USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=12 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 Set 1.1: A 47 ASN : amide:sc= 0 K(o=-3.3,f=-3.9) USER MOD Set 1.2: A 66 HIS : no HD1:sc= -3.31! C(o=-3.3!,f=-5.1!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=-0.28) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 6 HIS : no HD1:sc= 0 X(o=0,f=0.27) USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0636) USER MOD Single : A 3 HIS : no HD1:sc= -0.0712 X(o=-0.071,f=-0.088) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 5 HIS : no HD1:sc= -0.423 K(o=-0.42,f=0.078) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) 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 36:sc= 0.0602 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -4:sc= 0.121 USER MOD Single : A 29 ASN : amide:sc= 1.27 K(o=1.3,f=-1.8!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) 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 -13:sc= 0.396 USER MOD Single : A 38 HIS : no HD1:sc= -0.391 X(o=-0.39,f=0.087) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.65) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0235) USER MOD Single : A 58 ASN : amide:sc= -0.509 K(o=-0.51,f=-3.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 62:sc= 0.0118 USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= 1.11 (180deg=0.171) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -80.320 -51.437 52.811 1.00 14.33 N ATOM 2 CA MET A 1 -79.408 -52.143 51.876 1.00 40.35 C ATOM 3 C MET A 1 -78.165 -51.270 51.638 1.00 31.10 C ATOM 4 O MET A 1 -78.293 -50.110 51.224 1.00 41.21 O ATOM 5 CB MET A 1 -80.132 -52.468 50.533 1.00 23.02 C ATOM 6 CG MET A 1 -81.382 -53.341 50.677 1.00 51.01 C ATOM 7 SD MET A 1 -82.141 -53.739 49.084 1.00 3.41 S ATOM 8 CE MET A 1 -83.516 -54.786 49.574 1.00 10.55 C ATOM 0 H1 MET A 1 -81.115 -52.061 53.058 1.00 14.33 H new ATOM 0 H2 MET A 1 -79.801 -51.179 53.674 1.00 14.33 H new ATOM 0 H3 MET A 1 -80.685 -50.576 52.356 1.00 14.33 H new ATOM 0 HA MET A 1 -79.101 -53.092 52.315 1.00 40.35 H new ATOM 0 HB2 MET A 1 -80.413 -51.532 50.051 1.00 23.02 H new ATOM 0 HB3 MET A 1 -79.429 -52.970 49.869 1.00 23.02 H new ATOM 0 HG2 MET A 1 -81.118 -54.266 51.190 1.00 51.01 H new ATOM 0 HG3 MET A 1 -82.110 -52.826 51.303 1.00 51.01 H new ATOM 0 HE1 MET A 1 -84.067 -55.101 