 113.387 14.761 -2.687 1.00 0.00 H new ATOM 0 HE2 MET A 47 113.562 13.652 -4.068 1.00 0.00 H new ATOM 0 HE3 MET A 47 112.680 13.130 -2.613 1.00 0.00 H new ATOM 764 N MET A 48 114.161 8.468 -1.223 1.00 0.00 N ATOM 765 CA MET A 48 113.971 8.302 0.254 1.00 0.00 C ATOM 766 C MET A 48 113.774 9.661 0.939 1.00 0.00 C ATOM 767 O MET A 48 114.155 9.850 2.078 1.00 0.00 O ATOM 768 CB MET A 48 115.257 7.634 0.742 1.00 0.00 C ATOM 769 CG MET A 48 115.307 6.191 0.235 1.00 0.00 C ATOM 770 SD MET A 48 114.033 5.211 1.067 1.00 0.00 S ATOM 771 CE MET A 48 113.623 4.136 -0.330 1.00 0.00 C ATOM 0 H MET A 48 113.660 7.791 -1.798 1.00 0.00 H new ATOM 0 HA MET A 48 113.085 7.711 0.486 1.00 0.00 H new ATOM 0 HB2 MET A 48 116.125 8.187 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 48 115.297 7.650 1.831 1.00 0.00 H new ATOM 0 HG2 MET A 48 115.151 6.168 -0.844 1.00 0.00 H new ATOM 0 HG3 MET A 48 116.291 5.762 0.424 1.00 0.00 H new ATOM 0 HE1 MET A 48 113.144 3.228 0.038 1.00 0.00 H new ATOM 0 HE2 MET A 48 112.943 4.658 -1.003 1.00 0.00 H new ATOM 0 HE3 MET A 48 114.535 3.873 -0.867 1.00 0.00 H new ATOM 781 N GLY A 49 113.189 10.607 0.253 1.00 0.00 N ATOM 782 CA GLY A 49 112.975 11.951 0.864 1.00 0.00 C ATOM 783 C GLY A 49 111.494 12.339 0.794 1.00 0.00 C ATOM 784 O GLY A 49 111.097 13.376 1.292 1.00 0.00 O ATOM 0 H GLY A 49 112.850 10.507 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.307 11.943 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.578 12.695 0.343 1.00 0.00 H new ATOM 788 N SER A 50 110.670 11.526 0.183 1.00 0.00 N ATOM 789 CA SER A 50 109.221 11.867 0.090 1.00 0.00 C ATOM 790 C SER A 50 108.356 10.659 0.460 1.00 0.00 C ATOM 791 O SER A 50 108.133 9.774 -0.343 1.00 0.00 O ATOM 792 CB SER A 50 109.000 12.257 -1.369 1.00 0.00 C ATOM 793 OG SER A 50 109.582 11.273 -2.214 1.00 0.00 O ATOM 0 H SER A 50 110.938 10.644 -0.254 1.00 0.00 H new ATOM 0 HA SER A 50 108.946 12.668 0.776 1.00 0.00 H new ATOM 0 HB2 SER A 50 107.933 12.345 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 50 109.445 13.232 -1.568 1.00 0.00 H new ATOM 0 HG SER A 50 109.280 10.383 -1.936 1.00 0.00 H new ATOM 799 N ALA A 51 107.861 10.619 1.671 1.00 0.00 N ATOM 800 CA ALA A 51 107.002 9.472 2.091 1.00 0.00 C ATOM 801 C ALA A 51 105.769 9.389 1.188 1.00 0.00 C ATOM 802 O ALA A 51 105.214 8.329 0.972 1.00 0.00 O ATOM 803 CB ALA A 51 106.596 9.783 3.531 1.00 0.00 C ATOM 0 H ALA A 51 108.015 11.330 2.386 1.00 0.00 H new ATOM 0 HA ALA A 51 107.519 8.515 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 51 105.961 8.983 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 51 107.489 9.863 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 51 106.048 10.725 3.559 1.00 0.00 H new ATOM 809 N GLN A 52 105.344 10.504 0.650 1.00 0.00 N ATOM 810 CA GLN A 52 104.154 10.505 -0.254 1.00 0.00 C ATOM 811 C GLN A 52 104.332 9.458 -1.357 1.00 0.00 C ATOM 812 O GLN A 52 103.373 8.906 -1.866 1.00 0.00 O ATOM 813 CB GLN A 52 104.101 11.919 -0.826 1.00 0.00 C ATOM 814 CG GLN A 52 102.709 12.184 -1.407 1.00 0.00 C ATOM 815 CD GLN A 52 101.725 12.470 -0.268 1.00 0.00 C ATOM 816 OE1 GLN A 52 101.997 12.168 0.878 1.00 0.00 O ATOM 817 NE2 GLN A 52 100.582 13.042 -0.537 1.00 0.00 N ATOM 0 H GLN A 52 105.772 11.418 0.799 1.00 0.00 H new ATOM 0 HA GLN A 52 103.229 10.250 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 52 104.326 12.647 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 52 104.859 12.038 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 52 102.745 13.031 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 52 102.374 11.322 -1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 52 100.352 13.296 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 52 99.919 13.235 0.214 1.00 0.00 H new ATOM 826 N VAL A 53 105.554 9.162 -1.711 1.00 0.00 N ATOM 827 CA VAL A 53 105.801 8.134 -2.763 1.00 0.00 C ATOM 828 C VAL A 53 105.873 6.748 -2.116 1.00 0.00 C ATOM 829 O VAL A 53 105.428 5.765 -2.676 1.00 0.00 O ATOM 830 CB VAL A 53 107.151 8.501 -3.388 1.00 0.00 C ATOM 831 CG1 VAL A 53 107.390 7.639 -4.629 1.00 0.00 C ATOM 832 CG2 VAL A 53 107.152 9.977 -3.791 1.00 0.00 C ATOM 0 H VAL A 53 106.393 9.588 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 53 105.009 8.109 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 53 107.942 8.324 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 53 108.350 7.900 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 53 107.395 6.587 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 53 106.595 7.816 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.114 10.232 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.359 10.157 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 53 106.984 10.595 -2.909 1.00 0.00 H new ATOM 842 N ALA A 54 106.434 6.666 -0.937 1.00 0.00 N ATOM 843 CA ALA A 54 106.542 5.347 -0.245 1.00 0.00 C ATOM 844 C ALA A 54 105.151 4.759 0.004 1.00 0.00 C ATOM 845 O ALA A 54 104.936 3.571 -0.136 1.00 0.00 O ATOM 846 CB ALA A 54 107.234 5.650 1.086 1.00 0.00 C ATOM 0 H ALA A 54 106.822 7.457 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 54 107.094 4.619 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.350 4.727 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.215 6.084 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 54 106.630 6.355 1.658 1.00 0.00 H new ATOM 852 N GLU A 55 104.208 5.580 0.380 1.00 0.00 N ATOM 853 CA GLU A 55 102.833 5.067 0.650 1.00 0.00 C ATOM 854 C GLU A 55 102.097 4.781 -0.662 1.00 0.00 C ATOM 855 O GLU A 55 101.382 3.806 -0.779 1.00 0.00 O ATOM 856 CB GLU A 55 102.132 6.186 1.427 1.00 0.00 C ATOM 857 CG GLU A 55 101.939 5.760 2.887 1.00 0.00 C ATOM 858 CD GLU A 55 100.470 5.934 3.281 1.00 0.00 C ATOM 859 OE1 GLU A 55 100.032 7.069 3.368 1.00 0.00 O ATOM 860 OE2 GLU A 55 99.810 4.930 3.487 1.00 0.00 O ATOM 0 H GLU A 55 104.330 6.584 0.512 1.00 0.00 H new ATOM 0 HA GLU A 55 102.851 4.132 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 55 102.724 7.100 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 55 101.167 6.408 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 55 102.240 4.720 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 55 102.575 6.359 3.539 1.00 0.00 H new ATOM 867 N LEU A 56 102.258 5.627 -1.644 1.00 0.00 N ATOM 868 CA LEU A 56 101.556 5.411 -2.948 1.00 0.00 C ATOM 869 C LEU A 56 101.750 3.977 -3.462 1.00 0.00 C ATOM 870 O LEU A 56 100.806 3.221 -3.593 1.00 0.00 O ATOM 871 CB LEU A 56 102.208 6.402 -3.913 1.00 0.00 C ATOM 872 CG LEU A 56 101.190 6.890 -4.953 1.00 0.00 C ATOM 873 CD1 LEU A 56 101.940 7.392 -6.184 1.00 0.00 C ATOM 874 CD2 LEU A 56 100.260 5.746 -5.374 1.00 0.00 C ATOM 0 H LEU A 56 102.845 6.460 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 56 100.481 5.560 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 56 102.605 7.252 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 56 103.051 5.928 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 56 100.594 7.690 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 56 101.225 7.741 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 56 102.597 8.214 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 56 102.534 6.580 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 56 99.545 6.111 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 56 100.850 4.939 -5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 56 99.723 5.374 -4.502 1.00 0.00 H new ATOM 886 N LEU A 57 102.961 3.605 -3.778 1.00 0.00 N ATOM 887 CA LEU A 57 103.203 2.230 -4.309 1.00 0.00 C ATOM 888 C LEU A 57 102.938 1.170 -3.238 1.00 0.00 C ATOM 889 O LEU A 57 102.419 0.109 -3.526 1.00 0.00 O ATOM 890 CB LEU A 57 104.673 2.216 -4.730 1.00 0.00 C ATOM 891 CG LEU A 57 104.827 2.961 -6.057 1.00 0.00 C ATOM 892 CD1 LEU A 57 106.114 3.788 -6.041 1.00 0.00 C ATOM 893 CD2 LEU A 57 104.886 1.950 -7.203 1.00 0.00 C ATOM 0 H LEU A 57 103.792 4.191 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 57 102.537 1.997 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.287 2.687 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 57 105.024 1.189 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 57 103.975 3.626 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 57 106.219 4.317 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 57 106.072 4.510 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 57 106.969 3.128 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 57 104.996 2.479 -8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 57 105.737 1.285 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 57 103.967 1.364 -7.219 1.00 0.00 H new ATOM 905 N LEU A 58 103.293 1.435 -2.006 1.00 0.00 N ATOM 906 CA LEU A 58 103.062 0.423 -0.929 1.00 0.00 C ATOM 907 C LEU A 58 101.599 -0.032 -0.924 1.00 0.00 C ATOM 908 O LEU A 58 101.297 -1.172 -1.217 1.00 0.00 O ATOM 909 CB LEU A 58 103.406 1.131 0.383 1.00 0.00 C ATOM 910 CG LEU A 58 103.179 0.168 1.557 1.00 0.00 C ATOM 911 CD1 LEU A 58 104.528 -0.326 2.086 1.00 0.00 C ATOM 912 CD2 LEU A 58 102.415 0.887 2.676 1.00 0.00 C ATOM 0 H LEU A 58 103.731 2.304 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 58 103.671 -0.468 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 58 104.443 1.465 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.787 