USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=19 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 46 MET CE :methyl 134:sc= -9.16! (180deg=-14.2!) USER MOD Set 1.2: A 48 MET CE :methyl -133:sc= -6.87 (180deg=-12.9!) USER MOD Set 1.3: A 87 THR OG1 : rot 171:sc= -0.0702 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0.311 USER MOD Set 2.2: A 73 THR OG1 : rot -113:sc= -0.658 USER MOD Set 3.1: A 18 GLN : amide:sc= 0.87 K(o=2,f=-2.4!) USER MOD Set 3.2: A 21 THR OG1 : rot -179:sc= 1.11 USER MOD Single : A 0 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-1.4) USER MOD Single : A 1 MET CE :methyl -100:sc= -0.147 (180deg=-0.687) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= -0.789 USER MOD Single : A -5 GLY N :NH3+ -125:sc= 0.103 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 24 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.9) USER MOD Single : A 33 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= -5.98! C(o=-6!,f=-5.3!) USER MOD Single : A 44 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.7!) USER MOD Single : A 47 MET CE :methyl -146:sc= -0.43 (180deg=-1.27) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.388 K(o=-0.39,f=-3.2!) USER MOD Single : A 60 HIS : no HD1:sc= -3.51 K(o=-3.5,f=-4.9!) USER MOD Single : A 65 ASN : amide:sc= -0.97 K(o=-0.97,f=-1.7!) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-3.9) USER MOD Single : A 92 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-0.88) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -2.28 K(o=-2.3,f=-6!) USER MOD Single : A 117 HIS : no HD1:sc= -3.3 X(o=-3.3,f=-3.4!) USER MOD Single : A 123 TYR OH : rot 180:sc= -0.605 USER MOD Single : A 125 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 128 THR OG1 : rot 72:sc= 0.932 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 95.680 7.419 -34.135 1.00 0.00 N ATOM 2 CA GLY A -5 95.111 6.376 -33.235 1.00 0.00 C ATOM 3 C GLY A -5 95.535 4.992 -33.728 1.00 0.00 C ATOM 4 O GLY A -5 96.488 4.851 -34.468 1.00 0.00 O ATOM 0 H1 GLY A -5 96.229 8.100 -33.573 1.00 0.00 H new ATOM 0 H2 GLY A -5 96.301 6.970 -34.838 1.00 0.00 H new ATOM 0 H3 GLY A -5 94.907 7.916 -34.623 1.00 0.00 H new ATOM 0 HA2 GLY A -5 95.459 6.532 -32.214 1.00 0.00 H new ATOM 0 HA3 GLY A -5 94.024 6.450 -33.216 1.00 0.00 H new ATOM 10 N SER A -4 94.831 3.968 -33.325 1.00 0.00 N ATOM 11 CA SER A -4 95.190 2.590 -33.770 1.00 0.00 C ATOM 12 C SER A -4 94.427 2.234 -35.053 1.00 0.00 C ATOM 13 O SER A -4 93.338 2.724 -35.278 1.00 0.00 O ATOM 14 CB SER A -4 94.761 1.680 -32.620 1.00 0.00 C ATOM 15 OG SER A -4 94.864 0.324 -33.032 1.00 0.00 O ATOM 0 H SER A -4 94.022 4.026 -32.706 1.00 0.00 H new ATOM 0 HA SER A -4 96.252 2.490 -33.994 1.00 0.00 H new ATOM 0 HB2 SER A -4 95.390 1.856 -31.747 1.00 0.00 H new ATOM 0 HB3 SER A -4 93.736 1.906 -32.325 1.00 0.00 H new ATOM 0 HG SER A -4 94.591 -0.263 -32.296 1.00 0.00 H new ATOM 21 N PRO A -3 95.026 1.390 -35.856 1.00 0.00 N ATOM 22 CA PRO A -3 94.385 0.973 -37.126 1.00 0.00 C ATOM 23 C PRO A -3 93.236 0.001 -36.849 1.00 0.00 C ATOM 24 O PRO A -3 92.210 0.036 -37.499 1.00 0.00 O ATOM 25 CB PRO A -3 95.512 0.282 -37.888 1.00 0.00 C ATOM 26 CG PRO A -3 96.465 -0.187 -36.835 1.00 0.00 C ATOM 27 CD PRO A -3 96.336 0.753 -35.663 1.00 0.00 C ATOM 0 HA PRO A -3 93.952 1.805 -37.681 1.00 0.00 H new ATOM 0 HB2 PRO A -3 95.135 -0.553 -38.478 1.00 0.00 H new ATOM 0 HB3 PRO A -3 95.998 0.969 -38.581 1.00 0.00 H new ATOM 0 HG2 PRO A -3 96.234 -1.209 -36.535 1.00 0.00 H new ATOM 0 HG3 PRO A -3 97.487 -0.190 -37.215 1.00 0.00 H new ATOM 0 HD2 PRO A -3 96.383 0.217 -34.715 1.00 0.00 H new ATOM 0 HD3 PRO A -3 97.140 1.489 -35.652 1.00 0.00 H new ATOM 35 N GLY A -2 93.400 -0.866 -35.885 1.00 0.00 N ATOM 36 CA GLY A -2 92.318 -1.839 -35.562 1.00 0.00 C ATOM 37 C GLY A -2 92.520 -3.122 -36.372 1.00 0.00 C ATOM 38 O GLY A -2 91.703 -3.482 -37.197 1.00 0.00 O ATOM 0 H GLY A -2 94.237 -0.942 -35.308 1.00 0.00 H new ATOM 0 HA2 GLY A -2 92.326 -2.065 -34.496 1.00 0.00 H new ATOM 0 HA3 GLY A -2 91.345 -1.404 -35.788 1.00 0.00 H new ATOM 42 N ILE A -1 93.603 -3.816 -36.142 1.00 0.00 N ATOM 43 CA ILE A -1 93.861 -5.080 -36.896 1.00 0.00 C ATOM 44 C ILE A -1 94.872 -5.950 -36.139 1.00 0.00 C ATOM 45 O ILE A -1 94.665 -7.134 -35.958 1.00 0.00 O ATOM 46 CB ILE A -1 94.413 -4.643 -38.268 1.00 0.00 C ATOM 47 CG1 ILE A -1 94.968 -5.861 -39.022 1.00 0.00 C ATOM 48 CG2 ILE A -1 95.537 -3.615 -38.091 1.00 0.00 C ATOM 49 CD1 ILE A -1 93.883 -6.933 -39.157 1.00 0.00 C ATOM 0 H ILE A -1 94.322 -3.563 -35.464 1.00 0.00 H new ATOM 0 HA ILE A -1 92.959 -5.680 -37.012 1.00 0.00 H new ATOM 0 HB ILE A -1 93.599 -4.194 -38.837 1.00 0.00 H new ATOM 0 HG12 ILE A -1 95.318 -5.559 -40.009 1.00 0.00 H new ATOM 0 HG13 ILE A -1 95.828 -6.267 -38.490 1.00 0.00 H new ATOM 0 HG21 ILE A -1 95.915 -3.317 -39.069 1.00 0.00 H new ATOM 0 HG22 ILE A -1 95.150 -2.739 -37.570 1.00 0.00 H new ATOM 0 HG23 ILE A -1 96.345 -4.057 -37.508 1.00 0.00 H new ATOM 0 HD11 ILE A -1 94.286 -7.793 -39.693 1.00 0.00 H new ATOM 0 HD12 ILE A -1 93.554 -7.245 -38.166 1.00 0.00 H new ATOM 0 HD13 ILE A -1 93.036 -6.526 -39.709 1.00 0.00 H new ATOM 61 N HIS A 0 95.960 -5.376 -35.693 1.00 0.00 N ATOM 62 CA HIS A 0 96.982 -6.172 -34.945 1.00 0.00 C ATOM 63 C HIS A 0 98.121 -5.265 -34.472 1.00 0.00 C ATOM 64 O HIS A 0 98.596 -4.417 -35.203 1.00 0.00 O ATOM 65 CB HIS A 0 97.512 -7.202 -35.946 1.00 0.00 C ATOM 66 CG HIS A 0 98.337 -8.225 -35.215 1.00 0.00 C ATOM 67 ND1 HIS A 0 99.592 -7.935 -34.703 1.00 0.00 N ATOM 68 CD2 HIS A 0 98.098 -9.540 -34.898 1.00 0.00 C ATOM 69 CE1 HIS A 0 100.055 -9.049 -34.110 1.00 0.00 C ATOM 70 NE2 HIS A 0 99.184 -10.058 -34.199 1.00 0.00 N ATOM 0 H HIS A 0 96.186 -4.389 -35.814 1.00 0.00 H new ATOM 0 HA HIS A 0 96.556 -6.645 -34.060 1.00 0.00 H new ATOM 0 HB2 HIS A 0 96.682 -7.687 -36.460 1.00 0.00 H new ATOM 0 HB3 HIS A 0 98.115 -6.709 -36.708 1.00 0.00 H new ATOM 0 HD2 HIS A 0 97.203 -10.089 -35.153 1.00 0.00 H new ATOM 0 HE1 HIS A 0 101.015 -9.120 -33.621 1.00 0.00 H new ATOM 0 HE2 HIS A 0 99.292 -11.004 -33.833 1.00 0.00 H new ATOM 78 N MET A 1 98.567 -5.440 -33.256 1.00 0.00 N ATOM 79 CA MET A 1 99.683 -4.595 -32.736 1.00 0.00 C ATOM 80 C MET A 1 100.178 -5.140 -31.394 1.00 0.00 C ATOM 81 O MET A 1 99.427 -5.715 -30.630 1.00 0.00 O ATOM 82 CB MET A 1 99.087 -3.193 -32.567 1.00 0.00 C ATOM 83 CG MET A 1 97.909 -3.240 -31.589 1.00 0.00 C ATOM 84 SD MET A 1 98.497 -2.869 -29.916 1.00 0.00 S ATOM 85 CE MET A 1 98.746 -1.092 -30.148 1.00 0.00 C ATOM 0 H MET A 1 98.206 -6.132 -32.599 1.00 0.00 H new ATOM 0 HA MET A 1 100.540 -4.587 -33.409 1.00 0.00 H new ATOM 0 HB2 MET A 1 99.849 -2.507 -32.198 1.00 0.00 H new ATOM 0 HB3 MET A 1 98.754 -2.811 -33.532 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.147 -2.520 -31.886 1.00 0.00 H new ATOM 0 HG3 MET A 1 97.443 -4.225 -31.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 99.803 -0.892 -30.322 1.00 0.00 H new ATOM 0 HE2 MET A 1 98.166 -0.752 -31.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 98.418 -0.559 -29.255 1.00 0.00 H new ATOM 95 N LEU A 2 101.441 -4.968 -31.103 1.00 0.00 N ATOM 96 CA LEU A 2 101.989 -5.480 -29.811 1.00 0.00 C ATOM 97 C LEU A 2 101.555 -4.572 -28.657 1.00 0.00 C ATOM 98 O LEU A 2 101.215 -3.422 -28.853 1.00 0.00 O ATOM 99 CB LEU A 2 103.508 -5.446 -29.979 1.00 0.00 C ATOM 100 CG LEU A 2 103.950 -6.595 -30.886 1.00 0.00 C ATOM 101 CD1 LEU A 2 103.784 -6.184 -32.350 1.00 0.00 C ATOM 102 CD2 LEU A 2 105.420 -6.921 -30.613 1.00 0.00 C ATOM 0 H LEU A 2 102.117 -4.495 -31.703 1.00 0.00 H new ATOM 0 HA LEU A 2 101.630 -6.483 -29.580 1.00 0.00 H new ATOM 0 HB2 LEU A 2 103.815 -4.492 -30.408 1.00 0.00 H new ATOM 0 HB3 LEU A 2 103.993 -5.530 -29.007 1.00 0.00 H new ATOM 0 HG LEU A 2 103.337 -7.473 -30.684 1.00 0.00 H new ATOM 0 HD11 LEU A 2 104.099 -7.003 -32.996 1.00 0.00 H new ATOM 0 HD12 LEU A 2 102.738 -5.950 -32.546 1.00 0.00 H new ATOM 0 HD13 LEU A 2 104.397 -5.306 -32.553 1.00 0.00 H new ATOM 0 HD21 LEU A 2 105.737 -7.740 -31.259 1.00 0.00 H new ATOM 0 HD22 LEU A 2 106.031 -6.042 -30.816 1.00 0.00 H new ATOM 0 HD23 LEU A 2 105.540 -7.214 -29.570 1.00 0.00 H new ATOM 114 N GLY A 3 101.563 -5.082 -27.454 1.00 0.00 N ATOM 115 CA GLY A 3 101.149 -4.250 -26.288 1.00 0.00 C ATOM 116 C GLY A 3 102.376 -3.900 -25.444 1.00 0.00 C ATOM 117 O GLY A 3 102.989 -4.759 -24.838 1.00 0.00 O ATOM 0 H GLY A 3 101.838 -6.038 -27.229 1.00 0.00 H new ATOM 0 HA2 GLY A 3 100.661 -3.339 -26.634 1.00 0.00 H new ATOM 0 HA3 GLY A 3 100.421 -4.791 -25.683 1.00 0.00 H new ATOM 121 N GLY A 4 102.738 -2.646 -25.399 1.00 0.00 N ATOM 122 CA GLY A 4 103.923 -2.236 -24.594 1.00 0.00 C ATOM 123 C GLY A 4 103.672 -0.858 -23.978 1.00 0.00 C ATOM 124 O GLY A 4 104.288 0.120 -24.351 1.00 0.00 O ATOM 0 H GLY A 4 102.262 -1.887 -25.886 1.00 0.00 H new ATOM 0 HA2 GLY A 4 104.113 -2.968 -23.809 1.00 0.00 H new ATOM 0 HA3 GLY A 4 104.812 -2.207 -25.225 1.00 0.00 H new ATOM 128 N SER A 5 102.769 -0.775 -23.036 1.00 0.00 N ATOM 129 CA SER A 5 102.477 0.542 -22.394 1.00 0.00 C ATOM 130 C SER A 5 103.728 1.076 -21.689 1.00 0.00 C ATOM 131 O SER A 5 104.815 0.560 -21.861 1.00 0.00 O ATOM 132 CB SER A 5 101.372 0.254 -21.377 1.00 0.00 C ATOM 133 OG SER A 5 101.667 -0.956 -20.691 1.00 0.00 O ATOM 0 H SER A 5 102.222 -1.560 -22.684 1.00 0.00 H new ATOM 0 HA SER A 5 102.175 1.296 -23.121 1.00 0.00 H new ATOM 0 HB2 SER A 5 101.292 1.077 -20.667 1.00 0.00 H new ATOM 0 HB3 SER A 5 100.409 0.174 -21.882 1.00 0.00 H new ATOM 0 HG SER A 5 100.961 -1.142 -20.037 1.00 0.00 H new ATOM 139 N SER A 6 103.580 2.105 -20.896 1.00 0.00 N ATOM 140 CA SER A 6 104.762 2.672 -20.179 1.00 0.00 C ATOM 141 C SER A 6 104.867 2.072 -18.775 1.00 0.00 C ATOM 142 O SER A 6 103.945 2.147 -17.987 1.00 0.00 O ATOM 143 CB SER A 6 104.496 4.175 -20.095 1.00 0.00 C ATOM 144 OG SER A 6 104.818 4.779 -21.341 1.00 0.00 O ATOM 0 H SER A 6 102.694 2.577 -20.714 1.00 0.00 H new ATOM 0 HA SER A 6 105.697 2.451 -20.693 1.00 0.00 H new ATOM 0 HB2 SER A 6 103.450 4.358 -19.849 1.00 0.00 H new ATOM 0 HB3 SER A 6 105.093 4.618 -19.298 1.00 0.00 H new ATOM 0 HG SER A 6 104.647 5.743 -21.291 1.00 0.00 H new ATOM 150 N ASP A 7 105.987 1.480 -18.455 1.00 0.00 N ATOM 151 CA ASP A 7 106.152 0.877 -17.100 1.00 0.00 C ATOM 152 C ASP A 7 107.337 1.523 -16.375 1.00 0.00 C ATOM 153 O ASP A 7 108.051 2.333 -16.933 1.00 0.00 O ATOM 154 CB ASP A 7 106.419 -0.606 -17.354 1.00 0.00 C ATOM 155 CG ASP A 7 105.111 -1.297 -17.744 1.00 0.00 C ATOM 156 OD1 ASP A 7 104.090 -0.953 -17.172 1.00 0.00 O ATOM 157 OD2 ASP A 7 105.153 -2.158 -18.608 1.00 0.00 O ATOM 0 H ASP A 7 106.794 1.388 -19.072 1.00 0.00 H new ATOM 0 HA ASP A 7 105.275 1.029 -16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 7 107.156 -0.723 -18.148 1.00 0.00 H new ATOM 0 HB3 ASP A 7 106.836 -1.070 -16.460 1.00 0.00 H new ATOM 162 N ALA A 8 107.547 1.171 -15.132 1.00 0.00 N ATOM 163 CA ALA A 8 108.682 1.762 -14.357 1.00 0.00 C ATOM 164 C ALA A 8 108.556 3.289 -14.300 1.00 0.00 C ATOM 165 O ALA A 8 109.515 3.989 -14.033 1.00 0.00 O ATOM 166 CB ALA A 8 109.949 1.356 -15.114 1.00 0.00 C ATOM 0 H ALA A 8 106.979 0.497 -14.618 1.00 0.00 H new ATOM 0 HA ALA A 8 108.696 1.407 -13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 8 110.823 1.756 -14.601 1.00 0.00 H new ATOM 0 HB2 ALA A 8 110.017 0.269 -15.153 1.00 0.00 H new ATOM 0 HB3 ALA A 8 109.910 1.753 -16.128 1.00 0.00 H new ATOM 172 N GLY A 9 107.381 3.809 -14.539 1.00 0.00 N ATOM 173 CA GLY A 9 107.192 5.287 -14.489 1.00 0.00 C ATOM 174 C GLY A 9 107.125 5.745 -13.030 1.00 0.00 C ATOM 175 O GLY A 9 107.288 6.911 -12.727 1.00 0.00 O ATOM 0 H GLY A 9 106.544 3.273 -14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.015 5.787 -15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 9 106.276 5.565 -15.011 1.00 0.00 H new ATOM 179 N LEU A 10 106.885 4.833 -12.123 1.00 0.00 N ATOM 180 CA LEU A 10 106.809 5.211 -10.683 1.00 0.00 C ATOM 181 C LEU A 10 108.219 5.375 -10.115 1.00 0.00 C ATOM 182 O LEU A 10 108.507 6.317 -9.403 1.00 0.00 O ATOM 183 CB LEU A 10 106.091 4.044 -9.999 1.00 0.00 C ATOM 184 CG LEU A 10 104.760 3.769 -10.703 1.00 0.00 C ATOM 185 CD1 LEU A 10 104.103 2.535 -10.085 1.00 0.00 C ATOM 186 CD2 LEU A 10 103.836 4.977 -10.535 1.00 0.00 C ATOM 0 H LEU A 10 106.739 3.843 -12.319 1.00 0.00 H new ATOM 0 HA LEU A 10 106.285 6.154 -10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 10 106.718 3.153 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 10 105.916 4.278 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 10 104.939 3.593 -11.764 1.00 0.00 H new ATOM 0 HD11 LEU A 10 103.155 2.338 -10.586 1.00 0.00 H new ATOM 0 HD12 LEU A 10 104.761 1.674 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 10 103.923 2.711 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 10 102.888 4.782 -11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 10 103.657 5.153 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 10 104.305 5.857 -10.975 1.00 0.00 H new ATOM 198 N ALA A 11 109.100 4.463 -10.430 1.00 0.00 N ATOM 199 CA ALA A 11 110.496 4.560 -9.915 1.00 0.00 C ATOM 200 C ALA A 11 111.162 5.834 -10.440 1.00 0.00 C ATOM 201 O ALA A 11 111.810 6.553 -9.706 1.00 0.00 O ATOM 202 CB ALA A 11 111.209 3.320 -10.457 1.00 0.00 C ATOM 0 H ALA A 11 108.912 3.654 -11.023 1.00 0.00 H new ATOM 0 HA ALA A 11 110.532 4.605 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 11 112.246 3.320 -10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 11 110.708 2.423 -10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 11 111.182 3.332 -11.547 1.00 0.00 H new ATOM 208 N THR A 12 111.006 6.120 -11.708 1.00 0.00 N ATOM 209 CA THR A 12 111.630 7.353 -12.278 1.00 0.00 C ATOM 210 C THR A 12 111.145 8.586 -11.511 1.00 0.00 C ATOM 211 O THR A 12 111.933 9.354 -10.992 1.00 0.00 O ATOM 212 CB THR A 12 111.162 7.408 -13.735 1.00 0.00 C ATOM 213 OG1 THR A 12 109.740 7.398 -13.779 1.00 0.00 O ATOM 214 CG2 THR A 12 111.711 6.201 -14.499 1.00 0.00 C ATOM 0 H THR A 12 110.475 5.555 -12.371 1.00 0.00 H new ATOM 0 HA THR A 12 112.717 7.336 -12.206 1.00 0.00 H new ATOM 0 HB THR A 12 111.531 8.323 -14.199 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.441 7.435 -14.712 1.00 0.00 H new ATOM 0 HG21 THR A 12 111.376 6.243 -15.535 1.00 0.00 H new ATOM 0 HG22 THR A 12 112.800 6.216 -14.469 1.00 0.00 H new ATOM 0 HG23 THR A 12 111.348 5.283 -14.038 1.00 0.00 H new ATOM 222 N ALA A 13 109.856 8.778 -11.430 1.00 0.00 N ATOM 223 CA ALA A 13 109.321 9.958 -10.690 1.00 0.00 C ATOM 224 C ALA A 13 109.625 9.818 -9.197 1.00 0.00 C ATOM 225 O ALA A 13 109.830 10.794 -8.501 1.00 0.00 O ATOM 226 CB ALA A 13 107.812 9.935 -10.935 1.00 0.00 C ATOM 0 H ALA A 13 109.150 8.169 -11.844 1.00 0.00 H new ATOM 0 HA ALA A 13 109.769 10.894 -11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 13 107.347 10.776 -10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 13 107.616 10.011 -12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.396 9.002 -10.555 1.00 0.00 H new ATOM 232 N ALA A 14 109.657 8.610 -8.701 1.00 0.00 N ATOM 233 CA ALA A 14 109.951 8.402 -7.253 1.00 0.00 C ATOM 234 C ALA A 14 