48.688 1.00 10.55 H new ATOM 0 HE2 MET A 1 -83.137 -55.664 50.097 1.00 10.55 H new ATOM 0 HE3 MET A 1 -84.180 -54.229 50.235 1.00 10.55 H new ATOM 20 N GLY A 2 -76.969 -51.834 51.913 1.00 20.32 N ATOM 21 CA GLY A 2 -75.702 -51.112 51.783 1.00 52.10 C ATOM 22 C GLY A 2 -74.603 -51.988 51.209 1.00 41.15 C ATOM 23 O GLY A 2 -73.883 -52.672 51.951 1.00 4.14 O ATOM 0 H GLY A 2 -76.863 -52.798 52.229 1.00 20.32 H new ATOM 0 HA2 GLY A 2 -75.845 -50.243 51.141 1.00 52.10 H new ATOM 0 HA3 GLY A 2 -75.395 -50.740 52.760 1.00 52.10 H new ATOM 27 N HIS A 3 -74.480 -51.981 49.877 1.00 74.41 N ATOM 28 CA HIS A 3 -73.417 -52.693 49.155 1.00 0.51 C ATOM 29 C HIS A 3 -72.566 -51.665 48.381 1.00 71.40 C ATOM 30 O HIS A 3 -72.291 -51.809 47.187 1.00 53.33 O ATOM 31 CB HIS A 3 -74.068 -53.766 48.230 1.00 53.31 C ATOM 32 CG HIS A 3 -73.117 -54.683 47.486 1.00 2.32 C ATOM 33 ND1 HIS A 3 -73.166 -54.868 46.116 1.00 61.14 N ATOM 34 CD2 HIS A 3 -72.136 -55.510 47.928 1.00 13.02 C ATOM 35 CE1 HIS A 3 -72.266 -55.757 45.753 1.00 62.31 C ATOM 36 NE2 HIS A 3 -71.630 -56.159 46.830 1.00 11.25 N ATOM 0 H HIS A 3 -75.120 -51.477 49.264 1.00 74.41 H new ATOM 0 HA HIS A 3 -72.749 -53.217 49.839 1.00 0.51 H new ATOM 0 HB2 HIS A 3 -74.732 -54.382 48.836 1.00 53.31 H new ATOM 0 HB3 HIS A 3 -74.691 -53.253 47.497 1.00 53.31 H new ATOM 0 HD2 HIS A 3 -71.814 -55.634 48.951 1.00 13.02 H new ATOM 0 HE1 HIS A 3 -72.082 -56.097 44.745 1.00 62.31 H new ATOM 0 HE2 HIS A 3 -70.877 -56.847 46.847 1.00 11.25 H new ATOM 45 N HIS A 4 -72.146 -50.608 49.097 1.00 60.23 N ATOM 46 CA HIS A 4 -71.246 -49.581 48.546 1.00 21.31 C ATOM 47 C HIS A 4 -69.794 -50.092 48.644 1.00 12.43 C ATOM 48 O HIS A 4 -69.146 -49.957 49.687 1.00 62.02 O ATOM 49 CB HIS A 4 -71.393 -48.228 49.297 1.00 53.22 C ATOM 50 CG HIS A 4 -72.795 -47.669 49.363 1.00 4.21 C ATOM 51 ND1 HIS A 4 -73.364 -47.173 50.521 1.00 51.44 N ATOM 52 CD2 HIS A 4 -73.730 -47.500 48.398 1.00 11.22 C ATOM 53 CE1 HIS A 4 -74.577 -46.733 50.260 1.00 42.32 C ATOM 54 NE2 HIS A 4 -74.822 -46.920 48.982 1.00 42.33 N ATOM 0 H HIS A 4 -72.418 -50.442 50.066 1.00 60.23 H new ATOM 0 HA HIS A 4 -71.513 -49.402 47.504 1.00 21.31 H new ATOM 0 HB2 HIS A 4 -71.023 -48.355 50.314 1.00 53.22 H new ATOM 0 HB3 HIS A 4 -70.750 -47.493 48.814 1.00 53.22 H new ATOM 0 HD2 HIS A 4 -73.631 -47.773 47.358 1.00 11.22 H