2.020 0.503 1.00 0.00 H new ATOM 0 HG LEU A 58 102.593 -0.685 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.364 -1.009 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.063 -0.845 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 58 105.119 0.524 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 58 102.256 0.200 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.994 1.744 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.451 1.228 2.298 1.00 0.00 H new ATOM 924 N LEU A 59 100.689 0.848 -0.591 1.00 0.00 N ATOM 925 CA LEU A 59 99.247 0.455 -0.566 1.00 0.00 C ATOM 926 C LEU A 59 98.857 -0.193 -1.899 1.00 0.00 C ATOM 927 O LEU A 59 97.960 -1.011 -1.962 1.00 0.00 O ATOM 928 CB LEU A 59 98.472 1.758 -0.345 1.00 0.00 C ATOM 929 CG LEU A 59 98.742 2.726 -1.498 1.00 0.00 C ATOM 930 CD1 LEU A 59 97.687 2.531 -2.590 1.00 0.00 C ATOM 931 CD2 LEU A 59 98.679 4.164 -0.978 1.00 0.00 C ATOM 0 H LEU A 59 100.880 1.817 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 59 99.032 -0.273 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 59 97.404 1.549 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 59 98.769 2.212 0.600 1.00 0.00 H new ATOM 0 HG LEU A 59 99.731 2.530 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 59 97.881 3.222 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 59 97.731 1.507 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 59 96.697 2.726 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 59 98.871 4.856 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 59 97.690 4.358 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 59 99.431 4.303 -0.202 1.00 0.00 H new ATOM 943 N HIS A 60 99.529 0.163 -2.962 1.00 0.00 N ATOM 944 CA HIS A 60 99.202 -0.438 -4.288 1.00 0.00 C ATOM 945 C HIS A 60 99.781 -1.853 -4.381 1.00 0.00 C ATOM 946 O HIS A 60 99.054 -2.828 -4.405 1.00 0.00 O ATOM 947 CB HIS A 60 99.855 0.485 -5.316 1.00 0.00 C ATOM 948 CG HIS A 60 98.857 1.520 -5.758 1.00 0.00 C ATOM 949 ND1 HIS A 60 99.055 2.874 -5.545 1.00 0.00 N ATOM 950 CD2 HIS A 60 97.647 1.413 -6.397 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.989 3.524 -6.047 1.00 0.00 C ATOM 952 NE2 HIS A 60 97.100 2.680 -6.578 1.00 0.00 N ATOM 0 H HIS A 60 100.289 0.843 -2.969 1.00 0.00 H new ATOM 0 HA HIS A 60 98.128 -0.525 -4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 60 100.731 0.969 -4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 60 100.201 -0.093 -6.173 1.00 0.00 H new ATOM 0 HD1 HIS A 60 99.862 3.301 -5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 60 97.189 0.487 -6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 60 97.867 4.597 -6.023 1.00 0.00 H new ATOM 960 N GLY A 61 101.082 -1.975 -4.431 1.00 0.00 N ATOM 961 CA GLY A 61 101.702 -3.320 -4.519 1.00 0.00 C ATOM 962 C GLY A 61 103.200 -3.190 -4.807 1.00 0.00 C ATOM 963 O GLY A 61 103.765 -3.967 -5.552 1.00 0.00 O ATOM 0 H GLY A 61 101.740 -1.195 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.549 -3.862 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 61 101.221 -3.900 -5.307 1.00 0.00 H new ATOM 967 N ALA A 62 103.850 -2.219 -4.222 1.00 0.00 N ATOM 968 CA ALA A 62 105.315 -2.046 -4.466 1.00 0.00 C ATOM 969 C ALA A 62 106.081 -3.296 -4.026 1.00 0.00 C ATOM 970 O ALA A 62 105.503 -4.339 -3.787 1.00 0.00 O ATOM 971 CB ALA A 62 105.728 -0.844 -3.613 1.00 0.00 C ATOM 0 H ALA A 62 103.432 -1.539 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 62 105.535 -1.892 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 62 106.794 -0.656 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 62 105.164 0.035 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.520 -1.054 -2.564 1.00 0.00 H new ATOM 977 N GLU A 63 107.378 -3.196 -3.914 1.00 0.00 N ATOM 978 CA GLU A 63 108.188 -4.373 -3.486 1.00 0.00 C ATOM 979 C GLU A 63 108.978 -4.034 -2.216 1.00 0.00 C ATOM 980 O GLU A 63 110.172 -3.816 -2.268 1.00 0.00 O ATOM 981 CB GLU A 63 109.138 -4.650 -4.652 1.00 0.00 C ATOM 982 CG GLU A 63 108.431 -5.517 -5.695 1.00 0.00 C ATOM 983 CD GLU A 63 109.032 -5.246 -7.075 1.00 0.00 C ATOM 984 OE1 GLU A 63 108.759 -4.190 -7.622 1.00 0.00 O ATOM 985 OE2 GLU A 63 109.757 -6.098 -7.561 1.00 0.00 O ATOM 0 H GLU A 63 107.913 -2.348 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 63 107.568 -5.239 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.460 -3.711 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.034 -5.155 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 63 108.539 -6.571 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 63 107.363 -5.298 -5.702 1.00 0.00 H new ATOM 992 N PRO A 64 108.279 -4.000 -1.111 1.00 0.00 N ATOM 993 CA PRO A 64 108.923 -3.684 0.183 1.00 0.00 C ATOM 994 C PRO A 64 109.680 -4.904 0.719 1.00 0.00 C ATOM 995 O PRO A 64 110.572 -4.781 1.535 1.00 0.00 O ATOM 996 CB PRO A 64 107.748 -3.331 1.090 1.00 0.00 C ATOM 997 CG PRO A 64 106.564 -4.036 0.502 1.00 0.00 C ATOM 998 CD PRO A 64 106.839 -4.251 -0.966 1.00 0.00 C ATOM 0 HA PRO A 64 109.657 -2.881 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 64 107.931 -3.657 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 64 107.587 -2.253 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.399 -4.990 1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 64 105.660 -3.443 0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.580 -5.264 -1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 64 106.253 -3.570 -1.583 1.00 0.00 H new ATOM 1006 N ASN A 65 109.329 -6.080 0.267 1.00 0.00 N ATOM 1007 CA ASN A 65 110.027 -7.305 0.752 1.00 0.00 C ATOM 1008 C ASN A 65 111.149 -7.700 -0.214 1.00 0.00 C ATOM 1009 O ASN A 65 112.262 -7.969 0.193 1.00 0.00 O ATOM 1010 CB ASN A 65 108.945 -8.385 0.793 1.00 0.00 C ATOM 1011 CG ASN A 65 107.881 -8.003 1.826 1.00 0.00 C ATOM 1012 OD1 ASN A 65 107.745 -6.847 2.175 1.00 0.00 O ATOM 1013 ND2 ASN A 65 107.118 -8.932 2.334 1.00 0.00 N ATOM 0 H ASN A 65 108.590 -6.244 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 65 110.492 -7.156 1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 65 108.489 -8.495 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 65 109.387 -9.348 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 65 106.408 -8.688 3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 65 107.232 -9.902 2.041 1.00 0.00 H new ATOM 1020 N CYS A 66 110.866 -7.735 -1.490 1.00 0.00 N ATOM 1021 CA CYS A 66 111.922 -8.112 -2.479 1.00 0.00 C ATOM 1022 C CYS A 66 113.111 -7.153 -2.375 1.00 0.00 C ATOM 1023 O CYS A 66 113.064 -6.170 -1.661 1.00 0.00 O ATOM 1024 CB CYS A 66 111.257 -7.998 -3.846 1.00 0.00 C ATOM 1025 SG CYS A 66 111.264 -9.612 -4.669 1.00 0.00 S ATOM 0 H CYS A 66 109.953 -7.520 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 66 112.307 -9.116 -2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 66 110.233 -7.641 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 66 111.785 -7.266 -4.457 1.00 0.00 H new ATOM 0 HG CYS A 66 110.694 -9.508 -5.833 1.00 0.00 H new ATOM 1031 N ALA A 67 114.178 -7.432 -3.076 1.00 0.00 N ATOM 1032 CA ALA A 67 115.370 -6.536 -3.009 1.00 0.00 C ATOM 1033 C ALA A 67 116.380 -6.906 -4.097 1.00 0.00 C ATOM 1034 O ALA A 67 116.143 -7.780 -4.907 1.00 0.00 O ATOM 1035 CB ALA A 67 115.968 -6.780 -1.624 1.00 0.00 C ATOM 0 H ALA A 67 114.276 -8.240 -3.691 1.00 0.00 H new ATOM 0 HA ALA A 67 115.106 -5.490 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 67 116.852 -6.156 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.232 -6.529 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.247 -7.829 -1.528 1.00 0.00 H new ATOM 1041 N ASP A 68 117.508 -6.246 -4.117 1.00 0.00 N ATOM 1042 CA ASP A 68 118.539 -6.556 -5.149 1.00 0.00 C ATOM 1043 C ASP A 68 119.289 -7.844 -4.771 1.00 0.00 C ATOM 1044 O ASP A 68 119.856 -7.934 -3.700 1.00 0.00 O ATOM 1045 CB ASP A 68 119.483 -5.350 -5.134 1.00 0.00 C ATOM 1046 CG ASP A 68 120.731 -5.657 -5.968 1.00 0.00 C ATOM 1047 OD1 ASP A 68 120.592 -5.825 -7.169 1.00 0.00 O ATOM 1048 OD2 ASP A 68 121.802 -5.722 -5.390 1.00 0.00 O ATOM 0 H ASP A 68 117.759 -5.505 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 68 118.109 -6.720 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 68 118.974 -4.473 -5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 68 119.769 -5.113 -4.109 1.00 0.00 H new ATOM 1053 N PRO A 69 119.267 -8.803 -5.665 1.00 0.00 N ATOM 1054 CA PRO A 69 119.955 -10.093 -5.409 1.00 0.00 C ATOM 1055 C PRO A 69 121.475 -9.944 -5.559 1.00 0.00 C ATOM 1056 O PRO A 69 122.231 -10.807 -5.160 1.00 0.00 O ATOM 1057 CB PRO A 69 119.400 -11.015 -6.491 1.00 0.00 C ATOM 1058 CG PRO A 69 118.969 -10.106 -7.598 1.00 0.00 C ATOM 1059 CD PRO A 69 118.606 -8.782 -6.978 1.00 0.00 C ATOM 0 HA PRO A 69 119.787 -10.466 -4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 69 120.157 -11.721 -6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 69 118.562 -11.603 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 69 119.770 -9.982 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 69 118.116 -10.527 -8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 69 118.956 -7.948 -7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.526 -8.672 -6.878 1.00 0.00 H new ATOM 1067 N ALA A 70 121.927 -8.863 -6.139 1.00 0.00 N ATOM 1068 