111.381 8.848 -6.936 1.00 0.00 C ATOM 235 O ALA A 14 111.615 9.597 -6.007 1.00 0.00 O ATOM 236 CB ALA A 14 109.796 6.897 -7.026 1.00 0.00 C ATOM 0 H ALA A 14 109.492 7.758 -9.236 1.00 0.00 H new ATOM 0 HA ALA A 14 109.287 8.980 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.997 6.664 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.779 6.594 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 14 110.501 6.359 -7.660 1.00 0.00 H new ATOM 242 N ALA A 15 112.339 8.396 -7.704 1.00 0.00 N ATOM 243 CA ALA A 15 113.754 8.797 -7.448 1.00 0.00 C ATOM 244 C ALA A 15 113.919 10.307 -7.648 1.00 0.00 C ATOM 245 O ALA A 15 114.817 10.920 -7.103 1.00 0.00 O ATOM 246 CB ALA A 15 114.582 8.025 -8.478 1.00 0.00 C ATOM 0 H ALA A 15 112.202 7.768 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 15 114.067 8.575 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.637 8.268 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.437 6.954 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 15 114.263 8.302 -9.483 1.00 0.00 H new ATOM 252 N ARG A 16 113.059 10.911 -8.425 1.00 0.00 N ATOM 253 CA ARG A 16 113.165 12.381 -8.660 1.00 0.00 C ATOM 254 C ARG A 16 112.322 13.154 -7.638 1.00 0.00 C ATOM 255 O ARG A 16 112.220 14.365 -7.698 1.00 0.00 O ATOM 256 CB ARG A 16 112.613 12.594 -10.070 1.00 0.00 C ATOM 257 CG ARG A 16 113.648 12.138 -11.100 1.00 0.00 C ATOM 258 CD ARG A 16 113.507 12.982 -12.368 1.00 0.00 C ATOM 259 NE ARG A 16 114.226 12.214 -13.423 1.00 0.00 N ATOM 260 CZ ARG A 16 113.647 11.978 -14.569 1.00 0.00 C ATOM 261 NH1 ARG A 16 112.950 12.914 -15.153 1.00 0.00 N ATOM 262 NH2 ARG A 16 113.764 10.805 -15.129 1.00 0.00 N ATOM 0 H ARG A 16 112.288 10.450 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 16 114.190 12.738 -8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 16 111.687 12.034 -10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 16 112.372 13.646 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 16 114.653 12.240 -10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 16 113.505 11.083 -11.334 1.00 0.00 H new ATOM 0 HD2 ARG A 16 112.459 13.128 -12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 16 113.943 13.972 -12.234 1.00 0.00 H new ATOM 0 HE ARG A 16 115.171 11.872 -13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 16 112.858 13.830 -14.714 1.00 0.00 H new ATOM 0 HH12 ARG A 16 112.498 12.730 -16.048 1.00 0.00 H new ATOM 0 HH21 ARG A 16 114.308 10.073 -14.671 1.00 0.00 H new ATOM 0 HH22 ARG A 16 113.312 10.620 -16.024 1.00 0.00 H new ATOM 276 N GLY A 17 111.715 12.469 -6.704 1.00 0.00 N ATOM 277 CA GLY A 17 110.881 13.171 -5.686 1.00 0.00 C ATOM 278 C GLY A 17 109.645 13.765 -6.363 1.00 0.00 C ATOM 279 O GLY A 17 109.289 14.905 -6.134 1.00 0.00 O ATOM 0 H GLY A 17 111.761 11.455 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 17 110.581 12.475 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 17 111.461 13.960 -5.206 1.00 0.00 H new ATOM 283 N GLN A 18 108.987 13.001 -7.195 1.00 0.00 N ATOM 284 CA GLN A 18 107.772 13.520 -7.888 1.00 0.00 C ATOM 285 C GLN A 18 106.519 12.811 -7.363 1.00 0.00 C ATOM 286 O GLN A 18 105.862 12.081 -8.080 1.00 0.00 O ATOM 287 CB GLN A 18 107.987 13.195 -9.367 1.00 0.00 C ATOM 288 CG GLN A 18 108.960 14.205 -9.980 1.00 0.00 C ATOM 289 CD GLN A 18 108.774 14.233 -11.499 1.00 0.00 C ATOM 290 OE1 GLN A 18 107.714 14.572 -11.986 1.00 0.00 O ATOM 291 NE2 GLN A 18 109.766 13.886 -12.272 1.00 0.00 N ATOM 0 H GLN A 18 109.239 12.040 -7.424 1.00 0.00 H new ATOM 0 HA GLN A 18 107.629 14.588 -7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.381 12.184 -9.474 1.00 0.00 H new ATOM 0 HB3 GLN A 18 107.035 13.224 -9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 18 108.783 15.196 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 18 109.986 13.934 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 18 110.656 13.601 -11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 18 109.652 13.899 -13.285 1.00 0.00 H new ATOM 300 N VAL A 19 106.183 13.022 -6.117 1.00 0.00 N ATOM 301 CA VAL A 19 104.969 12.362 -5.541 1.00 0.00 C ATOM 302 C VAL A 19 103.749 12.628 -6.435 1.00 0.00 C ATOM 303 O VAL A 19 102.876 11.795 -6.571 1.00 0.00 O ATOM 304 CB VAL A 19 104.791 13.012 -4.158 1.00 0.00 C ATOM 305 CG1 VAL A 19 103.373 12.767 -3.630 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.801 12.406 -3.181 1.00 0.00 C ATOM 0 H VAL A 19 106.696 13.623 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 19 105.073 11.279 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 19 104.955 14.086 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 19 103.264 13.233 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.648 13.198 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 19 103.197 11.695 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 19 105.678 12.864 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.633 11.332 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 19 106.813 12.590 -3.543 1.00 0.00 H new ATOM 316 N GLU A 20 103.684 13.786 -7.035 1.00 0.00 N ATOM 317 CA GLU A 20 102.519 14.114 -7.911 1.00 0.00 C ATOM 318 C GLU A 20 102.489 13.206 -9.145 1.00 0.00 C ATOM 319 O GLU A 20 101.496 12.562 -9.427 1.00 0.00 O ATOM 320 CB GLU A 20 102.736 15.570 -8.328 1.00 0.00 C ATOM 321 CG GLU A 20 102.736 16.462 -7.086 1.00 0.00 C ATOM 322 CD GLU A 20 102.320 17.882 -7.475 1.00 0.00 C ATOM 323 OE1 GLU A 20 102.691 18.313 -8.555 1.00 0.00 O ATOM 324 OE2 GLU A 20 101.635 18.515 -6.689 1.00 0.00 O ATOM 0 H GLU A 20 104.387 14.521 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 20 101.571 13.967 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 20 103.682 15.670 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 20 101.949 15.884 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 20 102.050 16.063 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 20 103.728 16.474 -6.634 1.00 0.00 H new ATOM 331 N THR A 21 103.561 13.160 -9.891 1.00 0.00 N ATOM 332 CA THR A 21 103.589 12.304 -11.117 1.00 0.00 C ATOM 333 C THR A 21 103.289 10.842 -10.771 1.00 0.00 C ATOM 334 O THR A 21 102.671 10.130 -11.538 1.00 0.00 O ATOM 335 CB THR A 21 105.008 12.442 -11.667 1.00 0.00 C ATOM 336 OG1 THR A 21 105.362 13.818 -11.718 1.00 0.00 O ATOM 337 CG2 THR A 21 105.069 11.847 -13.075 1.00 0.00 C ATOM 0 H THR A 21 104.420 13.678 -9.706 1.00 0.00 H new ATOM 0 HA THR A 21 102.835 12.612 -11.841 1.00 0.00 H new ATOM 0 HB THR A 21 105.704 11.910 -11.018 1.00 0.00 H new ATOM 0 HG1 THR A 21 106.264 13.910 -12.089 1.00 0.00 H new ATOM 0 HG21 THR A 21 106.081 11.945 -13.468 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.795 10.793 -13.037 1.00 0.00 H new ATOM 0 HG23 THR A 21 104.374 12.379 -13.725 1.00 0.00 H new ATOM 345 N VAL A 22 103.727 10.387 -9.627 1.00 0.00 N ATOM 346 CA VAL A 22 103.469 8.968 -9.242 1.00 0.00 C ATOM 347 C VAL A 22 102.001 8.779 -8.852 1.00 0.00 C ATOM 348 O VAL A 22 101.456 7.700 -8.967 1.00 0.00 O ATOM 349 CB VAL A 22 104.384 8.704 -8.042 1.00 0.00 C ATOM 350 CG1 VAL A 22 104.205 7.257 -7.565 1.00 0.00 C ATOM 351 CG2 VAL A 22 105.841 8.927 -8.455 1.00 0.00 C ATOM 0 H VAL A 22 104.251 10.935 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 22 103.668 8.279 -10.063 1.00 0.00 H new ATOM 0 HB VAL A 22 104.124 9.386 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 22 104.857 7.072 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 22 103.168 7.097 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 22 104.463 6.573 -8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 22 106.494 8.740 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 22 106.098 8.245 -9.265 1.00 0.00 H new ATOM 0 HG23 VAL A 22 105.970 9.956 -8.792 1.00 0.00 H new ATOM 361 N ARG A 23 101.357 9.816 -8.390 1.00 0.00 N ATOM 362 CA ARG A 23 99.922 9.686 -7.991 1.00 0.00 C ATOM 363 C ARG A 23 99.043 9.454 -9.222 1.00 0.00 C ATOM 364 O ARG A 23 98.175 8.604 -9.223 1.00 0.00 O ATOM 365 CB ARG A 23 99.572 11.017 -7.325 1.00 0.00 C ATOM 366 CG ARG A 23 100.281 11.112 -5.974 1.00 0.00 C ATOM 367 CD ARG A 23 99.351 10.606 -4.870 1.00 0.00 C ATOM 368 NE ARG A 23 100.214 10.496 -3.660 1.00 0.00 N ATOM 369 CZ ARG A 23 99.787 9.851 -2.611 1.00 0.00 C ATOM 370 NH1 ARG A 23 98.566 10.029 -2.187 1.00 0.00 N ATOM 371 NH2 ARG A 23 100.582 9.028 -1.984 1.00 0.00 N ATOM 0 H ARG A 23 101.759 10.746 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 23 99.758 8.840 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 23 99.873 11.846 -7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 23 98.493 11.095 -7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 23 101.197 10.522 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 23 100.570 12.144 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 23 98.524 11.296 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 23 98.914 9.642 -5.132 1.00 0.00 H new ATOM 0 HE ARG A 23 101.139 10.926 -3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 23 97.945 10.673 -2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 23 98.232 9.524 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 23 101.537 8.890 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 23 100.249 8.523 -1.163 1.00 0.00 H new ATOM 385 N GLN A 24 99.255 10.212 -10.263 1.00 0.00 N ATOM 386 CA GLN A 24 98.425 10.051 -11.494 1.00 0.00 C ATOM 387 C GLN A 24 98.809 8.780 -12.262 1.00 0.00 C ATOM 388 O GLN A 24 97.985 7.920 -12.504 1.00 0.00 O ATOM 389 CB GLN A 24 98.733 11.292 -12.334 1.00 0.00 C ATOM 390 CG GLN A 24 97.621 11.502 -13.363 1.00 0.00 C ATOM 391 CD GLN A 24 97.789 10.499 -14.506 1.00 0.00 C ATOM 392 OE1 GLN A 24 98.873 10.327 -15.026 1.00 0.00 O ATOM 393 NE2 GLN A 24 96.752 9.824 -14.922 1.00 0.00 N ATOM 0 H GLN A 24 99.969 10.938 -10.316 1.00 0.00 H new ATOM 0 HA GLN A 24 97.365 9.956 -11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 24 98.817 12.168 -11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 24 99.692 11.174 -12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 24 96.646 11.374 -12.892 1.00 0.00 H new ATOM 0 HG3 GLN A 24 97.656 12.520 -13.750 1.00 0.00 H new ATOM 0 HE21 GLN A 24 95.841 9.968 -14.486 1.00 0.00 H new ATOM 0 HE22 GLN A 24 96.852 9.153 -15.683 1.00 0.00 H new ATOM 402 N LEU A 25 100.047 8.665 -12.664 1.00 0.00 N ATOM 403 CA LEU A 25 100.480 7.460 -13.439 1.00 0.00 C ATOM 404 C LEU A 25 100.160 6.164 -12.681 1.00 0.00 C ATOM 405 O LEU A 25 99.538 5.266 -13.213 1.00 0.00 O ATOM 406 CB LEU A 25 101.993 7.619 -13.610 1.00 0.00 C ATOM 407 CG LEU A 25 102.397 7.204 -15.028 1.00 0.00 C ATOM 408 CD1 LEU A 25 103.887 7.478 -15.236 1.00 0.00 C ATOM 409 CD2 LEU A 25 102.124 5.711 -15.222 1.00 0.00 C ATOM 0 H LEU A 25 100.780 9.353 -12.490 1.00 0.00 H new ATOM 0 HA LEU A 25 99.959 7.391 -14.394 1.00 0.00 H new ATOM 0 HB2 LEU A 25 102.283 8.654 -13.427 1.00 0.00 H new ATOM 0 HB3 LEU A 25 102.518 7.006 -12.877 1.00 0.00 H new ATOM 0 HG LEU A 25 101.817 7.777 -15.751 1.00 0.00 H new ATOM 0 HD11 LEU A 25 104.174 7.182 -16.245 1.00 0.00 H new ATOM 0 HD12 LEU A 25 104.084 8.541 -15.099 1.00 0.00 H new ATOM 0 HD13 LEU A 25 104.467 6.906 -14.512 1.00 0.00 H new ATOM 0 HD21 LEU A 25 102.412 5.417 -16.231 1.00 0.00 H new ATOM 0 HD22 LEU A 25 102.703 5.138 -14.498 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.062 5.513 -15.075 1.00 0.00 H new ATOM 421 N LEU A 26 100.595 6.050 -11.454 1.00 0.00 N ATOM 422 CA LEU A 26 100.329 4.798 -10.678 1.00 0.00 C ATOM 423 C LEU A 26 98.835 4.448 -10.687 1.00 0.00 C ATOM 424 O LEU A 26 98.441 3.401 -11.162 1.00 0.00 O ATOM 425 CB LEU A 26 100.806 5.102 -9.253 1.00 0.00 C ATOM 426 CG LEU A 26 100.819 3.830 -8.379 1.00 0.00 C ATOM 427 CD1 LEU A 26 100.846 2.559 -9.238 1.00 0.00 C ATOM 428 CD2 LEU A 26 102.063 3.851 -7.489 1.00 0.00 C ATOM 0 H LEU A 26 101.122 6.766 -10.955 1.00 0.00 H new ATOM 0 HA LEU A 26 100.845 3.940 -11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 26 101.807 5.532 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 26 100.153 5.849 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 26 99.910 3.820 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 26 100.855 1.682 -8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 26 99.962 2.531 -9.875 1.00 0.00 H new ATOM 0 HD13 LEU A 26 101.741 2.559 -9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 26 102.081 2.956 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 26 102.956 3.877 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 26 102.039 4.735 -6.851 1.00 0.00 H new ATOM 440 N GLU A 27 98.003 5.306 -10.160 1.00 0.00 N ATOM 441 CA GLU A 27 96.541 5.004 -10.138 1.00 0.00 C ATOM 442 C GLU A 27 95.976 4.955 -11.564 1.00 0.00 C ATOM 443 O GLU A 27 94.870 4.503 -11.785 1.00 0.00 O ATOM 444 CB GLU A 27 95.907 6.147 -9.334 1.00 0.00 C ATOM 445 CG GLU A 27 95.856 7.420 -10.182 1.00 0.00 C ATOM 446 CD GLU A 27 95.447 8.605 -9.304 1.00 0.00 C ATOM 447 OE1 GLU A 27 94.652 8.401 -8.401 1.00 0.00 O ATOM 448 OE2 GLU A 27 95.936 9.696 -9.549 1.00 0.00 O ATOM 0 H GLU A 27 98.270 6.199 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 27 96.331 4.032 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 94.901 5.868 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.484 6.328 -8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 27 96.830 7.608 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 27 95.145 7.297 -10.999 1.00 0.00 H new ATOM 455 N ALA A 28 96.722 5.422 -12.533 1.00 0.00 N ATOM 456 CA ALA A 28 96.217 5.403 -13.936 1.00 0.00 C ATOM 457 C ALA A 28 96.457 4.033 -14.581 1.00 0.00 C ATOM 458 O ALA A 28 95.743 3.631 -15.478 1.00 0.00 O ATOM 459 CB ALA A 28 97.014 6.487 -14.661 1.00 0.00 C ATOM 0 H ALA A 28 97.656 5.814 -12.412 1.00 0.00 H new ATOM 0 HA ALA A 28 95.143 5.584 -13.984 1.00 0.00 H new ATOM 0 HB1 ALA A 28 96.699 6.535 -15.703 1.00 0.00 H new ATOM 0 HB2 ALA A 28 96.836 7.450 -14.183 1.00 0.00 H new ATOM 0 HB3 ALA A 28 98.077 6.250 -14.614 1.00 0.00 H new ATOM 465 N GLY A 29 97.453 3.308 -14.135 1.00 0.00 N ATOM 466 CA GLY A 29 97.716 1.973 -14.733 1.00 0.00 C ATOM 467 C GLY A 29 99.192 1.573 -14.580 1.00 0.00 C ATOM 468 O GLY A 29 99.565 0.459 -14.892 1.00 0.00 O ATOM 0 H GLY A 29 98.089 3.585 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 29 97.083 1.226 -14.253 1.00 0.00 H new ATOM 0 HA3 GLY A 29 97.448 1.986 -15.790 1.00 0.00 H new ATOM 472 N ALA A 30 100.038 2.459 -14.115 1.00 0.00 N ATOM 473 CA ALA A 30 101.485 2.105 -13.961 1.00 0.00 C ATOM 474 C ALA A 30 101.644 0.792 -13.185 1.00 0.00 C ATOM 475 O ALA A 30 100.911 0.516 -12.255 1.00 0.00 O ATOM 476 CB ALA A 30 102.104 3.264 -13.178 1.00 0.00 C ATOM 0 H ALA A 30 99.791 3.409 -13.836 1.00 0.00 H new ATOM 0 HA ALA A 30 101.968 1.959 -14.927 1.00 0.00 H new ATOM 0 HB1 ALA A 30 103.167 3.074 -13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 30 101.977 4.190 -13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.610 3.354 -12.211 1.00 0.00 H new ATOM 482 N ASP A 31 102.598 -0.017 -13.565 1.00 0.00 N ATOM 483 CA ASP A 31 102.811 -1.314 -12.857 1.00 0.00 C ATOM 484 C ASP A 31 103.433 -1.068 -11.475 1.00 0.00 C ATOM 485 O ASP A 31 104.462 -0.431 -11.369 1.00 0.00 O ATOM 486 CB ASP A 31 103.777 -2.096 -13.747 1.00 0.00 C ATOM 487 CG ASP A 31 104.000 -3.491 -13.161 1.00 0.00 C ATOM 488 OD1 ASP A 31 103.019 -4.129 -12.813 1.00 0.00 O ATOM 489 OD2 ASP A 31 105.146 -3.898 -13.068 1.00 0.00 O ATOM 0 H ASP A 31 103.240 0.165 -14.336 1.00 0.00 H new ATOM 0 HA ASP A 31 101.878 -1.854 -12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 31 103.374 -2.175 -14.757 1.00 0.00 H new ATOM 0 HB3 ASP A 31 104.727 -1.567 -13.823 1.00 0.00 H new ATOM 494 N PRO A 32 102.790 -1.581 -10.455 1.00 0.00 N ATOM 495 CA PRO A 32 103.301 -1.406 -9.072 1.00 0.00 C ATOM 496 C PRO A 32 104.544 -2.270 -8.839 1.00 0.00 C ATOM 497 O PRO A 32 105.329 -2.014 -7.947 1.00 0.00 O ATOM 498 CB PRO A 32 102.142 -1.878 -8.199 1.00 0.00 C ATOM 499 CG PRO A 32 101.366 -2.820 -9.061 1.00 0.00 C ATOM 500 CD PRO A 32 101.544 -2.363 -10.484 1.00 0.00 C ATOM 0 HA PRO A 32 103.603 -0.381 -8.858 1.00 0.00 H new ATOM 0 HB2 PRO A 32 102.503 -2.374 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 32 101.525 -1.040 -7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 32 101.725 -3.842 -8.936 1.00 0.00 H new ATOM 0 HG3 PRO A 32 100.312 -2.817 -8.784 1.00 0.00 H new ATOM 0 HD2 PRO A 32 101.619 -3.208 -11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 32 100.701 -1.758 -10.817 1.00 0.00 H new ATOM 508 N ASN A 33 104.730 -3.293 -9.632 1.00 0.00 N ATOM 509 CA ASN A 33 105.923 -4.173 -9.451 1.00 0.00 C ATOM 510 C ASN A 33 106.913 -3.968 -10.602 1.00 0.00 C ATOM 511 O ASN A 33 107.682 -4.850 -10.934 1.00 0.00 O ATOM 512 CB ASN A 33 105.369 -5.601 -9.467 1.00 0.00 C ATOM 513 CG ASN A 33 105.420 -6.189 -8.054 1.00 0.00 C ATOM 514 OD1 ASN A 33 105.750 -7.345 -7.878 1.00 0.00 O ATOM 515 ND2 ASN A 33 105.104 -5.438 -7.034 1.00 0.00 N ATOM 0 H ASN A 33 104.108 -3.557 -10.396 1.00 0.00 H new ATOM 0 HA ASN A 33 106.460 -3.954 -8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 33 104.343 -5.599 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.951 -6.220 -10.150 1.00 0.00 H new ATOM 0 HD21 ASN A 33 105.134 -5.822 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.827 -4.468 -7.182 1.00 0.00 H new ATOM 522 N ALA A 34 106.901 -2.812 -11.212 1.00 0.00 N ATOM 523 CA ALA A 34 107.843 -2.553 -12.341 1.00 0.00 C ATOM 524 C ALA A 34 109.265 -2.361 -11.808 1.00 0.00 C ATOM 525 O ALA A 34 109.483 -1.663 -10.836 1.00 0.00 O ATOM 526 CB ALA A 34 107.339 -1.266 -12.994 1.00 0.00 C ATOM 0 H ALA A 34 106.281 -2.037 -10.978 1.00 0.00 H new ATOM 0 HA ALA A 34 107.876 -3.382 -13.048 1.00 0.00 H new ATOM 0 HB1 ALA A 34 107.982 -1.009 -13.836 1.00 0.00 H new ATOM 0 HB2 ALA A 34 106.319 -1.413 -13.349 1.00 0.00 H new ATOM 0 HB3 ALA A 34 107.356 -0.457 -12.264 1.00 0.00 H new ATOM 532 N LEU A 35 110.233 -2.974 -12.436 1.00 0.00 N ATOM 533 CA LEU A 35 111.640 -2.825 -11.966 1.00 0.00 C ATOM 534 C LEU A 35 112.258 -1.550 -12.547 1.00 0.00 C ATOM 535 O LEU A 35 111.691 -0.915 -13.414 1.00 0.00 O ATOM 536 CB LEU A 35 112.371 -4.060 -12.495 1.00 0.00 C ATOM 537 CG LEU A 35 111.745 -5.322 -11.899 1.00 0.00 C ATOM 538 CD1 LEU A 35 112.375 -6.557 -12.544 1.00 0.00 C ATOM 539 CD2 LEU A 35 111.998 -5.352 -10.390 1.00 0.00 C ATOM 0 H LEU A 35 110.110 -3.571 -13.254 1.00 0.00 H new ATOM 0 HA LEU A 35 111.705 -2.747 -10.881 1.00 0.00 H new ATOM 0 HB2 LEU A 35 112.312 -4.092 -13.583 1.00 0.00 H new ATOM 0 HB3 LEU A 35 113.428 -4.009 -12.235 1.00 0.00 H new ATOM 0 HG LEU A 35 110.672 -5.320 -12.089 1.00 0.00 H new ATOM 0 HD11 LEU A 35 111.929 -7.457 -12.120 1.00 0.00 H new ATOM 0 HD12 LEU A 35 112.197 -6.537 -13.619 1.00 0.00 H new ATOM 0 HD13 LEU A 35 113.448 -6.559 -12.354 1.00 0.00 H new ATOM 0 HD21 LEU A 35 111.552 -6.251 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 35 113.071 -5.355 -10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 35 111.551 -4.472 -9.929 1.00 0.00 H new ATOM 551 N ASN A 36 113.416 -1.174 -12.075 1.00 0.00 N ATOM 552 CA ASN A 36 114.071 0.061 -12.600 1.00 0.00 C ATOM 553 C ASN A 36 115.261 -0.310 -13.490 1.00 0.00 C ATOM 554 O ASN A 36 115.440 -1.454 -13.859 1.00 0.00 O ATOM 555 CB ASN A 36 114.545 0.818 -11.359 1.00 0.00 C ATOM 556 CG ASN A 36 114.522 2.322 -11.638 1.00 0.00 C ATOM 557 OD1 ASN A 36 115.492 3.011 -11.397 1.00 0.00 O ATOM 558 ND2 ASN A 36 113.447 2.864 -12.143 1.00 0.00 N ATOM 0 H ASN A 36 113.937 -1.667 -11.350 1.00 0.00 H new ATOM 0 HA ASN A 36 113.394 0.661 -13.208 1.00 0.00 H new ATOM 0 HB2 ASN A 36 113.902 0.585 -10.510 1.00 0.00 H new ATOM 0 HB3 ASN A 36 115.553 0.503 -11.091 1.00 0.00 H new ATOM 0 HD21 ASN A 36 113.423 3.866 -12.335 1.00 0.00 H new ATOM 0 HD22 ASN A 36 112.631 2.286 -12.346 1.00 0.00 H new ATOM 565 N ARG A 37 116.074 0.652 -13.837 1.00 0.00 N ATOM 566 CA ARG A 37 117.254 0.362 -14.703 1.00 0.00 C ATOM 567 C ARG A 37 118.374 -0.277 -13.877 1.00 0.00 C ATOM 568 O ARG A 37 119.227 -0.966 -14.402 1.00 0.00 O ATOM 569 CB ARG A 37 117.693 1.724 -15.241 1.00 0.00 C ATOM 570 CG ARG A 37 118.532 1.528 -16.505 1.00 0.00 C ATOM 571 CD ARG A 37 118.276 2.684 -17.474 1.00 0.00 C ATOM 572 NE ARG A 37 118.561 2.125 -18.825 1.00 0.00 N ATOM 573 CZ ARG A 37 118.684 2.923 -19.849 1.00 0.00 C ATOM 574 NH1 ARG A 37 117.813 3.875 -20.042 1.00 0.00 N ATOM 575 NH2 ARG A 37 119.678 2.770 -20.681 1.00 0.00 N ATOM 0 H ARG A 37 115.972 1.628 -13.558 1.00 0.00 H new ATOM 0 HA ARG A 37 117.016 -0.336 -15.506 1.00 0.00 H new ATOM 0 HB2 ARG A 37 116.820 2.338 -15.463 1.00 0.00 H new ATOM 0 HB3 ARG A 37 118.272 2.255 -14.486 1.00 0.00 H new ATOM 0 HG2 ARG A 37 119.590 1.483 -16.248 1.00 0.00 H new ATOM 0 HG3 ARG A 37 118.278 0.580 -16.979 1.00 0.00 H new ATOM 0 HD2 ARG A 37 117.248 3.039 -17.402 1.00 0.00 H new ATOM 0 HD3 ARG A 37 118.922 3.534 -17.254 1.00 0.00 H new ATOM 0 HE ARG A 37 118.660 1.117 -18.949 1.00 0.00 H new ATOM 0 HH11 ARG A 37 117.036 3.995 -19.392 1.00 0.00 H new ATOM 0 HH12 ARG A 37 117.909 4.499 -20.843 1.00 0.00 H new ATOM 0 HH21 ARG A 37 120.359 2.026 -20.530 1.00 0.00 H new ATOM 0 HH22 ARG A 37 119.774 3.395 -21.482 1.00 0.00 H new ATOM 589 N PHE A 38 118.378 -0.055 -12.590 1.00 0.00 N ATOM 590 CA PHE A 38 119.443 -0.651 -11.731 1.00 0.00 C ATOM 591 C PHE A 38 118.942 -1.953 -11.099 1.00 0.00 C ATOM 592 O PHE A 38 119.409 -2.364 -10.055 1.00 0.00 O ATOM 593 CB PHE A 38 119.714 0.394 -10.645 1.00 0.00 C ATOM 594 CG PHE A 38 120.077 1.715 -11.282 1.00 0.00 C ATOM 595 CD1 PHE A 38 121.115 1.779 -12.220 1.00 0.00 C ATOM 596 CD2 PHE A 38 119.376 2.875 -10.933 1.00 0.00 C ATOM 597 CE1 PHE A 38 121.451 3.002 -12.810 1.00 0.00 C ATOM 598 CE2 PHE A 38 119.713 4.100 -11.523 1.00 0.00 C ATOM 599 CZ PHE A 38 120.750 4.163 -12.462 1.00 0.00 C ATOM 0 H PHE A 38 117.690 0.513 -12.096 1.00 0.00 H new ATOM 0 HA PHE A 38 120.341 -0.892 -12.299 1.00 0.00 H new ATOM 0 HB2 PHE A 38 118.832 0.514 -10.015 1.00 0.00 H new ATOM 0 HB3 PHE A 38 120.524 0.057 -9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 38 121.656 0.884 -12.488 1.00 0.00 H new ATOM 0 HD2 PHE A 38 118.576 2.826 -10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 38 122.251 3.051 -13.534 1.00 0.00 H new ATOM 0 HE2 PHE A 38 119.173 4.996 -11.254 1.00 0.00 H new ATOM 0 HZ PHE A 38 121.009 5.107 -12.918 1.00 0.00 H new ATOM 609 N GLY A 39 117.994 -2.604 -11.723 1.00 0.00 N ATOM 610 CA GLY A 39 117.459 -3.874 -11.161 1.00 0.00 C ATOM 611 C GLY A 39 117.038 -3.652 -9.706 1.00 0.00 C ATOM 612 O GLY A 39 117.125 -4.540 -8.881 1.00 0.00 O ATOM 0 H GLY A 39 117.568 -2.307 -12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 39 116.607 -4.214 -11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 39 118.216 -4.656 -11.216 1.00 0.00 H new ATOM 616 N ARG A 40 116.586 -2.468 -9.388 1.00 0.00 N ATOM 617 CA ARG A 40 116.162 -2.177 -7.988 1.00 0.00 C ATOM 618 C ARG A 40 114.641 -2.306 -7.856 1.00 0.00 C ATOM 619 O ARG A 40 113.994 -2.983 -8.630 1.00 0.00 O ATOM 620 CB ARG A 40 116.603 -0.731 -7.733 1.00 0.00 C ATOM 621 CG ARG A 40 117.485 -0.676 -6.484 1.00 0.00 C ATOM 622 CD ARG A 40 117.708 0.783 -6.076 1.00 0.00 C ATOM 623 NE ARG A 40 119.154 1.044 -6.327 1.00 0.00 N ATOM 624 CZ ARG A 40 119.682 2.180 -5.961 1.00 0.00 C ATOM 625 NH1 ARG A 40 119.379 2.697 -4.802 1.00 0.00 N ATOM 626 NH2 ARG A 40 120.510 2.800 -6.757 1.00 0.00 N ATOM 0 H ARG A 40 116.492 -1.689 -10.039 1.00 0.00 H new ATOM 0 HA ARG A 40 116.602 -2.871 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 40 117.151 -0.350 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 40 115.730 -0.092 -7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 40 117.013 -1.224 -5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 40 118.442 -1.159 -6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 40 117.080 1.455 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 40 117.456 0.941 -5.027 1.00 0.00 H new ATOM 0 HE ARG A 40 119.729 0.336 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 40 118.729 2.213 -4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 40 119.792 3.585 -4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 40 120.744 2.397 -7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 40 120.923 3.688 -6.472 1.00 0.00 H new ATOM 640 N ARG A 41 114.072 -1.654 -6.879 1.00 0.00 N ATOM 641 CA ARG A 41 112.593 -1.724 -6.680 1.00 0.00 C ATOM 642 C ARG A 41 111.963 -0.367 -7.021 1.00 0.00 C ATOM 643 O ARG A 41 112.669 0.605 -7.209 1.00 0.00 O ATOM 644 CB ARG A 41 112.416 -2.036 -5.191 1.00 0.00 C ATOM 645 CG ARG A 41 113.109 -3.358 -4.850 1.00 0.00 C ATOM 646 CD ARG A 41 112.143 -4.521 -5.087 1.00 0.00 C ATOM 647 NE ARG A 41 113.018 -5.714 -5.266 1.00 0.00 N ATOM 648 CZ ARG A 41 113.362 -6.098 -6.465 1.00 0.00 C ATOM 649 NH1 ARG A 41 112.446 -6.334 -7.364 1.00 0.00 N ATOM 650 NH2 ARG A 41 114.623 -6.248 -6.764 1.00 0.00 N ATOM 0 H ARG A 41 114.570 -1.072 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 41 112.116 -2.472 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 41 112.835 -1.230 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 41 111.355 -2.098 -4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 41 114.001 -3.482 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 41 113.437 -3.351 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 41 111.466 -4.651 -4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 41 111.525 -4.348 -5.968 1.00 0.00 H new ATOM 0 HE ARG A 41 113.348 -6.231 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 41 111.460 -6.218 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 41 112.716 -6.634 -8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 41 115.339 -6.065 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 41 114.893 -6.548 -7.701 1.00 0.00 H new ATOM 664 N PRO A 42 110.655 -0.333 -7.083 1.00 0.00 N ATOM 665 CA PRO A 42 109.949 0.937 -7.395 1.00 0.00 C ATOM 666 C PRO A 42 110.115 1.936 -6.243 1.00 0.00 C ATOM 667 O PRO A 42 109.984 3.131 -6.424 1.00 0.00 O ATOM 668 CB PRO A 42 108.492 0.511 -7.556 1.00 0.00 C ATOM 669 CG PRO A 42 108.377 -0.756 -6.773 1.00 0.00 C ATOM 670 CD PRO A 42 109.713 -1.443 -6.875 1.00 0.00 C ATOM 0 HA PRO A 42 110.334 1.438 -8.283 1.00 0.00 H new ATOM 0 HB2 PRO A 42 107.812 1.274 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 42 108.240 0.353 -8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 42 108.126 -0.548 -5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.584 -1.388 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 42 109.946 -2.003 -5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.738 -2.151 -7.703 1.00 0.00 H new ATOM 678 N ILE A 43 110.414 1.457 -5.064 1.00 0.00 N ATOM 679 CA ILE A 43 110.600 2.379 -3.904 1.00 0.00 C ATOM 680 C ILE A 43 112.086 2.459 -3.541 1.00 0.00 C ATOM 681 O ILE A 43 112.619 3.523 -3.301 1.00 0.00 O ATOM 682 CB ILE A 43 109.794 1.756 -2.762 1.00 0.00 C ATOM 683 CG1 ILE A 43 108.303 1.799 -3.113 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.034 2.544 -1.470 1.00 0.00 C ATOM 685 CD1 ILE A 43 107.495 1.121 -2.005 1.00 0.00 C ATOM 0 H ILE A 43 110.538 0.467 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 43 110.267 3.394 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 43 110.109 0.723 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 43 107.977 2.832 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 43 108.128 1.296 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 43 109.458 2.097 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.094 2.518 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 43 109.720 3.578 -1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 43 106.435 1.153 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 43 107.814 0.083 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 43 107.660 1.643 -1.063 1.00 0.00 H new ATOM 697 N GLN A 44 112.762 1.341 -3.506 1.00 0.00 N ATOM 698 CA GLN A 44 114.217 1.352 -3.162 1.00 0.00 C ATOM 699 C GLN A 44 114.969 2.366 -4.037 1.00 0.00 C ATOM 700 O GLN A 44 116.033 2.834 -3.683 1.00 0.00 O ATOM 701 CB GLN A 44 114.702 -0.070 -3.448 1.00 0.00 C ATOM 702 CG GLN A 44 116.056 -0.300 -2.772 1.00 0.00 C ATOM 703 CD GLN A 44 116.338 -1.801 -2.700 1.00 0.00 C ATOM 704 OE1 GLN A 44 115.472 -2.578 -2.350 1.00 0.00 O ATOM 705 NE2 GLN A 44 117.521 -2.247 -3.022 1.00 0.00 N ATOM 0 H GLN A 44 112.370 0.419 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 44 114.392 1.643 -2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 44 113.974 -0.793 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 44 114.791 -0.225 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 44 116.845 0.203 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 44 116.052 0.129 -1.770 1.00 0.00 H new ATOM 0 HE21 GLN A 44 118.249 -1.596 -3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 44 117.718 -3.247 -2.980 1.00 0.00 H new ATOM 714 N VAL A 45 114.422 2.705 -5.177 1.00 0.00 N ATOM 715 CA VAL A 45 115.105 3.685 -6.072 1.00 0.00 C ATOM 716 C VAL A 45 114.406 5.049 -6.020 1.00 0.00 C ATOM 717 O VAL A 45 114.484 5.822 -6.953 1.00 0.00 O ATOM 718 CB VAL A 45 115.010 3.076 -7.476 1.00 0.00 C ATOM 719 CG1 VAL A 45 113.559 3.108 -7.968 1.00 0.00 C ATOM 720 CG2 VAL A 45 115.888 3.879 -8.438 1.00 0.00 C ATOM 0 H VAL A 45 113.533 2.346 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 45 116.139 3.859 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 45 115.351 2.041 -7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 45 113.504 2.673 -8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 45 112.931 2.534 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 45 113.209 4.140 -8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 45 115.822 3.448 -9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 45 115.545 4.913 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 45 116.923 3.849 -8.097 1.00 0.00 H new ATOM 730 N MET A 46 113.733 5.358 -4.940 1.00 0.00 N ATOM 731 CA MET A 46 113.048 6.682 -4.853 1.00 0.00 C ATOM 732 C MET A 46 113.944 7.686 -4.115 1.00 0.00 C ATOM 733 O MET A 46 114.912 7.317 -3.481 1.00 0.00 O ATOM 734 CB MET A 46 111.732 6.423 -4.096 1.00 0.00 C ATOM 735 CG MET A 46 111.986 6.204 -2.595 1.00 0.00 C ATOM 736 SD MET A 46 110.774 7.144 -1.631 