new ATOM 0 HE1 HIS A 4 -75.256 -46.293 50.975 1.00 42.32 H new ATOM 0 HE2 HIS A 4 -75.688 -46.672 48.503 1.00 42.33 H new ATOM 63 N HIS A 5 -69.315 -50.722 47.564 1.00 3.44 N ATOM 64 CA HIS A 5 -67.941 -51.271 47.475 1.00 41.33 C ATOM 65 C HIS A 5 -67.078 -50.455 46.480 1.00 31.52 C ATOM 66 O HIS A 5 -65.988 -50.886 46.083 1.00 52.44 O ATOM 67 CB HIS A 5 -68.003 -52.781 47.117 1.00 24.05 C ATOM 68 CG HIS A 5 -68.643 -53.104 45.789 1.00 75.32 C ATOM 69 ND1 HIS A 5 -67.915 -53.494 44.693 1.00 64.45 N ATOM 70 CD2 HIS A 5 -69.941 -53.136 45.394 1.00 30.01 C ATOM 71 CE1 HIS A 5 -68.719 -53.751 43.689 1.00 22.14 C ATOM 72 NE2 HIS A 5 -69.955 -53.543 44.089 1.00 63.13 N ATOM 0 H HIS A 5 -69.867 -50.870 46.719 1.00 3.44 H new ATOM 0 HA HIS A 5 -67.452 -51.181 48.445 1.00 41.33 H new ATOM 0 HB2 HIS A 5 -66.989 -53.180 47.119 1.00 24.05 H new ATOM 0 HB3 HIS A 5 -68.552 -53.301 47.902 1.00 24.05 H new ATOM 0 HD2 HIS A 5 -70.801 -52.887 45.997 1.00 30.01 H new ATOM 0 HE1 HIS A 5 -68.418 -54.077 42.704 1.00 22.14 H new ATOM 0 HE2 HIS A 5 -70.790 -53.666 43.517 1.00 63.13 H new ATOM 81 N HIS A 6 -67.576 -49.249 46.122 1.00 32.34 N ATOM 82 CA HIS A 6 -66.823 -48.227 45.361 1.00 72.12 C ATOM 83 C HIS A 6 -67.501 -46.860 45.551 1.00 32.32 C ATOM 84 O HIS A 6 -68.731 -46.768 45.557 1.00 63.44 O ATOM 85 CB HIS A 6 -66.694 -48.577 43.829 1.00 23.22 C ATOM 86 CG HIS A 6 -65.338 -49.115 43.424 1.00 21.12 C ATOM 87 ND1 HIS A 6 -65.106 -50.434 43.110 1.00 30.24 N ATOM 88 CD2 HIS A 6 -64.149 -48.486 43.269 1.00 1.43 C ATOM 89 CE1 HIS A 6 -63.835 -50.592 42.793 1.00 21.04 C ATOM 90 NE2 HIS A 6 -63.232 -49.425 42.879 1.00 35.31 N ATOM 0 H HIS A 6 -68.524 -48.955 46.357 1.00 32.34 H new ATOM 0 HA HIS A 6 -65.806 -48.199 45.752 1.00 72.12 H new ATOM 0 HB2 HIS A 6 -67.455 -49.313 43.571 1.00 23.22 H new ATOM 0 HB3 HIS A 6 -66.906 -47.681 43.245 1.00 23.22 H new ATOM 0 HD2 HIS A 6 -63.959 -47.434 43.425 1.00 1.43 H new ATOM 0 HE1 HIS A 6 -63.367 -51.523 42.510 1.00 21.04 H new ATOM 0 HE2 HIS A 6 -62.246 -49.249 42.687 1.00 35.31 H new ATOM 99 N HIS A 7 -66.672 -45.816 45.712 1.00 11.34 N ATOM 100 CA HIS A 7 -67.119 -44.413 45.874 1.00 75.34 C ATOM 101 C HIS A 7 -66.351 -43.521 44.876 1.00 54.04 C ATOM 102 O HIS A 7 -65.210 -43.115 45.154 1.00 12.31 O ATOM 103 CB HIS A 7 -66.905 -43.911 47.342 1.00 1.55 C ATOM 104 CG