CA ALA A 70 123.397 -8.671 -6.321 1.00 0.00 C ATOM 1069 C ALA A 70 124.061 -8.261 -5.002 1.00 0.00 C ATOM 1070 O ALA A 70 125.255 -8.417 -4.830 1.00 0.00 O ATOM 1071 CB ALA A 70 123.526 -7.553 -7.354 1.00 0.00 C ATOM 0 H ALA A 70 121.343 -8.106 -6.494 1.00 0.00 H new ATOM 0 HA ALA A 70 123.889 -9.589 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.581 -7.352 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 70 123.043 -7.858 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 70 123.047 -6.650 -6.975 1.00 0.00 H new ATOM 1077 N THR A 71 123.308 -7.738 -4.071 1.00 0.00 N ATOM 1078 CA THR A 71 123.918 -7.323 -2.772 1.00 0.00 C ATOM 1079 C THR A 71 122.874 -7.330 -1.652 1.00 0.00 C ATOM 1080 O THR A 71 122.995 -6.611 -0.682 1.00 0.00 O ATOM 1081 CB THR A 71 124.450 -5.902 -3.000 1.00 0.00 C ATOM 1082 OG1 THR A 71 123.885 -5.357 -4.185 1.00 0.00 O ATOM 1083 CG2 THR A 71 125.974 -5.937 -3.132 1.00 0.00 C ATOM 0 H THR A 71 122.303 -7.581 -4.152 1.00 0.00 H new ATOM 0 HA THR A 71 124.709 -8.008 -2.467 1.00 0.00 H new ATOM 0 HB THR A 71 124.173 -5.279 -2.150 1.00 0.00 H new ATOM 0 HG1 THR A 71 122.907 -5.394 -4.128 1.00 0.00 H new ATOM 0 HG21 THR A 71 126.348 -4.926 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 71 126.409 -6.343 -2.219 1.00 0.00 H new ATOM 0 HG23 THR A 71 126.252 -6.566 -3.977 1.00 0.00 H new ATOM 1091 N LEU A 72 121.857 -8.145 -1.771 1.00 0.00 N ATOM 1092 CA LEU A 72 120.811 -8.212 -0.700 1.00 0.00 C ATOM 1093 C LEU A 72 120.424 -6.811 -0.206 1.00 0.00 C ATOM 1094 O LEU A 72 120.324 -6.573 0.983 1.00 0.00 O ATOM 1095 CB LEU A 72 121.474 -9.002 0.430 1.00 0.00 C ATOM 1096 CG LEU A 72 121.784 -10.421 -0.038 1.00 0.00 C ATOM 1097 CD1 LEU A 72 122.436 -11.204 1.104 1.00 0.00 C ATOM 1098 CD2 LEU A 72 120.486 -11.108 -0.449 1.00 0.00 C ATOM 0 H LEU A 72 121.704 -8.768 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 72 119.892 -8.673 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 72 122.392 -8.505 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 72 120.816 -9.032 1.299 1.00 0.00 H new ATOM 0 HG LEU A 72 122.466 -10.386 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 72 122.658 -12.218 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 72 123.361 -10.710 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 72 121.755 -11.243 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 72 120.702 -12.122 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 72 119.808 -11.144 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 72 120.020 -10.549 -1.260 1.00 0.00 H new ATOM 1110 N THR A 73 120.215 -5.885 -1.101 1.00 0.00 N ATOM 1111 CA THR A 73 119.846 -4.503 -0.668 1.00 0.00 C ATOM 1112 C THR A 73 118.322 -4.337 -0.638 1.00 0.00 C ATOM 1113 O THR A 73 117.683 -4.188 -1.661 1.00 0.00 O ATOM 1114 CB THR A 73 120.474 -3.566 -1.711 1.00 0.00 C ATOM 1115 OG1 THR A 73 121.208 -4.324 -2.664 1.00 0.00 O ATOM 1116 CG2 THR A 73 121.416 -2.582 -1.016 1.00 0.00 C ATOM 0 H THR A 73 120.283 -6.022 -2.109 1.00 0.00 H new ATOM 0 HA THR A 73 120.204 -4.284 0.338 1.00 0.00 H new ATOM 0 HB THR A 73 119.680 -3.018 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 73 121.604 -3.721 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 73 121.860 -1.918 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 73 120.855 -1.992 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.204 -3.133 -0.504 1.00 0.00 H new ATOM 1124 N ARG A 74 117.737 -4.357 0.534 1.00 0.00 N ATOM 1125 CA ARG A 74 116.255 -4.196 0.642 1.00 0.00 C ATOM 1126 C ARG A 74 115.887 -2.706 0.674 1.00 0.00 C ATOM 1127 O ARG A 74 116.754 -1.857 0.625 1.00 0.00 O ATOM 1128 CB ARG A 74 115.880 -4.874 1.961 1.00 0.00 C ATOM 1129 CG ARG A 74 114.840 -5.970 1.702 1.00 0.00 C ATOM 1130 CD ARG A 74 115.526 -7.338 1.701 1.00 0.00 C ATOM 1131 NE ARG A 74 114.808 -8.134 0.665 1.00 0.00 N ATOM 1132 CZ ARG A 74 115.167 -9.366 0.423 1.00 0.00 C ATOM 1133 NH1 ARG A 74 116.432 -9.687 0.396 1.00 0.00 N ATOM 1134 NH2 ARG A 74 114.259 -10.279 0.209 1.00 0.00 N ATOM 0 H ARG A 74 118.224 -4.478 1.422 1.00 0.00 H new ATOM 0 HA ARG A 74 115.726 -4.634 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 74 116.768 -5.304 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 74 115.481 -4.138 2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 74 114.067 -5.940 2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 74 114.347 -5.799 0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 74 116.586 -7.247 1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 74 115.459 -7.813 2.680 1.00 0.00 H new ATOM 0 HE ARG A 74 114.036 -7.716 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 74 117.143 -8.975 0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 74 116.710 -10.650 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 74 113.270 -10.030 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 74 114.538 -11.242 0.020 1.00 0.00 H new ATOM 1148 N PRO A 75 114.607 -2.431 0.755 1.00 0.00 N ATOM 1149 CA PRO A 75 114.136 -1.027 0.792 1.00 0.00 C ATOM 1150 C PRO A 75 114.318 -0.434 2.193 1.00 0.00 C ATOM 1151 O PRO A 75 114.312 0.768 2.371 1.00 0.00 O ATOM 1152 CB PRO A 75 112.658 -1.135 0.430 1.00 0.00 C ATOM 1153 CG PRO A 75 112.253 -2.525 0.815 1.00 0.00 C ATOM 1154 CD PRO A 75 113.493 -3.386 0.818 1.00 0.00 C ATOM 0 HA PRO A 75 114.687 -0.373 0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.067 -0.392 0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.501 -0.961 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 75 111.785 -2.527 1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 75 111.518 -2.917 0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.547 -4.000 1.717 1.00 0.00 H new ATOM 0 HD3 PRO A 75 113.505 -4.066 -0.034 1.00 0.00 H new ATOM 1162 N VAL A 76 114.480 -1.266 3.189 1.00 0.00 N ATOM 1163 CA VAL A 76 114.662 -0.742 4.576 1.00 0.00 C ATOM 1164 C VAL A 76 116.007 -0.017 4.693 1.00 0.00 C ATOM 1165 O VAL A 76 116.129 0.976 5.384 1.00 0.00 O ATOM 1166 CB VAL A 76 114.635 -1.980 5.478 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.833 -1.561 6.936 1.00 0.00 C ATOM 1168 CG2 VAL A 76 113.283 -2.684 5.338 1.00 0.00 C ATOM 0 H VAL A 76 114.494 -2.282 3.103 1.00 0.00 H new ATOM 0 HA VAL A 76 113.889 -0.024 4.852 1.00 0.00 H new ATOM 0 HB VAL A 76 115.436 -2.657 5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.813 -2.444 7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.794 -1.058 7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 76 114.033 -0.882 7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 76 113.263 -3.565 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 76 112.485 -2.002 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 76 113.136 -2.987 4.301 1.00 0.00 H new ATOM 1178 N HIS A 77 117.017 -0.507 4.025 1.00 0.00 N ATOM 1179 CA HIS A 77 118.356 0.150 4.099 1.00 0.00 C ATOM 1180 C HIS A 77 118.319 1.516 3.409 1.00 0.00 C ATOM 1181 O HIS A 77 118.909 2.472 3.876 1.00 0.00 O ATOM 1182 CB HIS A 77 119.302 -0.796 3.361 1.00 0.00 C ATOM 1183 CG HIS A 77 119.531 -2.028 4.194 1.00 0.00 C ATOM 1184 ND1 HIS A 77 120.552 -2.385 5.038 1.00 0.00 N flip ATOM 1185 CD2 HIS A 77 118.633 -3.083 4.218 1.00 0.00 C flip ATOM 1186 CE1 HIS A 77 120.296 -3.642 5.578 1.00 0.00 C flip ATOM 1187 NE2 HIS A 77 119.128 -4.017 5.051 1.00 0.00 N flip ATOM 0 H HIS A 77 116.973 -1.335 3.430 1.00 0.00 H new ATOM 0 HA HIS A 77 118.672 0.324 5.128 1.00 0.00 H new ATOM 0 HB2 HIS A 77 118.878 -1.071 2.395 1.00 0.00 H new ATOM 0 HB3 HIS A 77 120.250 -0.297 3.162 1.00 0.00 H new ATOM 0 HD1 HIS A 77 121.374 -1.816 5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 77 117.705 -3.145 3.669 1.00 0.00 H new ATOM 0 HE1 HIS A 77 120.910 -4.195 6.274 1.00 0.00 H new ATOM 1195 N ASP A 78 117.634 1.615 2.301 1.00 0.00 N ATOM 1196 CA ASP A 78 117.565 2.922 1.581 1.00 0.00 C ATOM 1197 C ASP A 78 116.996 4.002 2.506 1.00 0.00 C ATOM 1198 O ASP A 78 117.608 5.029 2.726 1.00 0.00 O ATOM 1199 CB ASP A 78 116.628 2.679 0.396 1.00 0.00 C ATOM 1200 CG ASP A 78 117.238 3.279 -0.874 1.00 0.00 C ATOM 1201 OD1 ASP A 78 117.574 4.452 -0.849 1.00 0.00 O ATOM 1202 OD2 ASP A 78 117.357 2.556 -1.849 1.00 0.00 O ATOM 0 H ASP A 78 117.120 0.850 1.864 1.00 0.00 H new ATOM 0 HA ASP A 78 118.547 3.266 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 78 116.464 1.610 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 78 115.654 3.129 0.591 1.00 0.00 H new ATOM 1207 N ALA A 79 115.834 3.775 3.056 1.00 0.00 N ATOM 1208 CA ALA A 79 115.237 4.789 3.972 1.00 0.00 C ATOM 1209 C ALA A 79 116.129 4.975 5.204 1.00 0.00 C ATOM 1210 O ALA A 79 116.031 5.960 5.909 1.00 0.00 O ATOM 1211 CB ALA A 79 113.879 4.213 4.372 1.00 0.00 C ATOM 0 H ALA A 79 115.274 2.935 2.912 1.00 0.00 H new ATOM 0 HA ALA A 79 115.139 5.767 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 79 113.376 4.904 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 79 113.268 4.068 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 79 114.023 3.255 4.872 1.00 0.00 H new ATOM 1217 N ALA A 80 116.999 4.033 5.466 1.00 0.00 N ATOM 1218 CA ALA A 80 117.898 4.150 6.651 1.00 0.00 C ATOM 1219 C ALA A 80 119.108 5.032 6.324 1.00 0.00 C ATOM 1220 O ALA A 80 119.492 5.880 7.105 1.00 0.00 O ATOM 1221 CB ALA A 80 118.342 2.718 