1.00 0.00 S ATOM 737 CE MET A 46 110.330 5.828 -0.470 1.00 0.00 C ATOM 0 H MET A 46 113.629 4.757 -4.123 1.00 0.00 H new ATOM 0 HA MET A 46 112.846 7.112 -5.834 1.00 0.00 H new ATOM 0 HB2 MET A 46 111.058 7.269 -4.234 1.00 0.00 H new ATOM 0 HB3 MET A 46 111.235 5.548 -4.515 1.00 0.00 H new ATOM 0 HG2 MET A 46 111.914 5.143 -2.354 1.00 0.00 H new ATOM 0 HG3 MET A 46 112.996 6.521 -2.337 1.00 0.00 H new ATOM 0 HE1 MET A 46 110.318 6.226 0.544 1.00 0.00 H new ATOM 0 HE2 MET A 46 109.342 5.441 -0.719 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.062 5.023 -0.535 1.00 0.00 H new ATOM 747 N MET A 47 113.631 8.952 -4.200 1.00 0.00 N ATOM 748 CA MET A 47 114.468 9.979 -3.508 1.00 0.00 C ATOM 749 C MET A 47 114.473 9.742 -1.992 1.00 0.00 C ATOM 750 O MET A 47 115.267 10.314 -1.271 1.00 0.00 O ATOM 751 CB MET A 47 113.806 11.318 -3.839 1.00 0.00 C ATOM 752 CG MET A 47 114.817 12.450 -3.644 1.00 0.00 C ATOM 753 SD MET A 47 114.633 13.145 -1.982 1.00 0.00 S ATOM 754 CE MET A 47 113.051 13.979 -2.262 1.00 0.00 C ATOM 0 H MET A 47 112.833 9.320 -4.718 1.00 0.00 H new ATOM 0 HA MET A 47 115.508 9.944 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 47 113.444 11.312 -4.867 1.00 0.00 H new ATOM 0 HB3 MET A 47 112.939 11.476 -3.197 1.00 0.00 H new ATOM 0 HG2 MET A 47 115.831 12.074 -3.782 1.00 0.00 H new ATOM 0 HG3 MET A 47 114.660 13.226 -4.393 1.00 0.00 H new ATOM 0 HE1 MET A 47 113.018 14.901 -1.681 1.00 0.00 H new ATOM 0 HE2 MET A 47 112.946 14.214 -3.321 1.00 0.00 H new ATOM 0 HE3 MET A 47 112.235 13.326 -1.952 1.00 0.00 H new ATOM 764 N MET A 48 113.589 8.909 -1.503 1.00 0.00 N ATOM 765 CA MET A 48 113.530 8.632 -0.035 1.00 0.00 C ATOM 766 C MET A 48 113.369 9.939 0.747 1.00 0.00 C ATOM 767 O MET A 48 113.699 10.022 1.913 1.00 0.00 O ATOM 768 CB MET A 48 114.859 7.952 0.311 1.00 0.00 C ATOM 769 CG MET A 48 114.901 6.559 -0.322 1.00 0.00 C ATOM 770 SD MET A 48 113.666 5.496 0.470 1.00 0.00 S ATOM 771 CE MET A 48 113.689 4.160 -0.751 1.00 0.00 C ATOM 0 H MET A 48 112.901 8.405 -2.062 1.00 0.00 H new ATOM 0 HA MET A 48 112.680 8.001 0.225 1.00 0.00 H new ATOM 0 HB2 MET A 48 115.692 8.553 -0.052 1.00 0.00 H new ATOM 0 HB3 MET A 48 114.969 7.875 1.393 1.00 0.00 H new ATOM 0 HG2 MET A 48 114.704 6.628 -1.392 1.00 0.00 H new ATOM 0 HG3 MET A 48 115.895 6.126 -0.208 1.00 0.00 H new ATOM 0 HE1 MET A 48 112.666 3.889 -1.013 1.00 0.00 H new ATOM 0 HE2 MET A 48 114.216 4.493 -1.645 1.00 0.00 H new ATOM 0 HE3 MET A 48 114.198 3.292 -0.332 1.00 0.00 H new ATOM 781 N GLY A 49 112.854 10.956 0.110 1.00 0.00 N ATOM 782 CA GLY A 49 112.657 12.258 0.808 1.00 0.00 C ATOM 783 C GLY A 49 111.160 12.571 0.894 1.00 0.00 C ATOM 784 O GLY A 49 110.731 13.369 1.704 1.00 0.00 O ATOM 0 H GLY A 49 112.561 10.940 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.088 12.215 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.175 13.053 0.271 1.00 0.00 H new ATOM 788 N SER A 50 110.360 11.949 0.064 1.00 0.00 N ATOM 789 CA SER A 50 108.892 12.210 0.098 1.00 0.00 C ATOM 790 C SER A 50 108.131 10.927 0.446 1.00 0.00 C ATOM 791 O SER A 50 107.997 10.032 -0.366 1.00 0.00 O ATOM 792 CB SER A 50 108.542 12.674 -1.315 1.00 0.00 C ATOM 793 OG SER A 50 108.147 14.039 -1.276 1.00 0.00 O ATOM 0 H SER A 50 110.663 11.271 -0.636 1.00 0.00 H new ATOM 0 HA SER A 50 108.622 12.951 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 50 109.401 12.551 -1.974 1.00 0.00 H new ATOM 0 HB3 SER A 50 107.737 12.062 -1.722 1.00 0.00 H new ATOM 0 HG SER A 50 107.923 14.341 -2.181 1.00 0.00 H new ATOM 799 N ALA A 51 107.629 10.833 1.650 1.00 0.00 N ATOM 800 CA ALA A 51 106.872 9.611 2.057 1.00 0.00 C ATOM 801 C ALA A 51 105.659 9.399 1.144 1.00 0.00 C ATOM 802 O ALA A 51 105.152 8.301 1.023 1.00 0.00 O ATOM 803 CB ALA A 51 106.417 9.886 3.491 1.00 0.00 C ATOM 0 H ALA A 51 107.711 11.551 2.370 1.00 0.00 H new ATOM 0 HA ALA A 51 107.482 8.711 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 51 105.852 9.032 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 51 107.289 10.048 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 51 105.786 10.774 3.508 1.00 0.00 H new ATOM 809 N GLN A 52 105.189 10.439 0.501 1.00 0.00 N ATOM 810 CA GLN A 52 104.007 10.282 -0.401 1.00 0.00 C ATOM 811 C GLN A 52 104.328 9.309 -1.538 1.00 0.00 C ATOM 812 O GLN A 52 103.442 8.779 -2.179 1.00 0.00 O ATOM 813 CB GLN A 52 103.716 11.675 -0.953 1.00 0.00 C ATOM 814 CG GLN A 52 103.527 12.669 0.190 1.00 0.00 C ATOM 815 CD GLN A 52 102.078 13.163 0.222 1.00 0.00 C ATOM 816 OE1 GLN A 52 101.377 13.099 -0.770 1.00 0.00 O ATOM 817 NE2 GLN A 52 101.596 13.659 1.328 1.00 0.00 N ATOM 0 H GLN A 52 105.570 11.383 0.561 1.00 0.00 H new ATOM 0 HA GLN A 52 103.147 9.876 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 52 104.537 11.999 -1.593 1.00 0.00 H new ATOM 0 HB3 GLN A 52 102.820 11.648 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 52 103.779 12.196 1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 52 104.205 13.513 0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 52 102.183 13.713 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 52 100.633 13.992 1.360 1.00 0.00 H new ATOM 826 N VAL A 53 105.586 9.061 -1.787 1.00 0.00 N ATOM 827 CA VAL A 53 105.960 8.113 -2.874 1.00 0.00 C ATOM 828 C VAL A 53 105.970 6.681 -2.330 1.00 0.00 C ATOM 829 O VAL A 53 105.510 5.758 -2.974 1.00 0.00 O ATOM 830 CB VAL A 53 107.367 8.536 -3.306 1.00 0.00 C ATOM 831 CG1 VAL A 53 107.877 7.588 -4.390 1.00 0.00 C ATOM 832 CG2 VAL A 53 107.327 9.959 -3.864 1.00 0.00 C ATOM 0 H VAL A 53 106.371 9.475 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 53 105.259 8.136 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 53 108.032 8.499 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 53 108.878 7.891 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 53 107.909 6.571 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 53 107.208 7.625 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.329 10.258 -4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.659 9.994 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 53 106.964 10.641 -3.095 1.00 0.00 H new ATOM 842 N ALA A 54 106.490 6.495 -1.146 1.00 0.00 N ATOM 843 CA ALA A 54 106.531 5.127 -0.549 1.00 0.00 C ATOM 844 C ALA A 54 105.125 4.696 -0.119 1.00 0.00 C ATOM 845 O ALA A 54 104.823 3.521 -0.042 1.00 0.00 O ATOM 846 CB ALA A 54 107.455 5.250 0.668 1.00 0.00 C ATOM 0 H ALA A 54 106.889 7.232 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 54 106.889 4.378 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.536 4.282 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.443 5.576 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 54 107.043 5.980 1.365 1.00 0.00 H new ATOM 852 N GLU A 55 104.264 5.640 0.160 1.00 0.00 N ATOM 853 CA GLU A 55 102.876 5.288 0.587 1.00 0.00 C ATOM 854 C GLU A 55 102.023 4.913 -0.630 1.00 0.00 C ATOM 855 O GLU A 55 101.283 3.949 -0.605 1.00 0.00 O ATOM 856 CB GLU A 55 102.333 6.553 1.254 1.00 0.00 C ATOM 857 CG GLU A 55 100.982 6.249 1.905 1.00 0.00 C ATOM 858 CD GLU A 55 99.873 6.375 0.859 1.00 0.00 C ATOM 859 OE1 GLU A 55 99.812 7.405 0.209 1.00 0.00 O ATOM 860 OE2 GLU A 55 99.103 5.438 0.726 1.00 0.00 O ATOM 0 H GLU A 55 104.462 6.639 0.111 1.00 0.00 H new ATOM 0 HA GLU A 55 102.858 4.432 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 103.037 6.912 2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 55 102.222 7.347 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 55 100.987 5.244 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 55 100.800 6.939 2.729 1.00 0.00 H new ATOM 867 N LEU A 56 102.121 5.668 -1.692 1.00 0.00 N ATOM 868 CA LEU A 56 101.314 5.356 -2.910 1.00 0.00 C ATOM 869 C LEU A 56 101.641 3.951 -3.424 1.00 0.00 C ATOM 870 O LEU A 56 100.795 3.081 -3.461 1.00 0.00 O ATOM 871 CB LEU A 56 101.734 6.403 -3.947 1.00 0.00 C ATOM 872 CG LEU A 56 100.575 6.715 -4.909 1.00 0.00 C ATOM 873 CD1 LEU A 56 101.152 7.190 -6.242 1.00 0.00 C ATOM 874 CD2 LEU A 56 99.722 5.464 -5.155 1.00 0.00 C ATOM 0 H LEU A 56 102.724 6.487 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 56 100.244 5.382 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 56 102.049 7.316 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 56 102.593 6.039 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 56 99.947 7.487 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 100.338 7.414 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 56 101.749 8.088 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 56 101.781 6.407 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 56 98.908 5.707 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 56 100.342 4.681 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 56 99.309 5.113 -4.209 1.00 0.00 H new ATOM 886 N LEU A 57 102.863 3.731 -3.830 1.00 0.00 N ATOM 887 CA LEU A 57 103.252 2.388 -4.355 1.00 0.00 C ATOM 888 C LEU A 57 102.871 1.287 -3.360 1.00 0.00 C ATOM 889 O LEU A 57 102.271 0.293 -3.723 1.00 0.00 O ATOM 890 CB LEU A 57 104.769 2.454 -4.528 1.00 0.00 C ATOM 891 CG LEU A 57 105.109 3.318 -5.744 1.00 0.00 C ATOM 892 CD1 LEU A 57 106.352 4.159 -5.443 1.00 0.00 C ATOM 893 CD2 LEU A 57 105.381 2.416 -6.952 1.00 0.00 C ATOM 0 H LEU A 57 103.611 4.425 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 57 102.743 2.152 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.230 2.871 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 57 105.175 1.451 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 57 104.270 3.978 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 57 106.594 4.774 -6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 57 106.157 4.802 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 57 107.192 3.501 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 57 105.623 3.031 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 57 106.219 1.755 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 57 104.495 1.819 -7.167 1.00 0.00 H new ATOM 905 N LEU A 58 103.215 1.455 -2.111 1.00 0.00 N ATOM 906 CA LEU A 58 102.872 0.414 -1.096 1.00 0.00 C ATOM 907 C LEU A 58 101.359 0.189 -1.060 1.00 0.00 C ATOM 908 O LEU A 58 100.890 -0.924 -0.919 1.00 0.00 O ATOM 909 CB LEU A 58 103.361 0.981 0.238 1.00 0.00 C ATOM 910 CG LEU A 58 103.133 -0.050 1.350 1.00 0.00 C ATOM 911 CD1 LEU A 58 104.472 -0.409 1.998 1.00 0.00 C ATOM 912 CD2 LEU A 58 102.200 0.538 2.411 1.00 0.00 C ATOM 0 H LEU A 58 103.717 2.266 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 58 103.332 -0.548 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 58 104.420 1.231 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.829 1.904 0.469 1.00 0.00 H new ATOM 0 HG LEU A 58 102.682 -0.946 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.309 -1.142 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.139 -0.829 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.923 0.488 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 58 102.039 -0.196 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.651 1.435 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.244 0.794 1.953 1.00 0.00 H new ATOM 924 N LEU A 59 100.592 1.239 -1.188 1.00 0.00 N ATOM 925 CA LEU A 59 99.108 1.090 -1.163 1.00 0.00 C ATOM 926 C LEU A 59 98.641 0.252 -2.356 1.00 0.00 C ATOM 927 O LEU A 59 97.684 -0.491 -2.267 1.00 0.00 O ATOM 928 CB LEU A 59 98.563 2.516 -1.262 1.00 0.00 C ATOM 929 CG LEU A 59 97.037 2.488 -1.163 1.00 0.00 C ATOM 930 CD1 LEU A 59 96.625 2.024 0.234 1.00 0.00 C ATOM 931 CD2 LEU A 59 96.485 3.893 -1.417 1.00 0.00 C ATOM 0 H LEU A 59 100.930 2.194 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 59 98.759 0.583 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 59 98.978 3.131 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 59 98.868 2.969 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 59 96.637 1.799 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 59 95.537 2.004 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 59 97.019 1.024 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 59 97.024 2.713 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 59 95.397 3.875 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 59 96.885 4.581 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 59 96.779 4.225 -2.413 1.00 0.00 H new ATOM 943 N HIS A 60 99.313 0.366 -3.472 1.00 0.00 N ATOM 944 CA HIS A 60 98.909 -0.425 -4.671 1.00 0.00 C ATOM 945 C HIS A 60 99.532 -1.823 -4.611 1.00 0.00 C ATOM 946 O HIS A 60 98.835 -2.817 -4.523 1.00 0.00 O ATOM 947 CB HIS A 60 99.450 0.360 -5.868 1.00 0.00 C ATOM 948 CG HIS A 60 98.644 1.617 -6.048 1.00 0.00 C ATOM 949 ND1 HIS A 60 98.344 2.132 -7.302 1.00 0.00 N ATOM 950 CD2 HIS A 60 98.066 2.474 -5.144 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.615 3.251 -7.117 1.00 0.00 C ATOM 952 NE2 HIS A 60 97.418 3.504 -5.821 1.00 0.00 N ATOM 0 H HIS A 60 100.123 0.972 -3.604 1.00 0.00 H new ATOM 0 HA HIS A 60 97.829 -0.562 -4.734 1.00 0.00 H new ATOM 0 HB2 HIS A 60 100.500 0.608 -5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 60 99.399 -0.250 -6.770 1.00 0.00 H new ATOM 0 HD2 HIS A 60 98.108 2.366 -4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 60 97.237 3.867 -7.919 1.00 0.00 H new ATOM 0 HE2 HIS A 60 96.903 4.285 -5.414 1.00 0.00 H new ATOM 960 N GLY A 61 100.836 -1.911 -4.655 1.00 0.00 N ATOM 961 CA GLY A 61 101.495 -3.238 -4.599 1.00 0.00 C ATOM 962 C GLY A 61 102.971 -3.105 -4.981 1.00 0.00 C ATOM 963 O GLY A 61 103.453 -3.782 -5.866 1.00 0.00 O ATOM 0 H GLY A 61 101.470 -1.115 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.406 -3.655 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 61 100.996 -3.930 -5.277 1.00 0.00 H new ATOM 967 N ALA A 62 103.693 -2.241 -4.317 1.00 0.00 N ATOM 968 CA ALA A 62 105.140 -2.072 -4.644 1.00 0.00 C ATOM 969 C ALA A 62 105.925 -3.313 -4.214 1.00 0.00 C ATOM 970 O ALA A 62 105.371 -4.382 -4.050 1.00 0.00 O ATOM 971 CB ALA A 62 105.592 -0.850 -3.843 1.00 0.00 C ATOM 0 H ALA A 62 103.345 -1.647 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 62 105.308 -1.941 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 106.649 -0.662 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 62 105.009 0.020 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.441 -1.036 -2.780 1.00 0.00 H new ATOM 977 N GLU A 63 107.210 -3.177 -4.024 1.00 0.00 N ATOM 978 CA GLU A 63 108.031 -4.345 -3.597 1.00 0.00 C ATOM 979 C GLU A 63 108.831 -3.991 -2.340 1.00 0.00 C ATOM 980 O GLU A 63 110.033 -3.819 -2.396 1.00 0.00 O ATOM 981 CB GLU A 63 108.968 -4.629 -4.773 1.00 0.00 C ATOM 982 CG GLU A 63 108.149 -5.048 -5.995 1.00 0.00 C ATOM 983 CD GLU A 63 108.036 -6.572 -6.036 1.00 0.00 C ATOM 984 OE1 GLU A 63 107.442 -7.127 -5.126 1.00 0.00 O ATOM 985 OE2 GLU A 63 108.544 -7.159 -6.977 1.00 0.00 O ATOM 0 H GLU A 63 107.727 -2.306 -4.146 1.00 0.00 H new ATOM 0 HA GLU A 63 107.420 -5.213 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.556 -3.741 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 63 109.672 -5.417 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 63 107.156 -4.600 