USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 67 SER OG : rot -3:sc= 0.204 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 137:sc= -0.0578 (180deg=-0.25) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.77 K(o=-0.8,f=-0.16) USER MOD Set 2.2: A 32 MET CE :methyl -130:sc= -0.0343 (180deg=-0.312) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.22 (180deg=0.752) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-0.76) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 164:sc= -0.0742 (180deg=-0.43) USER MOD Single : A 13 ASN : amide:sc=-0.000483 X(o=-0.00048,f=-0.024) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -40:sc= -0.0462 USER MOD Single : A 23 MET CE :methyl -164:sc= -0.0333 (180deg=-0.34) USER MOD Single : A 25 CYS SG : rot -145:sc= 0.479 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 73:sc= 1.05 USER MOD Single : A 38 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 45 HIS : no HE2:sc= -0.559 K(o=-0.56,f=-2.3!) USER MOD Single : A 47 ASN : amide:sc= -0.125 K(o=-0.13,f=-3.5!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 34:sc= 0.319 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.14) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0638 K(o=-0.064,f=-0.8) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0336) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -100.529 -67.443 -9.888 1.00 65.31 N ATOM 2 CA MET A 1 -99.826 -66.783 -8.764 1.00 12.41 C ATOM 3 C MET A 1 -98.319 -67.065 -8.861 1.00 54.34 C ATOM 4 O MET A 1 -97.907 -68.188 -9.180 1.00 44.23 O ATOM 5 CB MET A 1 -100.397 -67.262 -7.398 1.00 10.12 C ATOM 6 CG MET A 1 -101.840 -66.800 -7.108 1.00 54.41 C ATOM 7 SD MET A 1 -103.033 -67.380 -8.335 1.00 53.01 S ATOM 8 CE MET A 1 -104.547 -66.591 -7.776 1.00 64.21 C ATOM 0 H1 MET A 1 -101.543 -67.517 -9.668 1.00 65.31 H new ATOM 0 H2 MET A 1 -100.403 -66.881 -10.754 1.00 65.31 H new ATOM 0 H3 MET A 1 -100.136 -68.395 -10.032 1.00 65.31 H new ATOM 0 HA MET A 1 -99.986 -65.707 -8.828 1.00 12.41 H new ATOM 0 HB2 MET A 1 -100.365 -68.351 -7.368 1.00 10.12 H new ATOM 0 HB3 MET A 1 -99.747 -66.902 -6.601 1.00 10.12 H new ATOM 0 HG2 MET A 1 -102.138 -67.158 -6.123 1.00 54.41 H new ATOM 0 HG3 MET A 1 -101.866 -65.711 -7.072 1.00 54.41 H new ATOM 0 HE1 MET A 1 -105.366 -66.862 -8.442 1.00 64.21 H new ATOM 0 HE2 MET A 1 -104.778 -66.923 -6.764 1.00 64.21 H new ATOM 0 HE3 MET A 1 -104.417 -65.509 -7.783 1.00 64.21 H new ATOM 20 N GLY A 2 -97.511 -66.029 -8.585 1.00 44.55 N ATOM 21 CA GLY A 2 -96.057 -66.095 -8.694 1.00 14.14 C ATOM 22 C GLY A 2 -95.514 -64.821 -9.315 1.00 1.25 C ATOM 23 O GLY A 2 -95.635 -63.753 -8.710 1.00 65.11 O ATOM 0 H GLY A 2 -97.857 -65.120 -8.279 1.00 44.55 H new ATOM 0 HA2 GLY A 2 -95.618 -66.241 -7.707 1.00 14.14 H new ATOM 0 HA3 GLY A 2 -95.770 -66.954 -9.301 1.00 14.14 H new ATOM 27 N HIS A 3 -94.957 -64.942 -10.540 1.00 72.14 N ATOM 28 CA HIS A 3 -94.381 -63.822 -11.322 1.00 44.44 C ATOM 29 C HIS A 3 -93.287 -63.083 -10.521 1.00 11.40 C ATOM 30 O HIS A 3 -93.541 -62.045 -9.891 1.00 15.14 O ATOM 31 CB HIS A 3 -95.476 -62.830 -11.823 1.00 43.40 C ATOM 32 CG HIS A 3 -96.554 -63.458 -12.672 1.00 44.44 C ATOM 33 ND1 HIS A 3 -97.837 -63.670 -12.217 1.00 2.54 N ATOM 34 CD2 HIS A 3 -96.538 -63.903 -13.954 1.00 4.13 C ATOM 35 CE1 HIS A 3 -98.559 -64.216 -13.176 1.00 43.01 C ATOM 36 NE2 HIS A 3 -97.796 -64.367 -14.238 1.00 74.12 N ATOM 0 H HIS A 3 -94.893 -65.838 -11.024 1.00 72.14 H new ATOM 0 HA HIS A 3 -93.916 -64.259 -12.205 1.00 44.44 H new ATOM 0 HB2 HIS A 3 -95.942 -62.358 -10.958 1.00 43.40 H new ATOM 0 HB3 HIS A 3 -94.995 -62.039 -12.398 1.00 43.40 H new ATOM 0 HD2 HIS A 3 -95.692 -63.893 -14.625 1.00 4.13 H new ATOM 0 HE1 HIS A 3 -99.600 -64.493 -13.102 1.00 43.01 H new ATOM 0 HE2 HIS A 3 -98.093 -64.765 -15.129 1.00 74.12 H new ATOM 45 N HIS A 4 -92.077 -63.660 -10.520 1.00 73.54 N ATOM 46 CA HIS A 4 -90.898 -63.099 -9.820 1.00 2.21 C ATOM 47 C HIS A 4 -89.807 -62.742 -10.835 1.00 51.12 C ATOM 48 O HIS A 4 -89.206 -61.661 -10.757 1.00 73.40 O ATOM 49 CB HIS A 4 -90.357 -64.115 -8.779 1.00 61.35 C ATOM 50 CG HIS A 4 -91.296 -64.373 -7.626 1.00 3.33 C ATOM 51 ND1 HIS A 4 -92.077 -65.508 -7.520 1.00 72.31 N ATOM 52 CD2 HIS A 4 -91.572 -63.631 -6.527 1.00 14.42 C ATOM 53 CE1 HIS A 4 -92.791 -65.446 -6.413 1.00 24.13 C ATOM 54 NE2 HIS A 4 -92.499 -64.320 -5.794 1.00 53.14 N ATOM 0 H HIS A 4 -91.881 -64.535 -11.006 1.00 73.54 H new ATOM 0 HA HIS A 4 -91.198 -62.192 -9.294 1.00 2.21 H new ATOM 0 HB2 HIS A 4 -90.149 -65.059 -9.283 1.00 61.35 H new ATOM 0 HB3 HIS A 4 -89.409 -63.747 -8.387 1.00 61.35 H new ATOM 0 HD2 HIS A 4 -91.140 -62.673 -6.276 1.00 14.42 H new ATOM 0 HE1 HIS A 4 -93.495 -66.191 -6.072 1.00 24.13 H new ATOM 0 HE2 HIS A 4 -92.900 -64.011 -4.909 1.00 53.14 H new ATOM 63 N HIS A 5 -89.569 -63.681 -11.781 1.00 11.12 N ATOM 64 CA HIS A 5 -88.554 -63.566 -12.863 1.00 52.30 C ATOM 65 C HIS A 5 -87.108 -63.538 -12.308 1.00 2.25 C ATOM 66 O HIS A 5 -86.887 -63.383 -11.101 1.00 75.11 O ATOM 67 CB HIS A 5 -88.823 -62.337 -13.776 1.00 70.44 C ATOM 68 CG HIS A 5 -90.142 -62.371 -14.501 1.00 40.15 C ATOM 69 ND1 HIS A 5 -91.219 -61.584 -14.145 1.00 4.04 N ATOM 70 CD2 HIS A 5 -90.550 -63.099 -15.572 1.00 14.32 C ATOM 71 CE1 HIS A 5 -92.226 -61.828 -14.962 1.00 52.51 C ATOM 72 NE2 HIS A 5 -91.846 -62.741 -15.837 1.00 54.43 N ATOM 0 H HIS A 5 -90.086 -64.559 -11.817 1.00 11.12 H new ATOM 0 HA HIS A 5 -88.650 -64.463 -13.474 1.00 52.30 H new ATOM 0 HB2 HIS A 5 -88.781 -61.433 -13.168 1.00 70.44 H new ATOM 0 HB3 HIS A 5 -88.021 -62.265 -14.511 1.00 70.44 H new ATOM 0 HD2 HIS A 5 -89.962 -63.825 -16.114 1.00 14.32 H new ATOM 0 HE1 HIS A 5 -93.198 -61.359 -14.922 1.00 52.51 H new ATOM 0 HE2 HIS A 5 -92.423 -63.119 -16.588 1.00 54.43 H new ATOM 81 N HIS A 6 -86.126 -63.718 -13.206 1.00 70.45 N ATOM 82 CA HIS A 6 -84.695 -63.692 -12.841 1.00 35.25 C ATOM 83 C HIS A 6 -84.184 -62.239 -12.822 1.00 53.04 C ATOM 84 O HIS A 6 -83.453 -61.844 -11.906 1.00 10.31 O ATOM 85 CB HIS A 6 -83.866 -64.549 -13.840 1.00 11.51 C ATOM 86 CG HIS A 6 -82.393 -64.664 -13.505 1.00 1.14 C ATOM 87 ND1 HIS A 6 -81.404 -64.712 -14.459 1.00 41.03 N ATOM 88 CD2 HIS A 6 -81.753 -64.747 -12.311 1.00 30.45 C ATOM 89 CE1 HIS A 6 -80.231 -64.816 -13.869 1.00 3.41 C ATOM 90 NE2 HIS A 6 -80.415 -64.839 -12.567 1.00 31.42 N ATOM 0 H HIS A 6 -86.296 -63.884 -14.198 1.00 70.45 H new ATOM 0 HA HIS A 6 -84.577 -64.118 -11.845 1.00 35.25 H new ATOM 0 HB2 HIS A 6 -84.295 -65.550 -13.881 1.00 11.51 H new ATOM 0 HB3 HIS A 6 -83.965 -64.119 -14.836 1.00 11.51 H new ATOM 0 HD2 HIS A 6 -82.217 -64.741 -11.336 1.00 30.45 H new ATOM 0 HE1 HIS A 6 -79.277 -64.873 -14.371 1.00 3.41 H new ATOM 0 HE2 HIS A 6 -79.679 -64.913 -11.864 1.00 31.42 H new ATOM 99 N HIS A 7 -84.595 -61.474 -13.855 1.00 20.14 N ATOM 100 CA HIS A 7 -84.159 -60.081 -14.092 1.00 4.20 C ATOM 101 C HIS A 7 -82.626 -60.017 -14.269 1.00 60.53 C ATOM 102 O HIS A 7 -81.885 -59.686 -13.330 1.00 70.40 O ATOM 103 CB HIS A 7 -84.667 -59.108 -12.971 1.00 54.44 C ATOM 104 CG HIS A 7 -84.455 -57.638 -13.273 1.00 51.24 C ATOM 105 ND1 HIS A 7 -85.351 -56.888 -14.005 1.00 25.22 N ATOM 106 CD2 HIS A 7 -83.451 -56.787 -12.938 1.00 40.03 C ATOM 107 CE1 HIS A 7 -84.906 -55.652 -14.112 1.00 53.32 C ATOM 108 NE2 HIS A 7 -83.758 -55.564 -13.473 1.00 13.10 N ATOM 0 H HIS A 7 -85.250 -61.812 -14.560 1.00 20.14 H new ATOM 0 HA HIS A 7 -84.616 -59.739 -15.021 1.00 4.20 H new ATOM 0 HB2 HIS A 7 -85.731 -59.283 -12.810 1.00 54.44 H new ATOM 0 HB3 HIS A 7 -84.159 -59.352 -12.038 1.00 54.44 H new ATOM 0 HD2 HIS A 7 -82.573 -57.030 -12.357 1.00 40.03 H new ATOM 0 HE1 HIS A 7 -85.400 -54.847 -14.636 1.00 53.32 H new ATOM 0 HE2 HIS A 7 -83.189 -54.721 -13.390 1.00 13.10 H new ATOM 117 N HIS A 8 -82.163 -60.396 -15.474 1.00 32.42 N ATOM 118 CA HIS A 8 -80.736 -60.397 -15.829 1.00 22.31 C ATOM 119 C HIS A 8 -80.467 -59.354 -16.919 1.00 5.33 C ATOM 120 O HIS A 8 -81.110 -59.365 -17.974 1.00 41.12 O ATOM 121 CB HIS A 8 -80.272 -61.794 -16.312 1.00 0.21 C ATOM 122 CG HIS A 8 -78.787 -61.863 -16.588 1.00 23.03 C ATOM 123 ND1 HIS A 8 -78.235 -61.611 -17.823 1.00 72.25 N ATOM 124 CD2 HIS A 8 -77.746 -62.116 -15.761 1.00 11.24 C ATOM 125 CE1 HIS A 8 -76.925 -61.708 -17.743 1.00 21.33 C ATOM 126 NE2 HIS A 8 -76.600 -62.013 -16.500 1.00 52.43 N ATOM 0 H HIS A 8 -82.772 -60.711 -16.230 1.00 32.42 H new ATOM 0 HA HIS A 8 -80.168 -60.144 -14.933 1.00 22.31 H new ATOM 0 HB2 HIS A 8 -80.530 -62.537 -15.557 1.00 0.21 H new ATOM 0 HB3 