HIS A 7 -67.914 -44.409 48.353 1.00 12.30 C ATOM 105 ND1 HIS A 7 -68.858 -43.590 48.943 1.00 63.03 N ATOM 106 CD2 HIS A 7 -68.105 -45.635 48.890 1.00 2.15 C ATOM 107 CE1 HIS A 7 -69.579 -44.292 49.795 1.00 12.43 C ATOM 108 NE2 HIS A 7 -69.143 -45.534 49.782 1.00 21.32 N ATOM 0 H HIS A 7 -65.657 -45.919 45.734 1.00 11.34 H new ATOM 0 HA HIS A 7 -68.188 -44.358 45.667 1.00 75.34 H new ATOM 0 HB2 HIS A 7 -65.910 -44.212 47.669 1.00 1.55 H new ATOM 0 HB3 HIS A 7 -66.924 -42.821 47.341 1.00 1.55 H new ATOM 0 HD2 HIS A 7 -67.544 -46.529 48.660 1.00 2.15 H new ATOM 0 HE1 HIS A 7 -70.389 -43.913 50.400 1.00 12.43 H new ATOM 0 HE2 HIS A 7 -69.517 -46.298 50.345 1.00 21.32 H new ATOM 117 N HIS A 8 -66.985 -43.258 43.710 1.00 11.34 N ATOM 118 CA HIS A 8 -66.396 -42.491 42.587 1.00 31.12 C ATOM 119 C HIS A 8 -65.102 -43.176 42.086 1.00 25.51 C ATOM 120 O HIS A 8 -64.002 -42.882 42.562 1.00 40.10 O ATOM 121 CB HIS A 8 -66.155 -40.988 42.964 1.00 73.42 C ATOM 122 CG HIS A 8 -65.566 -40.136 41.861 1.00 33.24 C ATOM 123 ND1 HIS A 8 -64.724 -39.068 42.101 1.00 30.14 N ATOM 124 CD2 HIS A 8 -65.708 -40.187 40.513 1.00 31.52 C ATOM 125 CE1 HIS A 8 -64.377 -38.510 40.959 1.00 71.52 C ATOM 126 NE2 HIS A 8 -64.959 -39.169 39.983 1.00 20.22 N ATOM 0 H HIS A 8 -67.935 -43.577 43.520 1.00 11.34 H new ATOM 0 HA HIS A 8 -67.115 -42.489 41.768 1.00 31.12 H new ATOM 0 HB2 HIS A 8 -67.104 -40.550 43.272 1.00 73.42 H new ATOM 0 HB3 HIS A 8 -65.490 -40.948 43.827 1.00 73.42 H new ATOM 0 HD2 HIS A 8 -66.302 -40.899 39.959 1.00 31.52 H new ATOM 0 HE1 HIS A 8 -63.725 -37.656 40.845 1.00 71.52 H new ATOM 0 HE2 HIS A 8 -64.868 -38.957 38.989 1.00 20.22 H new ATOM 135 N SER A 9 -65.260 -44.126 41.155 1.00 30.53 N ATOM 136 CA SER A 9 -64.151 -44.914 40.595 1.00 2.43 C ATOM 137 C SER A 9 -63.273 -44.064 39.643 1.00 75.44 C ATOM 138 O SER A 9 -63.661 -42.962 39.221 1.00 62.35 O ATOM 139 CB SER A 9 -64.732 -46.143 39.864 1.00 54.14 C ATOM 140 OG SER A 9 -65.566 -46.913 40.720 1.00 42.24 O ATOM 0 H SER A 9 -66.170 -44.373 40.765 1.00 30.53 H new ATOM 0 HA SER A 9 -63.504 -45.245 41.407 1.00 2.43 H new ATOM 0 HB2 SER A 9 -65.304 -45.815 38.996 1.00 54.14 H new ATOM 0 HB3 SER A 9 -63.918 -46.765 39.492 1.00 54.14 H new ATOM 0 HG SER A 9 -65.919 -47.683 40.227 1.00 42.24 H new ATOM 146 N HIS A 10 -62.078 -44.594 39.325 1.00 2.25 N