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 63 108.623 -4.683 -6.906 1.00 0.00 H new ATOM 992 N PRO A 64 108.131 -3.885 -1.240 1.00 0.00 N ATOM 993 CA PRO A 64 108.780 -3.540 0.045 1.00 0.00 C ATOM 994 C PRO A 64 109.456 -4.772 0.655 1.00 0.00 C ATOM 995 O PRO A 64 110.344 -4.658 1.477 1.00 0.00 O ATOM 996 CB PRO A 64 107.619 -3.073 0.916 1.00 0.00 C ATOM 997 CG PRO A 64 106.401 -3.739 0.352 1.00 0.00 C ATOM 998 CD PRO A 64 106.683 -4.075 -1.092 1.00 0.00 C ATOM 0 HA PRO A 64 109.561 -2.787 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 64 107.773 -3.354 1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 64 107.520 -1.988 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.165 -4.642 0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 64 105.536 -3.080 0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.392 -5.099 -1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 64 106.127 -3.424 -1.766 1.00 0.00 H new ATOM 1006 N ASN A 65 109.040 -5.948 0.262 1.00 0.00 N ATOM 1007 CA ASN A 65 109.657 -7.184 0.824 1.00 0.00 C ATOM 1008 C ASN A 65 110.863 -7.608 -0.021 1.00 0.00 C ATOM 1009 O ASN A 65 111.947 -7.817 0.489 1.00 0.00 O ATOM 1010 CB ASN A 65 108.556 -8.243 0.753 1.00 0.00 C ATOM 1011 CG ASN A 65 107.374 -7.814 1.625 1.00 0.00 C ATOM 1012 OD1 ASN A 65 107.493 -6.913 2.433 1.00 0.00 O ATOM 1013 ND2 ASN A 65 106.230 -8.425 1.495 1.00 0.00 N ATOM 0 H ASN A 65 108.301 -6.105 -0.423 1.00 0.00 H new ATOM 0 HA ASN A 65 110.019 -7.037 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 65 108.231 -8.375 -0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 65 108.940 -9.205 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 65 105.435 -8.147 2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 65 106.130 -9.181 0.817 1.00 0.00 H new ATOM 1020 N CYS A 66 110.681 -7.739 -1.308 1.00 0.00 N ATOM 1021 CA CYS A 66 111.815 -8.152 -2.189 1.00 0.00 C ATOM 1022 C CYS A 66 112.987 -7.176 -2.047 1.00 0.00 C ATOM 1023 O CYS A 66 112.849 -6.102 -1.496 1.00 0.00 O ATOM 1024 CB CYS A 66 111.255 -8.117 -3.606 1.00 0.00 C ATOM 1025 SG CYS A 66 111.332 -9.772 -4.337 1.00 0.00 S ATOM 0 H CYS A 66 109.796 -7.578 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 66 112.196 -9.139 -1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 66 110.224 -7.764 -3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 66 111.824 -7.414 -4.214 1.00 0.00 H new ATOM 0 HG CYS A 66 110.851 -9.736 -5.544 1.00 0.00 H new ATOM 1031 N ALA A 67 114.141 -7.545 -2.538 1.00 0.00 N ATOM 1032 CA ALA A 67 115.324 -6.641 -2.428 1.00 0.00 C ATOM 1033 C ALA A 67 116.227 -6.800 -3.655 1.00 0.00 C ATOM 1034 O ALA A 67 115.850 -7.399 -4.643 1.00 0.00 O ATOM 1035 CB ALA A 67 116.053 -7.098 -1.164 1.00 0.00 C ATOM 0 H ALA A 67 114.315 -8.432 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 67 115.039 -5.590 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 67 116.938 -6.481 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.389 -6.999 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.352 -8.141 -1.273 1.00 0.00 H new ATOM 1041 N ASP A 68 117.418 -6.265 -3.597 1.00 0.00 N ATOM 1042 CA ASP A 68 118.349 -6.379 -4.756 1.00 0.00 C ATOM 1043 C ASP A 68 119.147 -7.688 -4.665 1.00 0.00 C ATOM 1044 O ASP A 68 119.759 -7.964 -3.653 1.00 0.00 O ATOM 1045 CB ASP A 68 119.281 -5.175 -4.632 1.00 0.00 C ATOM 1046 CG ASP A 68 119.950 -4.907 -5.982 1.00 0.00 C ATOM 1047 OD1 ASP A 68 120.688 -5.767 -6.435 1.00 0.00 O ATOM 1048 OD2 ASP A 68 119.714 -3.848 -6.538 1.00 0.00 O ATOM 0 H ASP A 68 117.786 -5.753 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 68 117.823 -6.392 -5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 68 118.719 -4.298 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 68 120.037 -5.364 -3.870 1.00 0.00 H new ATOM 1053 N PRO A 69 119.119 -8.456 -5.728 1.00 0.00 N ATOM 1054 CA PRO A 69 119.859 -9.743 -5.748 1.00 0.00 C ATOM 1055 C PRO A 69 121.363 -9.491 -5.877 1.00 0.00 C ATOM 1056 O PRO A 69 122.174 -10.302 -5.475 1.00 0.00 O ATOM 1057 CB PRO A 69 119.320 -10.447 -6.990 1.00 0.00 C ATOM 1058 CG PRO A 69 118.835 -9.349 -7.882 1.00 0.00 C ATOM 1059 CD PRO A 69 118.411 -8.208 -6.992 1.00 0.00 C ATOM 0 HA PRO A 69 119.724 -10.329 -4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 69 120.097 -11.036 -7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 69 118.512 -11.133 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 69 119.623 -9.032 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 69 118.000 -9.691 -8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 69 118.687 -7.245 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.331 -8.195 -6.848 1.00 0.00 H new ATOM 1067 N ALA A 70 121.740 -8.373 -6.439 1.00 0.00 N ATOM 1068 CA ALA A 70 123.193 -8.068 -6.598 1.00 0.00 C ATOM 1069 C ALA A 70 123.863 -7.937 -5.228 1.00 0.00 C ATOM 1070 O ALA A 70 124.874 -8.558 -4.962 1.00 0.00 O ATOM 1071 CB ALA A 70 123.239 -6.734 -7.346 1.00 0.00 C ATOM 0 H ALA A 70 121.105 -7.658 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 70 123.722 -8.856 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.277 -6.440 -7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 70 122.743 -6.840 -8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 70 122.730 -5.970 -6.759 1.00 0.00 H new ATOM 1077 N THR A 71 123.311 -7.134 -4.359 1.00 0.00 N ATOM 1078 CA THR A 71 123.923 -6.965 -3.007 1.00 0.00 C ATOM 1079 C THR A 71 122.896 -7.268 -1.913 1.00 0.00 C ATOM 1080 O THR A 71 122.993 -6.771 -0.808 1.00 0.00 O ATOM 1081 CB THR A 71 124.366 -5.500 -2.942 1.00 0.00 C ATOM 1082 OG1 THR A 71 123.530 -4.709 -3.774 1.00 0.00 O ATOM 1083 CG2 THR A 71 125.817 -5.388 -3.413 1.00 0.00 C ATOM 0 H THR A 71 122.465 -6.589 -4.525 1.00 0.00 H new ATOM 0 HA THR A 71 124.759 -7.647 -2.851 1.00 0.00 H new ATOM 0 HB THR A 71 124.288 -5.142 -1.915 1.00 0.00 H new ATOM 0 HG1 THR A 71 123.815 -3.773 -3.729 1.00 0.00 H new ATOM 0 HG21 THR A 71 126.135 -4.346 -3.368 1.00 0.00 H new ATOM 0 HG22 THR A 71 126.456 -5.991 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 71 125.895 -5.747 -4.439 1.00 0.00 H new ATOM 1091 N LEU A 72 121.919 -8.090 -2.207 1.00 0.00 N ATOM 1092 CA LEU A 72 120.887 -8.444 -1.182 1.00 0.00 C ATOM 1093 C LEU A 72 120.420 -7.196 -0.419 1.00 0.00 C ATOM 1094 O LEU A 72 120.185 -7.240 0.774 1.00 0.00 O ATOM 1095 CB LEU A 72 121.600 -9.412 -0.234 1.00 0.00 C ATOM 1096 CG LEU A 72 120.750 -10.669 -0.045 1.00 0.00 C ATOM 1097 CD1 LEU A 72 121.586 -11.753 0.639 1.00 0.00 C ATOM 1098 CD2 LEU A 72 119.539 -10.336 0.827 1.00 0.00 C ATOM 0 H LEU A 72 121.791 -8.533 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 72 119.996 -8.881 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 72 122.576 -9.679 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 72 121.774 -8.931 0.729 1.00 0.00 H new ATOM 0 HG LEU A 72 120.413 -11.029 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 72 120.980 -12.649 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 72 122.451 -11.990 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 72 121.923 -11.393 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 72 118.932 -11.231 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 72 119.878 -9.976 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 72 118.943 -9.563 0.342 1.00 0.00 H new ATOM 1110 N THR A 73 120.294 -6.087 -1.094 1.00 0.00 N ATOM 1111 CA THR A 73 119.853 -4.837 -0.406 1.00 0.00 C ATOM 1112 C THR A 73 118.349 -4.618 -0.600 1.00 0.00 C ATOM 1113 O THR A 73 117.854 -4.596 -1.709 1.00 0.00 O ATOM 1114 CB THR A 73 120.652 -3.712 -1.074 1.00 0.00 C ATOM 1115 OG1 THR A 73 121.091 -4.133 -2.360 1.00 0.00 O ATOM 1116 CG2 THR A 73 121.864 -3.364 -0.209 1.00 0.00 C ATOM 0 H THR A 73 120.477 -5.990 -2.093 1.00 0.00 H new ATOM 0 HA THR A 73 120.027 -4.879 0.669 1.00 0.00 H new ATOM 0 HB THR A 73 120.016 -2.833 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 73 122.068 -4.206 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 73 122.432 -2.564 -0.684 1.00 0.00 H new ATOM 0 HG22 THR A 73 121.527 -3.036 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.498 -4.244 -0.100 1.00 0.00 H new ATOM 1124 N ARG A 74 117.619 -4.456 0.474 1.00 0.00 N ATOM 1125 CA ARG A 74 116.148 -4.238 0.350 1.00 0.00 C ATOM 1126 C ARG A 74 115.833 -2.728 0.349 1.00 0.00 C ATOM 1127 O ARG A 74 116.737 -1.917 0.349 1.00 0.00 O ATOM 1128 CB ARG A 74 115.540 -4.976 1.551 1.00 0.00 C ATOM 1129 CG ARG A 74 115.516 -4.095 2.810 1.00 0.00 C ATOM 1130 CD ARG A 74 114.304 -4.479 3.668 1.00 0.00 C ATOM 1131 NE ARG A 74 114.372 -5.959 3.806 1.00 0.00 N ATOM 1132 CZ ARG A 74 113.661 -6.722 3.022 1.00 0.00 C ATOM 1133 NH1 ARG A 74 112.365 -6.581 2.976 1.00 0.00 N ATOM 1134 NH2 ARG A 74 114.245 -7.619 2.279 1.00 0.00 N ATOM 0 H ARG A 74 117.978 -4.465 1.429 1.00 0.00 H new ATOM 0 HA ARG A 74 115.732 -4.618 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 74 114.525 -5.291 1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 74 116.115 -5.880 1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 74 116.436 -4.227 3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 74 115.461 -3.043 2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 74 114.342 -3.991 4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 74 113.373 -4.171 3.193 1.00 0.00 H new ATOM 0 HE ARG A 74 114.975 -6.377 4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 74 111.908 -5.875 3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 74 111.809 -7.177 2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 74 115.259 -7.725 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 74 113.688 -8.215 1.666 1.00 0.00 H new ATOM 1148 N PRO A 75 114.561 -2.394 0.327 1.00 0.00 N ATOM 1149 CA PRO A 75 114.157 -0.964 0.301 1.00 0.00 C ATOM 1150 C PRO A 75 114.321 -0.305 1.677 1.00 0.00 C ATOM 1151 O PRO A 75 114.662 0.858 1.774 1.00 0.00 O ATOM 1152 CB PRO A 75 112.687 -1.014 -0.102 1.00 0.00 C ATOM 1153 CG PRO A 75 112.208 -2.367 0.316 1.00 0.00 C ATOM 1154 CD PRO A 75 113.398 -3.293 0.324 1.00 0.00 C ATOM 0 HA PRO A 75 114.769 -0.372 -0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.117 -0.226 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.569 -0.869 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 75 111.752 -2.322 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 75 111.445 -2.731 -0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.393 -3.939 1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 75 113.401 -3.944 -0.550 1.00 0.00 H new ATOM 1162 N VAL A 76 114.075 -1.027 2.740 1.00 0.00 N ATOM 1163 CA VAL A 76 114.215 -0.420 4.104 1.00 0.00 C ATOM 1164 C VAL A 76 115.598 0.222 4.261 1.00 0.00 C ATOM 1165 O VAL A 76 115.760 1.203 4.960 1.00 0.00 O ATOM 1166 CB VAL A 76 114.052 -1.582 5.085 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.226 -1.075 6.518 1.00 0.00 C ATOM 1168 CG2 VAL A 76 112.654 -2.188 4.933 1.00 0.00 C ATOM 0 H VAL A 76 113.785 -2.005 2.726 1.00 0.00 H new ATOM 0 HA VAL A 76 113.477 0.363 4.278 1.00 0.00 H new ATOM 0 HB VAL A 76 114.806 -2.339 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.109 -1.905 7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.220 -0.642 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 76 113.473 -0.316 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 76 112.538 -3.016 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 76 111.903 -1.427 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.524 -2.553 3.914 1.00 0.00 H new ATOM 1178 N HIS A 77 116.593 -0.324 3.614 1.00 0.00 N ATOM 1179 CA HIS A 77 117.963 0.257 3.724 1.00 0.00 C ATOM 1180 C HIS A 77 117.971 1.685 3.173 1.00 0.00 C ATOM 1181 O HIS A 77 118.534 2.585 3.764 1.00 0.00 O ATOM 1182 CB HIS A 77 118.853 -0.654 2.877 1.00 0.00 C ATOM 1183 CG HIS A 77 119.287 -1.834 3.701 1.00 0.00 C ATOM 1184 ND1 HIS A 77 118.381 -2.729 4.248 1.00 0.00 N ATOM 1185 CD2 HIS A 77 120.530 -2.280 4.081 1.00 0.00 C ATOM 1186 CE1 HIS A 77 119.084 -3.659 4.920 1.00 0.00 C ATOM 1187 NE2 HIS A 77 120.398 -3.432 4.852 1.00 0.00 N ATOM 0 H HIS A 77 116.517 -1.146 3.015 1.00 0.00 H new ATOM 0 HA HIS A 77 118.309 0.311 4.756 1.00 0.00 H new ATOM 0 HB2 HIS A 77 118.310 -0.993 1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 77 119.724 -0.103 2.523 1.00 0.00 H new ATOM 0 HD1 HIS A 77 117.366 -2.690 4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 77 121.466 -1.809 3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 77 118.639 -4.488 5.450 1.00 0.00 H new ATOM 1195 N ASP A 78 117.345 1.898 2.045 1.00 0.00 N ATOM 1196 CA ASP A 78 117.311 3.270 1.456 1.00 0.00 C ATOM 1197 C ASP A 78 116.495 4.207 2.352 1.00 0.00 C ATOM 1198 O ASP A 78 116.928 5.291 2.691 1.00 0.00 O ATOM 1199 CB ASP A 78 116.635 3.104 0.095 1.00 0.00 C ATOM 1200 CG ASP A 78 117.684 2.739 -0.957 1.00 0.00 C ATOM 1201 OD1 ASP A 78 118.771 3.292 -0.897 1.00 0.00 O ATOM 1202 OD2 ASP A 78 117.384 1.914 -1.803 1.00 0.00 O ATOM 0 H ASP A 78 116.856 1.183 1.507 1.00 0.00 H new ATOM 0 HA ASP A 78 118.306 3.704 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 78 115.873 2.327 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 78 116.129 4.028 -0.186 1.00 0.00 H new ATOM 1207 N ALA A 79 115.315 3.794 2.740 1.00 0.00 N ATOM 1208 CA ALA A 79 114.469 4.658 3.618 1.00 0.00 C ATOM 1209 C ALA A 79 115.255 5.070 4.866 1.00 0.00 C ATOM 1210 O ALA A 79 115.027 6.119 5.437 1.00 0.00 O ATOM 1211 CB ALA A 79 113.269 3.789 3.998 1.00 0.00 C ATOM 0 H ALA A 79 114.901 2.897 2.487 1.00 0.00 H new ATOM 0 HA ALA A 79 114.160 5.577 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 79 112.599 4.356 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 79 112.735 3.491 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 79 113.616 2.900 4.525 1.00 0.00 H new ATOM 1217 N ALA A 80 116.186 4.255 5.286 1.00 0.00 N ATOM 1218 CA ALA A 80 116.997 4.599 6.490 1.00 0.00 C ATOM 1219 C ALA A 80 118.187 5.469 6.082 1.00 0.00 C ATOM 1220 O ALA A 80 118.654 6.296 6.842 1.00 0.00 O ATOM 1221 CB ALA A 80 117.477 3.258 7.043 1.00 0.00 C ATOM 0 H ALA A 80 116.420 3.365 4.847 1.00 0.00 H new ATOM 0 HA ALA A 80 116.427 5.160 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 80 118.083 3.427 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 80 116.616 2.642 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.075 2.747 6.289 1.00 0.00 H new ATOM 1227 N ARG A 81 118.679 5.288 4.885 1.00 0.00 N ATOM 1228 CA ARG A 81 119.840 6.103 4.419 1.00 0.00 C ATOM 1229 C ARG A 81 119.474 7.589 4.410 1.00 0.00 C ATOM 1230 O ARG A 81 120.329 8.449 4.496 1.00 0.00 O ATOM 1231 CB ARG A 81 120.125 5.616 2.996 1.00 0.00 C ATOM 1232 CG ARG A 81 120.661 4.182 3.039 1.00 0.00 C ATOM 1233 CD ARG A 81 122.168 4.186 2.762 1.00 0.00 C ATOM 1234 NE ARG A 81 122.395 3.033 1.847 1.00 0.00 N ATOM 1235 CZ ARG A 81 122.764 3.242 0.612 1.00 0.00 C ATOM 1236 NH1 ARG A 81 122.212 4.201 -0.080 1.00 0.00 N ATOM 1237 NH2 ARG A 81 123.682 2.490 0.069 1.00 0.00 N ATOM 0 H ARG A 81 118.327 4.610 4.209 1.00 0.00 H new ATOM 0 HA ARG A 81 120.707 5.991 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 81 119.214 