HIS A 8 -80.817 -62.058 -17.219 1.00 0.21 H new ATOM 0 HD2 HIS A 8 -77.809 -62.355 -14.710 1.00 11.24 H new ATOM 0 HE1 HIS A 8 -76.231 -61.562 -18.558 1.00 21.33 H new ATOM 0 HE2 HIS A 8 -75.652 -62.149 -16.149 1.00 52.43 H new ATOM 135 N SER A 9 -79.512 -58.463 -16.641 1.00 13.22 N ATOM 136 CA SER A 9 -79.027 -57.458 -17.591 1.00 21.10 C ATOM 137 C SER A 9 -77.518 -57.647 -17.803 1.00 23.45 C ATOM 138 O SER A 9 -77.071 -57.925 -18.923 1.00 13.05 O ATOM 139 CB SER A 9 -79.342 -56.035 -17.055 1.00 51.03 C ATOM 140 OG SER A 9 -78.855 -55.017 -17.917 1.00 32.43 O ATOM 0 H SER A 9 -79.046 -58.419 -15.735 1.00 13.22 H new ATOM 0 HA SER A 9 -79.530 -57.579 -18.550 1.00 21.10 H new ATOM 0 HB2 SER A 9 -80.420 -55.924 -16.937 1.00 51.03 H new ATOM 0 HB3 SER A 9 -78.899 -55.915 -16.067 1.00 51.03 H new ATOM 0 HG SER A 9 -79.076 -54.138 -17.543 1.00 32.43 H new ATOM 146 N HIS A 10 -76.760 -57.540 -16.688 1.00 3.21 N ATOM 147 CA HIS A 10 -75.285 -57.497 -16.673 1.00 53.20 C ATOM 148 C HIS A 10 -74.779 -56.285 -17.482 1.00 15.14 C ATOM 149 O HIS A 10 -74.515 -56.397 -18.682 1.00 14.22 O ATOM 150 CB HIS A 10 -74.635 -58.839 -17.155 1.00 61.33 C ATOM 151 CG HIS A 10 -73.122 -58.852 -17.135 1.00 11.20 C ATOM 152 ND1 HIS A 10 -72.387 -59.129 -16.004 1.00 54.42 N ATOM 153 CD2 HIS A 10 -72.214 -58.606 -18.114 1.00 61.31 C ATOM 154 CE1 HIS A 10 -71.102 -59.049 -16.285 1.00 71.54 C ATOM 155 NE2 HIS A 10 -70.969 -58.735 -17.560 1.00 3.13 N ATOM 0 H HIS A 10 -77.168 -57.480 -15.755 1.00 3.21 H new ATOM 0 HA HIS A 10 -74.969 -57.374 -15.637 1.00 53.20 H new ATOM 0 HB2 HIS A 10 -75.000 -59.650 -16.525 1.00 61.33 H new ATOM 0 HB3 HIS A 10 -74.973 -59.047 -18.170 1.00 61.33 H new ATOM 0 HD2 HIS A 10 -72.434 -58.355 -19.141 1.00 61.31 H new ATOM 0 HE1 HIS A 10 -70.293 -59.213 -15.588 1.00 71.54 H new ATOM 0 HE2 HIS A 10 -70.084 -58.609 -18.052 1.00 3.13 H new ATOM 164 N MET A 11 -74.701 -55.118 -16.827 1.00 62.00 N ATOM 165 CA MET A 11 -74.184 -53.875 -17.431 1.00 2.43 C ATOM 166 C MET A 11 -72.730 -53.652 -16.938 1.00 31.20 C ATOM 167 O MET A 11 -72.533 -53.150 -15.829 1.00 40.23 O ATOM 168 CB MET A 11 -75.116 -52.683 -17.056 1.00 14.53 C ATOM 169 CG MET A 11 -74.701 -51.317 -17.628 1.00 43.53 C ATOM 170 SD MET A 11 -75.843 -49.987 -17.171 1.00 24.42 S ATOM 171 CE MET A 11 -75.742 -49.988 -15.383 1.00 44.43 C ATOM 0 H MET A 11 -74.996 -55.006 -15.857 1.00 62.00 H new ATOM 0 HA MET A 11 -74.172 -53.949 -18.518 1.00 2.43 H new ATOM 0 HB2 MET A 11 -76.125 -52.911 -17.400 1.00 14.53 H new ATOM 0 HB3 MET A 11 -75.159 -52.605 -15.970 1.00 14.53 H new ATOM 0 HG2 MET A 11 -73.701 -51.069 -17.273 1.00 43.53 H new ATOM 0 HG3 MET A 11 -74.646 -51.385 -18.714 1.00 43.53 H new ATOM 0 HE1 MET A 11 -76.159 -49.059 -14.995 1.00 44.43 H new ATOM 0 HE2 MET A 11 -76.306 -50.832 -14.987 1.00 44.43 H new ATOM 0 HE3 MET A 11 -74.699 -50.074 -15.078 1.00 44.43 H new ATOM 181 N PRO A 12 -71.686 -54.096 -17.722 1.00 73.10 N ATOM 182 CA PRO A 12 -70.265 -54.013 -17.300 1.00 62.23 C ATOM 183 C PRO A 12 -69.603 -52.658 -17.673 1.00 35.21 C ATOM 184 O PRO A 12 -69.771 -52.165 -18.790 1.00 20.45 O ATOM 185 CB PRO A 12 -69.648 -55.207 -18.068 1.00 35.33 C ATOM 186 CG PRO A 12 -70.411 -55.264 -19.368 1.00 24.32 C ATOM 187 CD PRO A 12 -71.805 -54.713 -19.078 1.00 13.13 C ATOM 0 HA PRO A 12 -70.125 -54.061 -16.220 1.00 62.23 H new ATOM 0 HB2 PRO A 12 -68.582 -55.058 -18.241 1.00 35.33 H new ATOM 0 HB3 PRO A 12 -69.753 -56.135 -17.507 1.00 35.33 H new ATOM 0 HG2 PRO A 12 -69.913 -54.673 -20.136 1.00 24.32 H new ATOM 0 HG3 PRO A 12 -70.468 -56.287 -19.740 1.00 24.32 H new ATOM 0 HD2 PRO A 12 -72.105 -53.977 -19.824 1.00 13.13 H new ATOM 0 HD3 PRO A 12 -72.555 -55.504 -19.090 1.00 13.13 H new ATOM 195 N ASN A 13 -68.863 -52.057 -16.714 1.00 44.35 N ATOM 196 CA ASN A 13 -68.158 -50.769 -16.923 1.00 74.24 C ATOM 197 C ASN A 13 -66.858 -50.979 -17.731 1.00 13.33 C ATOM 198 O ASN A 13 -66.262 -52.063 -17.686 1.00 24.01 O ATOM 199 CB ASN A 13 -67.865 -50.074 -15.559 1.00 54.01 C ATOM 200 CG ASN A 13 -66.885 -50.839 -14.658 1.00 54.33 C ATOM 201 OD1 ASN A 13 -67.283 -51.708 -13.883 1.00 42.45 O ATOM 202 ND2 ASN A 13 -65.600 -50.504 -14.738 1.00 2.21 N ATOM 0 H ASN A 13 -68.737 -52.446 -15.780 1.00 44.35 H new ATOM 0 HA ASN A 13 -68.808 -50.113 -17.502 1.00 74.24 H new ATOM 0 HB2 ASN A 13 -67.463 -49.079 -15.750 1.00 54.01 H new ATOM 0 HB3 ASN A 13 -68.805 -49.941 -15.023 1.00 54.01 H new ATOM 0 HD21 ASN A 13 -64.913 -50.972 -14.147 1.00 2.21 H new ATOM 0 HD22 ASN A 13 -65.302 -49.779 -15.391 1.00 2.21 H new ATOM 209 N GLY A 14 -66.426 -49.934 -18.463 1.00 44.30 N ATOM 210 CA GLY A 14 -65.246 -50.011 -19.338 1.00 35.31 C ATOM 211 C GLY A 14 -64.207 -48.938 -19.022 1.00 72.12 C ATOM 212 O GLY A 14 -64.451 -47.757 -19.272 1.00 51.34 O ATOM 0 H GLY A 14 -66.882 -49.022 -18.463 1.00 44.30 H new ATOM 0 HA2 GLY A 14 -64.788 -50.995 -19.238 1.00 35.31 H new ATOM 0 HA3 GLY A 14 -65.562 -49.911 -20.376 1.00 35.31 H new ATOM 216 N LYS A 15 -63.056 -49.345 -18.454 1.00 30.24 N ATOM 217 CA LYS A 15 -61.915 -48.441 -18.183 1.00 42.54 C ATOM 218 C LYS A 15 -60.744 -48.782 -19.132 1.00 3.41 C ATOM 219 O LYS A 15 -59.694 -49.295 -18.716 1.00 11.23 O ATOM 220 CB LYS A 15 -61.494 -48.488 -16.673 1.00 51.55 C ATOM 221 CG LYS A 15 -61.280 -49.903 -16.080 1.00 34.54 C ATOM 222 CD LYS A 15 -60.604 -49.898 -14.681 1.00 24.44 C ATOM 223 CE LYS A 15 -61.386 -49.102 -13.620 1.00 52.34 C ATOM 224 NZ LYS A 15 -60.749 -49.169 -12.274 1.00 12.52 N ATOM 0 H LYS A 15 -62.888 -50.310 -18.169 1.00 30.24 H new ATOM 0 HA LYS A 15 -62.220 -47.413 -18.381 1.00 42.54 H new ATOM 0 HB2 LYS A 15 -60.571 -47.921 -16.554 1.00 51.55 H new ATOM 0 HB3 LYS A 15 -62.258 -47.979 -16.086 1.00 51.55 H new ATOM 0 HG2 LYS A 15 -62.244 -50.406 -16.006 1.00 34.54 H new ATOM 0 HG3 LYS A 15 -60.668 -50.487 -16.768 1.00 34.54 H new ATOM 0 HD2 LYS A 15 -60.489 -50.927 -14.339 1.00 24.44 H new ATOM 0 HD3 LYS A 15 -59.602 -49.478 -14.773 1.00 24.44 H new ATOM 0 HE2 LYS A 15 -61.459 -48.060 -13.933 1.00 52.34 H new ATOM 0 HE3 LYS A 15 -62.403 -49.488 -13.557 1.00 52.34 H new ATOM 0 HZ1 LYS A 15 -61.313 -48.618 -11.595 1.00 12.52 H new ATOM 0 HZ2 LYS A 15 -60.702 -50.160 -11.961 1.00 12.52 H new ATOM 0 HZ3 LYS A 15 -59.787 -48.776 -12.325 1.00 12.52 H new ATOM 238 N LEU A 16 -60.956 -48.528 -20.437 1.00 64.44 N ATOM 239 CA LEU A 16 -59.955 -48.804 -21.478 1.00 72.43 C ATOM 240 C LEU A 16 -59.059 -47.572 -21.685 1.00 2.31 C ATOM 241 O LEU A 16 -59.546 -46.485 -22.036 1.00 54.41 O ATOM 242 CB LEU A 16 -60.610 -49.238 -22.826 1.00 21.33 C ATOM 243 CG LEU A 16 -61.320 -50.640 -22.862 1.00 63.41 C ATOM 244 CD1 LEU A 16 -60.416 -51.755 -22.302 1.00 53.13 C ATOM 245 CD2 LEU A 16 -62.696 -50.614 -22.169 1.00 62.33 C ATOM 0 H LEU A 16 -61.823 -48.127 -20.796 1.00 64.44 H new ATOM 0 HA LEU A 16 -59.346 -49.641 -21.136 1.00 72.43 H new ATOM 0 HB2 LEU A 16 -61.343 -48.481 -23.104 1.00 21.33 H new ATOM 0 HB3 LEU A 16 -59.837 -49.231 -23.595 1.00 21.33 H new ATOM 0 HG LEU A 16 -61.502 -50.872 -23.911 1.00 63.41 H new ATOM 0 HD11 LEU A 16 -60.944 -52.708 -22.345 1.00 53.13 H new ATOM 0 HD12 LEU A 16 -59.505 -51.818 -22.897 1.00 53.13 H new ATOM 0 HD13 LEU A 16 -60.158 -51.529 -21.267 1.00 53.13 H new ATOM 0 HD21 LEU A 16 -63.148 -51.605 -22.219 1.00 62.33 H new ATOM 0 HD22 LEU A 16 -62.572 -50.324 -21.126 1.00 62.33 H new ATOM 0 HD23 LEU A 16 -63.343 -49.895 -22.671 1.00 62.33 H new ATOM 257 N LYS A 17 -57.760 -47.761 -21.423 1.00 61.51 N ATOM 258 CA LYS A 17 -56.711 -46.763 -21.638 1.00 61.32 C ATOM 259 C LYS A 17 -55.353 -47.493 -21.745 1.00 3.03 C ATOM 260 O LYS A 17 -54.982 -48.283 -20.863 1.00 12.44 O ATOM 261 CB LYS A 17 -56.717 -45.693 -20.504 1.00 74.40 C ATOM 262 CG LYS A 17 -56.591 -46.265 -19.069 1.00 2.43 C ATOM 263 CD LYS A 17 -56.804 -45.203 -17.963 1.00 4.01 C ATOM 264 CE LYS A 17 -55.782 -44.056 -18.003 1.00 44.35 C ATOM 265 NZ LYS A 17 -56.067 -43.035 -16.956 1.00 2.22 N ATOM 0 H LYS A 17 -57.402 -48.638 -21.045 1.00 61.51 H new ATOM 0 HA LYS A 17 -56.894 -46.223 -22.567 1.00 61.32 H new ATOM 0 HB2 LYS A 17 -55.896 -44.997 -20.676 1.00 74.40 H new ATOM 0 HB3 LYS A 17 -57.641 -45.118 -20.571 1.00 74.40 H new ATOM 0 HG2 LYS A 17 -57.320 -47.065 -18.939 1.00 2.43 H new ATOM 0 HG3 LYS A 17 -55.604 -46.711 -18.949 1.00 2.43 H new ATOM 0 HD2 LYS A 17 -57.807 -44.788 -18.059 1.00 4.01 H new ATOM 0 HD3 LYS A 17 -56.752 -45.690 -16.989 1.00 4.01 H new ATOM 0 HE2 LYS A 17 -54.778 -44.456 -17.859 1.00 44.35 H new ATOM 0 