ATOM 147 CA HIS A 10 -61.106 -43.963 38.407 1.00 61.04 C ATOM 148 C HIS A 10 -60.471 -45.036 37.511 1.00 21.52 C ATOM 149 O HIS A 10 -60.595 -46.235 37.769 1.00 30.20 O ATOM 150 CB HIS A 10 -59.997 -43.209 39.205 1.00 12.24 C ATOM 151 CG HIS A 10 -60.475 -41.947 39.886 1.00 34.51 C ATOM 152 ND1 HIS A 10 -60.486 -41.777 41.256 1.00 74.21 N ATOM 153 CD2 HIS A 10 -60.933 -40.780 39.369 1.00 43.20 C ATOM 154 CE1 HIS A 10 -60.927 -40.570 41.547 1.00 21.14 C ATOM 155 NE2 HIS A 10 -61.204 -39.946 40.420 1.00 50.24 N ATOM 0 H HIS A 10 -61.754 -45.484 39.702 1.00 2.25 H new ATOM 0 HA HIS A 10 -61.633 -43.238 37.787 1.00 61.04 H new ATOM 0 HB2 HIS A 10 -59.586 -43.881 39.958 1.00 12.24 H new ATOM 0 HB3 HIS A 10 -59.184 -42.956 38.525 1.00 12.24 H new ATOM 0 HD2 HIS A 10 -61.060 -40.551 38.321 1.00 43.20 H new ATOM 0 HE1 HIS A 10 -61.042 -40.162 42.540 1.00 21.14 H new ATOM 0 HE2 HIS A 10 -61.563 -38.994 40.343 1.00 50.24 H new ATOM 164 N MET A 11 -59.832 -44.569 36.429 1.00 31.10 N ATOM 165 CA MET A 11 -59.005 -45.391 35.520 1.00 44.33 C ATOM 166 C MET A 11 -57.555 -44.851 35.528 1.00 74.12 C ATOM 167 O MET A 11 -57.355 -43.667 35.826 1.00 34.14 O ATOM 168 CB MET A 11 -59.593 -45.375 34.069 1.00 11.13 C ATOM 169 CG MET A 11 -60.887 -46.182 33.909 1.00 11.13 C ATOM 170 SD MET A 11 -61.449 -46.263 32.195 1.00 34.42 S ATOM 171 CE MET A 11 -62.838 -47.396 32.312 1.00 34.13 C ATOM 0 H MET A 11 -59.874 -43.588 36.151 1.00 31.10 H new ATOM 0 HA MET A 11 -59.007 -46.424 35.866 1.00 44.33 H new ATOM 0 HB2 MET A 11 -59.783 -44.342 33.777 1.00 11.13 H new ATOM 0 HB3 MET A 11 -58.845 -45.768 33.381 1.00 11.13 H new ATOM 0 HG2 MET A 11 -60.728 -47.193 34.283 1.00 11.13 H new ATOM 0 HG3 MET A 11 -61.668 -45.734 34.523 1.00 11.13 H new ATOM 0 HE1 MET A 11 -63.278 -47.535 31.325 1.00 34.13 H new ATOM 0 HE2 MET A 11 -62.493 -48.357 32.694 1.00 34.13 H new ATOM 0 HE3 MET A 11 -63.587 -46.984 32.988 1.00 34.13 H new ATOM 181 N PRO A 12 -56.517 -45.700 35.204 1.00 13.25 N ATOM 182 CA PRO A 12 -55.093 -45.244 35.088 1.00 55.41 C ATOM 183 C PRO A 12 -54.884 -44.183 33.982 1.00 72.10 C ATOM 184 O PRO A 12 -55.789 -43.923 33.172 1.00 74.45 O ATOM 185 CB PRO A 12 -54.325 -46.558 34.762 1.00 71.41 C ATOM 186 CG PRO A 12 -55.357 -47.483 34.198 1.00 12.24 C ATOM 187 CD PRO A 12 -56.620 -47.171 34.963 1.00 2.43 C ATOM 0 HA PRO