5.656 2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 81 120.851 6.272 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 81 120.462 3.738 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 81 120.147 3.569 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 81 122.482 5.123 2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 81 122.739 4.077 3.684 1.00 0.00 H new ATOM 0 HE ARG A 81 122.262 2.080 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 81 121.493 4.787 0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 81 122.500 4.365 -1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 81 124.111 1.739 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 81 123.970 2.653 -0.896 1.00 0.00 H new ATOM 1251 N GLU A 82 118.209 7.898 4.299 1.00 0.00 N ATOM 1252 CA GLU A 82 117.787 9.329 4.280 1.00 0.00 C ATOM 1253 C GLU A 82 117.256 9.748 5.655 1.00 0.00 C ATOM 1254 O GLU A 82 117.317 10.903 6.026 1.00 0.00 O ATOM 1255 CB GLU A 82 116.677 9.399 3.231 1.00 0.00 C ATOM 1256 CG GLU A 82 117.289 9.726 1.867 1.00 0.00 C ATOM 1257 CD GLU A 82 117.939 8.470 1.283 1.00 0.00 C ATOM 1258 OE1 GLU A 82 117.361 7.406 1.430 1.00 0.00 O ATOM 1259 OE2 GLU A 82 119.004 8.594 0.702 1.00 0.00 O ATOM 0 H GLU A 82 117.450 7.221 4.221 1.00 0.00 H new ATOM 0 HA GLU A 82 118.614 9.999 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 82 116.144 8.449 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 82 115.948 10.161 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 82 116.519 10.097 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 82 118.031 10.518 1.970 1.00 0.00 H new ATOM 1266 N GLY A 83 116.735 8.818 6.411 1.00 0.00 N ATOM 1267 CA GLY A 83 116.199 9.165 7.759 1.00 0.00 C ATOM 1268 C GLY A 83 114.710 9.496 7.647 1.00 0.00 C ATOM 1269 O GLY A 83 114.201 10.355 8.338 1.00 0.00 O ATOM 0 H GLY A 83 116.658 7.834 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 83 116.346 8.332 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 83 116.742 10.016 8.170 1.00 0.00 H new ATOM 1273 N PHE A 84 114.010 8.818 6.776 1.00 0.00 N ATOM 1274 CA PHE A 84 112.552 9.087 6.610 1.00 0.00 C ATOM 1275 C PHE A 84 111.731 8.057 7.390 1.00 0.00 C ATOM 1276 O PHE A 84 111.446 6.981 6.904 1.00 0.00 O ATOM 1277 CB PHE A 84 112.298 8.951 5.106 1.00 0.00 C ATOM 1278 CG PHE A 84 111.568 10.193 4.592 1.00 0.00 C ATOM 1279 CD1 PHE A 84 110.173 10.067 4.887 1.00 0.00 C ATOM 1280 CD2 PHE A 84 110.482 10.523 3.753 1.00 0.00 C ATOM 1281 CE1 PHE A 84 110.369 11.069 3.938 1.00 0.00 C ATOM 1282 CE2 PHE A 84 110.047 10.694 5.066 1.00 0.00 C ATOM 1283 CZ PHE A 84 111.371 11.220 4.912 1.00 0.00 C ATOM 0 H PHE A 84 114.386 8.088 6.171 1.00 0.00 H new ATOM 0 HA PHE A 84 112.265 10.069 6.987 1.00 0.00 H new ATOM 0 HB2 PHE A 84 113.243 8.828 4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 84 111.703 8.059 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 84 109.437 9.535 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 84 110.175 10.598 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 84 109.985 11.479 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 84 109.233 10.533 5.757 1.00 0.00 H new ATOM 0 HZ PHE A 84 112.352 11.504 5.263 1.00 0.00 H new ATOM 1293 N LEU A 85 111.350 8.380 8.597 1.00 0.00 N ATOM 1294 CA LEU A 85 110.548 7.421 9.413 1.00 0.00 C ATOM 1295 C LEU A 85 109.180 7.178 8.766 1.00 0.00 C ATOM 1296 O LEU A 85 108.568 6.146 8.962 1.00 0.00 O ATOM 1297 CB LEU A 85 110.383 8.096 10.777 1.00 0.00 C ATOM 1298 CG LEU A 85 111.462 7.596 11.746 1.00 0.00 C ATOM 1299 CD1 LEU A 85 111.339 6.079 11.920 1.00 0.00 C ATOM 1300 CD2 LEU A 85 112.850 7.936 11.193 1.00 0.00 C ATOM 0 H LEU A 85 111.560 9.267 9.054 1.00 0.00 H new ATOM 0 HA LEU A 85 111.035 6.449 9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 85 110.455 9.178 10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 85 109.393 7.882 11.180 1.00 0.00 H new ATOM 0 HG LEU A 85 111.328 8.082 12.712 1.00 0.00 H new ATOM 0 HD11 LEU A 85 112.107 5.728 12.609 1.00 0.00 H new ATOM 0 HD12 LEU A 85 110.355 5.837 12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 85 111.467 5.590 10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 85 113.614 7.580 11.884 1.00 0.00 H new ATOM 0 HD22 LEU A 85 112.984 7.455 10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 85 112.941 9.016 11.077 1.00 0.00 H new ATOM 1312 N ASP A 86 108.695 8.117 7.997 1.00 0.00 N ATOM 1313 CA ASP A 86 107.366 7.934 7.341 1.00 0.00 C ATOM 1314 C ASP A 86 107.402 6.728 6.398 1.00 0.00 C ATOM 1315 O ASP A 86 106.619 5.808 6.522 1.00 0.00 O ATOM 1316 CB ASP A 86 107.128 9.224 6.554 1.00 0.00 C ATOM 1317 CG ASP A 86 106.708 10.338 7.514 1.00 0.00 C ATOM 1318 OD1 ASP A 86 107.214 10.360 8.624 1.00 0.00 O ATOM 1319 OD2 ASP A 86 105.888 11.153 7.123 1.00 0.00 O ATOM 0 H ASP A 86 109.161 9.002 7.795 1.00 0.00 H new ATOM 0 HA ASP A 86 106.572 7.747 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 86 108.035 9.511 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 86 106.354 9.066 5.802 1.00 0.00 H new ATOM 1324 N THR A 87 108.310 6.724 5.456 1.00 0.00 N ATOM 1325 CA THR A 87 108.399 5.573 4.506 1.00 0.00 C ATOM 1326 C THR A 87 108.614 4.270 5.281 1.00 0.00 C ATOM 1327 O THR A 87 108.010 3.257 4.988 1.00 0.00 O ATOM 1328 CB THR A 87 109.608 5.884 3.616 1.00 0.00 C ATOM 1329 OG1 THR A 87 109.306 6.993 2.781 1.00 0.00 O ATOM 1330 CG2 THR A 87 109.945 4.668 2.749 1.00 0.00 C ATOM 0 H THR A 87 108.993 7.466 5.303 1.00 0.00 H new ATOM 0 HA THR A 87 107.489 5.446 3.919 1.00 0.00 H new ATOM 0 HB THR A 87 110.465 6.122 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 87 110.119 7.285 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 87 110.805 4.897 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 87 110.180 3.818 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 87 109.090 4.422 2.119 1.00 0.00 H new ATOM 1338 N LEU A 88 109.468 4.290 6.271 1.00 0.00 N ATOM 1339 CA LEU A 88 109.716 3.052 7.065 1.00 0.00 C ATOM 1340 C LEU A 88 108.401 2.552 7.669 1.00 0.00 C ATOM 1341 O LEU A 88 108.093 1.377 7.621 1.00 0.00 O ATOM 1342 CB LEU A 88 110.697 3.467 8.163 1.00 0.00 C ATOM 1343 CG LEU A 88 112.127 3.181 7.698 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.720 4.439 7.063 1.00 0.00 C ATOM 1345 CD2 LEU A 88 112.979 2.768 8.899 1.00 0.00 C ATOM 0 H LEU A 88 110.003 5.108 6.563 1.00 0.00 H new ATOM 0 HA LEU A 88 110.118 2.241 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 88 110.581 4.527 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.485 2.920 9.082 1.00 0.00 H new ATOM 0 HG LEU A 88 112.115 2.375 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.738 4.234 6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.113 4.735 6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 88 112.732 5.246 7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 88 113.998 2.564 8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 88 112.989 3.574 9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 88 112.558 1.871 9.353 1.00 0.00 H new ATOM 1357 N VAL A 89 107.613 3.441 8.218 1.00 0.00 N ATOM 1358 CA VAL A 89 106.307 3.017 8.803 1.00 0.00 C ATOM 1359 C VAL A 89 105.416 2.468 7.687 1.00 0.00 C ATOM 1360 O VAL A 89 104.757 1.459 7.840 1.00 0.00 O ATOM 1361 CB VAL A 89 105.698 4.289 9.401 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.331 3.968 10.009 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.622 4.834 10.492 1.00 0.00 C ATOM 0 H VAL A 89 107.817 4.438 8.286 1.00 0.00 H new ATOM 0 HA VAL A 89 106.415 2.237 9.557 1.00 0.00 H new ATOM 0 HB VAL A 89 105.580 5.035 8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 89 103.900 4.874 10.434 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.670 3.580 9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 89 104.448 3.220 10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 89 106.188 5.739 10.917 1.00 0.00 H new ATOM 0 HG22 VAL A 89 106.741 4.086 11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.596 5.066 10.061 1.00 0.00 H new ATOM 1373 N VAL A 90 105.405 3.130 6.560 1.00 0.00 N ATOM 1374 CA VAL A 90 104.574 2.665 5.417 1.00 0.00 C ATOM 1375 C VAL A 90 104.958 1.230 5.040 1.00 0.00 C ATOM 1376 O VAL A 90 104.111 0.379 4.848 1.00 0.00 O ATOM 1377 CB VAL A 90 104.904 3.634 4.276 1.00 0.00 C ATOM 1378 CG1 VAL A 90 104.139 3.229 3.015 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.496 5.053 4.681 1.00 0.00 C ATOM 0 H VAL A 90 105.941 3.979 6.384 1.00 0.00 H new ATOM 0 HA VAL A 90 103.509 2.656 5.648 1.00 0.00 H new ATOM 0 HB VAL A 90 105.975 3.601 4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.377 3.921 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.426 2.219 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.068 3.258 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 90 104.730 5.744 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.425 5.080 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 90 105.042 5.347 5.577 1.00 0.00 H new ATOM 1389 N LEU A 91 106.233 0.957 4.942 1.00 0.00 N ATOM 1390 CA LEU A 91 106.679 -0.422 4.584 1.00 0.00 C ATOM 1391 C LEU A 91 106.214 -1.415 5.653 1.00 0.00 C ATOM 1392 O LEU A 91 105.674 -2.461 5.351 1.00 0.00 O ATOM 1393 CB LEU A 91 108.206 -0.348 4.548 1.00 0.00 C ATOM 1394 CG LEU A 91 108.672 -0.091 3.114 1.00 0.00 C ATOM 1395 CD1 LEU A 91 108.416 1.372 2.746 1.00 0.00 C ATOM 1396 CD2 LEU A 91 110.170 -0.386 3.005 1.00 0.00 C ATOM 0 H LEU A 91 106.985 1.629 5.094 1.00 0.00 H new ATOM 0 HA LEU A 91 106.267 -0.759 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.557 0.449 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.634 -1.279 4.919 1.00 0.00 H new ATOM 0 HG LEU A 91 108.120 -0.739 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 91 108.749 1.554 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 91 107.350 1.586 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 91 108.967 2.020 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 91 110.503 -0.203 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 91 110.719 0.263 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 91 110.356 -1.428 3.266 1.00 0.00 H new ATOM 1408 N HIS A 92 106.417 -1.089 6.900 1.00 0.00 N ATOM 1409 CA HIS A 92 105.986 -2.006 7.996 1.00 0.00 C ATOM 1410 C HIS A 92 104.459 -2.109 8.028 1.00 0.00 C ATOM 1411 O HIS A 92 103.903 -3.095 8.472 1.00 0.00 O ATOM 1412 CB HIS A 92 106.506 -1.358 9.280 1.00 0.00 C ATOM 1413 CG HIS A 92 106.693 -2.409 10.338 1.00 0.00 C ATOM 1414 ND1 HIS A 92 106.321 -2.203 11.657 1.00 0.00 N ATOM 1415 CD2 HIS A 92 107.215 -3.678 10.289 1.00 0.00 C ATOM 1416 CE1 HIS A 92 106.622 -3.322 12.342 1.00 0.00 C ATOM 1417 NE2 HIS A 92 107.168 -4.253 11.556 1.00 0.00 N ATOM 0 H HIS A 92 106.864 -0.226 7.209 1.00 0.00 H new ATOM 0 HA HIS A 92 106.370 -3.018 7.865 1.00 0.00 H new ATOM 0 HB2 HIS A 92 107.451 -0.851 9.086 1.00 0.00 H new ATOM 0 HB3 HIS A 92 105.803 -0.600 9.627 1.00 0.00 H new ATOM 0 HD2 HIS A 92 107.603 -4.157 9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 92 106.443 -3.451 13.399 1.00 0.00 H new ATOM 0 HE2 HIS A 92 107.483 -5.185 11.826 1.00 0.00 H new ATOM 1425 N ARG A 93 103.778 -1.097 7.559 1.00 0.00 N ATOM 1426 CA ARG A 93 102.286 -1.130 7.560 1.00 0.00 C ATOM 1427 C ARG A 93 101.778 -2.178 6.566 1.00 0.00 C ATOM 1428 O ARG A 93 100.732 -2.768 6.754 1.00 0.00 O ATOM 1429 CB ARG A 93 101.857 0.274 7.129 1.00 0.00 C ATOM 1430 CG ARG A 93 101.655 1.150 8.366 1.00 0.00 C ATOM 1431 CD ARG A 93 101.294 2.573 7.933 1.00 0.00 C ATOM 1432 NE ARG A 93 99.905 2.474 7.406 1.00 0.00 N ATOM 1433 CZ ARG A 93 99.630 2.909 6.206 1.00 0.00 C ATOM 1434 NH1 ARG A 93 100.440 2.650 5.216 1.00 0.00 N ATOM 1435 NH2 ARG A 93 98.544 3.602 5.996 1.00 0.00 N ATOM 0 H ARG A 93 104.191 -0.247 7.175 1.00 0.00 H new ATOM 0 HA ARG A 93 101.880 -1.397 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 93 102.614 0.713 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 93 100.933 0.222 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.863 0.737 8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 93 102.563 1.162 8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.350 3.267 8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 93 101.981 2.940 7.170 1.00 0.00 H new ATOM 0 HE ARG A 93 99.169 2.067 7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 93 101.288 2.108 5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 93 100.225 2.990 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 93 97.910 3.804 6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 93 98.329 3.942 5.059 1.00 0.00 H new ATOM 1449 N ALA A 94 102.509 -2.410 5.508 1.00 0.00 N ATOM 1450 CA ALA A 94 102.075 -3.410 4.505 1.00 0.00 C ATOM 1451 C ALA A 94 103.051 -4.591 4.471 1.00 0.00 C ATOM 1452 O ALA A 94 103.402 -5.086 3.418 1.00 0.00 O ATOM 1453 CB ALA A 94 102.084 -2.666 3.169 1.00 0.00 C ATOM 0 H ALA A 94 103.392 -1.944 5.300 1.00 0.00 H new ATOM 0 HA ALA A 94 101.092 -3.821 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 94 101.773 -3.343 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.396 -1.822 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.090 -2.302 2.962 1.00 0.00 H new ATOM 1459 N GLY A 95 103.491 -5.042 5.615 1.00 0.00 N ATOM 1460 CA GLY A 95 104.445 -6.188 5.650 1.00 0.00 C ATOM 1461 C GLY A 95 105.773 -5.759 5.025 1.00 0.00 C ATOM 1462 O GLY A 95 105.868 -5.547 3.832 1.00 0.00 O ATOM 0 H GLY A 95 103.231 -4.666 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 95 104.602 -6.514 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 95 104.031 -7.037 5.106 1.00 0.00 H new ATOM 1466 N ALA A 96 106.799 -5.626 5.823 1.00 0.00 N ATOM 1467 CA ALA A 96 108.120 -5.206 5.271 1.00 0.00 C ATOM 1468 C ALA A 96 109.266 -5.815 6.085 1.00 0.00 C ATOM 1469 O ALA A 96 109.559 -5.382 7.181 1.00 0.00 O ATOM 1470 CB ALA A 96 108.134 -3.683 5.395 1.00 0.00 C ATOM 0 H ALA A 96 106.780 -5.789 6.830 1.00 0.00 H new ATOM 0 HA ALA A 96 108.254 -5.539 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 96 109.077 -3.295 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 96 107.307 -3.264 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 96 108.028 -3.402 6.443 1.00 0.00 H new ATOM 1476 N ARG A 97 109.924 -6.808 5.547 1.00 0.00 N ATOM 1477 CA ARG A 97 111.064 -7.438 6.280 1.00 0.00 C ATOM 1478 C ARG A 97 112.128 -6.370 6.569 1.00 0.00 C ATOM 1479 O ARG A 97 112.818 -5.917 5.682 1.00 0.00 O ATOM 1480 CB ARG A 97 111.581 -8.527 5.319 1.00 0.00 C ATOM 1481 CG ARG A 97 113.065 -8.835 5.570 1.00 0.00 C ATOM 1482 CD ARG A 97 113.245 -9.425 6.969 1.00 0.00 C ATOM 1483 NE ARG A 97 112.388 -10.644 6.993 1.00 0.00 N ATOM 1484 CZ ARG A 97 111.248 -10.634 7.631 1.00 0.00 C ATOM 1485 NH1 ARG A 97 111.146 -10.025 8.783 1.00 0.00 N ATOM 1486 NH2 ARG A 97 110.209 -11.237 7.120 1.00 0.00 N ATOM 0 H ARG A 97 109.722 -7.211 4.632 1.00 0.00 H new ATOM 0 HA ARG A 97 110.787 -7.866 7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 97 110.992 -9.436 5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.445 -8.200 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 97 113.432 -9.536 