6.952 1.00 0.00 C ATOM 0 H ALA A 80 117.125 3.188 4.909 1.00 0.00 H new ATOM 0 HA ALA A 80 117.397 4.611 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 80 119.009 2.717 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 80 117.468 2.104 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.866 2.310 6.088 1.00 0.00 H new ATOM 1227 N ARG A 81 119.710 4.844 5.179 1.00 0.00 N ATOM 1228 CA ARG A 81 120.893 5.681 4.814 1.00 0.00 C ATOM 1229 C ARG A 81 120.475 7.149 4.665 1.00 0.00 C ATOM 1230 O ARG A 81 121.291 8.047 4.741 1.00 0.00 O ATOM 1231 CB ARG A 81 121.398 5.114 3.482 1.00 0.00 C ATOM 1232 CG ARG A 81 120.322 5.270 2.401 1.00 0.00 C ATOM 1233 CD ARG A 81 120.955 5.822 1.120 1.00 0.00 C ATOM 1234 NE ARG A 81 121.432 7.186 1.485 1.00 0.00 N ATOM 1235 CZ ARG A 81 121.520 8.113 0.571 1.00 0.00 C ATOM 1236 NH1 ARG A 81 120.527 8.314 -0.252 1.00 0.00 N ATOM 1237 NH2 ARG A 81 122.600 8.840 0.480 1.00 0.00 N ATOM 0 H ARG A 81 119.436 4.151 4.483 1.00 0.00 H new ATOM 0 HA ARG A 81 121.670 5.652 5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 81 122.307 5.633 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 81 121.656 4.062 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 81 119.852 4.307 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 81 119.537 5.942 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 81 121.779 5.192 0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 81 120.231 5.861 0.307 1.00 0.00 H new ATOM 0 HE ARG A 81 121.690 7.395 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 81 119.682 7.746 -0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 81 120.596 9.039 -0.967 1.00 0.00 H new ATOM 0 HH21 ARG A 81 123.376 8.684 1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 81 122.668 9.565 -0.235 1.00 0.00 H new ATOM 1251 N GLU A 82 119.208 7.398 4.455 1.00 0.00 N ATOM 1252 CA GLU A 82 118.736 8.805 4.305 1.00 0.00 C ATOM 1253 C GLU A 82 118.188 9.318 5.637 1.00 0.00 C ATOM 1254 O GLU A 82 118.525 10.398 6.082 1.00 0.00 O ATOM 1255 CB GLU A 82 117.625 8.741 3.257 1.00 0.00 C ATOM 1256 CG GLU A 82 118.247 8.676 1.859 1.00 0.00 C ATOM 1257 CD GLU A 82 117.827 9.902 1.042 1.00 0.00 C ATOM 1258 OE1 GLU A 82 117.534 10.922 1.643 1.00 0.00 O ATOM 1259 OE2 GLU A 82 117.809 9.798 -0.173 1.00 0.00 O ATOM 0 H GLU A 82 118.481 6.687 4.381 1.00 0.00 H new ATOM 0 HA GLU A 82 119.537 9.482 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 82 116.998 7.866 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 82 116.981 9.616 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 82 119.333 8.635 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.929 7.765 1.352 1.00 0.00 H new ATOM 1266 N GLY A 83 117.348 8.549 6.275 1.00 0.00 N ATOM 1267 CA GLY A 83 116.779 8.987 7.581 1.00 0.00 C ATOM 1268 C GLY A 83 115.278 9.252 7.435 1.00 0.00 C ATOM 1269 O GLY A 83 114.664 9.856 8.292 1.00 0.00 O ATOM 0 H GLY A 83 117.031 7.636 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 83 116.950 8.220 8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 83 117.285 9.890 7.923 1.00 0.00 H new ATOM 1273 N PHE A 84 114.678 8.804 6.362 1.00 0.00 N ATOM 1274 CA PHE A 84 113.215 9.035 6.180 1.00 0.00 C ATOM 1275 C PHE A 84 112.422 8.034 7.027 1.00 0.00 C ATOM 1276 O PHE A 84 111.939 7.033 6.536 1.00 0.00 O ATOM 1277 CB PHE A 84 112.956 8.812 4.686 1.00 0.00 C ATOM 1278 CG PHE A 84 112.225 10.023 4.107 1.00 0.00 C ATOM 1279 CD1 PHE A 84 111.489 11.146 4.547 1.00 0.00 C ATOM 1280 CD2 PHE A 84 110.878 10.040 4.594 1.00 0.00 C ATOM 1281 CE1 PHE A 84 110.569 10.231 4.040 1.00 0.00 C ATOM 1282 CE2 PHE A 84 111.206 11.282 4.055 1.00 0.00 C ATOM 1283 CZ PHE A 84 111.714 10.301 3.186 1.00 0.00 C ATOM 0 H PHE A 84 115.136 8.291 5.608 1.00 0.00 H new ATOM 0 HA PHE A 84 112.908 10.032 6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 84 113.899 8.659 4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 84 112.360 7.911 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 84 111.583 12.122 5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 84 110.103 9.460 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 84 109.606 9.766 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 84 111.122 12.347 4.210 1.00 0.00 H new ATOM 0 HZ PHE A 84 112.410 9.912 2.458 1.00 0.00 H new ATOM 1293 N LEU A 85 112.292 8.300 8.300 1.00 0.00 N ATOM 1294 CA LEU A 85 111.537 7.367 9.191 1.00 0.00 C ATOM 1295 C LEU A 85 110.089 7.227 8.714 1.00 0.00 C ATOM 1296 O LEU A 85 109.428 6.246 8.993 1.00 0.00 O ATOM 1297 CB LEU A 85 111.583 8.011 10.580 1.00 0.00 C ATOM 1298 CG LEU A 85 112.197 7.032 11.583 1.00 0.00 C ATOM 1299 CD1 LEU A 85 112.360 7.722 12.938 1.00 0.00 C ATOM 1300 CD2 LEU A 85 111.278 5.816 11.739 1.00 0.00 C ATOM 0 H LEU A 85 112.676 9.124 8.763 1.00 0.00 H new ATOM 0 HA LEU A 85 111.968 6.366 9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 85 112.171 8.929 10.547 1.00 0.00 H new ATOM 0 HB3 LEU A 85 110.577 8.288 10.896 1.00 0.00 H new ATOM 0 HG LEU A 85 113.172 6.708 11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 85 112.797 7.024 13.652 1.00 0.00 H new ATOM 0 HD12 LEU A 85 113.014 8.587 12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 85 111.385 8.048 13.300 1.00 0.00 H new ATOM 0 HD21 LEU A 85 111.715 5.119 12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 85 110.302 6.141 12.100 1.00 0.00 H new ATOM 0 HD23 LEU A 85 111.162 5.322 10.774 1.00 0.00 H new ATOM 1312 N ASP A 86 109.590 8.198 7.998 1.00 0.00 N ATOM 1313 CA ASP A 86 108.183 8.114 7.506 1.00 0.00 C ATOM 1314 C ASP A 86 108.020 6.902 6.581 1.00 0.00 C ATOM 1315 O ASP A 86 107.146 6.080 6.772 1.00 0.00 O ATOM 1316 CB ASP A 86 107.947 9.418 6.741 1.00 0.00 C ATOM 1317 CG ASP A 86 106.446 9.622 6.525 1.00 0.00 C ATOM 1318 OD1 ASP A 86 105.752 8.634 6.347 1.00 0.00 O ATOM 1319 OD2 ASP A 86 106.015 10.764 6.543 1.00 0.00 O ATOM 0 H ASP A 86 110.094 9.044 7.732 1.00 0.00 H new ATOM 0 HA ASP A 86 107.467 7.990 8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 86 108.362 10.258 7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 86 108.462 9.386 5.781 1.00 0.00 H new ATOM 1324 N THR A 87 108.858 6.783 5.582 1.00 0.00 N ATOM 1325 CA THR A 87 108.752 5.619 4.649 1.00 0.00 C ATOM 1326 C THR A 87 108.892 4.308 5.431 1.00 0.00 C ATOM 1327 O THR A 87 108.264 3.317 5.111 1.00 0.00 O ATOM 1328 CB THR A 87 109.912 5.795 3.659 1.00 0.00 C ATOM 1329 OG1 THR A 87 109.676 6.948 2.861 1.00 0.00 O ATOM 1330 CG2 THR A 87 110.027 4.561 2.754 1.00 0.00 C ATOM 0 H THR A 87 109.610 7.440 5.372 1.00 0.00 H new ATOM 0 HA THR A 87 107.791 5.579 4.137 1.00 0.00 H new ATOM 0 HB THR A 87 110.842 5.914 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 87 109.982 7.746 3.341 1.00 0.00 H new ATOM 0 HG21 THR A 87 110.853 4.697 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 87 110.210 3.677 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 87 109.099 4.431 2.197 1.00 0.00 H new ATOM 1338 N LEU A 88 109.707 4.294 6.453 1.00 0.00 N ATOM 1339 CA LEU A 88 109.878 3.043 7.250 1.00 0.00 C ATOM 1340 C LEU A 88 108.525 2.586 7.793 1.00 0.00 C ATOM 1341 O LEU A 88 108.164 1.430 7.694 1.00 0.00 O ATOM 1342 CB LEU A 88 110.820 3.414 8.394 1.00 0.00 C ATOM 1343 CG LEU A 88 112.259 3.089 7.992 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.899 4.315 7.340 1.00 0.00 C ATOM 1345 CD2 LEU A 88 113.057 2.698 9.238 1.00 0.00 C ATOM 0 H LEU A 88 110.260 5.091 6.769 1.00 0.00 H new ATOM 0 HA LEU A 88 110.280 2.225 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 88 110.727 4.475 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.549 2.864 9.295 1.00 0.00 H new ATOM 0 HG LEU A 88 112.260 2.261 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.925 4.081 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.330 4.594 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 88 112.899 5.145 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 88 114.084 2.466 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 88 113.055 3.526 9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 88 112.602 1.823 9.702 1.00 0.00 H new ATOM 1357 N VAL A 89 107.769 3.490 8.355 1.00 0.00 N ATOM 1358 CA VAL A 89 106.429 3.113 8.890 1.00 0.00 C ATOM 1359 C VAL A 89 105.590 2.500 7.766 1.00 0.00 C ATOM 1360 O VAL A 89 104.975 1.467 7.930 1.00 0.00 O ATOM 1361 CB VAL A 89 105.808 4.426 9.376 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.356 4.187 9.796 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.598 4.951 10.576 1.00 0.00 C ATOM 0 H VAL A 89 108.021 4.472 8.467 1.00 0.00 H new ATOM 0 HA VAL A 89 106.486 2.378 9.693 1.00 0.00 H new ATOM 0 HB VAL A 89 105.837 5.157 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 89 103.918 5.124 10.141 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.788 3.813 8.944 1.00 0.00 H new ATOM 0 HG13 VAL A 89 104.326 3.454 10.602 1.00 0.00 H new ATOM 0 HG21 VAL A 89 106.156 5.885 10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 89 106.569 4.216 11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.633 5.126 10.282 1.00 0.00 H new ATOM 1373 N VAL A 90 105.570 3.133 6.623 1.00 0.00 N ATOM 1374 CA VAL A 90 104.782 2.602 5.475 1.00 0.00 C ATOM 1375 C VAL A 90 105.118 1.124 5.235 1.00 0.00 C ATOM 1376 O VAL A 90 104.250 0.273 5.231 1.00 