A 12 -54.749 -44.749 35.996 1.00 55.41 H new ATOM 0 HB2 PRO A 12 -53.523 -46.379 34.046 1.00 71.41 H new ATOM 0 HB3 PRO A 12 -53.866 -46.978 35.657 1.00 71.41 H new ATOM 0 HG2 PRO A 12 -55.492 -47.319 33.129 1.00 12.24 H new ATOM 0 HG3 PRO A 12 -55.065 -48.525 34.326 1.00 12.24 H new ATOM 0 HD2 PRO A 12 -57.512 -47.424 34.389 1.00 2.43 H new ATOM 0 HD3 PRO A 12 -56.673 -47.730 35.897 1.00 2.43 H new ATOM 195 N ASN A 13 -53.674 -43.590 33.947 1.00 71.44 N ATOM 196 CA ASN A 13 -53.318 -42.498 33.008 1.00 34.14 C ATOM 197 C ASN A 13 -51.804 -42.479 32.742 1.00 34.45 C ATOM 198 O ASN A 13 -51.056 -43.279 33.309 1.00 63.34 O ATOM 199 CB ASN A 13 -53.805 -41.125 33.560 1.00 33.24 C ATOM 200 CG ASN A 13 -53.170 -40.736 34.905 1.00 35.41 C ATOM 201 OD1 ASN A 13 -52.145 -40.054 34.958 1.00 24.43 O ATOM 202 ND2 ASN A 13 -53.770 -41.180 35.994 1.00 52.04 N ATOM 0 H ASN A 13 -52.911 -43.853 34.570 1.00 71.44 H new ATOM 0 HA ASN A 13 -53.822 -42.682 32.059 1.00 34.14 H new ATOM 0 HB2 ASN A 13 -53.583 -40.350 32.827 1.00 33.24 H new ATOM 0 HB3 ASN A 13 -54.888 -41.154 33.675 1.00 33.24 H new ATOM 0 HD21 ASN A 13 -53.386 -40.961 36.913 1.00 52.04 H new ATOM 0 HD22 ASN A 13 -54.617 -41.742 35.916 1.00 52.04 H new ATOM 209 N GLY A 14 -51.372 -41.553 31.872 1.00 0.41 N ATOM 210 CA GLY A 14 -49.966 -41.415 31.495 1.00 51.22 C ATOM 211 C GLY A 14 -49.819 -41.421 29.987 1.00 51.40 C ATOM 212 O GLY A 14 -49.973 -42.471 29.355 1.00 4.32 O ATOM 0 H GLY A 14 -51.990 -40.883 31.414 1.00 0.41 H new ATOM 0 HA2 GLY A 14 -49.563 -40.487 31.902 1.00 51.22 H new ATOM 0 HA3 GLY A 14 -49.386 -42.231 31.926 1.00 51.22 H new ATOM 216 N LYS A 15 -49.543 -40.241 29.409 1.00 73.13 N ATOM 217 CA LYS A 15 -49.404 -40.051 27.954 1.00 23.32 C ATOM 218 C LYS A 15 -48.221 -39.108 27.640 1.00 30.02 C ATOM 219 O LYS A 15 -47.902 -38.206 28.429 1.00 52.33 O ATOM 220 CB LYS A 15 -50.754 -39.554 27.315 1.00 31.00 C ATOM 221 CG LYS A 15 -51.602 -38.566 28.160 1.00 14.34 C ATOM 222 CD LYS A 15 -50.966 -37.173 28.368 1.00 12.24 C ATOM 223 CE LYS A 15 -51.813 -36.257 29.269 1.00 34.00 C ATOM 224 NZ LYS A 15 -51.155 -34.940 29.497 1.00 62.31 N ATOM 0 H LYS A 15 -49.408 -39.383 29.943 1.00 73.13 H new ATOM 0 HA LYS A 15 -49.179 -41.015 27.497 1.00 23.32 H new ATOM 0 HB2 LYS A 15 -50.524 -39.077 26.362 1.00 31.00 H new ATOM 0 HB3 LYS A 15 -51.368 -40.427 27.094 1.00 31.00 H new ATOM 0 HG2 LYS A 15 -52.571 -38.438 27.678 1.00 14.34 H new ATOM 0 HG3 LYS A 15 -51.788 -39.013 29.136 1.00 14.34 H new ATOM 0 HD2 LYS A 15 -49.976 -37.293 28.808 1.00 12.24 H new ATOM 0 HD3 LYS A 15 -50.828 -36.694 27.399 1.00 12.24 H new ATOM 0 HE2 LYS A 15 -52.790 -36.100 28.812 1.00 34.00 H new ATOM 0 HE3 LYS A 15 -51.985 -36.748 30.227 1.00 34.00 H new ATOM 0 HZ1 LYS A 15 -51.757 -34.352 30.108 1.00 62.31 H new ATOM 0 HZ2 LYS A 15 -50.234 -35.087 29.957 1.00 62.31 H new ATOM 0 HZ3 LYS A 15 -51.014 -34.460 28.585 1.00 62.31 H new ATOM 238 N LEU A 16 -47.560 -39.361 26.494 1.00 32.31 N ATOM 239 CA LEU A 16 -46.410 -38.567 25.997 1.00 24.22 C ATOM 240 C LEU A 16 -46.659 -38.167 24.531 1.00 53.42 C ATOM 241 O LEU A 16 -47.404 -38.849 23.817 1.00 41.12 O ATOM 242 CB LEU A 16 -45.062 -39.363 26.094 1.00 24.22 C ATOM 243 CG LEU A 16 -44.462 -39.642 27.529 1.00 10.33 C ATOM 244 CD1 LEU A 16 -44.416 -38.362 28.409 1.00 64.21 C ATOM 245 CD2 LEU A 16 -45.188 -40.804 28.253 1.00 21.34 C ATOM 0 H LEU A 16 -47.810 -40.133 25.876 1.00 32.31 H new ATOM 0 HA LEU A 16 -46.322 -37.681 26.625 1.00 24.22 H new ATOM 0 HB2 LEU A 16 -45.207 -40.324 25.601 1.00 24.22 H new ATOM 0 HB3 LEU A 16 -44.312 -38.819 25.519 1.00 24.22 H new ATOM 0 HG LEU A 16 -43.431 -39.957 27.371 1.00 10.33 H new ATOM 0 HD11 LEU A 16 -43.996 -38.606 29.385 1.00 64.21 H new ATOM 0 HD12 LEU A 16 -43.794 -37.609 27.924 1.00 64.21 H new ATOM 0 HD13 LEU A 16 -45.426 -37.971 28.536 1.00 64.21 H new ATOM 0 HD21 LEU A 16 -44.740 -40.958 29.235 1.00 21.34 H new ATOM 0 HD22 LEU A 16 -46.243 -40.557 28.370 1.00 21.34 H new ATOM 0 HD23 LEU A 16 -45.092 -41.716 27.664 1.00 21.34 H new ATOM 257 N LYS A 17 -46.014 -37.067 24.080 1.00 40.35 N ATOM 258 CA LYS A 17 -46.088 -36.621 22.673 1.00 43.12 C ATOM 259 C LYS A 17 -44.659 -36.420 22.129 1.00 13.31 C ATOM 260 O LYS A 17 -43.785 -35.864 22.815 1.00 31.22 O ATOM 261 CB LYS A 17 -46.943 -35.318 22.523 1.00 0.55 C ATOM 262 CG LYS A 17 -46.290 -34.004 23.009 1.00 55.12 C ATOM 263 CD LYS A 17 -47.177 -32.771 22.724 1.00 1.22 C ATOM 264 CE LYS A 17 -46.430 -31.442 22.923 1.00 35.54 C ATOM 265 NZ LYS A 17 -45.955 -31.237 24.317 1.00 52.45 N ATOM 0 H LYS A 17 -45.436 -36.472 24.673 1.00 40.35 H new ATOM 0 HA LYS A 17 -46.590 -37.391 22.086 1.00 43.12 H new ATOM 0 