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.656 -7.925 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 97 114.289 -9.674 7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 97 112.941 -8.715 7.738 1.00 0.00 H new ATOM 0 HE ARG A 97 112.693 -11.489 6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 97 111.957 -9.556 9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 97 110.255 -10.018 9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 97 110.287 -11.716 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 97 109.319 -11.229 7.618 1.00 0.00 H new ATOM 1500 N LEU A 98 112.252 -5.954 7.802 1.00 0.00 N ATOM 1501 CA LEU A 98 113.264 -4.906 8.139 1.00 0.00 C ATOM 1502 C LEU A 98 114.472 -5.537 8.834 1.00 0.00 C ATOM 1503 O LEU A 98 115.192 -4.880 9.559 1.00 0.00 O ATOM 1504 CB LEU A 98 112.547 -3.947 9.091 1.00 0.00 C ATOM 1505 CG LEU A 98 111.304 -3.368 8.408 1.00 0.00 C ATOM 1506 CD1 LEU A 98 110.076 -3.621 9.283 1.00 0.00 C ATOM 1507 CD2 LEU A 98 111.483 -1.859 8.212 1.00 0.00 C ATOM 0 H LEU A 98 111.699 -6.293 8.589 1.00 0.00 H new ATOM 0 HA LEU A 98 113.636 -4.398 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 98 112.261 -4.472 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 98 113.220 -3.141 9.385 1.00 0.00 H new ATOM 0 HG LEU A 98 111.168 -3.848 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.192 -3.209 8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 98 109.945 -4.694 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.214 -3.141 10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 98 110.598 -1.448 7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.620 -1.380 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 98 112.358 -1.674 7.589 1.00 0.00 H new ATOM 1519 N ASP A 99 114.698 -6.804 8.621 1.00 0.00 N ATOM 1520 CA ASP A 99 115.857 -7.476 9.274 1.00 0.00 C ATOM 1521 C ASP A 99 116.720 -8.192 8.230 1.00 0.00 C ATOM 1522 O ASP A 99 117.518 -9.048 8.560 1.00 0.00 O ATOM 1523 CB ASP A 99 115.235 -8.487 10.238 1.00 0.00 C ATOM 1524 CG ASP A 99 116.260 -8.876 11.306 1.00 0.00 C ATOM 1525 OD1 ASP A 99 117.044 -8.022 11.686 1.00 0.00 O ATOM 1526 OD2 ASP A 99 116.243 -10.022 11.725 1.00 0.00 O ATOM 0 H ASP A 99 114.130 -7.404 8.023 1.00 0.00 H new ATOM 0 HA ASP A 99 116.507 -6.767 9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 99 114.350 -8.059 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 99 114.910 -9.373 9.692 1.00 0.00 H new ATOM 1531 N VAL A 100 116.574 -7.850 6.976 1.00 0.00 N ATOM 1532 CA VAL A 100 117.397 -8.519 5.928 1.00 0.00 C ATOM 1533 C VAL A 100 118.868 -8.118 6.088 1.00 0.00 C ATOM 1534 O VAL A 100 119.183 -7.133 6.729 1.00 0.00 O ATOM 1535 CB VAL A 100 116.837 -8.027 4.585 1.00 0.00 C ATOM 1536 CG1 VAL A 100 117.376 -6.628 4.271 1.00 0.00 C ATOM 1537 CG2 VAL A 100 117.258 -8.999 3.480 1.00 0.00 C ATOM 0 H VAL A 100 115.925 -7.141 6.635 1.00 0.00 H new ATOM 0 HA VAL A 100 117.352 -9.606 5.999 1.00 0.00 H new ATOM 0 HB VAL A 100 115.749 -7.981 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.973 -6.288 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 100 117.075 -5.937 5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 100 118.464 -6.662 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 100 116.864 -8.656 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 100 118.346 -9.043 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 100 116.865 -9.992 3.699 1.00 0.00 H new ATOM 1547 N CYS A 101 119.766 -8.865 5.507 1.00 0.00 N ATOM 1548 CA CYS A 101 121.212 -8.519 5.622 1.00 0.00 C ATOM 1549 C CYS A 101 121.686 -7.817 4.347 1.00 0.00 C ATOM 1550 O CYS A 101 121.350 -8.216 3.249 1.00 0.00 O ATOM 1551 CB CYS A 101 121.928 -9.858 5.797 1.00 0.00 C ATOM 1552 SG CYS A 101 121.455 -10.591 7.383 1.00 0.00 S ATOM 0 H CYS A 101 119.562 -9.700 4.958 1.00 0.00 H new ATOM 0 HA CYS A 101 121.412 -7.841 6.452 1.00 0.00 H new ATOM 0 HB2 CYS A 101 121.667 -10.532 4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 101 123.008 -9.713 5.758 1.00 0.00 H new ATOM 0 HG CYS A 101 122.062 -11.731 7.532 1.00 0.00 H new ATOM 1558 N ASP A 102 122.463 -6.774 4.481 1.00 0.00 N ATOM 1559 CA ASP A 102 122.954 -6.048 3.272 1.00 0.00 C ATOM 1560 C ASP A 102 124.037 -6.868 2.563 1.00 0.00 C ATOM 1561 O ASP A 102 125.161 -6.432 2.421 1.00 0.00 O ATOM 1562 CB ASP A 102 123.534 -4.736 3.803 1.00 0.00 C ATOM 1563 CG ASP A 102 123.844 -3.802 2.631 1.00 0.00 C ATOM 1564 OD1 ASP A 102 124.863 -4.005 1.992 1.00 0.00 O ATOM 1565 OD2 ASP A 102 123.057 -2.901 2.394 1.00 0.00 O ATOM 0 H ASP A 102 122.778 -6.394 5.373 1.00 0.00 H new ATOM 0 HA ASP A 102 122.161 -5.877 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.825 -4.262 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 102 124.441 -4.932 4.375 1.00 0.00 H new ATOM 1570 N ALA A 103 123.699 -8.052 2.117 1.00 0.00 N ATOM 1571 CA ALA A 103 124.694 -8.920 1.413 1.00 0.00 C ATOM 1572 C ALA A 103 125.905 -9.193 2.312 1.00 0.00 C ATOM 1573 O ALA A 103 126.017 -10.240 2.918 1.00 0.00 O ATOM 1574 CB ALA A 103 125.118 -8.140 0.166 1.00 0.00 C ATOM 0 H ALA A 103 122.768 -8.458 2.211 1.00 0.00 H new ATOM 0 HA ALA A 103 124.267 -9.889 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 103 125.848 -8.722 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 103 124.245 -7.951 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 103 125.563 -7.191 0.464 1.00 0.00 H new ATOM 1580 N TRP A 104 126.813 -8.255 2.403 1.00 0.00 N ATOM 1581 CA TRP A 104 128.021 -8.453 3.262 1.00 0.00 C ATOM 1582 C TRP A 104 127.599 -8.835 4.685 1.00 0.00 C ATOM 1583 O TRP A 104 128.172 -9.716 5.296 1.00 0.00 O ATOM 1584 CB TRP A 104 128.747 -7.103 3.270 1.00 0.00 C ATOM 1585 CG TRP A 104 128.934 -6.592 1.871 1.00 0.00 C ATOM 1586 CD1 TRP A 104 129.205 -5.304 1.556 1.00 0.00 C ATOM 1587 CD2 TRP A 104 128.867 -7.316 0.602 1.00 0.00 C ATOM 1588 NE1 TRP A 104 129.313 -5.190 0.182 1.00 0.00 N ATOM 1589 CE2 TRP A 104 129.113 -6.400 -0.450 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.622 -8.661 0.261 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 129.115 -6.802 -1.786 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 128.625 -9.066 -1.084 1.00 0.00 C ATOM 1593 CH2 TRP A 104 128.871 -8.139 -2.105 1.00 0.00 C ATOM 0 H TRP A 104 126.770 -7.358 1.919 1.00 0.00 H new ATOM 0 HA TRP A 104 128.659 -9.253 2.886 1.00 0.00 H new ATOM 0 HB2 TRP A 104 128.175 -6.381 3.853 1.00 0.00 H new ATOM 0 HB3 TRP A 104 129.717 -7.209 3.756 1.00 0.00 H new ATOM 0 HD1 TRP A 104 129.319 -4.496 2.263 1.00 0.00 H new ATOM 0 HE1 TRP A 104 129.516 -4.317 -0.305 1.00 0.00 H new ATOM 0 HE3 TRP A 104 128.431 -9.385 1.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 129.304 -6.083 -2.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 128.436 -10.100 -1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 104 128.872 -8.458 -3.137 1.00 0.00 H new ATOM 1604 N GLY A 105 126.600 -8.179 5.213 1.00 0.00 N ATOM 1605 CA GLY A 105 126.140 -8.503 6.594 1.00 0.00 C ATOM 1606 C GLY A 105 125.646 -7.231 7.291 1.00 0.00 C ATOM 1607 O GLY A 105 124.925 -7.291 8.268 1.00 0.00 O ATOM 0 H GLY A 105 126.083 -7.433 4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 105 125.339 -9.242 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 105 126.956 -8.947 7.164 1.00 0.00 H new ATOM 1611 N ARG A 106 126.028 -6.080 6.800 1.00 0.00 N ATOM 1612 CA ARG A 106 125.580 -4.806 7.439 1.00 0.00 C ATOM 1613 C ARG A 106 124.051 -4.758 7.527 1.00 0.00 C ATOM 1614 O ARG A 106 123.358 -4.880 6.537 1.00 0.00 O ATOM 1615 CB ARG A 106 126.097 -3.697 6.521 1.00 0.00 C ATOM 1616 CG ARG A 106 127.368 -3.083 7.117 1.00 0.00 C ATOM 1617 CD ARG A 106 127.051 -1.709 7.715 1.00 0.00 C ATOM 1618 NE ARG A 106 127.821 -0.738 6.886 1.00 0.00 N ATOM 1619 CZ ARG A 106 127.458 0.514 6.843 1.00 0.00 C ATOM 1620 NH1 ARG A 106 127.139 1.139 7.943 1.00 0.00 N ATOM 1621 NH2 ARG A 106 127.413 1.142 5.699 1.00 0.00 N ATOM 0 H ARG A 106 126.630 -5.967 5.985 1.00 0.00 H new ATOM 0 HA ARG A 106 125.958 -4.705 8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 106 126.307 -4.100 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 106 125.334 -2.929 6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 106 127.773 -3.740 7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 106 128.132 -2.986 6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 106 125.982 -1.499 7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 106 127.349 -1.657 8.762 1.00 0.00 H new ATOM 0 HE ARG A 106 128.631 -1.053 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 106 127.174 0.648 8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 106 126.855 2.118 7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 106 127.662 0.653 4.839 1.00 0.00 H new ATOM 0 HH22 ARG A 106 127.129 2.121 5.666 1.00 0.00 H new ATOM 1635 N LEU A 107 123.524 -4.577 8.709 1.00 0.00 N ATOM 1636 CA LEU A 107 122.041 -4.516 8.867 1.00 0.00 C ATOM 1637 C LEU A 107 121.531 -3.124 8.473 1.00 0.00 C ATOM 1638 O LEU A 107 122.311 -2.207 8.309 1.00 0.00 O ATOM 1639 CB LEU A 107 121.794 -4.780 10.354 1.00 0.00 C ATOM 1640 CG LEU A 107 121.817 -6.286 10.619 1.00 0.00 C ATOM 1641 CD1 LEU A 107 121.742 -6.539 12.127 1.00 0.00 C ATOM 1642 CD2 LEU A 107 120.617 -6.946 9.935 1.00 0.00 C ATOM 0 H LEU A 107 124.056 -4.469 9.572 1.00 0.00 H new ATOM 0 HA LEU A 107 121.522 -5.237 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 107 122.557 -4.283 10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 107 120.832 -4.363 10.653 1.00 0.00 H new ATOM 0 HG LEU A 107 122.740 -6.709 10.222 1.00 0.00 H new ATOM 0 HD11 LEU A 107 121.758 -7.612 12.317 1.00 0.00 H new ATOM 0 HD12 LEU A 107 122.595 -6.071 12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 107 120.819 -6.115 12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 107 120.635 -8.019 10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 107 119.694 -6.523 10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 107 120.666 -6.767 8.861 1.00 0.00 H new ATOM 1654 N PRO A 108 120.234 -3.007 8.338 1.00 0.00 N ATOM 1655 CA PRO A 108 119.628 -1.704 7.961 1.00 0.00 C ATOM 1656 C PRO A 108 119.770 -0.698 9.107 1.00 0.00 C ATOM 1657 O PRO A 108 119.788 0.499 8.893 1.00 0.00 O ATOM 1658 CB PRO A 108 118.162 -2.050 7.707 1.00 0.00 C ATOM 1659 CG PRO A 108 117.919 -3.291 8.501 1.00 0.00 C ATOM 1660 CD PRO A 108 119.217 -4.053 8.518 1.00 0.00 C ATOM 0 HA PRO A 108 120.103 -1.242 7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 108 117.504 -1.242 8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 108 117.973 -2.216 6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.600 -3.046 9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 108 117.125 -3.888 8.053 1.00 0.00 H new ATOM 0 HD2 PRO A 108 119.355 -4.589 9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.258 -4.794 7.719 1.00 0.00 H new ATOM 1668 N VAL A 109 119.879 -1.174 10.318 1.00 0.00 N ATOM 1669 CA VAL A 109 120.028 -0.243 11.475 1.00 0.00 C ATOM 1670 C VAL A 109 121.490 0.195 11.615 1.00 0.00 C ATOM 1671 O VAL A 109 121.787 1.229 12.181 1.00 0.00 O ATOM 1672 CB VAL A 109 119.581 -1.052 12.697 1.00 0.00 C ATOM 1673 CG1 VAL A 109 120.489 -2.274 12.877 1.00 0.00 C ATOM 1674 CG2 VAL A 109 119.660 -0.170 13.946 1.00 0.00 C ATOM 0 H VAL A 109 119.871 -2.166 10.557 1.00 0.00 H new ATOM 0 HA VAL A 109 119.438 0.666 11.356 1.00 0.00 H new ATOM 0 HB VAL A 109 118.555 -1.389 12.548 1.00 0.00 H new ATOM 0 HG11 VAL A 109 120.164 -2.843 13.748 1.00 0.00 H new ATOM 0 HG12 VAL A 109 120.431 -2.904 11.989 1.00 0.00 H new ATOM 0 HG13 VAL A 109 121.518 -1.945 13.022 1.00 0.00 H new ATOM 0 HG21 VAL A 109 119.342 -0.743 14.817 1.00 0.00 H new ATOM 0 HG22 VAL A 109 120.686 0.168 14.089 1.00 0.00 H new ATOM 0 HG23 VAL A 109 119.007 0.694 13.823 1.00 0.00 H new ATOM 1684 N ASP A 110 122.404 -0.586 11.099 1.00 0.00 N ATOM 1685 CA ASP A 110 123.848 -0.217 11.197 1.00 0.00 C ATOM 1686 C ASP A 110 124.132 1.034 10.361 1.00 0.00 C ATOM 1687 O ASP A 110 124.835 1.929 10.788 1.00 0.00 O ATOM 1688 CB ASP A 110 124.605 -1.421 10.635 1.00 0.00 C ATOM 1689 CG ASP A 110 125.966 -1.537 11.325 1.00 0.00 C ATOM 1690 OD1 ASP A 110 126.543 -0.506 11.629 1.00 0.00 O ATOM 1691 OD2 ASP A 110 126.407 -2.655 11.536 1.00 0.00 O ATOM 0 H ASP A 110 122.213 -1.463 10.614 1.00 0.00 H new ATOM 0 HA ASP A 110 124.147 0.010 12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 110 124.028 -2.332 10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 110 124.739 -1.309 9.559 1.00 0.00 H new ATOM 1696 N LEU A 111 123.592 1.101 9.173 1.00 0.00 N ATOM 1697 CA LEU A 111 123.830 2.295 8.309 1.00 0.00 C ATOM 1698 C LEU A 111 123.341 3.563 9.015 1.00 0.00 C ATOM 1699 O LEU A 111 123.888 4.633 8.839 1.00 0.00 O ATOM 1700 CB LEU A 111 123.013 2.042 7.040 1.00 0.00 C ATOM 1701 CG LEU A 111 123.789 1.104 6.107 1.00 0.00 C ATOM 1702 CD1 LEU A 111 123.065 -0.241 6.013 1.00 0.00 C ATOM 1703 CD2 LEU A 111 123.880 1.730 4.713 1.00 0.00 C ATOM 0 H LEU A 111 122.997 0.381 8.763 1.00 0.00 H new ATOM 0 HA LEU A 111 124.888 2.438 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 111 122.050 1.601 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 111 122.806 2.985 6.534 1.00 0.00 H new ATOM 0 HG LEU A 111 124.792 0.949 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 111 123.618 -0.906 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 111 123.000 -0.689 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 111 122.061 -0.087 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 111 124.432 1.063 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 111 122.876 1.886 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 111 124.397 2.687 4.777 1.00 0.00 H new ATOM 1715 N ALA A 112 122.316 3.446 9.816 1.00 0.00 N ATOM 1716 CA ALA A 112 121.788 4.640 10.538 1.00 0.00 C ATOM 1717 C ALA A 112 122.835 5.164 11.525 1.00 0.00 C ATOM 1718 O ALA A 112 123.340 6.261 11.382 1.00 0.00 O ATOM 1719 CB ALA A 112 120.552 4.139 11.285 1.00 0.00 C ATOM 0 H ALA A 112 121.821 2.574 10.002 1.00 0.00 H new ATOM 0 HA ALA A 112 121.549 5.460 9.861 1.00 0.00 H new ATOM 0 HB1 ALA A 112 120.105 4.962 11.842 1.00 0.00 H new ATOM 0 HB2 ALA A 112 119.828 3.750 10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 112 120.841 3.347 11.976 1.00 0.00 H new ATOM 1725 N GLU A 113 123.158 4.390 12.527 1.00 0.00 N ATOM 1726 CA GLU A 113 124.168 4.838 13.531 1.00 0.00 C ATOM 1727 C GLU A 113 125.453 5.301 12.833 1.00 0.00 C ATOM 1728 O GLU A 113 126.195 6.110 13.353 1.00 0.00 O ATOM 1729 CB GLU A 113 124.444 3.608 14.395 1.00 0.00 C ATOM 1730 CG GLU A 113 123.377 3.499 15.487 1.00 0.00 C ATOM 1731 CD GLU A 113 123.990 2.867 16.739 1.00 0.00 C ATOM 1732 OE1 GLU A 113 124.181 1.664 16.738 1.00 0.00 O ATOM 1733 OE2 GLU A 113 124.255 3.600 17.676 1.00 0.00 O ATOM 0 H GLU A 113 122.765 3.464 12.694 1.00 0.00 H new ATOM 0 HA GLU A 113 123.809 5.681 14.121 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.441 2.709 13.778 1.00 0.00 H new ATOM 0 HB3 GLU A 113 125.434 3.682 14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 113 122.980 4.487 15.722 1.00 0.00 H new