0.00 O ATOM 1377 CB VAL A 90 105.206 3.458 4.279 1.00 0.00 C ATOM 1378 CG1 VAL A 90 104.410 3.041 3.045 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.929 4.936 4.579 1.00 0.00 C ATOM 0 H VAL A 90 106.070 4.002 6.435 1.00 0.00 H new ATOM 0 HA VAL A 90 103.707 2.652 5.651 1.00 0.00 H new ATOM 0 HB VAL A 90 106.271 3.315 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.712 3.651 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.603 1.991 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.346 3.183 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 90 105.232 5.543 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.864 5.076 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 90 105.494 5.241 5.460 1.00 0.00 H new ATOM 1389 N LEU A 91 106.376 0.812 5.045 1.00 0.00 N ATOM 1390 CA LEU A 91 106.773 -0.614 4.815 1.00 0.00 C ATOM 1391 C LEU A 91 106.170 -1.512 5.901 1.00 0.00 C ATOM 1392 O LEU A 91 105.361 -2.376 5.625 1.00 0.00 O ATOM 1393 CB LEU A 91 108.301 -0.625 4.901 1.00 0.00 C ATOM 1394 CG LEU A 91 108.893 -0.514 3.496 1.00 0.00 C ATOM 1395 CD1 LEU A 91 109.147 0.956 3.161 1.00 0.00 C ATOM 1396 CD2 LEU A 91 110.213 -1.289 3.437 1.00 0.00 C ATOM 0 H LEU A 91 107.146 1.482 5.039 1.00 0.00 H new ATOM 0 HA LEU A 91 106.418 -0.989 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.647 0.204 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.642 -1.543 5.379 1.00 0.00 H new ATOM 0 HG LEU A 91 108.193 -0.933 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 91 109.569 1.033 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 91 108.207 1.506 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 91 109.846 1.378 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 91 110.636 -1.211 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 91 110.913 -0.871 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 91 110.030 -2.337 3.673 1.00 0.00 H new ATOM 1408 N HIS A 92 106.551 -1.306 7.134 1.00 0.00 N ATOM 1409 CA HIS A 92 105.993 -2.141 8.240 1.00 0.00 C ATOM 1410 C HIS A 92 104.473 -1.957 8.325 1.00 0.00 C ATOM 1411 O HIS A 92 103.766 -2.790 8.858 1.00 0.00 O ATOM 1412 CB HIS A 92 106.667 -1.617 9.509 1.00 0.00 C ATOM 1413 CG HIS A 92 106.860 -2.747 10.482 1.00 0.00 C ATOM 1414 ND1 HIS A 92 106.954 -2.535 11.849 1.00 0.00 N ATOM 1415 CD2 HIS A 92 106.982 -4.103 10.304 1.00 0.00 C ATOM 1416 CE1 HIS A 92 107.124 -3.734 12.435 1.00 0.00 C ATOM 1417 NE2 HIS A 92 107.148 -4.724 11.538 1.00 0.00 N ATOM 0 H HIS A 92 107.224 -0.596 7.424 1.00 0.00 H new ATOM 0 HA HIS A 92 106.177 -3.205 8.089 1.00 0.00 H new ATOM 0 HB2 HIS A 92 107.629 -1.168 9.263 1.00 0.00 H new ATOM 0 HB3 HIS A 92 106.056 -0.835 9.961 1.00 0.00 H new ATOM 0 HD2 HIS A 92 106.953 -4.610 9.351 1.00 0.00 H new ATOM 0 HE1 HIS A 92 107.228 -3.879 13.500 1.00 0.00 H new ATOM 0 HE2 HIS A 92 107.263 -5.721 11.719 1.00 0.00 H new ATOM 1425 N ARG A 93 103.967 -0.869 7.804 1.00 0.00 N ATOM 1426 CA ARG A 93 102.494 -0.624 7.851 1.00 0.00 C ATOM 1427 C ARG A 93 101.779 -1.458 6.779 1.00 0.00 C ATOM 1428 O ARG A 93 100.567 -1.534 6.749 1.00 0.00 O ATOM 1429 CB ARG A 93 102.338 0.874 7.567 1.00 0.00 C ATOM 1430 CG ARG A 93 100.856 1.256 7.559 1.00 0.00 C ATOM 1431 CD ARG A 93 100.725 2.770 7.371 1.00 0.00 C ATOM 1432 NE ARG A 93 99.315 2.986 6.940 1.00 0.00 N ATOM 1433 CZ ARG A 93 98.748 4.151 7.117 1.00 0.00 C ATOM 1434 NH1 ARG A 93 99.426 5.246 6.906 1.00 0.00 N ATOM 1435 NH2 ARG A 93 97.504 4.220 7.505 1.00 0.00 N ATOM 0 H ARG A 93 104.512 -0.138 7.347 1.00 0.00 H new ATOM 0 HA ARG A 93 102.056 -0.907 8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 93 102.867 1.453 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 93 102.790 1.119 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.338 0.732 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.385 0.952 8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 93 100.940 3.303 8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 93 101.427 3.137 6.622 1.00 0.00 H new ATOM 0 HE ARG A 93 98.792 2.225 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 93 100.398 5.193 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 93 98.983 6.155 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 93 96.973 3.365 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 93 97.062 5.129 7.643 1.00 0.00 H new ATOM 1449 N ALA A 94 102.521 -2.084 5.902 1.00 0.00 N ATOM 1450 CA ALA A 94 101.892 -2.909 4.843 1.00 0.00 C ATOM 1451 C ALA A 94 102.623 -4.247 4.703 1.00 0.00 C ATOM 1452 O ALA A 94 102.733 -4.795 3.624 1.00 0.00 O ATOM 1453 CB ALA A 94 102.024 -2.085 3.562 1.00 0.00 C ATOM 0 H ALA A 94 103.540 -2.055 5.879 1.00 0.00 H new ATOM 0 HA ALA A 94 100.852 -3.142 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 94 101.580 -2.632 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.508 -1.133 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.078 -1.902 3.354 1.00 0.00 H new ATOM 1459 N GLY A 95 103.121 -4.777 5.789 1.00 0.00 N ATOM 1460 CA GLY A 95 103.844 -6.080 5.724 1.00 0.00 C ATOM 1461 C GLY A 95 105.184 -5.886 5.013 1.00 0.00 C ATOM 1462 O GLY A 95 105.280 -6.000 3.807 1.00 0.00 O ATOM 0 H GLY A 95 103.058 -4.363 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 95 104.007 -6.468 6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 95 103.241 -6.816 5.192 1.00 0.00 H new ATOM 1466 N ALA A 96 106.219 -5.589 5.753 1.00 0.00 N ATOM 1467 CA ALA A 96 107.556 -5.382 5.124 1.00 0.00 C ATOM 1468 C ALA A 96 108.572 -6.376 5.695 1.00 0.00 C ATOM 1469 O ALA A 96 108.426 -6.860 6.800 1.00 0.00 O ATOM 1470 CB ALA A 96 107.943 -3.951 5.493 1.00 0.00 C ATOM 0 H ALA A 96 106.196 -5.481 6.767 1.00 0.00 H new ATOM 0 HA ALA A 96 107.535 -5.537 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 96 108.919 -3.717 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 96 107.199 -3.259 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 96 107.988 -3.854 6.578 1.00 0.00 H new ATOM 1476 N ARG A 97 109.601 -6.679 4.949 1.00 0.00 N ATOM 1477 CA ARG A 97 110.629 -7.638 5.446 1.00 0.00 C ATOM 1478 C ARG A 97 111.727 -6.889 6.208 1.00 0.00 C ATOM 1479 O ARG A 97 112.821 -6.699 5.711 1.00 0.00 O ATOM 1480 CB ARG A 97 111.199 -8.293 4.188 1.00 0.00 C ATOM 1481 CG ARG A 97 111.527 -9.760 4.477 1.00 0.00 C ATOM 1482 CD ARG A 97 112.860 -9.847 5.222 1.00 0.00 C ATOM 1483 NE ARG A 97 112.672 -10.936 6.220 1.00 0.00 N ATOM 1484 CZ ARG A 97 113.083 -12.144 5.949 1.00 0.00 C ATOM 1485 NH1 ARG A 97 114.308 -12.339 5.545 1.00 0.00 N ATOM 1486 NH2 ARG A 97 112.271 -13.157 6.082 1.00 0.00 N ATOM 0 H ARG A 97 109.774 -6.303 4.017 1.00 0.00 H new ATOM 0 HA ARG A 97 110.211 -8.373 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 97 110.479 -8.225 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 97 112.097 -7.766 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 97 110.734 -10.210 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 97 111.582 -10.322 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.679 -10.074 4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 97 113.103 -8.903 5.709 1.00 0.00 H new ATOM 0 HE ARG A 97 112.223 -10.738 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 97 114.943 -11.547 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 97 114.631 -13.283 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 97 111.313 -13.005 6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.594 -14.101 5.870 1.00 0.00 H new ATOM 1500 N LEU A 98 111.443 -6.461 7.410 1.00 0.00 N ATOM 1501 CA LEU A 98 112.469 -5.724 8.204 1.00 0.00 C ATOM 1502 C LEU A 98 113.395 -6.713 8.917 1.00 0.00 C ATOM 1503 O LEU A 98 113.378 -6.834 10.127 1.00 0.00 O ATOM 1504 CB LEU A 98 111.673 -4.904 9.220 1.00 0.00 C ATOM 1505 CG LEU A 98 111.269 -3.567 8.598 1.00 0.00 C ATOM 1506 CD1 LEU A 98 109.934 -3.112 9.189 1.00 0.00 C ATOM 1507 CD2 LEU A 98 112.341 -2.517 8.900 1.00 0.00 C ATOM 0 H LEU A 98 110.545 -6.590 7.876 1.00 0.00 H new ATOM 0 HA LEU A 98 113.100 -5.093 7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 98 110.785 -5.455 9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 98 112.272 -4.734 10.114 1.00 0.00 H new ATOM 0 HG LEU A 98 111.169 -3.686 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.646 -2.159 8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 98 109.168 -3.858 8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.035 -2.995 10.268 1.00 0.00 H new ATOM 0 HD21 LEU A 98 112.052 -1.564 8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 98 112.441 -2.399 9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 98 113.294 -2.839 8.480 1.00 0.00 H new ATOM 1519 N ASP A 99 114.202 -7.421 8.174 1.00 0.00 N ATOM 1520 CA ASP A 99 115.133 -8.405 8.800 1.00 0.00 C ATOM 1521 C ASP A 99 116.127 -8.913 7.754 1.00 0.00 C ATOM 1522 O ASP A 99 116.392 -10.095 7.657 1.00 0.00 O ATOM 1523 CB ASP A 99 114.240 -9.545 9.291 1.00 0.00 C ATOM 1524 CG ASP A 99 114.860 -10.179 10.538 1.00 0.00 C ATOM 1525 OD1 ASP A 99 115.150 -9.447 11.470 1.00 0.00 O ATOM 1526 OD2 ASP A 99 115.031 -11.387 10.540 1.00 0.00 O ATOM 0 H ASP A 99 114.257 -7.361 7.157 1.00 0.00 H new ATOM 0 HA ASP A 99 115.714 -7.970 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 99 113.243 -9.168 9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 