HE3 LYS A 17 -55.800 -43.586 -18.986 1.00 44.35 H new ATOM 0 HZ1 LYS A 17 -55.359 -42.275 -17.010 1.00 2.22 H new ATOM 0 HZ2 LYS A 17 -57.015 -42.636 -17.109 1.00 2.22 H new ATOM 0 HZ3 LYS A 17 -56.026 -43.480 -16.017 1.00 2.22 H new ATOM 279 N CYS A 18 -54.636 -47.245 -22.849 1.00 22.32 N ATOM 280 CA CYS A 18 -53.347 -47.885 -23.155 1.00 14.14 C ATOM 281 C CYS A 18 -52.581 -47.012 -24.159 1.00 14.13 C ATOM 282 O CYS A 18 -53.208 -46.311 -24.958 1.00 53.32 O ATOM 283 CB CYS A 18 -53.571 -49.312 -23.718 1.00 44.21 C ATOM 284 SG CYS A 18 -54.653 -49.373 -25.165 1.00 34.42 S ATOM 0 H CYS A 18 -54.938 -46.585 -23.566 1.00 22.32 H new ATOM 0 HA CYS A 18 -52.759 -47.979 -22.242 1.00 14.14 H new ATOM 0 HB2 CYS A 18 -52.605 -49.743 -23.982 1.00 44.21 H new ATOM 0 HB3 CYS A 18 -53.996 -49.938 -22.933 1.00 44.21 H new ATOM 0 HG CYS A 18 -54.777 -50.604 -25.563 1.00 34.42 H new ATOM 290 N ASP A 19 -51.231 -47.067 -24.097 1.00 11.31 N ATOM 291 CA ASP A 19 -50.310 -46.203 -24.890 1.00 74.13 C ATOM 292 C ASP A 19 -50.338 -44.731 -24.401 1.00 55.53 C ATOM 293 O ASP A 19 -51.390 -44.182 -24.049 1.00 3.51 O ATOM 294 CB ASP A 19 -50.565 -46.310 -26.432 1.00 44.34 C ATOM 295 CG ASP A 19 -49.800 -45.270 -27.274 1.00 24.10 C ATOM 296 OD1 ASP A 19 -48.555 -45.234 -27.201 1.00 4.13 O ATOM 297 OD2 ASP A 19 -50.437 -44.459 -27.981 1.00 21.04 O ATOM 0 H ASP A 19 -50.738 -47.720 -23.488 1.00 11.31 H new ATOM 0 HA ASP A 19 -49.303 -46.583 -24.717 1.00 74.13 H new ATOM 0 HB2 ASP A 19 -50.284 -47.309 -26.767 1.00 44.34 H new ATOM 0 HB3 ASP A 19 -51.633 -46.199 -26.621 1.00 44.34 H new ATOM 302 N VAL A 20 -49.151 -44.106 -24.405 1.00 51.23 N ATOM 303 CA VAL A 20 -48.926 -42.737 -23.901 1.00 11.14 C ATOM 304 C VAL A 20 -49.400 -41.672 -24.919 1.00 3.50 C ATOM 305 O VAL A 20 -49.766 -40.554 -24.523 1.00 25.11 O ATOM 306 CB VAL A 20 -47.392 -42.552 -23.550 1.00 15.03 C ATOM 307 CG1 VAL A 20 -47.045 -41.126 -23.050 1.00 23.25 C ATOM 308 CG2 VAL A 20 -46.940 -43.619 -22.514 1.00 1.21 C ATOM 0 H VAL A 20 -48.303 -44.544 -24.765 1.00 51.23 H new ATOM 0 HA VAL A 20 -49.518 -42.595 -22.997 1.00 11.14 H new ATOM 0 HB VAL A 20 -46.842 -42.693 -24.480 1.00 15.03 H new ATOM 0 HG11 VAL A 20 -45.980 -41.068 -22.828 1.00 23.25 H new ATOM 0 HG12 VAL A 20 -47.295 -40.399 -23.823 1.00 23.25 H new ATOM 0 HG13 VAL A 20 -47.616 -40.908 -22.148 1.00 23.25 H new ATOM 0 HG21 VAL A 20 -45.884 -43.478 -22.284 1.00 1.21 H new ATOM 0 HG22 VAL A 20 -47.528 -43.513 -21.602 1.00 1.21 H new ATOM 0 HG23 VAL A 20 -47.091 -44.616 -22.929 1.00 1.21 H new ATOM 318 N CYS A 21 -49.417 -42.052 -26.219 1.00 24.24 N ATOM 319 CA CYS A 21 -49.718 -41.145 -27.362 1.00 63.01 C ATOM 320 C CYS A 21 -48.623 -40.061 -27.491 1.00 14.40 C ATOM 321 O CYS A 21 -48.874 -38.920 -27.900 1.00 33.34 O ATOM 322 CB CYS A 21 -51.159 -40.555 -27.254 1.00 43.43 C ATOM 323 SG CYS A 21 -51.653 -39.493 -28.633 1.00 22.32 S ATOM 0 H CYS A 21 -49.220 -43.009 -26.511 1.00 24.24 H new ATOM 0 HA CYS A 21 -49.702 -41.722 -28.286 1.00 63.01 H new ATOM 0 HB2 CYS A 21 -51.868 -41.379 -27.177 1.00 43.43 H new ATOM 0 HB3 CYS A 21 -51.233 -39.983 -26.329 1.00 43.43 H new ATOM 0 HG CYS A 21 -50.651 -38.742 -28.983 1.00 22.32 H new ATOM 329 N GLY A 22 -47.389 -40.476 -27.167 1.00 64.12 N ATOM 330 CA GLY A 22 -46.211 -39.616 -27.169 1.00 22.21 C ATOM 331 C GLY A 22 -45.085 -40.246 -26.360 1.00 60.25 C ATOM 332 O GLY A 22 -45.154 -41.443 -26.026 1.00 52.25 O ATOM 0 H GLY A 22 -47.185 -41.437 -26.892 1.00 64.12 H new ATOM 0 HA2 GLY A 22 -45.879 -39.447 -28.193 1.00 22.21 H new ATOM 0 HA3 GLY A 22 -46.465 -38.642 -26.751 1.00 22.21 H new ATOM 336 N MET A 23 -44.054 -39.445 -26.042 1.00 55.24 N ATOM 337 CA MET A 23 -42.913 -39.885 -25.213 1.00 54.35 C ATOM 338 C MET A 23 -42.095 -38.662 -24.757 1.00 1.32 C ATOM 339 O MET A 23 -41.931 -38.431 -23.555 1.00 64.40 O ATOM 340 CB MET A 23 -42.008 -40.903 -25.981 1.00 21.21 C ATOM 341 CG MET A 23 -40.831 -41.466 -25.163 1.00 62.45 C ATOM 342 SD MET A 23 -39.951 -42.811 -26.000 1.00 32.34 S ATOM 343 CE MET A 23 -41.178 -44.124 -25.994 1.00 65.13 C ATOM 0 H MET A 23 -43.986 -38.475 -26.351 1.00 55.24 H new ATOM 0 HA MET A 23 -43.305 -40.397 -24.334 1.00 54.35 H new ATOM 0 HB2 MET A 23 -42.627 -41.734 -26.320 1.00 21.21 H new ATOM 0 HB3 MET A 23 -41.613 -40.416 -26.872 1.00 21.21 H new ATOM 0 HG2 MET A 23 -40.129 -40.660 -24.949 1.00 62.45 H new ATOM 0 HG3 MET A 23 -41.204 -41.827 -24.205 1.00 62.45 H new ATOM 0 HE1 MET A 23 -40.693 -45.076 -26.210 1.00 65.13 H new ATOM 0 HE2 MET A 23 -41.653 -44.173 -25.014 1.00 65.13 H new ATOM 0 HE3 MET A 23 -41.933 -43.920 -26.754 1.00 65.13 H new ATOM 353 N VAL A 24 -41.619 -37.887 -25.754 1.00 34.24 N ATOM 354 CA VAL A 24 -40.712 -36.729 -25.583 1.00 0.04 C ATOM 355 C VAL A 24 -39.416 -37.130 -24.836 1.00 54.13 C ATOM 356 O VAL A 24 -39.361 -37.171 -23.599 1.00 33.13 O ATOM 357 CB VAL A 24 -41.411 -35.473 -24.927 1.00 62.53 C ATOM 358 CG1 VAL A 24 -40.410 -34.308 -24.698 1.00 43.23 C ATOM 359 CG2 VAL A 24 -42.604 -35.000 -25.800 1.00 20.30 C ATOM 0 H VAL A 24 -41.862 -38.054 -26.731 1.00 34.24 H new ATOM 0 HA VAL A 24 -40.432 -36.413 -26.588 1.00 0.04 H new ATOM 0 HB VAL A 24 -41.786 -35.779 -23.950 1.00 62.53 H new ATOM 0 HG11 VAL A 24 -40.931 -33.464 -24.246 1.00 43.23 H new ATOM 0 HG12 VAL A 24 -39.611 -34.640 -24.034 1.00 43.23 H new ATOM 0 HG13 VAL A 24 -39.984 -34.001 -25.653 1.00 43.23 H new ATOM 0 HG21 VAL A 24 -43.075 -34.134 -25.334 1.00 20.30 H new ATOM 0 HG22 VAL A 24 -42.243 -34.727 -26.792 1.00 20.30 H new ATOM 0 HG23 VAL A 24 -43.333 -35.806 -25.888 1.00 20.30 H new ATOM 369 N CYS A 25 -38.391 -37.430 -25.632 1.00 13.14 N ATOM 370 CA CYS A 25 -37.085 -37.906 -25.168 1.00 22.03 C ATOM 371 C CYS A 25 -36.052 -37.690 -26.286 1.00 31.52 C ATOM 372 O CYS A 25 -36.413 -37.244 -27.389 1.00 33.42 O ATOM 373 CB CYS A 25 -37.168 -39.404 -24.790 1.00 11.15 C ATOM 374 SG CYS A 25 -37.670 -40.467 -26.165 1.00 21.15 S ATOM 0 H CYS A 25 -38.446 -37.347 -26.647 1.00 13.14 H new ATOM 0 HA CYS A 25 -36.782 -37.348 -24.282 1.00 22.03 H new ATOM 0 HB2 CYS A 25 -36.196 -39.733 -24.423 1.00 11.15 H new ATOM 0 HB3 CYS A 25 -37.876 -39.525 -23.970 1.00 11.15 H new ATOM 0 HG CYS A 25 -38.397 -41.446 -25.714 1.00 21.15 H new ATOM 380 N ILE A 26 -34.783 -38.030 -25.985 1.00 34.52 N ATOM 381 CA ILE A 26 -33.639 -37.921 -26.911 1.00 45.20 C ATOM 382 C ILE A 26 -33.378 -36.442 -27.275 1.00 23.32 C ATOM 383 O ILE A 26 -34.034 -35.879 -28.167 1.00 34.43 O ATOM 384 CB ILE A 26 -33.787 -38.800 -28.230 1.00 51.11 C ATOM 385 CG1 ILE A 26 -34.183 -40.275 -27.893 1.00 13.42 C ATOM 386 CG2 ILE A 26 -32.480 -38.772 -29.067 1.00 21.14 C ATOM 387 CD1 ILE A 26 -34.510 -41.139 -29.109 1.00 12.21 C ATOM 0 H ILE A 26 -34.519 -38.396 -25.070 1.00 34.52 H new ATOM 0 HA ILE A 26 -32.781 -38.327 -26.375 1.00 45.20 H new ATOM 0 HB ILE A 26 -34.589 -38.361 -28.824 1.00 51.11 H new ATOM 0 HG12 ILE A 26 -33.365 -40.740 -27.343 1.00 13.42 H new ATOM 0 HG13 ILE A 26 -35.048 -40.263 -27.229 1.00 13.42 H new ATOM 0 HG21 ILE A 26 -32.608 -39.380 -29.962 1.00 21.14 H new ATOM 0 HG22 ILE A 26 -32.254 -37.745 -29.355 1.00 21.14 H new ATOM 0 HG23 ILE A 26 -31.658 -39.171 -28.472 1.00 21.14 H new ATOM 0 HD11 ILE A 26 -34.773 -42.144 -28.781 1.00 12.21 H new ATOM 0 HD12 ILE A 26 -35.349 -40.703 -29.650 1.00 12.21 H new ATOM 0 HD13 ILE A 26 -33.641 -41.188 -29.765 1.00 12.21 H new ATOM 399 N GLY A 27 -32.452 -35.807 -26.540 1.00 71.53 N ATOM 400 CA GLY A 27 -32.031 -34.435 -26.837 1.00 13.30 C ATOM 401 C GLY A 27 -31.051 -34.396 -28.010 1.00 32.02 C ATOM 402 O GLY A 27 -30.403 -35.414 -28.293 1.00 20.34 O ATOM 0 H GLY A 27 -31.982 -36.224 -25.736 1.00 71.53 H new ATOM 0 HA2 GLY A 27 -32.905 -33.827 -27.070 1.00 13.30 H new ATOM 0 HA3 GLY A 27 -31.564 -33.997 -25.955 1.00 13.30 H new ATOM 406 N PRO A 28 -30.919 -33.244 -28.731 1.00 5.23 N ATOM 407 CA PRO A 28 -29.933 -33.102 -29.826 1.00 21.10 C ATOM 408 C PRO A 28 -28.491 -32.964 -29.280 1.00 41.44 C ATOM 409 O PRO A 28 -28.285 -32.735 -28.076 1.00 14.11 O ATOM 410 CB PRO A 28 -30.412 -31.827 -30.566 1.00 32.24 C ATOM 411 CG PRO A 28 -31.090 -31.006 -29.507 1.00 25.44 C ATOM 412 CD PRO A 28 -31.715 -31.998 -28.539 1.00 13.34 C ATOM 0 HA PRO A 28 -29.887 -33.972 -30.482 1.00 21.10 H new ATOM 0 HB2 PRO A 28 -29.575 -31.288 -31.010 1.00 32.24 H new ATOM 0 HB3 PRO A 28 -31.098 -32.073 -31.376 1.00 32.24 H new ATOM 0 HG2 PRO A 28 -30.375 -30.361 -28.996 1.00 25.44 H new ATOM 0 HG3 PRO A 28 -31.849 -30.357 -29.944 1.00 25.44 