ATOM 0 HG3 GLU A 113 122.541 2.895 15.134 1.00 0.00 H new ATOM 1740 N GLU A 114 125.720 4.789 11.660 1.00 0.00 N ATOM 1741 CA GLU A 114 126.957 5.196 10.930 1.00 0.00 C ATOM 1742 C GLU A 114 126.724 6.509 10.177 1.00 0.00 C ATOM 1743 O GLU A 114 127.558 7.394 10.184 1.00 0.00 O ATOM 1744 CB GLU A 114 127.232 4.056 9.950 1.00 0.00 C ATOM 1745 CG GLU A 114 128.702 4.090 9.527 1.00 0.00 C ATOM 1746 CD GLU A 114 128.850 4.932 8.259 1.00 0.00 C ATOM 1747 OE1 GLU A 114 129.041 6.130 8.385 1.00 0.00 O ATOM 1748 OE2 GLU A 114 128.769 4.363 7.182 1.00 0.00 O ATOM 0 H GLU A 114 125.136 4.107 11.176 1.00 0.00 H new ATOM 0 HA GLU A 114 127.796 5.365 11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 114 126.998 3.098 10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 114 126.589 4.151 9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 114 129.312 4.509 10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 114 129.063 3.077 9.348 1.00 0.00 H new ATOM 1755 N GLN A 115 125.598 6.643 9.527 1.00 0.00 N ATOM 1756 CA GLN A 115 125.315 7.900 8.773 1.00 0.00 C ATOM 1757 C GLN A 115 124.902 9.015 9.740 1.00 0.00 C ATOM 1758 O GLN A 115 125.684 9.889 10.064 1.00 0.00 O ATOM 1759 CB GLN A 115 124.163 7.551 7.829 1.00 0.00 C ATOM 1760 CG GLN A 115 124.724 7.098 6.477 1.00 0.00 C ATOM 1761 CD GLN A 115 124.619 5.576 6.361 1.00 0.00 C ATOM 1762 OE1 GLN A 115 123.561 5.049 6.080 1.00 0.00 O ATOM 1763 NE2 GLN A 115 125.677 4.843 6.569 1.00 0.00 N ATOM 0 H GLN A 115 124.863 5.937 9.486 1.00 0.00 H new ATOM 0 HA GLN A 115 126.188 8.259 8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 115 123.551 6.761 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 115 123.516 8.417 7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 115 124.173 7.573 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 115 125.764 7.409 6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 115 126.565 5.285 6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 115 125.616 3.827 6.496 1.00 0.00 H new ATOM 1772 N GLY A 116 123.679 8.993 10.204 1.00 0.00 N ATOM 1773 CA GLY A 116 123.218 10.052 11.148 1.00 0.00 C ATOM 1774 C GLY A 116 121.691 10.025 11.249 1.00 0.00 C ATOM 1775 O GLY A 116 121.042 11.053 11.235 1.00 0.00 O ATOM 0 H GLY A 116 122.981 8.287 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 116 123.660 9.893 12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 116 123.552 11.031 10.803 1.00 0.00 H new ATOM 1779 N HIS A 117 121.113 8.858 11.355 1.00 0.00 N ATOM 1780 CA HIS A 117 119.626 8.766 11.462 1.00 0.00 C ATOM 1781 C HIS A 117 119.241 8.144 12.806 1.00 0.00 C ATOM 1782 O HIS A 117 118.607 7.108 12.864 1.00 0.00 O ATOM 1783 CB HIS A 117 119.185 7.861 10.305 1.00 0.00 C ATOM 1784 CG HIS A 117 119.790 8.349 9.015 1.00 0.00 C ATOM 1785 ND1 HIS A 117 120.571 7.534 8.210 1.00 0.00 N ATOM 1786 CD2 HIS A 117 119.741 9.566 8.381 1.00 0.00 C ATOM 1787 CE1 HIS A 117 120.957 8.263 7.149 1.00 0.00 C ATOM 1788 NE2 HIS A 117 120.478 9.510 7.202 1.00 0.00 N ATOM 0 H HIS A 117 121.605 7.965 11.372 1.00 0.00 H new ATOM 0 HA HIS A 117 119.148 9.744 11.407 1.00 0.00 H new ATOM 0 HB2 HIS A 117 119.495 6.834 10.497 1.00 0.00 H new ATOM 0 HB3 HIS A 117 118.098 7.857 10.229 1.00 0.00 H new ATOM 0 HD2 HIS A 117 119.211 10.435 8.743 1.00 0.00 H new ATOM 0 HE1 HIS A 117 121.579 7.887 6.350 1.00 0.00 H new ATOM 0 HE2 HIS A 117 120.622 10.259 6.524 1.00 0.00 H new ATOM 1796 N ARG A 118 119.622 8.769 13.889 1.00 0.00 N ATOM 1797 CA ARG A 118 119.286 8.218 15.238 1.00 0.00 C ATOM 1798 C ARG A 118 117.792 7.891 15.329 1.00 0.00 C ATOM 1799 O ARG A 118 117.384 6.997 16.044 1.00 0.00 O ATOM 1800 CB ARG A 118 119.650 9.332 16.220 1.00 0.00 C ATOM 1801 CG ARG A 118 121.173 9.464 16.305 1.00 0.00 C ATOM 1802 CD ARG A 118 121.551 10.934 16.507 1.00 0.00 C ATOM 1803 NE ARG A 118 122.451 11.264 15.368 1.00 0.00 N ATOM 1804 CZ ARG A 118 122.289 12.379 14.710 1.00 0.00 C ATOM 1805 NH1 ARG A 118 121.090 12.763 14.364 1.00 0.00 N ATOM 1806 NH2 ARG A 118 123.323 13.112 14.400 1.00 0.00 N ATOM 0 H ARG A 118 120.153 9.640 13.899 1.00 0.00 H new ATOM 0 HA ARG A 118 119.823 7.293 15.448 1.00 0.00 H new ATOM 0 HB2 ARG A 118 119.211 10.275 15.895 1.00 0.00 H new ATOM 0 HB3 ARG A 118 119.238 9.111 17.205 1.00 0.00 H new ATOM 0 HG2 ARG A 118 121.555 8.863 17.131 1.00 0.00 H new ATOM 0 HG3 ARG A 118 121.633 9.082 15.394 1.00 0.00 H new ATOM 0 HD2 ARG A 118 120.667 11.572 16.508 1.00 0.00 H new ATOM 0 HD3 ARG A 118 122.053 11.084 17.463 1.00 0.00 H new ATOM 0 HE ARG A 118 123.194 10.618 15.102 1.00 0.00 H new ATOM 0 HH11 ARG A 118 120.281 12.192 14.608 1.00 0.00 H new ATOM 0 HH12 ARG A 118 120.962 13.634 13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 118 124.260 12.814 14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 118 123.195 13.983 13.886 1.00 0.00 H new ATOM 1820 N ASP A 119 116.974 8.609 14.607 1.00 0.00 N ATOM 1821 CA ASP A 119 115.506 8.343 14.647 1.00 0.00 C ATOM 1822 C ASP A 119 115.191 7.009 13.964 1.00 0.00 C ATOM 1823 O ASP A 119 114.348 6.255 14.411 1.00 0.00 O ATOM 1824 CB ASP A 119 114.871 9.504 13.878 1.00 0.00 C ATOM 1825 CG ASP A 119 113.378 9.574 14.198 1.00 0.00 C ATOM 1826 OD1 ASP A 119 113.020 9.295 15.331 1.00 0.00 O ATOM 1827 OD2 ASP A 119 112.616 9.907 13.304 1.00 0.00 O ATOM 0 H ASP A 119 117.259 9.370 13.990 1.00 0.00 H new ATOM 0 HA ASP A 119 115.126 8.274 15.666 1.00 0.00 H new ATOM 0 HB2 ASP A 119 115.356 10.442 14.149 1.00 0.00 H new ATOM 0 HB3 ASP A 119 115.018 9.368 12.807 1.00 0.00 H new ATOM 1832 N ILE A 120 115.862 6.713 12.882 1.00 0.00 N ATOM 1833 CA ILE A 120 115.602 5.430 12.168 1.00 0.00 C ATOM 1834 C ILE A 120 116.230 4.258 12.935 1.00 0.00 C ATOM 1835 O ILE A 120 115.695 3.168 12.965 1.00 0.00 O ATOM 1836 CB ILE A 120 116.243 5.611 10.783 1.00 0.00 C ATOM 1837 CG1 ILE A 120 115.363 4.939 9.726 1.00 0.00 C ATOM 1838 CG2 ILE A 120 117.645 4.988 10.748 1.00 0.00 C ATOM 1839 CD1 ILE A 120 114.594 6.007 8.945 1.00 0.00 C ATOM 0 H ILE A 120 116.579 7.305 12.462 1.00 0.00 H new ATOM 0 HA ILE A 120 114.539 5.202 12.086 1.00 0.00 H new ATOM 0 HB ILE A 120 116.330 6.677 10.575 1.00 0.00 H new ATOM 0 HG12 ILE A 120 115.979 4.350 9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 120 114.666 4.250 10.203 1.00 0.00 H new ATOM 0 HG21 ILE A 120 118.081 5.127 9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 120 118.276 5.471 11.494 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.575 3.922 10.967 1.00 0.00 H new ATOM 0 HD11 ILE A 120 113.968 5.527 8.193 1.00 0.00 H new ATOM 0 HD12 ILE A 120 113.966 6.577 9.630 1.00 0.00 H new ATOM 0 HD13 ILE A 120 115.300 6.678 8.455 1.00 0.00 H new ATOM 1851 N ALA A 121 117.360 4.478 13.550 1.00 0.00 N ATOM 1852 CA ALA A 121 118.022 3.378 14.311 1.00 0.00 C ATOM 1853 C ALA A 121 117.136 2.943 15.481 1.00 0.00 C ATOM 1854 O ALA A 121 117.163 1.802 15.901 1.00 0.00 O ATOM 1855 CB ALA A 121 119.332 3.976 14.823 1.00 0.00 C ATOM 0 H ALA A 121 117.854 5.371 13.559 1.00 0.00 H new ATOM 0 HA ALA A 121 118.195 2.496 13.695 1.00 0.00 H new ATOM 0 HB1 ALA A 121 119.876 3.224 15.394 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.939 4.300 13.978 1.00 0.00 H new ATOM 0 HB3 ALA A 121 119.116 4.832 15.463 1.00 0.00 H new ATOM 1861 N ARG A 122 116.349 3.842 16.008 1.00 0.00 N ATOM 1862 CA ARG A 122 115.459 3.480 17.150 1.00 0.00 C ATOM 1863 C ARG A 122 114.291 2.624 16.654 1.00 0.00 C ATOM 1864 O ARG A 122 114.061 1.533 17.138 1.00 0.00 O ATOM 1865 CB ARG A 122 114.950 4.813 17.700 1.00 0.00 C ATOM 1866 CG ARG A 122 116.072 5.510 18.473 1.00 0.00 C ATOM 1867 CD ARG A 122 115.573 6.864 18.985 1.00 0.00 C ATOM 1868 NE ARG A 122 116.658 7.364 19.875 1.00 0.00 N ATOM 1869 CZ ARG A 122 116.862 6.805 21.038 1.00 0.00 C ATOM 1870 NH1 ARG A 122 115.852 6.521 21.813 1.00 0.00 N ATOM 1871 NH2 ARG A 122 118.078 6.533 21.424 1.00 0.00 N ATOM 0 H ARG A 122 116.284 4.811 15.698 1.00 0.00 H new ATOM 0 HA ARG A 122 115.981 2.901 17.912 1.00 0.00 H new ATOM 0 HB2 ARG A 122 114.608 5.448 16.883 1.00 0.00 H new ATOM 0 HB3 ARG A 122 114.094 4.645 18.353 1.00 0.00 H new ATOM 0 HG2 ARG A 122 116.393 4.889 19.309 1.00 0.00 H new ATOM 0 HG3 ARG A 122 116.940 5.650 17.829 1.00 0.00 H new ATOM 0 HD2 ARG A 122 115.389 7.554 18.161 1.00 0.00 H new ATOM 0 HD3 ARG A 122 114.634 6.759 19.528 1.00 0.00 H new ATOM 0 HE ARG A 122 117.243 8.144 19.576 1.00 0.00 H new ATOM 0 HH11 ARG A 122 114.902 6.735 21.511 1.00 0.00 H new ATOM 0 HH12 ARG A 122 116.013 6.085 22.721 1.00 0.00 H new ATOM 0 HH21 ARG A 122 118.867 6.757 20.818 1.00 0.00 H new ATOM 0 HH22 ARG A 122 118.239 6.097 22.332 1.00 0.00 H new ATOM 1885 N TYR A 123 113.553 3.109 15.691 1.00 0.00 N ATOM 1886 CA TYR A 123 112.401 2.321 15.164 1.00 0.00 C ATOM 1887 C TYR A 123 112.902 1.030 14.510 1.00 0.00 C ATOM 1888 O TYR A 123 112.272 -0.006 14.598 1.00 0.00 O ATOM 1889 CB TYR A 123 111.738 3.226 14.123 1.00 0.00 C ATOM 1890 CG TYR A 123 110.506 2.524 13.549 1.00 0.00 C ATOM 1891 CD1 TYR A 123 110.074 1.223 13.212 1.00 0.00 C ATOM 1892 CD2 TYR A 123 110.894 1.748 12.409 1.00 0.00 C ATOM 1893 CE1 TYR A 123 110.374 1.873 12.015 1.00 0.00 C ATOM 1894 CE2 TYR A 123 109.631 1.350 12.846 1.00 0.00 C ATOM 1895 CZ TYR A 123 109.661 2.755 12.887 1.00 0.00 C ATOM 1896 OH TYR A 123 109.214 3.837 12.139 1.00 0.00 O ATOM 0 H TYR A 123 113.698 4.016 15.247 1.00 0.00 H new ATOM 0 HA TYR A 123 111.705 2.032 15.952 1.00 0.00 H new ATOM 0 HB2 TYR A 123 111.451 4.173 14.579 1.00 0.00 H new ATOM 0 HB3 TYR A 123 112.443 3.457 13.325 1.00 0.00 H new ATOM 0 HD1 TYR A 123 109.724 0.290 13.628 1.00 0.00 H new ATOM 0 HD2 TYR A 123 111.670 1.579 11.677 1.00 0.00 H new ATOM 0 HE1 TYR A 123 110.844 1.774 11.048 1.00 0.00 H new ATOM 0 HE2 TYR A 123 109.009 0.488 13.037 1.00 0.00 H new ATOM 0 HH TYR A 123 108.722 4.455 12.719 1.00 0.00 H new ATOM 1906 N LEU A 124 114.031 1.086 13.855 1.00 0.00 N ATOM 1907 CA LEU A 124 114.575 -0.138 13.194 1.00 0.00 C ATOM 1908 C LEU A 124 114.798 -1.245 14.228 1.00 0.00 C ATOM 1909 O LEU A 124 114.190 -2.294 14.166 1.00 0.00 O ATOM 1910 CB LEU A 124 115.905 0.298 12.579 1.00 0.00 C ATOM 1911 CG LEU A 124 115.653 0.902 11.197 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.956 1.485 10.647 1.00 0.00 C ATOM 1913 CD2 LEU A 124 115.145 -0.189 10.252 1.00 0.00 C ATOM 0 H LEU A 124 114.600 1.926 13.749 1.00 0.00 H new ATOM 0 HA LEU A 124 113.892 -0.538 12.444 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.394 1.029 13.223 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.578 -0.556 12.498 1.00 0.00 H new ATOM 0 HG LEU A 124 114.908 1.693 11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 124 116.775 1.915 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 124 117.320 2.261 11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 124 117.703 0.695 10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 124 114.964 0.239 9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.892 -0.979 10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.216 -0.605 10.642 1.00 0.00 H new ATOM 1925 N HIS A 125 115.664 -1.016 15.181 1.00 0.00 N ATOM 1926 CA HIS A 125 115.929 -2.053 16.225 1.00 0.00 C ATOM 1927 C HIS A 125 114.611 -2.541 16.837 1.00 0.00 C ATOM 1928 O HIS A 125 114.515 -3.652 17.321 1.00 0.00 O ATOM 1929 CB HIS A 125 116.781 -1.346 17.279 1.00 0.00 C ATOM 1930 CG HIS A 125 117.362 -2.363 18.222 1.00 0.00 C ATOM 1931 ND1 HIS A 125 118.465 -3.135 17.890 1.00 0.00 N ATOM 1932 CD2 HIS A 125 117.006 -2.744 19.493 1.00 0.00 C ATOM 1933 CE1 HIS A 125 118.732 -3.933 18.940 1.00 0.00 C ATOM 1934 NE2 HIS A 125 117.873 -3.736 19.944 1.00 0.00 N ATOM 0 H HIS A 125 116.200 -0.154 15.282 1.00 0.00 H new ATOM 0 HA HIS A 125 116.431 -2.930 15.816 1.00 0.00 H new ATOM 0 HB2 HIS A 125 117.581 -0.783 16.797 1.00 0.00 H new ATOM 0 HB3 HIS A 125 116.174 -0.628 17.831 1.00 0.00 H new ATOM 0 HD2 HIS A 125 116.180 -2.336 20.056 1.00 0.00 H new ATOM 0 HE1 HIS A 125 119.542 -4.646 18.968 1.00 0.00 H new ATOM 0 HE2 HIS A 125 117.856 -4.210 20.847 1.00 0.00 H new ATOM 1942 N ALA A 126 113.596 -1.719 16.814 1.00 0.00 N ATOM 1943 CA ALA A 126 112.282 -2.134 17.387 1.00 0.00 C ATOM 1944 C ALA A 126 111.558 -3.073 16.419 1.00 0.00 C ATOM 1945 O ALA A 126 110.923 -4.028 16.822 1.00 0.00 O ATOM 1946 CB ALA A 126 111.498 -0.833 17.563 1.00 0.00 C ATOM 0 H ALA A 126 113.620 -0.777 16.423 1.00 0.00 H new ATOM 0 HA ALA A 126 112.392 -2.672 18.328 1.00 0.00 H new ATOM 0 HB1 ALA A 126 110.516 -1.054 17.982 1.00 0.00 H new ATOM 0 HB2 ALA A 126 112.040 -0.170 18.238 1.00 0.00 H new ATOM 0 HB3 ALA A 126 111.379 -0.346 16.595 1.00 0.00 H new ATOM 1952 N ALA A 127 111.651 -2.809 15.142 1.00 0.00 N ATOM 1953 CA ALA A 127 110.970 -3.685 14.143 1.00 0.00 C ATOM 1954 C ALA A 127 112.009 -4.433 13.302 1.00 0.00 C ATOM 1955 O ALA A 127 111.770 -4.767 12.157 1.00 0.00 O ATOM 1956 CB ALA A 127 110.156 -2.732 13.267 1.00 0.00 C ATOM 0 H ALA A 127 112.169 -2.024 14.747 1.00 0.00 H new ATOM 0 HA ALA A 127 110.341 -4.439 14.616 1.00 0.00 H new ATOM 0 HB1 ALA A 127 109.624 -3.302 12.505 1.00 0.00 H new ATOM 0 HB2 ALA A 127 109.437 -2.194 13.885 1.00 0.00 H new ATOM 0 HB3 ALA A 127 110.825 -2.019 12.785 1.00 0.00 H new ATOM 1962 N THR A 128 113.158 -4.698 13.862 1.00 0.00 N ATOM 1963 CA THR A 128 114.215 -5.425 13.102 1.00 0.00 C ATOM 1964 C THR A 128 114.821 -6.527 13.977 1.00 0.00 C ATOM 1965 O THR A 128 116.023 -6.701 14.033 1.00 0.00 O ATOM 1966 CB THR A 128 115.260 -4.359 12.762 1.00 0.00 C ATOM 1967 OG1 THR A 128 114.656 -3.344 11.973 1.00 0.00 O ATOM 1968 CG2 THR A 128 116.412 -4.992 11.980 1.00 0.00 C ATOM 0 H THR A 128 113.411 -4.441 14.816 1.00 0.00 H new ATOM 0 HA THR A 128 113.829 -5.910 12.205 1.00 0.00 H new ATOM 0 HB THR A 128 115.647 -3.927 13.685 1.00 0.00 H new ATOM 0 HG1 THR A 128 114.059 -2.806 12.534 1.00 0.00 H new ATOM 0 HG21 THR A 128 117.152 -4.229 11.741 1.00 0.00 H new ATOM 0 HG22 THR A 128 116.877 -5.772 12.584 1.00 0.00 H new ATOM 0 HG23 THR A 128 116.029 -5.428 11.057 1.00 0.00 H new ATOM 1976 N GLY A 129 113.994 -7.269 14.660 1.00 0.00 N ATOM 1977 CA GLY A 129 114.512 -8.361 15.533 1.00 0.00 C ATOM 1978 C GLY A 129 114.743 -7.822 16.945 1.00 0.00 C ATOM 1979 O GLY A 129 115.615 -8.278 17.657 1.00 0.00 O ATOM 0 H GLY A 129 112.979 -7.166 14.652 1.00 0.00 H new ATOM 0 HA2 GLY A 129 113.801 -9.187 15.560 1.00 0.00 H new ATOM 0 HA3 GLY A 129 115.443 -8.755 15.126 1.00 0.00 H new ATOM 1983 N ASP A 130 113.966 -6.851 17.356 1.00 0.00 N ATOM 1984 CA ASP A 130 114.138 -6.276 18.722 1.00 0.00 C ATOM 1985 C ASP A 130 114.149 -7.388 19.777 1.00 0.00 C ATOM 1986 O ASP A 130 113.076 -7.794 20.192 1.00 0.00 O ATOM 1987 CB ASP A 130 112.928 -5.362 18.923 1.00 0.00 C ATOM 1988 CG ASP A 130 113.218 -4.374 20.055 1.00 0.00 C ATOM 1989 OD1 ASP A 130 114.352 -3.937 20.157 1.00 0.00 O ATOM 1990 OD2 ASP A 130 112.301 -4.071 20.801 1.00 0.00 O ATOM 1991 OXT ASP A 130 115.230 -7.813 20.150 1.00 0.00 O ATOM 0 H ASP A 130 113.219 -6.432 16.802 1.00 0.00 H new ATOM 0 HA ASP A 130 115.081 -5.738 18.823 1.00 0.00 H new ATOM 0 HB2 ASP A 130 112.710 -4.822 18.002 1.00 0.00 H new ATOM 0 HB3 ASP A 130 112.046 -5.956 19.161 1.00 0.00 H new TER 1996 ASP A 130