99 114.125 -10.294 8.508 1.00 0.00 H new ATOM 1531 N VAL A 100 116.673 -8.026 6.968 1.00 0.00 N ATOM 1532 CA VAL A 100 117.646 -8.449 5.921 1.00 0.00 C ATOM 1533 C VAL A 100 118.964 -7.685 6.090 1.00 0.00 C ATOM 1534 O VAL A 100 119.055 -6.751 6.863 1.00 0.00 O ATOM 1535 CB VAL A 100 116.974 -8.083 4.592 1.00 0.00 C ATOM 1536 CG1 VAL A 100 116.914 -6.561 4.445 1.00 0.00 C ATOM 1537 CG2 VAL A 100 117.777 -8.680 3.434 1.00 0.00 C ATOM 0 H VAL A 100 116.487 -7.024 7.006 1.00 0.00 H new ATOM 0 HA VAL A 100 117.886 -9.511 5.977 1.00 0.00 H new ATOM 0 HB VAL A 100 115.961 -8.484 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.436 -6.305 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 100 116.339 -6.138 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 100 117.925 -6.154 4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 100 117.300 -8.421 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 100 118.791 -8.281 3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 100 117.812 -9.765 3.537 1.00 0.00 H new ATOM 1547 N CYS A 101 119.980 -8.064 5.363 1.00 0.00 N ATOM 1548 CA CYS A 101 121.285 -7.348 5.472 1.00 0.00 C ATOM 1549 C CYS A 101 121.677 -6.802 4.100 1.00 0.00 C ATOM 1550 O CYS A 101 121.551 -7.481 3.100 1.00 0.00 O ATOM 1551 CB CYS A 101 122.331 -8.379 5.946 1.00 0.00 C ATOM 1552 SG CYS A 101 121.547 -9.945 6.424 1.00 0.00 S ATOM 0 H CYS A 101 119.964 -8.838 4.699 1.00 0.00 H new ATOM 0 HA CYS A 101 121.222 -6.515 6.172 1.00 0.00 H new ATOM 0 HB2 CYS A 101 123.053 -8.560 5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 101 122.885 -7.974 6.793 1.00 0.00 H new ATOM 0 HG CYS A 101 122.459 -10.785 6.814 1.00 0.00 H new ATOM 1558 N ASP A 102 122.153 -5.588 4.041 1.00 0.00 N ATOM 1559 CA ASP A 102 122.555 -5.017 2.724 1.00 0.00 C ATOM 1560 C ASP A 102 123.805 -5.737 2.220 1.00 0.00 C ATOM 1561 O ASP A 102 124.900 -5.209 2.248 1.00 0.00 O ATOM 1562 CB ASP A 102 122.840 -3.536 2.990 1.00 0.00 C ATOM 1563 CG ASP A 102 121.994 -2.673 2.051 1.00 0.00 C ATOM 1564 OD1 ASP A 102 120.807 -2.932 1.951 1.00 0.00 O ATOM 1565 OD2 ASP A 102 122.549 -1.770 1.448 1.00 0.00 O ATOM 0 H ASP A 102 122.280 -4.970 4.842 1.00 0.00 H new ATOM 0 HA ASP A 102 121.785 -5.135 1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.613 -3.292 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 102 123.899 -3.326 2.838 1.00 0.00 H new ATOM 1570 N ALA A 103 123.635 -6.950 1.770 1.00 0.00 N ATOM 1571 CA ALA A 103 124.783 -7.763 1.261 1.00 0.00 C ATOM 1572 C ALA A 103 125.733 -8.095 2.413 1.00 0.00 C ATOM 1573 O ALA A 103 125.843 -9.230 2.835 1.00 0.00 O ATOM 1574 CB ALA A 103 125.490 -6.894 0.213 1.00 0.00 C ATOM 0 H ALA A 103 122.732 -7.423 1.732 1.00 0.00 H new ATOM 0 HA ALA A 103 124.451 -8.706 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 103 126.341 -7.438 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 103 124.793 -6.653 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 103 125.838 -5.973 0.680 1.00 0.00 H new ATOM 1580 N TRP A 104 126.414 -7.108 2.927 1.00 0.00 N ATOM 1581 CA TRP A 104 127.355 -7.351 4.058 1.00 0.00 C ATOM 1582 C TRP A 104 127.266 -6.190 5.051 1.00 0.00 C ATOM 1583 O TRP A 104 128.252 -5.785 5.636 1.00 0.00 O ATOM 1584 CB TRP A 104 128.754 -7.407 3.430 1.00 0.00 C ATOM 1585 CG TRP A 104 128.708 -8.141 2.124 1.00 0.00 C ATOM 1586 CD1 TRP A 104 128.569 -9.479 1.987 1.00 0.00 C ATOM 1587 CD2 TRP A 104 128.799 -7.598 0.774 1.00 0.00 C ATOM 1588 NE1 TRP A 104 128.569 -9.793 0.639 1.00 0.00 N ATOM 1589 CE2 TRP A 104 128.708 -8.667 -0.148 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.949 -6.295 0.266 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 128.765 -8.451 -1.526 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 129.006 -6.074 -1.121 1.00 0.00 C ATOM 1593 CH2 TRP A 104 128.915 -7.151 -2.014 1.00 0.00 C ATOM 0 H TRP A 104 126.359 -6.140 2.611 1.00 0.00 H new ATOM 0 HA TRP A 104 127.124 -8.270 4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 104 129.131 -6.396 3.274 1.00 0.00 H new ATOM 0 HB3 TRP A 104 129.446 -7.904 4.110 1.00 0.00 H new ATOM 0 HD1 TRP A 104 128.474 -10.187 2.797 1.00 0.00 H new ATOM 0 HE1 TRP A 104 128.478 -10.740 0.272 1.00 0.00 H new ATOM 0 HE3 TRP A 104 129.021 -5.459 0.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 128.694 -9.284 -2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 129.120 -5.069 -1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 104 128.961 -6.975 -3.079 1.00 0.00 H new ATOM 1604 N GLY A 105 126.093 -5.643 5.232 1.00 0.00 N ATOM 1605 CA GLY A 105 125.942 -4.497 6.174 1.00 0.00 C ATOM 1606 C GLY A 105 125.220 -4.944 7.445 1.00 0.00 C ATOM 1607 O GLY A 105 124.619 -4.143 8.133 1.00 0.00 O ATOM 0 H GLY A 105 125.234 -5.940 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 105 126.923 -4.095 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 105 125.383 -3.694 5.694 1.00 0.00 H new ATOM 1611 N ARG A 106 125.283 -6.211 7.770 1.00 0.00 N ATOM 1612 CA ARG A 106 124.606 -6.717 9.009 1.00 0.00 C ATOM 1613 C ARG A 106 123.097 -6.446 8.954 1.00 0.00 C ATOM 1614 O ARG A 106 122.302 -7.347 8.768 1.00 0.00 O ATOM 1615 CB ARG A 106 125.248 -5.949 10.170 1.00 0.00 C ATOM 1616 CG ARG A 106 126.240 -6.857 10.902 1.00 0.00 C ATOM 1617 CD ARG A 106 126.966 -6.053 11.983 1.00 0.00 C ATOM 1618 NE ARG A 106 127.963 -5.223 11.248 1.00 0.00 N ATOM 1619 CZ ARG A 106 128.689 -4.352 11.894 1.00 0.00 C ATOM 1620 NH1 ARG A 106 128.126 -3.530 12.736 1.00 0.00 N ATOM 1621 NH2 ARG A 106 129.979 -4.305 11.700 1.00 0.00 N ATOM 0 H ARG A 106 125.776 -6.922 7.229 1.00 0.00 H new ATOM 0 HA ARG A 106 124.726 -7.795 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 106 125.760 -5.063 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 106 124.478 -5.604 10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 106 125.715 -7.700 11.352 1.00 0.00 H new ATOM 0 HG3 ARG A 106 126.960 -7.270 10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 106 126.270 -5.429 12.544 1.00 0.00 H new ATOM 0 HD3 ARG A 106 127.454 -6.711 12.702 1.00 0.00 H new ATOM 0 HE ARG A 106 128.078 -5.336 10.241 1.00 0.00 H new ATOM 0 HH11 ARG A 106 127.118 -3.568 12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 106 128.693 -2.849 13.241 1.00 0.00 H new ATOM 0 HH21 ARG A 106 130.420 -4.949 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 106 130.546 -3.624 12.205 1.00 0.00 H new ATOM 1635 N LEU A 107 122.697 -5.215 9.119 1.00 0.00 N ATOM 1636 CA LEU A 107 121.243 -4.887 9.080 1.00 0.00 C ATOM 1637 C LEU A 107 121.047 -3.416 8.697 1.00 0.00 C ATOM 1638 O LEU A 107 121.992 -2.652 8.687 1.00 0.00 O ATOM 1639 CB LEU A 107 120.742 -5.146 10.501 1.00 0.00 C ATOM 1640 CG LEU A 107 120.345 -6.618 10.644 1.00 0.00 C ATOM 1641 CD1 LEU A 107 121.446 -7.377 11.390 1.00 0.00 C ATOM 1642 CD2 LEU A 107 119.036 -6.719 11.430 1.00 0.00 C ATOM 0 H LEU A 107 123.316 -4.420 9.280 1.00 0.00 H new ATOM 0 HA LEU A 107 120.701 -5.482 8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 107 121.520 -4.897 11.223 1.00 0.00 H new ATOM 0 HB3 LEU A 107 119.887 -4.505 10.719 1.00 0.00 H new ATOM 0 HG LEU A 107 120.211 -7.054 9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 107 121.162 -8.424 11.491 1.00 0.00 H new ATOM 0 HD12 LEU A 107 122.379 -7.307 10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 107 121.582 -6.941 12.380 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.753 -7.767 11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 107 119.171 -6.281 12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 107 118.251 -6.181 10.899 1.00 0.00 H new ATOM 1654 N PRO A 108 119.825 -3.062 8.390 1.00 0.00 N ATOM 1655 CA PRO A 108 119.519 -1.663 8.003 1.00 0.00 C ATOM 1656 C PRO A 108 119.625 -0.737 9.216 1.00 0.00 C ATOM 1657 O PRO A 108 119.980 0.420 9.095 1.00 0.00 O ATOM 1658 CB PRO A 108 118.083 -1.739 7.489 1.00 0.00 C ATOM 1659 CG PRO A 108 117.498 -2.938 8.162 1.00 0.00 C ATOM 1660 CD PRO A 108 118.626 -3.913 8.375 1.00 0.00 C ATOM 0 HA PRO A 108 120.208 -1.261 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 108 117.526 -0.835 7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 108 118.056 -1.842 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.041 -2.663 9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 108 116.714 -3.382 7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 108 118.511 -4.460 9.311 1.00 0.00 H new ATOM 0 HD3 PRO A 108 118.671 -4.654 7.577 1.00 0.00 H new ATOM 1668 N VAL A 109 119.325 -1.236 10.386 1.00 0.00 N ATOM 1669 CA VAL A 109 119.415 -0.380 11.606 1.00 0.00 C ATOM 1670 C VAL A 109 120.866 0.054 11.837 1.00 0.00 C ATOM 1671 O VAL A 109 121.134 1.174 12.223 1.00 0.00 O ATOM 1672 CB VAL A 109 118.919 -1.260 12.757 1.00 0.00 C ATOM 1673 CG1 VAL A 109 119.823 -2.487 12.905 1.00 0.00 C ATOM 1674 CG2 VAL A 109 118.943 -0.453 14.057 1.00 0.00 C ATOM 0 H VAL A 109 119.022 -2.196 10.550 1.00 0.00 H new ATOM 0 HA VAL A 109 118.822 0.530 11.516 1.00 0.00 H new ATOM 0 HB VAL A 109 117.902 -1.589 12.544 1.00 0.00 H new ATOM 0 HG11 VAL A 109 119.463 -3.107 13.726 1.00 0.00 H new ATOM 0 HG12 VAL A 109 119.808 -3.064 11.980 1.00 0.00 H new ATOM 0 HG13 VAL A 109 120.843 -2.164 13.114 1.00 0.00 H new ATOM 0 HG21 VAL A 109 118.590 -1.076 14.879 1.00 0.00 H new ATOM 