H new ATOM 0 HD2 PRO A 28 -31.657 -31.642 -27.510 1.00 13.34 H new ATOM 0 HD3 PRO A 28 -32.770 -32.161 -28.761 1.00 13.34 H new ATOM 420 N ASN A 29 -27.494 -33.066 -30.183 1.00 2.14 N ATOM 421 CA ASN A 29 -26.049 -33.069 -29.818 1.00 2.11 C ATOM 422 C ASN A 29 -25.509 -31.614 -29.713 1.00 43.54 C ATOM 423 O ASN A 29 -24.301 -31.367 -29.848 1.00 5.25 O ATOM 424 CB ASN A 29 -25.247 -33.910 -30.878 1.00 42.35 C ATOM 425 CG ASN A 29 -24.001 -34.661 -30.340 1.00 74.11 C ATOM 426 OD1 ASN A 29 -23.624 -35.706 -30.873 1.00 44.54 O ATOM 427 ND2 ASN A 29 -23.352 -34.161 -29.295 1.00 4.20 N ATOM 0 H ASN A 29 -27.660 -33.149 -31.186 1.00 2.14 H new ATOM 0 HA ASN A 29 -25.920 -33.532 -28.840 1.00 2.11 H new ATOM 0 HB2 ASN A 29 -25.924 -34.640 -31.323 1.00 42.35 H new ATOM 0 HB3 ASN A 29 -24.928 -33.242 -31.678 1.00 42.35 H new ATOM 0 HD21 ASN A 29 -22.532 -34.643 -28.926 1.00 4.20 H new ATOM 0 HD22 ASN A 29 -23.673 -33.295 -28.862 1.00 4.20 H new ATOM 434 N VAL A 30 -26.423 -30.671 -29.399 1.00 13.11 N ATOM 435 CA VAL A 30 -26.142 -29.228 -29.341 1.00 41.32 C ATOM 436 C VAL A 30 -25.288 -28.854 -28.114 1.00 63.04 C ATOM 437 O VAL A 30 -24.542 -27.888 -28.174 1.00 22.53 O ATOM 438 CB VAL A 30 -27.475 -28.384 -29.343 1.00 1.21 C ATOM 439 CG1 VAL A 30 -28.266 -28.602 -30.653 1.00 42.41 C ATOM 440 CG2 VAL A 30 -28.351 -28.693 -28.100 1.00 13.25 C ATOM 0 H VAL A 30 -27.392 -30.899 -29.176 1.00 13.11 H new ATOM 0 HA VAL A 30 -25.571 -28.987 -30.237 1.00 41.32 H new ATOM 0 HB VAL A 30 -27.197 -27.332 -29.289 1.00 1.21 H new ATOM 0 HG11 VAL A 30 -29.180 -28.009 -30.629 1.00 42.41 H new ATOM 0 HG12 VAL A 30 -27.656 -28.294 -31.502 1.00 42.41 H new ATOM 0 HG13 VAL A 30 -28.520 -29.657 -30.753 1.00 42.41 H new ATOM 0 HG21 VAL A 30 -29.260 -28.093 -28.137 1.00 13.25 H new ATOM 0 HG22 VAL A 30 -28.615 -29.751 -28.095 1.00 13.25 H new ATOM 0 HG23 VAL A 30 -27.795 -28.453 -27.194 1.00 13.25 H new ATOM 450 N LEU A 31 -25.403 -29.637 -27.023 1.00 52.31 N ATOM 451 CA LEU A 31 -24.698 -29.372 -25.748 1.00 34.42 C ATOM 452 C LEU A 31 -23.170 -29.547 -25.948 1.00 60.13 C ATOM 453 O LEU A 31 -22.370 -28.759 -25.421 1.00 74.11 O ATOM 454 CB LEU A 31 -25.280 -30.316 -24.635 1.00 71.24 C ATOM 455 CG LEU A 31 -24.950 -29.999 -23.123 1.00 72.04 C ATOM 456 CD1 LEU A 31 -25.970 -30.677 -22.178 1.00 62.31 C ATOM 457 CD2 LEU A 31 -23.514 -30.423 -22.725 1.00 31.20 C ATOM 0 H LEU A 31 -25.987 -30.473 -26.999 1.00 52.31 H new ATOM 0 HA LEU A 31 -24.858 -28.344 -25.424 1.00 34.42 H new ATOM 0 HB2 LEU A 31 -26.365 -30.324 -24.742 1.00 71.24 H new ATOM 0 HB3 LEU A 31 -24.932 -31.328 -24.844 1.00 71.24 H new ATOM 0 HG LEU A 31 -25.020 -28.916 -23.017 1.00 72.04 H new ATOM 0 HD11 LEU A 31 -25.719 -30.442 -21.143 1.00 62.31 H new ATOM 0 HD12 LEU A 31 -26.972 -30.310 -22.401 1.00 62.31 H new ATOM 0 HD13 LEU A 31 -25.938 -31.757 -22.323 1.00 62.31 H new ATOM 0 HD21 LEU A 31 -23.341 -30.182 -21.676 1.00 31.20 H new ATOM 0 HD22 LEU A 31 -23.397 -31.496 -22.875 1.00 31.20 H new ATOM 0 HD23 LEU A 31 -22.792 -29.889 -23.344 1.00 31.20 H new ATOM 469 N MET A 32 -22.790 -30.572 -26.736 1.00 0.11 N ATOM 470 CA MET A 32 -21.377 -30.871 -27.050 1.00 33.33 C ATOM 471 C MET A 32 -20.765 -29.777 -27.950 1.00 51.54 C ATOM 472 O MET A 32 -19.702 -29.221 -27.629 1.00 61.04 O ATOM 473 CB MET A 32 -21.274 -32.252 -27.747 1.00 15.53 C ATOM 474 CG MET A 32 -19.869 -32.637 -28.245 1.00 60.42 C ATOM 475 SD MET A 32 -19.809 -34.270 -29.014 1.00 4.42 S ATOM 476 CE MET A 32 -20.154 -35.353 -27.627 1.00 62.45 C ATOM 0 H MET A 32 -23.451 -31.215 -27.172 1.00 0.11 H new ATOM 0 HA MET A 32 -20.816 -30.894 -26.116 1.00 33.33 H new ATOM 0 HB2 MET A 32 -21.617 -33.018 -27.051 1.00 15.53 H new ATOM 0 HB3 MET A 32 -21.958 -32.264 -28.596 1.00 15.53 H new ATOM 0 HG2 MET A 32 -19.528 -31.891 -28.964 1.00 60.42 H new ATOM 0 HG3 MET A 32 -19.174 -32.612 -27.406 1.00 60.42 H new ATOM 0 HE1 MET A 32 -19.404 -36.143 -27.587 1.00 62.45 H new ATOM 0 HE2 MET A 32 -20.126 -34.779 -26.701 1.00 62.45 H new ATOM 0 HE3 MET A 32 -21.142 -35.797 -27.749 1.00 62.45 H new ATOM 486 N VAL A 33 -21.457 -29.458 -29.066 1.00 73.21 N ATOM 487 CA VAL A 33 -20.975 -28.472 -30.056 1.00 62.53 C ATOM 488 C VAL A 33 -20.975 -27.043 -29.456 1.00 11.15 C ATOM 489 O VAL A 33 -20.174 -26.207 -29.858 1.00 22.14 O ATOM 490 CB VAL A 33 -21.769 -28.532 -31.419 1.00 34.31 C ATOM 491 CG1 VAL A 33 -23.229 -28.067 -31.272 1.00 2.44 C ATOM 492 CG2 VAL A 33 -21.037 -27.741 -32.534 1.00 54.32 C ATOM 0 H VAL A 33 -22.358 -29.873 -29.304 1.00 73.21 H new ATOM 0 HA VAL A 33 -19.946 -28.741 -30.296 1.00 62.53 H new ATOM 0 HB VAL A 33 -21.802 -29.581 -31.715 1.00 34.31 H new ATOM 0 HG11 VAL A 33 -23.729 -28.128 -32.238 1.00 2.44 H new ATOM 0 HG12 VAL A 33 -23.744 -28.707 -30.556 1.00 2.44 H new ATOM 0 HG13 VAL A 33 -23.249 -27.036 -30.918 1.00 2.44 H new ATOM 0 HG21 VAL A 33 -21.610 -27.802 -33.459 1.00 54.32 H new ATOM 0 HG22 VAL A 33 -20.940 -26.697 -32.236 1.00 54.32 H new ATOM 0 HG23 VAL A 33 -20.046 -28.167 -32.692 1.00 54.32 H new ATOM 502 N HIS A 34 -21.882 -26.800 -28.484 1.00 31.44 N ATOM 503 CA HIS A 34 -21.971 -25.528 -27.723 1.00 12.42 C ATOM 504 C HIS A 34 -20.598 -25.181 -27.106 1.00 12.41 C ATOM 505 O HIS A 34 -20.070 -24.082 -27.297 1.00 14.44 O ATOM 506 CB HIS A 34 -23.060 -25.670 -26.618 1.00 53.12 C ATOM 507 CG HIS A 34 -23.456 -24.400 -25.910 1.00 31.24 C ATOM 508 ND1 HIS A 34 -24.481 -23.589 -26.356 1.00 1.11 N ATOM 509 CD2 HIS A 34 -22.998 -23.824 -24.772 1.00 72.44 C ATOM 510 CE1 HIS A 34 -24.632 -22.577 -25.528 1.00 23.35 C ATOM 511 NE2 HIS A 34 -23.743 -22.695 -24.560 1.00 54.23 N ATOM 0 H HIS A 34 -22.581 -27.487 -28.201 1.00 31.44 H new ATOM 0 HA HIS A 34 -22.252 -24.715 -28.393 1.00 12.42 H new ATOM 0 HB2 HIS A 34 -23.952 -26.104 -27.070 1.00 53.12 H new ATOM 0 HB3 HIS A 34 -22.702 -26.381 -25.873 1.00 53.12 H new ATOM 0 HD2 HIS A 34 -22.195 -24.188 -24.148 1.00 72.44 H new ATOM 0 HE1 HIS A 34 -25.360 -21.785 -25.624 1.00 23.35 H new ATOM 0 HE2 HIS A 34 -23.629 -22.049 -23.779 1.00 54.23 H new ATOM 520 N LYS A 35 -20.023 -26.177 -26.417 1.00 60.35 N ATOM 521 CA LYS A 35 -18.690 -26.077 -25.791 1.00 65.41 C ATOM 522 C LYS A 35 -17.576 -26.061 -26.854 1.00 21.40 C ATOM 523 O LYS A 35 -16.560 -25.385 -26.697 1.00 44.23 O ATOM 524 CB LYS A 35 -18.464 -27.278 -24.849 1.00 63.31 C ATOM 525 CG LYS A 35 -19.530 -27.458 -23.751 1.00 32.42 C ATOM 526 CD LYS A 35 -19.234 -28.702 -22.879 1.00 53.12 C ATOM 527 CE LYS A 35 -20.239 -28.900 -21.741 1.00 44.43 C ATOM 528 NZ LYS A 35 -19.887 -30.070 -20.892 1.00 4.31 N ATOM 0 H LYS A 35 -20.470 -27.083 -26.275 1.00 60.35 H new ATOM 0 HA LYS A 35 -18.653 -25.144 -25.228 1.00 65.41 H new ATOM 0 HB2 LYS A 35 -18.425 -28.188 -25.448 1.00 63.31 H new ATOM 0 HB3 LYS A 35 -17.490 -27.168 -24.373 1.00 63.31 H new ATOM 0 HG2 LYS A 35 -19.561 -26.569 -23.121 1.00 32.42 H new ATOM 0 HG3 LYS A 35 -20.514 -27.558 -24.209 1.00 32.42 H new ATOM 0 HD2 LYS A 35 -19.234 -29.589 -23.513 1.00 53.12 H new ATOM 0 HD3 LYS A 35 -18.233 -28.611 -22.458 1.00 53.12 H new ATOM 0 HE2 LYS A 35 -20.273 -28.001 -21.125 1.00 44.43 H new ATOM 0 HE3 LYS A 35 -21.237 -29.040 -22.157 1.00 44.43 H new ATOM 0 HZ1 LYS A 35 -20.590 -30.172 -20.133 1.00 4.31 H new ATOM 0 HZ2 LYS A 35 -19.879 -30.932 -21.474 1.00 4.31 H new ATOM 0 HZ3 LYS A 35 -18.945 -29.925 -20.475 1.00 4.31 H new ATOM 542 N ARG A 36 -17.792 -26.836 -27.928 1.00 11.45 N ATOM 543 CA ARG A 36 -16.805 -27.045 -29.008 1.00 54.21 C ATOM 544 C ARG A 36 -16.648 -25.773 -29.878 1.00 44.01 C ATOM 545 O ARG A 36 -15.602 -25.560 -30.493 1.00 22.42 O ATOM 546 CB ARG A 36 -17.256 -28.256 -29.874 1.00 64.45 C ATOM 547 CG ARG A 36 -16.232 -28.757 -30.918 1.00 74.31 C ATOM 548 CD ARG A 36 -14.976 -29.368 -30.281 1.00 13.43 C ATOM 549 NE ARG A 36 -13.959 -29.704 -31.293 1.00 53.23 N ATOM 550 CZ ARG A 36 -12.762 -30.259 -31.036 1.00 35.51 C ATOM 551 NH1 ARG A 36 -12.399 -30.565 -29.792 1.00 14.40 N ATOM 552 NH2 ARG A 36 -11.938 -30.518 -32.040 1.00 31.12 N ATOM 0 H ARG A 36 -18.665 -27.342 -28.076 1.00 11.45 H new ATOM 0 HA ARG A 36 -15.830 -27.254 -28.567 1.00 54.21 H new ATOM 0 HB2 ARG A 36 -17.501 -29.083 -29.208 1.00 64.45 H new ATOM 0 HB3 ARG A 36 -18.174 -27.984 -30.395 1.00 64.45 H new ATOM 0 HG2 ARG A 36 -16.707 -29.501 -31.557 1.00 74.31 H new ATOM 0 HG3 ARG A 36 -15.940 -27.926 -31.560 1.00 74.31 H new ATOM 0 HD2 ARG A 36 -14.555 -28.666 -29.561 1.00 13.43 H new ATOM 0 HD3 ARG A 36 -15.249 -30.266 -29.728 1.00 13.43 H new ATOM 0 HE ARG A 