0 HG22 VAL A 109 119.962 -0.124 14.262 1.00 0.00 H new ATOM 0 HG23 VAL A 109 118.294 0.417 13.957 1.00 0.00 H new ATOM 1684 N ASP A 110 121.802 -0.826 11.602 1.00 0.00 N ATOM 1685 CA ASP A 110 123.237 -0.466 11.805 1.00 0.00 C ATOM 1686 C ASP A 110 123.657 0.607 10.797 1.00 0.00 C ATOM 1687 O ASP A 110 124.217 1.623 11.157 1.00 0.00 O ATOM 1688 CB ASP A 110 124.011 -1.762 11.564 1.00 0.00 C ATOM 1689 CG ASP A 110 123.589 -2.808 12.597 1.00 0.00 C ATOM 1690 OD1 ASP A 110 123.326 -2.424 13.725 1.00 0.00 O ATOM 1691 OD2 ASP A 110 123.535 -3.974 12.243 1.00 0.00 O ATOM 0 H ASP A 110 121.636 -1.779 11.278 1.00 0.00 H new ATOM 0 HA ASP A 110 123.425 -0.061 12.799 1.00 0.00 H new ATOM 0 HB2 ASP A 110 123.818 -2.131 10.557 1.00 0.00 H new ATOM 0 HB3 ASP A 110 125.083 -1.577 11.635 1.00 0.00 H new ATOM 1696 N LEU A 111 123.388 0.388 9.536 1.00 0.00 N ATOM 1697 CA LEU A 111 123.770 1.396 8.501 1.00 0.00 C ATOM 1698 C LEU A 111 123.170 2.763 8.844 1.00 0.00 C ATOM 1699 O LEU A 111 123.717 3.794 8.506 1.00 0.00 O ATOM 1700 CB LEU A 111 123.179 0.868 7.193 1.00 0.00 C ATOM 1701 CG LEU A 111 123.733 1.680 6.021 1.00 0.00 C ATOM 1702 CD1 LEU A 111 123.896 0.771 4.800 1.00 0.00 C ATOM 1703 CD2 LEU A 111 122.764 2.816 5.685 1.00 0.00 C ATOM 0 H LEU A 111 122.921 -0.445 9.178 1.00 0.00 H new ATOM 0 HA LEU A 111 124.850 1.529 8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 111 123.427 -0.186 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 111 122.092 0.939 7.217 1.00 0.00 H new ATOM 0 HG LEU A 111 124.702 2.097 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 111 124.291 1.350 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 111 124.586 -0.038 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 111 122.927 0.353 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 111 123.158 3.395 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 111 121.795 2.399 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 111 122.648 3.464 6.554 1.00 0.00 H new ATOM 1715 N ALA A 112 122.048 2.775 9.515 1.00 0.00 N ATOM 1716 CA ALA A 112 121.410 4.074 9.883 1.00 0.00 C ATOM 1717 C ALA A 112 122.272 4.815 10.909 1.00 0.00 C ATOM 1718 O ALA A 112 122.944 5.776 10.589 1.00 0.00 O ATOM 1719 CB ALA A 112 120.056 3.697 10.489 1.00 0.00 C ATOM 0 H ALA A 112 121.546 1.942 9.824 1.00 0.00 H new ATOM 0 HA ALA A 112 121.299 4.736 9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 112 119.525 4.602 10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 112 119.465 3.155 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 112 120.212 3.065 11.363 1.00 0.00 H new ATOM 1725 N GLU A 113 122.253 4.380 12.142 1.00 0.00 N ATOM 1726 CA GLU A 113 123.067 5.063 13.192 1.00 0.00 C ATOM 1727 C GLU A 113 124.530 5.185 12.752 1.00 0.00 C ATOM 1728 O GLU A 113 125.240 6.078 13.170 1.00 0.00 O ATOM 1729 CB GLU A 113 122.957 4.185 14.445 1.00 0.00 C ATOM 1730 CG GLU A 113 123.234 2.724 14.089 1.00 0.00 C ATOM 1731 CD GLU A 113 123.608 1.951 15.355 1.00 0.00 C ATOM 1732 OE1 GLU A 113 122.842 1.999 16.303 1.00 0.00 O ATOM 1733 OE2 GLU A 113 124.654 1.323 15.355 1.00 0.00 O ATOM 0 H GLU A 113 121.709 3.581 12.468 1.00 0.00 H new ATOM 0 HA GLU A 113 122.707 6.075 13.376 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.667 4.524 15.200 1.00 0.00 H new ATOM 0 HB3 GLU A 113 121.961 4.279 14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 113 122.354 2.279 13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 113 124.043 2.663 13.361 1.00 0.00 H new ATOM 1740 N GLU A 114 124.985 4.291 11.914 1.00 0.00 N ATOM 1741 CA GLU A 114 126.404 4.353 11.450 1.00 0.00 C ATOM 1742 C GLU A 114 126.690 5.692 10.759 1.00 0.00 C ATOM 1743 O GLU A 114 127.653 6.366 11.073 1.00 0.00 O ATOM 1744 CB GLU A 114 126.552 3.194 10.463 1.00 0.00 C ATOM 1745 CG GLU A 114 127.105 1.968 11.195 1.00 0.00 C ATOM 1746 CD GLU A 114 127.552 0.919 10.174 1.00 0.00 C ATOM 1747 OE1 GLU A 114 128.541 1.160 9.502 1.00 0.00 O ATOM 1748 OE2 GLU A 114 126.900 -0.108 10.085 1.00 0.00 O ATOM 0 H GLU A 114 124.437 3.521 11.531 1.00 0.00 H new ATOM 0 HA GLU A 114 127.107 4.275 12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 114 125.587 2.959 10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 114 127.220 3.478 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 114 127.945 2.257 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 114 126.342 1.549 11.852 1.00 0.00 H new ATOM 1755 N GLN A 115 125.868 6.082 9.820 1.00 0.00 N ATOM 1756 CA GLN A 115 126.105 7.377 9.114 1.00 0.00 C ATOM 1757 C GLN A 115 125.652 8.552 9.989 1.00 0.00 C ATOM 1758 O GLN A 115 126.459 9.239 10.584 1.00 0.00 O ATOM 1759 CB GLN A 115 125.266 7.297 7.836 1.00 0.00 C ATOM 1760 CG GLN A 115 126.029 6.498 6.777 1.00 0.00 C ATOM 1761 CD GLN A 115 127.238 7.305 6.300 1.00 0.00 C ATOM 1762 OE1 GLN A 115 127.236 8.518 6.360 1.00 0.00 O ATOM 1763 NE2 GLN A 115 128.279 6.678 5.824 1.00 0.00 N ATOM 0 H GLN A 115 125.046 5.563 9.512 1.00 0.00 H new ATOM 0 HA GLN A 115 127.160 7.538 8.895 1.00 0.00 H new ATOM 0 HB2 GLN A 115 124.308 6.822 8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 115 125.050 8.299 7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 115 126.356 5.544 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 115 125.374 6.272 5.935 1.00 0.00 H new ATOM 0 HE21 GLN A 115 128.282 5.659 5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 115 129.090 7.207 5.503 1.00 0.00 H new ATOM 1772 N GLY A 116 124.368 8.787 10.073 1.00 0.00 N ATOM 1773 CA GLY A 116 123.870 9.917 10.911 1.00 0.00 C ATOM 1774 C GLY A 116 122.355 9.796 11.090 1.00 0.00 C ATOM 1775 O GLY A 116 121.647 10.782 11.148 1.00 0.00 O ATOM 0 H GLY A 116 123.645 8.246 9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 116 124.363 9.907 11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 116 124.116 10.868 10.439 1.00 0.00 H new ATOM 1779 N HIS A 117 121.853 8.593 11.178 1.00 0.00 N ATOM 1780 CA HIS A 117 120.380 8.406 11.354 1.00 0.00 C ATOM 1781 C HIS A 117 120.105 7.598 12.624 1.00 0.00 C ATOM 1782 O HIS A 117 119.850 6.410 12.572 1.00 0.00 O ATOM 1783 CB HIS A 117 119.909 7.632 10.116 1.00 0.00 C ATOM 1784 CG HIS A 117 120.680 8.074 8.900 1.00 0.00 C ATOM 1785 ND1 HIS A 117 120.377 9.240 8.214 1.00 0.00 N ATOM 1786 CD2 HIS A 117 121.746 7.517 8.239 1.00 0.00 C ATOM 1787 CE1 HIS A 117 121.246 9.345 7.191 1.00 0.00 C ATOM 1788 NE2 HIS A 117 122.102 8.321 7.161 1.00 0.00 N ATOM 0 H HIS A 117 122.397 7.731 11.136 1.00 0.00 H new ATOM 0 HA HIS A 117 119.857 9.357 11.453 1.00 0.00 H new ATOM 0 HB2 HIS A 117 120.046 6.562 10.273 1.00 0.00 H new ATOM 0 HB3 HIS A 117 118.843 7.797 9.959 1.00 0.00 H new ATOM 0 HD2 HIS A 117 122.235 6.594 8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 117 121.250 10.159 6.481 1.00 0.00 H new ATOM 0 HE2 HIS A 117 122.855 8.162 6.492 1.00 0.00 H new ATOM 1796 N ARG A 118 120.156 8.231 13.765 1.00 0.00 N ATOM 1797 CA ARG A 118 119.898 7.500 15.040 1.00 0.00 C ATOM 1798 C ARG A 118 118.392 7.359 15.272 1.00 0.00 C ATOM 1799 O ARG A 118 117.916 6.333 15.717 1.00 0.00 O ATOM 1800 CB ARG A 118 120.531 8.363 16.131 1.00 0.00 C ATOM 1801 CG ARG A 118 122.052 8.204 16.090 1.00 0.00 C ATOM 1802 CD ARG A 118 122.664 8.790 17.365 1.00 0.00 C ATOM 1803 NE ARG A 118 122.062 8.007 18.481 1.00 0.00 N ATOM 1804 CZ ARG A 118 122.420 6.767 18.676 1.00 0.00 C ATOM 1805 NH1 ARG A 118 123.678 6.473 18.862 1.00 0.00 N ATOM 1806 NH2 ARG A 118 121.520 5.822 18.685 1.00 0.00 N ATOM 0 H ARG A 118 120.365 9.224 13.870 1.00 0.00 H new ATOM 0 HA ARG A 118 120.314 6.492 15.028 1.00 0.00 H new ATOM 0 HB2 ARG A 118 120.260 9.409 15.985 1.00 0.00 H new ATOM 0 HB3 ARG A 118 120.150 8.069 17.109 1.00 0.00 H new ATOM 0 HG2 ARG A 118 122.315 7.150 15.999 1.00 0.00 H new ATOM 0 HG3 ARG A 118 122.457 8.710 15.214 1.00 0.00 H new ATOM 0 HD2 ARG A 118 123.750 8.697 17.360 1.00 0.00 H new ATOM 0 HD3 ARG A 118 122.435 9.851 17.460 1.00 0.00 H new ATOM 0 HE ARG A 118 121.370 8.440 19.093 1.00 0.00 H new ATOM 0 HH11 ARG A 118 124.381 7.212 18.855 1.00 0.00 H new ATOM 0 HH12 ARG A 118 123.958 5.504 19.014 1.00 0.00 H new ATOM 0 HH21 ARG A 118 120.537 6.052 18.540 1.00 0.00 H new ATOM 0 HH22 ARG A 118 121.800 4.853 18.837 1.00 0.00 H new ATOM 1820 N ASP A 119 117.638 8.385 14.975 1.00 0.00 N ATOM 1821 CA ASP A 119 116.159 8.313 15.180 1.00 0.00 C ATOM 1822 C ASP A 119 115.574 7.128 14.409 1.00 0.00 C ATOM 1823 O ASP A 119 114.744 6.396 14.912 1.00 0.00 O ATOM 1824 CB ASP A 119 115.615 9.629 14.623 1.00 0.00 C ATOM 1825 CG ASP A 119 116.143 10.797 15.457 1.00 0.00 C ATOM 1826 OD1 ASP A 119 115.938 10.781 16.660 1.00 0.00 O ATOM 1827 OD2 ASP A 119 116.743 11.688 14.879 1.00 0.00 O ATOM 0 H ASP A 119 117.981 9.269 14.600 1.00 0.00 H new ATOM 0 HA ASP A 119 115.897 8.173 16.229 1.00 0.00 H new ATOM 0 HB2 ASP A 119 115.916 9.747 13.582 1.00 0.00 H new ATOM 0 HB3 ASP A 119 114.525 9.620 14.640 1.00 0.00 H new ATOM 1832 N ILE A 120 116.003 6.934 13.191 1.00 0.00 N ATOM 1833 CA ILE A 120 115.473 5.797 12.385 1.00 0.00 C ATOM 1834 C ILE A 120 116.113 4.485 12.847 1.00 0.00 C ATOM 1835 O ILE A 120 115.469 3.457 12.912 1.00 0.00 O ATOM 1836 CB ILE A 120 115.864 6.124 10.940 1.00 0.00 C ATOM 1837 CG1 ILE A 120 115.130 5.179 9.989 1.00 0.00 C ATOM 1838 CG2 ILE A 120 117.376 5.965 10.750 1.00 0.00 C ATOM 1839 CD1 ILE A 120 115.405 5.598 8.544 1.00 0.00 C ATOM 0 H ILE A 120 116.697 7.514 12.719 1.00 0.00 H new ATOM 0 HA ILE A 120 114.395 5.672 12.491 1.00 0.00 H new ATOM 0 HB ILE A 120 115.587 7.156 10.723 1.00 0.00 H new ATOM 0 HG12 ILE A 120 115.461 4.153 10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 120 114.059 5.204 10.189 1.00 0.00 H new ATOM 0 HG21 ILE A 120 117.640 6.200 9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 120 117.901 6.643 11.423 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.665 4.938 10.973 1.00 0.00 H new ATOM 0 HD11 ILE A 120 114.882 4.925 7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 120 115.053 6.618 8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 120 116.476 5.550 8.349 1.00 0.00 H new ATOM 1851 N ALA A 121 117.376 4.521 13.171 1.00 0.00 N ATOM 1852 CA ALA A 121 118.067 3.283 13.634 1.00 0.00 C ATOM 1853 C ALA A 121 117.367 2.726 14.878 1.00 0.00 C ATOM 1854 O ALA A 121 117.123 1.540 14.986 1.00 0.00 O ATOM 1855 CB ALA A 121 119.493 3.725 13.969 1.00 0.00 C ATOM 0 H ALA A 121 117.961 5.356 13.135 1.00 0.00 H new ATOM 0 HA ALA A 121 118.055 2.494 12.882 1.00 0.00 H new ATOM 0 HB1 ALA A 121 120.067 2.867 14.318 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.965 4.139 13.078 1.00 0.00 H new ATOM 0 HB3 ALA A 121 119.464 4.485 14.750 1.00 0.00 H new ATOM 1861 N ARG A 122 117.037 3.576 15.814 1.00 0.00 N ATOM 1862 CA ARG A 122 116.346 3.099 17.048 1.00 0.00 C ATOM 1863 C ARG A 122 114.994 2.479 16.685 1.00 0.00 C ATOM 1864 O ARG A 122 114.637 1.421 17.165 1.00 0.00 O ATOM 1865 CB ARG A 122 116.153 4.353 17.903 1.00 0.00 C ATOM 1866 CG ARG A 122 117.513 4.834 18.411 1.00 0.00 C ATOM 1867 CD ARG A 122 117.355 6.197 19.090 1.00 0.00 C ATOM 1868 NE ARG A 122 116.906 5.892 20.478 1.00 0.00 N ATOM 1869 CZ ARG A 122 117.708 5.280 21.307 1.00 0.00 C ATOM 1870 NH1 ARG A 122 118.948 5.671 21.426 1.00 0.00 N ATOM 1871 NH2 ARG A 122 117.270 4.274 22.014 1.00 0.00 N ATOM 0 H ARG A 122 117.216 4.580 15.778 1.00 0.00 H new ATOM 0 HA ARG A 122 116.916 2.333 17.575 1.00 0.00 H new ATOM 0 HB2 ARG A 122 115.673 5.137 17.316 1.00 0.00 H new ATOM 0 HB3 ARG A 122 115.494 4.136 18.744 1.00 0.00 H new ATOM 0 HG2 ARG A 122 117.926 4.111 19.115 1.00 0.00 H new ATOM 0 HG3 ARG A 122 118.216 4.909 17.582 1.00 0.00 H new ATOM 0 HD2 ARG A 122 118.296 6.747 19.092 1.00 0.00 H new ATOM 0 HD3 ARG A 122 116.625 6.815 18.567 1.00 0.00 H new ATOM 0 HE ARG A 122 115.970 6.162 20.781 1.00 0.00 H new ATOM 0 HH11 ARG A 122 119.291 6.455 20.871 1.00 0.00 H new ATOM 0 HH12 ARG A 122 119.574 5.192 22.074 1.00 0.00 H new ATOM 0 HH21 ARG A 122 116.302 3.967 21.919 1.00 0.00 H new ATOM 0 HH22 ARG A 122 117.896 3.795 22.662 1.00 0.00 H new ATOM 1885 N TYR A 123 114.244 3.129 15.836 1.00 0.00 N ATOM 1886 CA TYR A 123 112.916 2.579 15.431 1.00 0.00 C ATOM 1887 C TYR A 123 113.105 1.261 14.673 1.00 0.00 C ATOM 1888 O TYR A 123 112.328 0.336 14.813 1.00 0.00 O ATOM 1889 CB TYR A 123 112.310 3.649 14.517 1.00 0.00 C ATOM 1890 CG TYR A 123 110.972 3.182 13.995 1.00 0.00 C ATOM 1891 CD1 TYR A 123 110.910 2.368 12.857 1.00 0.00 C ATOM 1892 CD2 TYR A 123 109.793 3.567 14.645 1.00 0.00 C ATOM 1893 CE1 TYR A 123 109.671 1.939 12.370 1.00 0.00 C ATOM 1894 CE2 TYR A 123 108.553 3.137 14.157 1.00 0.00 C ATOM 1895 CZ TYR A 123 108.492 2.323 13.020 1.00 0.00 C ATOM 1896 OH TYR A 123 107.269 1.900 12.539 1.00 0.00 O ATOM 0 H TYR A 123 114.493 4.019 15.404 1.00 0.00 H new ATOM 0 HA TYR A 123 112.273 2.364 16.285 1.00 0.00 H new ATOM 0 HB2 TYR A 123 112.190 4.583 15.066 1.00 0.00 H new ATOM 0 HB3 TYR A 123 112.984 3.853 13.685 1.00 0.00 H new ATOM 0 HD1 TYR A 123 111.819 2.071 12.355 1.00 0.00 H new ATOM 0 HD2 TYR A 123 109.840 4.195 15.522 1.00 0.00 H new ATOM 0 HE1 TYR A 123 109.624 1.311 11.492 1.00 0.00 H new ATOM 0 HE2 TYR A 123 107.643 3.434 14.658 1.00 0.00 H new ATOM 0 HH TYR A 123 106.554 2.255 13.107 1.00 0.00 H new ATOM 1906 N LEU A 124 114.134 1.169 13.872 1.00 0.00 N ATOM 1907 CA LEU A 124 114.376 -0.088 13.105 1.00 0.00 C ATOM 1908 C LEU A 124 114.599 -1.259 14.066 1.00 0.00 C ATOM 1909 O LEU A 124 113.879 -2.237 14.044 1.00 0.00 O ATOM 1910 CB LEU A 124 115.639 0.178 12.285 1.00 0.00 C ATOM 1911 CG LEU A 124 115.253 0.753 10.921 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.516 1.187 10.174 1.00 0.00 C ATOM 1913 CD2 LEU A 124 114.523 -0.316 10.104 1.00 0.00 C ATOM 0 H LEU A 124 114.817 1.910 13.716 1.00 0.00 H new ATOM 0 HA LEU A 124 113.529 -0.351 12.471 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.288 0.875 12.814 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.202 -0.746 12.155 1.00 0.00 H new ATOM 0 HG LEU A 124 114.599 1.613 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 124 116.241 1.597 9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 124 117.038 1.948 10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 124 117.169 0.326 10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 124 114.248 0.094 9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.177 -1.176 9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.623 -0.628 10.634 1.00 0.00 H new ATOM 1925 N HIS A 125 115.592 -1.164 14.912 1.00 0.00 N ATOM 1926 CA HIS A 125 115.864 -2.272 15.878 1.00 0.00 C ATOM 1927 C HIS A 125 114.598 -2.616 16.670 1.00 0.00 C ATOM 1928 O HIS A 125 114.445 -3.716 17.165 1.00 0.00 O ATOM 1929 CB HIS A 125 116.956 -1.735 16.809 1.00 0.00 C ATOM 1930 CG HIS A 125 118.190 -2.586 16.678 1.00 0.00 C ATOM 1931 ND1 HIS A 125 119.454 -2.039 16.525 1.00 0.00 N ATOM 1932 CD2 HIS A 125 118.368 -3.948 16.673 1.00 0.00 C ATOM 1933 CE1 HIS A 125 120.329 -3.058 16.435 1.00 0.00 C ATOM 1934 NE2 HIS A 125 119.719 -4.243 16.519 1.00 0.00 N ATOM 0 H HIS A 125 116.226 -0.368 14.976 1.00 0.00 H new ATOM 0 HA HIS A 125 116.176 -3.187 15.374 1.00 0.00 H new ATOM 0 HB2 HIS A 125 117.187 -0.700 16.557 1.00 0.00 H new ATOM 0 HB3 HIS A 125 116.605 -1.741 17.841 1.00 0.00 H new ATOM 0 HD2 HIS A 125 117.579 -4.679 16.773 1.00 0.00 H new ATOM 0 HE1 HIS A 125 121.394 -2.933 16.310 1.00 0.00 H new ATOM 0 HE2 HIS A 125 120.151 -5.166 16.479 1.00 0.00 H new ATOM 1942 N ALA A 126 113.688 -1.685 16.790 1.00 0.00 N ATOM 1943 CA ALA A 126 112.431 -1.960 17.545 1.00 0.00 C ATOM 1944 C ALA A 126 111.359 -2.534 16.611 1.00 0.00 C ATOM 1945 O ALA A 126 110.332 -3.013 17.054 1.00 0.00 O ATOM 1946 CB ALA A 126 111.991 -0.601 18.092 1.00 0.00 C ATOM 0 H ALA A 126 113.761 -0.746 16.398 1.00 0.00 H new ATOM 0 HA ALA A 126 112.582 -2.692 18.339 1.00 0.00 H new ATOM 0 HB1 ALA A 126 111.069 -0.719 18.662 1.00 0.00 H new ATOM 0 HB2 ALA A 126 112.770 -0.200 18.741 1.00 0.00 H new ATOM 0 HB3 ALA A 126 111.820 0.086 17.264 1.00 0.00 H new ATOM 1952 N ALA A 127 111.585 -2.490 15.322 1.00 0.00 N ATOM 1953 CA ALA A 127 110.573 -3.033 14.369 1.00 0.00 C ATOM 1954 C ALA A 127 111.226 -4.012 13.385 1.00 0.00 C ATOM 1955 O ALA A 127 110.629 -4.400 12.401 1.00 0.00 O ATOM 1956 CB ALA A 127 110.031 -1.810 13.629 1.00 0.00 C ATOM 0 H ALA A 127 112.424 -2.103 14.891 1.00 0.00 H new ATOM 0 HA ALA A 127 109.785 -3.586 14.881 1.00 0.00 H new ATOM 0 HB1 ALA A 127 109.278 -2.126 12.907 1.00 0.00 H new ATOM 0 HB2 ALA A 127 109.581 -1.122 14.344 1.00 0.00 H new ATOM 0 HB3 ALA A 127 110.847 -1.309 13.107 1.00 0.00 H new ATOM 1962 N THR A 128 112.442 -4.418 13.642 1.00 0.00 N ATOM 1963 CA THR A 128 113.120 -5.375 12.717 1.00 0.00 C ATOM 1964 C THR A 128 113.457 -6.678 13.452 1.00 0.00 C ATOM 1965 O THR A 128 113.608 -7.720 12.844 1.00 0.00 O ATOM 1966 CB THR A 128 114.395 -4.659 12.258 1.00 0.00 C ATOM 1967 OG1 THR A 128 115.050 -5.449 11.276 1.00 0.00 O ATOM 1968 CG2 THR A 128 115.335 -4.444 13.447 1.00 0.00 C ATOM 0 H THR A 128 112.994 -4.130 14.450 1.00 0.00 H new ATOM 0 HA THR A 128 112.488 -5.648 11.872 1.00 0.00 H new ATOM 0 HB THR A 128 114.128 -3.690 11.836 1.00 0.00 H new ATOM 0 HG1 THR A 128 114.521 -6.255 11.098 1.00 0.00 H new ATOM 0 HG21 THR A 128 116.238 -3.935 13.110 1.00 0.00 H new ATOM 0 HG22 THR A 128 114.835 -3.836 14.201 1.00 0.00 H new ATOM 0 HG23 THR A 128 115.602 -5.409 13.878 1.00 0.00 H new ATOM 1976 N GLY A 129 113.576 -6.628 14.753 1.00 0.00 N ATOM 1977 CA GLY A 129 113.903 -7.862 15.522 1.00 0.00 C ATOM 1978 C GLY A 129 115.406 -8.134 15.440 1.00 0.00 C ATOM 1979 O GLY A 129 115.938 -8.405 14.382 1.00 0.00 O ATOM 0 H GLY A 129 113.461 -5.785 15.315 1.00 0.00 H new ATOM 0 HA2 GLY A 129 113.601 -7.745 16.563 1.00 0.00 H new ATOM 0 HA3 GLY A 129 113.347 -8.710 15.122 1.00 0.00 H new ATOM 1983 N ASP A 130 116.095 -8.060 16.549 1.00 0.00 N ATOM 1984 CA ASP A 130 117.566 -8.310 16.539 1.00 0.00 C ATOM 1985 C ASP A 130 117.879 -9.645 15.855 1.00 0.00 C ATOM 1986 O ASP A 130 117.561 -10.672 16.432 1.00 0.00 O ATOM 1987 CB ASP A 130 117.978 -8.353 18.011 1.00 0.00 C ATOM 1988 CG ASP A 130 119.505 -8.371 18.109 1.00 0.00 C ATOM 1989 OD1 ASP A 130 120.120 -9.075 17.325 1.00 0.00 O ATOM 1990 OD2 ASP A 130 120.032 -7.679 18.964 1.00 0.00 O ATOM 1991 OXT ASP A 130 118.429 -9.616 14.766 1.00 0.00 O ATOM 0 H ASP A 130 115.701 -7.837 17.463 1.00 0.00 H new ATOM 0 HA ASP A 130 118.105 -7.539 15.988 1.00 0.00 H new ATOM 0 HB2 ASP A 130 117.579 -7.486 18.538 1.00 0.00 H new ATOM 0 HB3 ASP A 130 117.561 -9.238 18.491 1.00 0.00 H new TER 1996 ASP A 130