36 -14.181 -29.499 -32.267 1.00 53.23 H new ATOM 0 HH11 ARG A 36 -13.033 -30.379 -29.015 1.00 14.40 H new ATOM 0 HH12 ARG A 36 -11.487 -30.986 -29.616 1.00 14.40 H new ATOM 0 HH21 ARG A 36 -12.214 -30.296 -32.997 1.00 31.12 H new ATOM 0 HH22 ARG A 36 -11.027 -30.939 -31.857 1.00 31.12 H new ATOM 566 N SER A 37 -17.704 -24.931 -29.911 1.00 52.03 N ATOM 567 CA SER A 37 -17.730 -23.687 -30.702 1.00 75.31 C ATOM 568 C SER A 37 -17.093 -22.526 -29.926 1.00 12.33 C ATOM 569 O SER A 37 -16.336 -21.730 -30.495 1.00 60.12 O ATOM 570 CB SER A 37 -19.181 -23.344 -31.106 1.00 73.33 C ATOM 571 OG SER A 37 -19.751 -24.387 -31.881 1.00 42.35 O ATOM 0 H SER A 37 -18.563 -25.098 -29.387 1.00 52.03 H new ATOM 0 HA SER A 37 -17.143 -23.843 -31.607 1.00 75.31 H new ATOM 0 HB2 SER A 37 -19.782 -23.180 -30.212 1.00 73.33 H new ATOM 0 HB3 SER A 37 -19.194 -22.414 -31.675 1.00 73.33 H new ATOM 0 HG SER A 37 -19.940 -25.157 -31.305 1.00 42.35 H new ATOM 577 N HIS A 38 -17.411 -22.442 -28.621 1.00 61.32 N ATOM 578 CA HIS A 38 -16.863 -21.392 -27.736 1.00 2.34 C ATOM 579 C HIS A 38 -15.404 -21.699 -27.342 1.00 52.54 C ATOM 580 O HIS A 38 -14.597 -20.773 -27.231 1.00 52.15 O ATOM 581 CB HIS A 38 -17.743 -21.221 -26.469 1.00 62.42 C ATOM 582 CG HIS A 38 -19.153 -20.763 -26.747 1.00 73.43 C ATOM 583 ND1 HIS A 38 -20.264 -21.474 -26.356 1.00 32.24 N ATOM 584 CD2 HIS A 38 -19.622 -19.654 -27.365 1.00 22.34 C ATOM 585 CE1 HIS A 38 -21.350 -20.825 -26.717 1.00 45.22 C ATOM 586 NE2 HIS A 38 -20.990 -19.718 -27.332 1.00 62.02 N ATOM 0 H HIS A 38 -18.046 -23.089 -28.153 1.00 61.32 H new ATOM 0 HA HIS A 38 -16.873 -20.454 -28.291 1.00 2.34 H new ATOM 0 HB2 HIS A 38 -17.781 -22.172 -25.937 1.00 62.42 H new ATOM 0 HB3 HIS A 38 -17.265 -20.502 -25.804 1.00 62.42 H new ATOM 0 HD1 HIS A 38 -20.248 -22.366 -25.862 1.00 32.24 H new ATOM 0 HD2 HIS A 38 -19.028 -18.865 -27.803 1.00 22.34 H new ATOM 0 HE1 HIS A 38 -22.366 -21.146 -26.539 1.00 45.22 H new ATOM 595 N THR A 39 -15.099 -23.012 -27.195 1.00 5.23 N ATOM 596 CA THR A 39 -13.820 -23.577 -26.674 1.00 3.31 C ATOM 597 C THR A 39 -13.423 -22.978 -25.302 1.00 43.33 C ATOM 598 O THR A 39 -13.577 -23.627 -24.260 1.00 2.51 O ATOM 599 CB THR A 39 -12.618 -23.496 -27.697 1.00 1.43 C ATOM 600 OG1 THR A 39 -12.341 -22.140 -28.071 1.00 11.44 O ATOM 601 CG2 THR A 39 -12.897 -24.312 -28.966 1.00 74.31 C ATOM 0 H THR A 39 -15.765 -23.743 -27.446 1.00 5.23 H new ATOM 0 HA THR A 39 -14.027 -24.637 -26.530 1.00 3.31 H new ATOM 0 HB THR A 39 -11.751 -23.916 -27.187 1.00 1.43 H new ATOM 0 HG1 THR A 39 -11.592 -22.121 -28.703 1.00 11.44 H new ATOM 0 HG21 THR A 39 -12.048 -24.231 -29.645 1.00 74.31 H new ATOM 0 HG22 THR A 39 -13.051 -25.358 -28.700 1.00 74.31 H new ATOM 0 HG23 THR A 39 -13.791 -23.927 -29.457 1.00 74.31 H new ATOM 609 N GLY A 40 -12.932 -21.737 -25.326 1.00 55.42 N ATOM 610 CA GLY A 40 -12.539 -21.004 -24.143 1.00 53.25 C ATOM 611 C GLY A 40 -11.632 -19.855 -24.513 1.00 44.43 C ATOM 612 O GLY A 40 -10.886 -19.943 -25.502 1.00 61.21 O ATOM 0 H GLY A 40 -12.798 -21.212 -26.190 1.00 55.42 H new ATOM 0 HA2 GLY A 40 -13.424 -20.627 -23.631 1.00 53.25 H new ATOM 0 HA3 GLY A 40 -12.028 -21.670 -23.448 1.00 53.25 H new ATOM 616 N GLU A 41 -11.707 -18.765 -23.748 1.00 32.52 N ATOM 617 CA GLU A 41 -10.853 -17.591 -23.943 1.00 4.41 C ATOM 618 C GLU A 41 -9.647 -17.669 -22.990 1.00 1.23 C ATOM 619 O GLU A 41 -9.805 -17.875 -21.776 1.00 64.14 O ATOM 620 CB GLU A 41 -11.664 -16.277 -23.742 1.00 33.40 C ATOM 621 CG GLU A 41 -12.424 -16.184 -22.408 1.00 21.33 C ATOM 622 CD GLU A 41 -13.215 -14.880 -22.256 1.00 61.34 C ATOM 623 OE1 GLU A 41 -14.225 -14.700 -22.974 1.00 54.21 O ATOM 624 OE2 GLU A 41 -12.831 -14.019 -21.432 1.00 64.42 O ATOM 0 H GLU A 41 -12.364 -18.671 -22.973 1.00 32.52 H new ATOM 0 HA GLU A 41 -10.481 -17.581 -24.967 1.00 4.41 H new ATOM 0 HB2 GLU A 41 -10.981 -15.431 -23.814 1.00 33.40 H new ATOM 0 HB3 GLU A 41 -12.379 -16.180 -24.559 1.00 33.40 H new ATOM 0 HG2 GLU A 41 -13.108 -17.029 -22.327 1.00 21.33 H new ATOM 0 HG3 GLU A 41 -11.714 -16.269 -21.585 1.00 21.33 H new ATOM 631 N ARG A 42 -8.443 -17.588 -23.577 1.00 1.40 N ATOM 632 CA ARG A 42 -7.171 -17.436 -22.840 1.00 42.43 C ATOM 633 C ARG A 42 -7.192 -16.150 -21.973 1.00 13.30 C ATOM 634 O ARG A 42 -7.907 -15.201 -22.311 1.00 53.50 O ATOM 635 CB ARG A 42 -5.949 -17.421 -23.830 1.00 33.12 C ATOM 636 CG ARG A 42 -5.840 -16.221 -24.819 1.00 23.53 C ATOM 637 CD ARG A 42 -6.905 -16.236 -25.935 1.00 11.54 C ATOM 638 NE ARG A 42 -6.926 -17.530 -26.641 1.00 42.21 N ATOM 639 CZ ARG A 42 -7.968 -18.046 -27.325 1.00 51.50 C ATOM 640 NH1 ARG A 42 -9.124 -17.390 -27.440 1.00 62.33 N ATOM 641 NH2 ARG A 42 -7.833 -19.230 -27.894 1.00 21.14 N ATOM 0 H ARG A 42 -8.320 -17.626 -24.589 1.00 1.40 H new ATOM 0 HA ARG A 42 -7.058 -18.293 -22.177 1.00 42.43 H new ATOM 0 HB2 ARG A 42 -5.035 -17.452 -23.237 1.00 33.12 H new ATOM 0 HB3 ARG A 42 -5.980 -18.339 -24.417 1.00 33.12 H new ATOM 0 HG2 ARG A 42 -5.928 -15.291 -24.258 1.00 23.53 H new ATOM 0 HG3 ARG A 42 -4.850 -16.226 -25.274 1.00 23.53 H new ATOM 0 HD2 ARG A 42 -7.887 -16.038 -25.506 1.00 11.54 H new ATOM 0 HD3 ARG A 42 -6.701 -15.435 -26.646 1.00 11.54 H new ATOM 0 HE ARG A 42 -6.072 -18.088 -26.609 1.00 42.21 H new ATOM 0 HH11 ARG A 42 -9.236 -16.474 -27.005 1.00 62.33 H new ATOM 0 HH12 ARG A 42 -9.895 -17.804 -27.963 1.00 62.33 H new ATOM 0 HH21 ARG A 42 -6.952 -19.738 -27.812 1.00 21.14 H new ATOM 0 HH22 ARG A 42 -8.610 -19.637 -28.415 1.00 21.14 H new ATOM 655 N PRO A 43 -6.375 -16.066 -20.865 1.00 4.44 N ATOM 656 CA PRO A 43 -6.311 -14.852 -19.993 1.00 61.14 C ATOM 657 C PRO A 43 -5.565 -13.663 -20.660 1.00 12.30 C ATOM 658 O PRO A 43 -5.229 -12.672 -19.995 1.00 50.43 O ATOM 659 CB PRO A 43 -5.563 -15.385 -18.746 1.00 3.10 C ATOM 660 CG PRO A 43 -4.656 -16.442 -19.290 1.00 11.03 C ATOM 661 CD PRO A 43 -5.466 -17.141 -20.363 1.00 23.43 C ATOM 0 HA PRO A 43 -7.294 -14.435 -19.772 1.00 61.14 H new ATOM 0 HB2 PRO A 43 -5.001 -14.594 -18.250 1.00 3.10 H new ATOM 0 HB3 PRO A 43 -6.255 -15.794 -18.010 1.00 3.10 H new ATOM 0 HG2 PRO A 43 -3.746 -16.007 -19.703 1.00 11.03 H new ATOM 0 HG3 PRO A 43 -4.350 -17.139 -18.510 1.00 11.03 H new ATOM 0 HD2 PRO A 43 -4.829 -17.532 -21.157 1.00 23.43 H new ATOM 0 HD3 PRO A 43 -6.026 -17.984 -19.959 1.00 23.43 H new ATOM 669 N PHE A 44 -5.311 -13.803 -21.981 1.00 72.22 N ATOM 670 CA PHE A 44 -4.698 -12.781 -22.842 1.00 2.02 C ATOM 671 C PHE A 44 -3.275 -12.493 -22.371 1.00 44.04 C ATOM 672 O PHE A 44 -2.780 -11.364 -22.436 1.00 12.22 O ATOM 673 CB PHE A 44 -5.593 -11.512 -22.941 1.00 11.14 C ATOM 674 CG PHE A 44 -7.049 -11.838 -23.282 1.00 63.22 C ATOM 675 CD1 PHE A 44 -7.377 -12.428 -24.501 1.00 2.04 C ATOM 676 CD2 PHE A 44 -8.078 -11.588 -22.374 1.00 72.53 C ATOM 677 CE1 PHE A 44 -8.684 -12.750 -24.801 1.00 63.13 C ATOM 678 CE2 PHE A 44 -9.382 -11.916 -22.676 1.00 24.22 C ATOM 679 CZ PHE A 44 -9.685 -12.492 -23.890 1.00 0.12 C ATOM 0 H PHE A 44 -5.536 -14.659 -22.487 1.00 72.22 H new ATOM 0 HA PHE A 44 -4.625 -13.160 -23.861 1.00 2.02 H new ATOM 0 HB2 PHE A 44 -5.558 -10.974 -21.994 1.00 11.14 H new ATOM 0 HB3 PHE A 44 -5.187 -10.845 -23.702 1.00 11.14 H new ATOM 0 HD1 PHE A 44 -6.598 -12.636 -25.220 1.00 2.04 H new ATOM 0 HD2 PHE A 44 -7.850 -11.132 -21.422 1.00 72.53 H new ATOM 0 HE1 PHE A 44 -8.923 -13.205 -25.751 1.00 63.13 H new ATOM 0 HE2 PHE A 44 -10.167 -11.721 -21.960 1.00 24.22 H new ATOM 0 HZ PHE A 44 -10.708 -12.742 -24.128 1.00 0.12 H new ATOM 689 N HIS A 45 -2.615 -13.578 -21.949 1.00 61.01 N ATOM 690 CA HIS A 45 -1.262 -13.553 -21.417 1.00 52.50 C ATOM 691 C HIS A 45 -0.252 -13.766 -22.555 1.00 12.11 C ATOM 692 O HIS A 45 -0.412 -14.679 -23.376 1.00 0.44 O ATOM 693 CB HIS A 45 -1.116 -14.658 -20.337 1.00 2.12 C ATOM 694 CG HIS A 45 0.294 -14.886 -19.853 1.00 14.34 C ATOM 695 ND1 HIS A 45 1.004 -16.034 -20.123 1.00 23.42 N ATOM 696 CD2 HIS A 45 1.115 -14.106 -19.115 1.00 42.02 C ATOM 697 CE1 HIS A 45 2.199 -15.949 -19.578 1.00 25.23 C ATOM 698 NE2 HIS A 45 2.291 -14.789 -18.957 1.00 5.42 N ATOM 0 H HIS A 45 -3.021 -14.513 -21.971 1.00 61.01 H new ATOM 0 HA HIS A 45 -1.062 -12.584 -20.959 1.00 52.50 H new ATOM 0 HB2 HIS A 45 -1.741 -14.397 -19.483 1.00 2.12 H new ATOM 0 HB3 HIS A 45 -1.503 -15.594 -20.740 1.00 2.12 H new ATOM 0 HD1 HIS A 45 0.658 -16.828 -20.662 1.00 23.42 H new ATOM 0 HD2 HIS A 45 0.886 -13.126 -18.723 1.00 42.02 H new ATOM 0 HE1 HIS A 45 2.972 -16.701 -19.630 1.00 25.23 H new ATOM 707 N CYS A 46 0.770 -12.907 -22.593 1.00 41.42 N ATOM 708 CA CYS A 46 1.901 -13.024 -23.519 1.00 34.30 C ATOM 709 C CYS A 46 2.873 -14.109 -23.009 1.00 55.33 C ATOM 710 O CYS A 46 3.308 -14.048 -21.850 1.00 44.42 O ATOM 711 CB CYS A 46 2.591 -11.653 -23.646 1.00 30.31 C ATOM 712 SG CYS A 46 4.035 -11.636 -24.757 1.00 73.11 S ATOM 0 H CYS A 46 0.837 -12.100 -21.973 1.00 41.42 H new ATOM 0 HA CYS A 46 1.556 -13.324 -24.508 1.00 34.30 H new ATOM 0 HB2 CYS A 46 1.863 -10.926 -24.005 1.00 30.31 H new ATOM 0 HB3 CYS A 46 2.906 -11.326 -22.655 1.00 30.31 H new ATOM 717 N ASN A 47 3.200 -15.063 -23.908 1.00 63.40 N ATOM 718 CA ASN A 47 3.831 -16.369 -23.596 1.00 32.52 C ATOM 719 C ASN A 47 5.037 -16.265 -22.628 1.00 33.42 C ATOM 720 O ASN A 47 4.918 -16.605 -21.442 1.00 73.51 O ATOM 721 CB ASN A 47 4.259 -17.069 -24.920 1.00 43.25 C ATOM 722 CG ASN A 47 3.099 -17.366 -25.882 1.00 54.51 C ATOM 723 OD1 ASN A 47 2.081 -16.664 -25.899 1.00 23.32 O ATOM 724 ND2 ASN A 47 3.251 -18.400 -26.699 1.00 53.20 N ATOM 0 H ASN A 47 3.027 -14.943 -24.906 1.00 63.40 H new ATOM 0 HA ASN A 47 3.081 -16.964 -23.075 1.00 32.52 H new ATOM 0 HB2 ASN A 47 4.987 -16.439 -25.431 1.00 43.25 H new ATOM 0 HB3 ASN A 47 4.762 -18.005 -24.676 1.00 43.25 H new ATOM 0 HD21 ASN A 47 2.516 -18.635 -27.366 1.00 53.20 H new ATOM 0 HD22 ASN A 47 4.103 -18.960 -26.660 1.00 53.20 H new ATOM 731 N GLN A 48 6.181 -15.760 -23.129 1.00 54.45 N ATOM 732 CA GLN A 48 7.395 -15.572 -22.316 1.00 32.53 C ATOM 733 C GLN A 48 7.743 -14.069 -22.240 1.00 13.24 C ATOM 734 O GLN A 48 8.500 -13.539 -23.061 1.00 53.30 O ATOM 735 CB GLN A 48 8.575 -16.413 -22.880 1.00 62.22 C ATOM 736 CG GLN A 48 9.855 -16.374 -22.015 1.00 52.14 C ATOM 737 CD GLN A 48 10.915 -17.377 -22.463 1.00 10.21 C ATOM 738 OE1 GLN A 48 11.781 -17.065 -23.276 1.00 32.24 O ATOM 739 NE2 GLN A 48 10.828 -18.599 -21.954 1.00 2.33 N ATOM 0 H GLN A 48 6.288 -15.473 -24.102 1.00 54.45 H new ATOM 0 HA GLN A 48 7.208 -15.928 -21.303 1.00 32.53 H new ATOM 0 HB2 GLN A 48 8.251 -17.449 -22.982 1.00 62.22 H new ATOM 0 HB3 GLN A 48 8.816 -16.054 -23.881 1.00 62.22 H new ATOM 0 HG2 GLN A 48 10.277 -15.370 -22.048 1.00 52.14 H new ATOM 0 HG3 GLN A 48 9.590 -16.574 -20.977 1.00 52.14 H new ATOM 0 HE21 GLN A 48 10.094 -18.820 -21.281 1.00 2.33 H new ATOM 0 HE22 GLN A 48 11.495 -19.318 -22.236 1.00 2.33 H new ATOM 748 N CYS A 49 7.087 -13.395 -21.288 1.00 4.11 N ATOM 749 CA CYS A 49 7.406 -12.018 -20.851 1.00 31.01 C ATOM 750 C CYS A 49 6.564 -11.670 -19.612 1.00 75.32 C ATOM 751 O CYS A 49 6.979 -10.883 -18.759 1.00 53.04 O ATOM 752 CB CYS A 49 7.181 -10.959 -21.957 1.00 34.12 C ATOM 753 SG CYS A 49 5.443 -10.642 -22.427 1.00 12.15 S ATOM 0 H CYS A 49 6.297 -13.797 -20.783 1.00 4.11 H new ATOM 0 HA CYS A 49 8.469 -11.994 -20.612 1.00 31.01 H new ATOM 0 HB2 CYS A 49 7.624 -10.019 -21.627 1.00 34.12 H new ATOM 0 HB3 CYS A 49 7.725 -11.273 -22.848 1.00 34.12 H new ATOM 758 N GLY A 50 5.370 -12.283 -19.526 1.00 3.21 N ATOM 759 CA GLY A 50 4.467 -12.079 -18.389 1.00 33.13 C ATOM 760 C GLY A 50 3.684 -10.783 -18.526 1.00 61.31 C ATOM 761 O GLY A 50 3.817 -9.875 -17.698 1.00 11.15 O ATOM 0 H GLY A 50 5.011 -12.924 -20.234 1.00 3.21 H new ATOM 0 HA2 GLY A 50 3.775 -12.918 -18.318 1.00 33.13 H new ATOM 0 HA3 GLY A 50 5.043 -12.061 -17.464 1.00 33.13 H new ATOM 765 N ALA A 51 2.880 -10.689 -19.598 1.00 3.23 N ATOM 766 CA ALA A 51 2.037 -9.515 -19.875 1.00 23.33 C ATOM 767 C ALA A 51 0.603 -9.981 -20.155 1.00 41.12 C ATOM 768 O ALA A 51 0.270 -10.346 -21.286 1.00 63.41 O ATOM 769 CB ALA A 51 2.619 -8.702 -21.047 1.00 5.54 C ATOM 0 H ALA A 51 2.796 -11.426 -20.298 1.00 3.23 H new ATOM 0 HA ALA A 51 2.019 -8.856 -19.007 1.00 23.33 H new ATOM 0 HB1 ALA A 51 1.985 -7.837 -21.240 1.00 5.54 H new ATOM 0 HB2 ALA A 51 3.624 -8.365 -20.793 1.00 5.54 H new ATOM 0 HB3 ALA A 51 2.661 -9.328 -21.939 1.00 5.54 H new ATOM 775 N SER A 52 -0.223 -10.041 -19.098 1.00 35.22 N ATOM 776 CA SER A 52 -1.635 -10.429 -19.210 1.00 13.32 C ATOM 777 C SER A 52 -2.490 -9.186 -19.522 1.00 23.52 C ATOM 778 O SER A 52 -2.262 -8.108 -18.956 1.00 51.40 O ATOM 779 CB SER A 52 -2.101 -11.124 -17.911 1.00 13.51 C ATOM 780 OG SER A 52 -3.433 -11.599 -18.017 1.00 23.41 O ATOM 0 H SER A 52 0.070 -9.822 -18.146 1.00 35.22 H new ATOM 0 HA SER A 52 -1.755 -11.140 -20.028 1.00 13.32 H new ATOM 0 HB2 SER A 52 -1.435 -11.957 -17.685 1.00 13.51 H new ATOM 0 HB3 SER A 52 -2.030 -10.424 -17.078 1.00 13.51 H new ATOM 0 HG SER A 52 -3.604 -11.889 -18.937 1.00 23.41 H new ATOM 786 N PHE A 53 -3.460 -9.334 -20.438 1.00 70.02 N ATOM 787 CA PHE A 53 -4.310 -8.219 -20.907 1.00 22.23 C ATOM 788 C PHE A 53 -5.789 -8.515 -20.640 1.00 21.31 C ATOM 789 O PHE A 53 -6.147 -9.642 -20.286 1.00 23.05 O ATOM 790 CB PHE A 53 -4.050 -7.970 -22.414 1.00 23.11 C ATOM 791 CG PHE A 53 -2.633 -7.487 -22.699 1.00 13.33 C ATOM 792 CD1 PHE A 53 -2.271 -6.170 -22.420 1.00 43.51 C ATOM 793 CD2 PHE A 53 -1.660 -8.348 -23.208 1.00 41.35 C ATOM 794 CE1 PHE A 53 -0.985 -5.728 -22.643 1.00 73.42 C ATOM 795 CE2 PHE A 53 -0.375 -7.905 -23.424 1.00 11.33 C ATOM 796 CZ PHE A 53 -0.038 -6.593 -23.144 1.00 2.31 C ATOM 0 H PHE A 53 -3.680 -10.228 -20.877 1.00 70.02 H new ATOM 0 HA PHE A 53 -4.054 -7.315 -20.354 1.00 22.23 H new ATOM 0 HB2 PHE A 53 -4.232 -8.892 -22.966 1.00 23.11 H new ATOM 0 HB3 PHE A 53 -4.761 -7.231 -22.783 1.00 23.11 H new ATOM 0 HD1 PHE A 53 -3.008 -5.487 -22.024 1.00 43.51 H new ATOM 0 HD2 PHE A 53 -1.918 -9.372 -23.435 1.00 41.35 H new ATOM 0 HE1 PHE A 53 -0.720 -4.704 -22.425 1.00 73.42 H new ATOM 0 HE2 PHE A 53 0.371 -8.582 -23.813 1.00 11.33 H new ATOM 0 HZ PHE A 53 0.970 -6.246 -23.319 1.00 2.31 H new ATOM 806 N THR A 54 -6.638 -7.487 -20.810 1.00 0.22 N ATOM 807 CA THR A 54 -8.080 -7.575 -20.525 1.00 21.54 C ATOM 808 C THR A 54 -8.864 -8.127 -21.731 1.00 30.33 C ATOM 809 O THR A 54 -9.914 -8.751 -21.550 1.00 25.10 O ATOM 810 CB THR A 54 -8.658 -6.178 -20.084 1.00 73.21 C ATOM 811 OG1 THR A 54 -10.047 -6.288 -19.720 1.00 50.50 O ATOM 812 CG2 THR A 54 -8.507 -5.094 -21.172 1.00 2.01 C ATOM 0 H THR A 54 -6.343 -6.571 -21.149 1.00 0.22 H new ATOM 0 HA THR A 54 -8.203 -8.274 -19.698 1.00 21.54 H new ATOM 0 HB THR A 54 -8.069 -5.870 -19.220 1.00 73.21 H new ATOM 0 HG1 THR A 54 -10.385 -5.409 -19.448 1.00 50.50 H new ATOM 0 HG21 THR A 54 -8.923 -4.154 -20.810 1.00 2.01 H new ATOM 0 HG22 THR A 54 -7.451 -4.957 -21.405 1.00 2.01 H new ATOM 0 HG23 THR A 54 -9.040 -5.404 -22.071 1.00 2.01 H new ATOM 820 N GLN A 55 -8.345 -7.909 -22.960 1.00 1.42 N ATOM 821 CA GLN A 55 -9.050 -8.278 -24.210 1.00 13.54 C ATOM 822 C GLN A 55 -8.096 -8.839 -25.277 1.00 14.52 C ATOM 823 O GLN A 55 -6.876 -8.633 -25.213 1.00 41.03 O ATOM 824 CB GLN A 55 -9.851 -7.059 -24.766 1.00 51.35 C ATOM 825 CG GLN A 55 -11.215 -6.818 -24.079 1.00 52.33 C ATOM 826 CD GLN A 55 -12.222 -7.951 -24.353 1.00 43.53 C ATOM 827 OE1 GLN A 55 -12.984 -7.901 -25.315 1.00 52.42 O ATOM 828 NE2 GLN A 55 -12.214 -8.983 -23.521 1.00 24.05 N ATOM 0 H GLN A 55 -7.434 -7.476 -23.114 1.00 1.42 H new ATOM 0 HA GLN A 55 -9.750 -9.076 -23.962 1.00 13.54 H new ATOM 0 HB2 GLN A 55 -9.242 -6.161 -24.659 1.00 51.35 H new ATOM 0 HB3 GLN A 55 -10.017 -7.206 -25.833 1.00 51.35 H new ATOM 0 HG2 GLN A 55 -11.065 -6.722 -23.004 1.00 52.33 H new ATOM 0 HG3 GLN A 55 -11.632 -5.873 -24.428 1.00 52.33 H new ATOM 0 HE21 GLN A 55 -11.569 -8.996 -22.731 1.00 24.05 H new ATOM 0 HE22 GLN A 55 -12.852 -9.764 -23.671 1.00 24.05 H new ATOM 837 N LYS A 56 -8.691 -9.547 -26.270 1.00 65.31 N ATOM 838 CA LYS A 56 -7.951 -10.187 -27.379 1.00 21.43 C ATOM 839 C LYS A 56 -7.309 -9.139 -28.290 1.00 35.35 C ATOM 840 O LYS A 56 -6.221 -9.363 -28.782 1.00 63.53 O ATOM 841 CB LYS A 56 -8.874 -11.140 -28.205 1.00 34.31 C ATOM 842 CG LYS A 56 -10.057 -10.444 -28.909 1.00 33.24 C ATOM 843 CD LYS A 56 -10.881 -11.390 -29.816 1.00 13.22 C ATOM 844 CE LYS A 56 -12.058 -10.664 -30.496 1.00 1.23 C ATOM 845 NZ LYS A 56 -12.884 -11.577 -31.338 1.00 64.21 N ATOM 0 H LYS A 56 -9.700 -9.688 -26.321 1.00 65.31 H new ATOM 0 HA LYS A 56 -7.157 -10.788 -26.936 1.00 21.43 H new ATOM 0 HB2 LYS A 56 -8.269 -11.647 -28.957 1.00 34.31 H new ATOM 0 HB3 LYS A 56 -9.267 -11.909 -27.540 1.00 34.31 H new ATOM 0 HG2 LYS A 56 -10.715 -10.013 -28.155 1.00 33.24 H new ATOM 0 HG3 LYS A 56 -9.677 -9.618 -29.510 1.00 33.24 H new ATOM 0 HD2 LYS A 56 -10.230 -11.817 -30.579 1.00 13.22 H new ATOM 0 HD3 LYS A 56 -11.263 -12.220 -29.221 1.00 13.22 H new ATOM 0 HE2 LYS A 56 -12.689 -10.209 -29.733 1.00 1.23 H new ATOM 0 HE3 LYS A 56 -11.672 -9.854 -31.115 1.00 1.23 H new ATOM 0 HZ1 LYS A 56 -13.662 -11.040 -31.772 1.00 64.21 H new ATOM 0 HZ2 LYS A 56 -12.291 -11.993 -32.084 1.00 64.21 H new ATOM 0 HZ3 LYS A 56 -13.276 -12.336 -30.745 1.00 64.21 H new ATOM 859 N GLY A 57 -7.982 -7.983 -28.476 1.00 3.32 N ATOM 860 CA GLY A 57 -7.458 -6.897 -29.315 1.00 11.04 C ATOM 861 C GLY A 57 -6.084 -6.408 -28.867 1.00 75.04 C ATOM 862 O GLY A 57 -5.217 -6.084 -29.696 1.00 13.42 O ATOM 0 H GLY A 57 -8.889 -7.783 -28.054 1.00 3.32 H new ATOM 0 HA2 GLY A 57 -7.396 -7.240 -30.348 1.00 11.04 H new ATOM 0 HA3 GLY A 57 -8.158 -6.062 -29.298 1.00 11.04 H new ATOM 866 N ASN A 58 -5.889 -6.396 -27.536 1.00 2.15 N ATOM 867 CA ASN A 58 -4.636 -5.974 -26.901 1.00 11.12 C ATOM 868 C ASN A 58 -3.526 -7.006 -27.183 1.00 43.34 C ATOM 869 O ASN A 58 -2.416 -6.646 -27.599 1.00 52.15 O ATOM 870 CB ASN A 58 -4.825 -5.833 -25.361 1.00 23.42 C ATOM 871 CG ASN A 58 -6.049 -5.016 -24.922 1.00 41.03 C ATOM 872 OD1 ASN A 58 -6.654 -5.320 -23.893 1.00 75.02 O ATOM 873 ND2 ASN A 58 -6.411 -3.977 -25.665 1.00 43.33 N ATOM 0 H ASN A 58 -6.605 -6.682 -26.869 1.00 2.15 H new ATOM 0 HA ASN A 58 -4.351 -5.007 -27.317 1.00 11.12 H new ATOM 0 HB2 ASN A 58 -4.900 -6.830 -24.928 1.00 23.42 H new ATOM 0 HB3 ASN A 58 -3.931 -5.371 -24.943 1.00 23.42 H new ATOM 0 HD21 ASN A 58 -7.210 -3.406 -25.389 1.00 43.33 H new ATOM 0 HD22 ASN A 58 -5.890 -3.750 -26.512 1.00 43.33 H new ATOM 880 N LEU A 59 -3.863 -8.292 -26.957 1.00 12.13 N ATOM 881 CA LEU A 59 -2.920 -9.423 -27.077 1.00 41.42 C ATOM 882 C LEU A 59 -2.489 -9.641 -28.543 1.00 61.42 C ATOM 883 O LEU A 59 -1.311 -9.846 -28.822 1.00 14.11 O ATOM 884 CB LEU A 59 -3.564 -10.728 -26.533 1.00 73.11 C ATOM 885 CG LEU A 59 -2.650 -12.001 -26.568 1.00 33.02 C ATOM 886 CD1 LEU A 59 -1.457 -11.863 -25.603 1.00 25.11 C ATOM 887 CD2 LEU A 59 -3.454 -13.293 -26.305 1.00 73.25 C ATOM 0 H LEU A 59 -4.804 -8.577 -26.684 1.00 12.13 H new ATOM 0 HA LEU A 59 -2.038 -9.177 -26.486 1.00 41.42 H new ATOM 0 HB2 LEU A 59 -3.877 -10.556 -25.503 1.00 73.11 H new ATOM 0 HB3 LEU A 59 -4.466 -10.934 -27.109 1.00 73.11 H new ATOM 0 HG LEU A 59 -2.244 -12.081 -27.577 1.00 33.02 H new ATOM 0 HD11 LEU A 59 -0.844 -12.763 -25.652 1.00 25.11 H new ATOM 0 HD12 LEU A 59 -0.857 -10.999 -25.888 1.00 25.11 H new ATOM 0 HD13 LEU A 59 -1.825 -11.730 -24.586 1.00 25.11 H new ATOM 0 HD21 LEU A 59 -2.784 -14.152 -26.338 1.00 73.25 H new ATOM 0 HD22 LEU A 59 -3.923 -13.236 -25.323 1.00 73.25 H new ATOM 0 HD23 LEU A 59 -4.224 -13.404 -27.069 1.00 73.25 H new ATOM 899 N LEU A 60 -3.468 -9.580 -29.463 1.00 44.14 N ATOM 900 CA LEU A 60 -3.272 -9.838 -30.906 1.00 32.03 C ATOM 901 C LEU A 60 -2.342 -8.786 -31.542 1.00 34.11 C ATOM 902 O LEU A 60 -1.670 -9.074 -32.529 1.00 43.02 O ATOM 903 CB LEU A 60 -4.646 -9.879 -31.638 1.00 73.15 C ATOM 904 CG LEU A 60 -5.566 -11.101 -31.315 1.00 22.51 C ATOM 905 CD1 LEU A 60 -6.953 -10.954 -31.975 1.00 74.11 C ATOM 906 CD2 LEU A 60 -4.897 -12.432 -31.717 1.00 2.23 C ATOM 0 H LEU A 60 -4.432 -9.347 -29.225 1.00 44.14 H new ATOM 0 HA LEU A 60 -2.791 -10.810 -31.015 1.00 32.03 H new ATOM 0 HB2 LEU A 60 -5.191 -8.967 -31.395 1.00 73.15 H new ATOM 0 HB3 LEU A 60 -4.462 -9.864 -32.712 1.00 73.15 H new ATOM 0 HG LEU A 60 -5.715 -11.118 -30.235 1.00 22.51 H new ATOM 0 HD11 LEU A 60 -7.566 -11.821 -31.730 1.00 74.11 H new ATOM 0 HD12 LEU A 60 -7.438 -10.050 -31.606 1.00 74.11 H new ATOM 0 HD13 LEU A 60 -6.836 -10.887 -33.057 1.00 74.11 H new ATOM 0 HD21 LEU A 60 -5.564 -13.261 -31.479 1.00 2.23 H new ATOM 0 HD22 LEU A 60 -4.692 -12.427 -32.788 1.00 2.23 H new ATOM 0 HD23 LEU A 60 -3.962 -12.549 -31.169 1.00 2.23 H new ATOM 918 N ARG A 61 -2.341 -7.566 -30.977 1.00 13.43 N ATOM 919 CA ARG A 61 -1.384 -6.504 -31.342 1.00 74.32 C ATOM 920 C ARG A 61 -0.004 -6.788 -30.700 1.00 25.04 C ATOM 921 O ARG A 61 1.031 -6.695 -31.364 1.00 62.22 O ATOM 922 CB ARG A 61 -1.918 -5.117 -30.873 1.00 1.43 C ATOM 923 CG ARG A 61 -0.950 -3.930 -31.133 1.00 51.20 C ATOM 924 CD ARG A 61 -1.402 -2.621 -30.462 1.00 74.22 C ATOM 925 NE ARG A 61 -0.386 -1.557 -30.600 1.00 62.33 N ATOM 926 CZ ARG A 61 -0.090 -0.630 -29.665 1.00 65.30 C ATOM 927 NH1 ARG A 61 -0.741 -0.584 -28.501 1.00 31.34 N ATOM 928 NH2 ARG A 61 0.853 0.267 -29.924 1.00 32.25 N ATOM 0 H ARG A 61 -3.004 -7.287 -30.254 1.00 13.43 H new ATOM 0 HA ARG A 61 -1.271 -6.489 -32.426 1.00 74.32 H new ATOM 0 HB2 ARG A 61 -2.862 -4.916 -31.379 1.00 1.43 H new ATOM 0 HB3 ARG A 61 -2.132 -5.167 -29.805 1.00 1.43 H new ATOM 0 HG2 ARG A 61 0.043 -4.193 -30.769 1.00 51.20 H new ATOM 0 HG3 ARG A 61 -0.863 -3.769 -32.208 1.00 51.20 H new ATOM 0 HD2 ARG A 61 -2.340 -2.289 -30.907 1.00 74.22 H new ATOM 0 HD3 ARG A 61 -1.598 -2.802 -29.405 1.00 74.22 H new ATOM 0 HE ARG A 61 0.136 -1.520 -31.476 1.00 62.33 H new ATOM 0 HH11 ARG A 61 -1.480 -1.259 -28.303 1.00 31.34 H new ATOM 0 HH12 ARG A 61 -0.500 0.126 -27.809 1.00 31.34 H new ATOM 0 HH21 ARG A 61 1.342 0.249 -30.819 1.00 32.25 H new ATOM 0 HH22 ARG A 61 1.089 0.974 -29.228 1.00 32.25 H new ATOM 942 N HIS A 62 -0.028 -7.152 -29.404 1.00 3.22 N ATOM 943 CA HIS A 62 1.179 -7.281 -28.553 1.00 44.22 C ATOM 944 C HIS A 62 2.137 -8.394 -29.040 1.00 3.22 C ATOM 945 O HIS A 62 3.362 -8.197 -29.079 1.00 33.13 O ATOM 946 CB HIS A 62 0.747 -7.554 -27.091 1.00 45.42 C ATOM 947 CG HIS A 62 1.885 -7.755 -26.117 1.00 3.50 C ATOM 948 ND1 HIS A 62 2.417 -6.753 -25.346 1.00 64.04 N ATOM 949 CD2 HIS A 62 2.580 -8.879 -25.799 1.00 31.12 C ATOM 950 CE1 HIS A 62 3.382 -7.275 -24.594 1.00 33.05 C ATOM 951 NE2 HIS A 62 3.532 -8.571 -24.827 1.00 10.52 N ATOM 0 H HIS A 62 -0.893 -7.368 -28.909 1.00 3.22 H new ATOM 0 HA HIS A 62 1.729 -6.342 -28.617 1.00 44.22 H new ATOM 0 HB2 HIS A 62 0.136 -6.719 -26.746 1.00 45.42 H new ATOM 0 HB3 HIS A 62 0.113 -8.441 -27.075 1.00 45.42 H new ATOM 0 HD1 HIS A 62 2.123 -5.776 -25.349 1.00 64.04 H new ATOM 0 HD2 HIS A 62 2.420 -9.856 -26.231 1.00 31.12 H new ATOM 0 HE1 HIS A 62 3.970 -6.713 -23.883 1.00 33.05 H new ATOM 959 N ILE A 63 1.568 -9.564 -29.370 1.00 1.30 N ATOM 960 CA ILE A 63 2.340 -10.760 -29.780 1.00 54.13 C ATOM 961 C ILE A 63 3.136 -10.495 -31.072 1.00 34.40 C ATOM 962 O ILE A 63 4.176 -11.117 -31.311 1.00 73.05 O ATOM 963 CB ILE A 63 1.421 -12.033 -29.949 1.00 10.13 C ATOM 964 CG1 ILE A 63 0.307 -11.787 -31.021 1.00 34.01 C ATOM 965 CG2 ILE A 63 0.819 -12.461 -28.585 1.00 63.12 C ATOM 966 CD1 ILE A 63 -0.641 -12.958 -31.251 1.00 73.24 C ATOM 0 H ILE A 63 0.559 -9.713 -29.362 1.00 1.30 H new ATOM 0 HA ILE A 63 3.045 -10.968 -28.975 1.00 54.13 H new ATOM 0 HB ILE A 63 2.040 -12.855 -30.310 1.00 10.13 H new ATOM 0 HG12 ILE A 63 -0.280 -10.919 -30.720 1.00 34.01 H new ATOM 0 HG13 ILE A 63 0.785 -11.536 -31.968 1.00 34.01 H new ATOM 0 HG21 ILE A 63 0.189 -13.340 -28.725 1.00 63.12 H new ATOM 0 HG22 ILE A 63 1.625 -12.699 -27.890 1.00 63.12 H new ATOM 0 HG23 ILE A 63 0.219 -11.646 -28.180 1.00 63.12 H new ATOM 0 HD11 ILE A 63 -1.375 -12.688 -32.010 1.00 73.24 H new ATOM 0 HD12 ILE A 63 -0.073 -13.825 -31.587 1.00 73.24 H new ATOM 0 HD13 ILE A 63 -1.154 -13.199 -30.320 1.00 73.24 H new ATOM 978 N LYS A 64 2.624 -9.561 -31.898 1.00 3.02 N ATOM 979 CA LYS A 64 3.258 -9.147 -33.162 1.00 22.15 C ATOM 980 C LYS A 64 4.639 -8.508 -32.921 1.00 2.02 C ATOM 981 O LYS A 64 5.555 -8.694 -33.730 1.00 75.23 O ATOM 982 CB LYS A 64 2.338 -8.166 -33.915 1.00 21.50 C ATOM 983 CG LYS A 64 0.951 -8.740 -34.260 1.00 12.31 C ATOM 984 CD LYS A 64 0.055 -7.734 -35.019 1.00 1.32 C ATOM 985 CE LYS A 64 0.696 -7.241 -36.322 1.00 2.04 C ATOM 986 NZ LYS A 64 -0.190 -6.318 -37.077 1.00 21.43 N ATOM 0 H LYS A 64 1.752 -9.070 -31.703 1.00 3.02 H new ATOM 0 HA LYS A 64 3.409 -10.039 -33.771 1.00 22.15 H new ATOM 0 HB2 LYS A 64 2.207 -7.270 -33.309 1.00 21.50 H new ATOM 0 HB3 LYS A 64 2.831 -7.858 -34.837 1.00 21.50 H new ATOM 0 HG2 LYS A 64 1.075 -9.637 -34.866 1.00 12.31 H new ATOM 0 HG3 LYS A 64 0.450 -9.043 -33.341 1.00 12.31 H new ATOM 0 HD2 LYS A 64 -0.902 -8.204 -35.244 1.00 1.32 H new ATOM 0 HD3 LYS A 64 -0.153 -6.880 -34.375 1.00 1.32 H new ATOM 0 HE2 LYS A 64 1.633 -6.734 -36.093 1.00 2.04 H new ATOM 0 HE3 LYS A 64 0.942 -8.098 -36.949 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 0.288 -6.013 -37.949 1.00 21.43 H new ATOM 0 HZ2 LYS A 64 -1.075 -6.808 -37.320 1.00 21.43 H new ATOM 0 HZ3 LYS A 64 -0.405 -5.486 -36.491 1.00 21.43 H new ATOM 1000 N LEU A 65 4.763 -7.768 -31.798 1.00 4.21 N ATOM 1001 CA LEU A 65 6.041 -7.169 -31.351 1.00 64.35 C ATOM 1002 C LEU A 65 7.087 -8.276 -31.052 1.00 2.44 C ATOM 1003 O LEU A 65 8.281 -8.105 -31.323 1.00 72.14 O ATOM 1004 CB LEU A 65 5.830 -6.253 -30.101 1.00 64.45 C ATOM 1005 CG LEU A 65 5.165 -4.850 -30.350 1.00 62.40 C ATOM 1006 CD1 LEU A 65 3.699 -4.953 -30.817 1.00 13.31 C ATOM 1007 CD2 LEU A 65 5.283 -3.959 -29.097 1.00 74.52 C ATOM 0 H LEU A 65 3.980 -7.569 -31.175 1.00 4.21 H new ATOM 0 HA LEU A 65 6.421 -6.545 -32.160 1.00 64.35 H new ATOM 0 HB2 LEU A 65 5.216 -6.796 -29.382 1.00 64.45 H new ATOM 0 HB3 LEU A 65 6.801 -6.090 -29.633 1.00 64.45 H new ATOM 0 HG LEU A 65 5.717 -4.384 -31.167 1.00 62.40 H new ATOM 0 HD11 LEU A 65 3.295 -3.952 -30.972 1.00 13.31 H new ATOM 0 HD12 LEU A 65 3.653 -5.511 -31.752 1.00 13.31 H new ATOM 0 HD13 LEU A 65 3.111 -5.468 -30.058 1.00 13.31 H new ATOM 0 HD21 LEU A 65 4.816 -2.993 -29.292 1.00 74.52 H new ATOM 0 HD22 LEU A 65 4.781 -4.442 -28.259 1.00 74.52 H new ATOM 0 HD23 LEU A 65 6.335 -3.811 -28.854 1.00 74.52 H new ATOM 1019 N HIS A 66 6.605 -9.411 -30.501 1.00 53.54 N ATOM 1020 CA HIS A 66 7.431 -10.617 -30.263 1.00 51.21 C ATOM 1021 C HIS A 66 7.733 -11.367 -31.585 1.00 73.22 C ATOM 1022 O HIS A 66 8.716 -12.108 -31.665 1.00 64.23 O ATOM 1023 CB HIS A 66 6.728 -11.569 -29.259 1.00 62.32 C ATOM 1024 CG HIS A 66 6.703 -11.078 -27.838 1.00 4.45 C ATOM 1025 ND1 HIS A 66 7.668 -11.406 -26.915 1.00 43.22 N ATOM 1026 CD2 HIS A 66 5.800 -10.307 -27.177 1.00 40.14 C ATOM 1027 CE1 HIS A 66 7.342 -10.854 -25.750 1.00 21.52 C ATOM 1028 NE2 HIS A 66 6.213 -10.169 -25.842 1.00 52.25 N ATOM 0 H HIS A 66 5.634 -9.518 -30.209 1.00 53.54 H new ATOM 0 HA HIS A 66 8.379 -10.288 -29.837 1.00 51.21 H new ATOM 0 HB2 HIS A 66 5.703 -11.731 -29.591 1.00 62.32 H new ATOM 0 HB3 HIS A 66 7.229 -12.537 -29.286 1.00 62.32 H new ATOM 0 HD1 HIS A 66 8.494 -11.976 -27.094 1.00 43.22 H new ATOM 0 HD2 HIS A 66 4.910 -9.872 -27.608 1.00 40.14 H new ATOM 0 HE1 HIS A 66 7.923 -10.952 -24.845 1.00 21.52 H new ATOM 1036 N SER A 67 6.852 -11.179 -32.595 1.00 20.23 N ATOM 1037 CA SER A 67 7.008 -11.734 -33.963 1.00 20.54 C ATOM 1038 C SER A 67 6.900 -13.276 -34.008 1.00 22.42 C ATOM 1039 O SER A 67 7.342 -13.897 -34.984 1.00 50.35 O ATOM 1040 CB SER A 67 8.333 -11.239 -34.608 1.00 51.42 C ATOM 1041 OG SER A 67 8.355 -9.825 -34.711 1.00 3.53 O ATOM 0 H SER A 67 6.000 -10.630 -32.482 1.00 20.23 H new ATOM 0 HA SER A 67 6.172 -11.358 -34.552 1.00 20.54 H new ATOM 0 HB2 SER A 67 9.180 -11.576 -34.010 1.00 51.42 H new ATOM 0 HB3 SER A 67 8.446 -11.680 -35.598 1.00 51.42 H new ATOM 0 HG SER A 67 7.501 -9.461 -34.397 1.00 3.53 H new ATOM 1047 N GLY A 68 6.267 -13.867 -32.973 1.00 21.50 N ATOM 1048 CA GLY A 68 6.093 -15.318 -32.876 1.00 1.41 C ATOM 1049 C GLY A 68 5.223 -15.888 -33.998 1.00 64.25 C ATOM 1050 O GLY A 68 5.714 -16.626 -34.869 1.00 53.01 O ATOM 0 H GLY A 68 5.867 -13.350 -32.190 1.00 21.50 H new ATOM 0 HA2 GLY A 68 7.071 -15.799 -32.901 1.00 1.41 H new ATOM 0 HA3 GLY A 68 5.642 -15.562 -31.914 1.00 1.41 H new ATOM 1054 N GLU A 69 3.928 -15.525 -33.972 1.00 20.44 N ATOM 1055 CA GLU A 69 2.933 -15.931 -34.981 1.00 1.33 C ATOM 1056 C GLU A 69 2.014 -14.730 -35.293 1.00 12.22 C ATOM 1057 O GLU A 69 1.096 -14.430 -34.516 1.00 70.31 O ATOM 1058 CB GLU A 69 2.085 -17.141 -34.476 1.00 75.43 C ATOM 1059 CG GLU A 69 2.870 -18.443 -34.232 1.00 2.01 C ATOM 1060 CD GLU A 69 1.983 -19.588 -33.719 1.00 45.20 C ATOM 1061 OE1 GLU A 69 1.582 -19.557 -32.536 1.00 22.11 O ATOM 1062 OE2 GLU A 69 1.668 -20.517 -34.495 1.00 44.23 O ATOM 0 H GLU A 69 3.538 -14.933 -33.239 1.00 20.44 H new ATOM 0 HA GLU A 69 3.453 -16.244 -35.886 1.00 1.33 H new ATOM 0 HB2 GLU A 69 1.592 -16.855 -33.547 1.00 75.43 H new ATOM 0 HB3 GLU A 69 1.300 -17.342 -35.205 1.00 75.43 H new ATOM 0 HG2 GLU A 69 3.351 -18.751 -35.160 1.00 2.01 H new ATOM 0 HG3 GLU A 69 3.664 -18.253 -33.509 1.00 2.01 H new ATOM 1069 N LYS A 70 2.319 -13.995 -36.379 1.00 30.40 N ATOM 1070 CA LYS A 70 1.464 -12.895 -36.887 1.00 53.35 C ATOM 1071 C LYS A 70 1.244 -13.086 -38.406 1.00 21.03 C ATOM 1072 O LYS A 70 2.143 -13.584 -39.084 1.00 50.21 O ATOM 1073 CB LYS A 70 2.101 -11.508 -36.583 1.00 25.22 C ATOM 1074 CG LYS A 70 3.431 -11.209 -37.308 1.00 25.51 C ATOM 1075 CD LYS A 70 3.965 -9.801 -36.970 1.00 41.00 C ATOM 1076 CE LYS A 70 5.293 -9.469 -37.666 1.00 35.55 C ATOM 1077 NZ LYS A 70 6.416 -10.323 -37.191 1.00 43.11 N ATOM 0 H LYS A 70 3.163 -14.143 -36.932 1.00 30.40 H new ATOM 0 HA LYS A 70 0.500 -12.925 -36.379 1.00 53.35 H new ATOM 0 HB2 LYS A 70 1.382 -10.733 -36.847 1.00 25.22 H new ATOM 0 HB3 LYS A 70 2.269 -11.434 -35.509 1.00 25.22 H new ATOM 0 HG2 LYS A 70 4.174 -11.956 -37.028 1.00 25.51 H new ATOM 0 HG3 LYS A 70 3.285 -11.293 -38.385 1.00 25.51 H new ATOM 0 HD2 LYS A 70 3.219 -9.059 -37.255 1.00 41.00 H new ATOM 0 HD3 LYS A 70 4.099 -9.721 -35.891 1.00 41.00 H new ATOM 0 HE2 LYS A 70 5.176 -9.594 -38.742 1.00 35.55 H new ATOM 0 HE3 LYS A 70 5.539 -8.421 -37.492 1.00 35.55 H new ATOM 0 HZ1 LYS A 70 6.986 -10.631 -38.004 1.00 43.11 H new ATOM 0 HZ2 LYS A 70 7.013 -9.779 -36.536 1.00 43.11 H new ATOM 0 HZ3 LYS A 70 6.035 -11.157 -36.700 1.00 43.11 H new ATOM 1091 N PRO A 71 0.045 -12.709 -38.959 1.00 23.04 N ATOM 1092 CA PRO A 71 -0.292 -12.933 -40.398 1.00 71.14 C ATOM 1093 C PRO A 71 0.571 -12.141 -41.414 1.00 12.22 C ATOM 1094 O PRO A 71 0.554 -12.454 -42.611 1.00 54.42 O ATOM 1095 CB PRO A 71 -1.779 -12.528 -40.482 1.00 33.11 C ATOM 1096 CG PRO A 71 -1.988 -11.586 -39.333 1.00 2.00 C ATOM 1097 CD PRO A 71 -1.095 -12.091 -38.222 1.00 23.42 C ATOM 0 HA PRO A 71 -0.089 -13.966 -40.681 1.00 71.14 H new ATOM 0 HB2 PRO A 71 -2.004 -12.047 -41.434 1.00 33.11 H new ATOM 0 HB3 PRO A 71 -2.431 -13.398 -40.403 1.00 33.11 H new ATOM 0 HG2 PRO A 71 -1.727 -10.565 -39.611 1.00 2.00 H new ATOM 0 HG3 PRO A 71 -3.032 -11.574 -39.021 1.00 2.00 H new ATOM 0 HD2 PRO A 71 -0.763 -11.281 -37.572 1.00 23.42 H new ATOM 0 HD3 PRO A 71 -1.608 -12.817 -37.591 1.00 23.42 H new ATOM 1105 N PHE A 72 1.295 -11.118 -40.942 1.00 54.21 N ATOM 1106 CA PHE A 72 2.259 -10.368 -41.780 1.00 71.01 C ATOM 1107 C PHE A 72 3.661 -10.960 -41.606 1.00 14.10 C ATOM 1108 O PHE A 72 4.399 -10.608 -40.674 1.00 2.23 O ATOM 1109 CB PHE A 72 2.236 -8.833 -41.482 1.00 43.40 C ATOM 1110 CG PHE A 72 1.118 -8.059 -42.186 1.00 23.03 C ATOM 1111 CD1 PHE A 72 -0.151 -8.616 -42.341 1.00 43.40 C ATOM 1112 CD2 PHE A 72 1.340 -6.775 -42.692 1.00 70.13 C ATOM 1113 CE1 PHE A 72 -1.159 -7.918 -42.972 1.00 13.51 C ATOM 1114 CE2 PHE A 72 0.331 -6.075 -43.326 1.00 72.31 C ATOM 1115 CZ PHE A 72 -0.919 -6.645 -43.464 1.00 43.00 C ATOM 0 H PHE A 72 1.236 -10.784 -39.980 1.00 54.21 H new ATOM 0 HA PHE A 72 1.960 -10.474 -42.823 1.00 71.01 H new ATOM 0 HB2 PHE A 72 2.138 -8.687 -40.406 1.00 43.40 H new ATOM 0 HB3 PHE A 72 3.195 -8.406 -41.775 1.00 43.40 H new ATOM 0 HD1 PHE A 72 -0.347 -9.608 -41.962 1.00 43.40 H new ATOM 0 HD2 PHE A 72 2.315 -6.323 -42.586 1.00 70.13 H new ATOM 0 HE1 PHE A 72 -2.136 -8.364 -43.083 1.00 13.51 H new ATOM 0 HE2 PHE A 72 0.520 -5.084 -43.713 1.00 72.31 H new ATOM 0 HZ PHE A 72 -1.710 -6.098 -43.956 1.00 43.00 H new ATOM 1125 N LYS A 73 3.973 -11.914 -42.483 1.00 1.41 N ATOM 1126 CA LYS A 73 5.318 -12.527 -42.578 1.00 15.51 C ATOM 1127 C LYS A 73 6.161 -11.722 -43.599 1.00 45.40 C ATOM 1128 O LYS A 73 7.074 -10.976 -43.185 1.00 63.10 O ATOM 1129 CB LYS A 73 5.251 -14.034 -42.995 1.00 72.21 C ATOM 1130 CG LYS A 73 4.444 -14.966 -42.054 1.00 41.40 C ATOM 1131 CD LYS A 73 2.916 -14.841 -42.246 1.00 44.22 C ATOM 1132 CE LYS A 73 2.111 -15.787 -41.338 1.00 55.14 C ATOM 1133 NZ LYS A 73 2.370 -17.222 -41.640 1.00 13.23 N ATOM 1134 OXT LYS A 73 5.865 -11.798 -44.814 1.00 36.45 O ATOM 0 H LYS A 73 3.305 -12.292 -43.154 1.00 1.41 H new ATOM 0 HA LYS A 73 5.783 -12.493 -41.593 1.00 15.51 H new ATOM 0 HB2 LYS A 73 4.817 -14.095 -43.993 1.00 72.21 H new ATOM 0 HB3 LYS A 73 6.269 -14.416 -43.066 1.00 72.21 H new ATOM 0 HG2 LYS A 73 4.744 -15.999 -42.230 1.00 41.40 H new ATOM 0 HG3 LYS A 73 4.695 -14.734 -41.019 1.00 41.40 H new ATOM 0 HD2 LYS A 73 2.614 -13.813 -42.047 1.00 44.22 H new ATOM 0 HD3 LYS A 73 2.669 -15.050 -43.287 1.00 44.22 H new ATOM 0 HE2 LYS A 73 2.362 -15.587 -40.296 1.00 55.14 H new ATOM 0 HE3 LYS A 73 1.047 -15.580 -41.455 1.00 55.14 H new ATOM 0 HZ1 LYS A 73 1.743 -17.817 -41.062 1.00 13.23 H new ATOM 0 HZ2 LYS A 73 2.187 -17.403 -42.648 1.00 13.23 H new ATOM 0 HZ3 LYS A 73 3.361 -17.449 -41.422 1.00 13.23 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.100 -9.827 -24.309 1.00 5.03 ZN