HB2 LYS A 17 -47.204 -35.200 21.471 1.00 0.55 H new ATOM 0 HB3 LYS A 17 -47.876 -35.458 23.069 1.00 0.55 H new ATOM 0 HG2 LYS A 17 -46.097 -34.071 24.080 1.00 55.12 H new ATOM 0 HG3 LYS A 17 -45.325 -33.877 22.518 1.00 55.12 H new ATOM 0 HD2 LYS A 17 -47.548 -32.825 21.700 1.00 1.22 H new ATOM 0 HD3 LYS A 17 -48.047 -32.795 23.380 1.00 1.22 H new ATOM 0 HE2 LYS A 17 -45.576 -31.409 22.247 1.00 35.54 H new ATOM 0 HE3 LYS A 17 -47.088 -30.618 22.646 1.00 35.54 H new ATOM 0 HZ1 LYS A 17 -45.460 -30.325 24.385 1.00 52.45 H new ATOM 0 HZ2 LYS A 17 -46.769 -31.239 24.965 1.00 52.45 H new ATOM 0 HZ3 LYS A 17 -45.303 -32.004 24.578 1.00 52.45 H new ATOM 279 N CYS A 18 -44.419 -36.930 20.916 1.00 25.44 N ATOM 280 CA CYS A 18 -43.149 -36.760 20.220 1.00 20.24 C ATOM 281 C CYS A 18 -43.300 -35.655 19.175 1.00 62.32 C ATOM 282 O CYS A 18 -43.929 -35.853 18.130 1.00 53.21 O ATOM 283 CB CYS A 18 -42.715 -38.094 19.578 1.00 73.11 C ATOM 284 SG CYS A 18 -43.910 -38.801 18.421 1.00 31.01 S ATOM 0 H CYS A 18 -45.105 -37.473 20.392 1.00 25.44 H new ATOM 0 HA CYS A 18 -42.370 -36.468 20.924 1.00 20.24 H new ATOM 0 HB2 CYS A 18 -41.771 -37.939 19.055 1.00 73.11 H new ATOM 0 HB3 CYS A 18 -42.525 -38.818 20.370 1.00 73.11 H new ATOM 0 HG CYS A 18 -44.498 -37.844 17.766 1.00 31.01 H new ATOM 290 N ASP A 19 -42.806 -34.461 19.514 1.00 31.15 N ATOM 291 CA ASP A 19 -42.700 -33.335 18.581 1.00 32.24 C ATOM 292 C ASP A 19 -41.212 -33.109 18.246 1.00 63.45 C ATOM 293 O ASP A 19 -40.395 -32.835 19.137 1.00 43.33 O ATOM 294 CB ASP A 19 -43.383 -32.063 19.174 1.00 21.21 C ATOM 295 CG ASP A 19 -42.920 -31.674 20.594 1.00 54.45 C ATOM 296 OD1 ASP A 19 -43.411 -32.278 21.570 1.00 50.32 O ATOM 297 OD2 ASP A 19 -42.087 -30.748 20.748 1.00 63.23 O ATOM 0 H ASP A 19 -42.466 -34.247 20.451 1.00 31.15 H new ATOM 0 HA ASP A 19 -43.228 -33.559 17.654 1.00 32.24 H new ATOM 0 HB2 ASP A 19 -43.196 -31.223 18.505 1.00 21.21 H new ATOM 0 HB3 ASP A 19 -44.461 -32.223 19.191 1.00 21.21 H new ATOM 302 N VAL A 20 -40.873 -33.270 16.956 1.00 13.41 N ATOM 303 CA VAL A 20 -39.479 -33.243 16.465 1.00 31.42 C ATOM 304 C VAL A 20 -39.056 -31.807 16.072 1.00 31.04 C ATOM 305 O VAL A 20 -39.885 -31.013 15.613 1.00 22.23 O ATOM 306 CB VAL A 20 -39.310 -34.236 15.241 1.00 24.23 C ATOM 307 CG1 VAL A 20 -40.215 -33.846 14.056 1.00 70.03 C ATOM 308 CG2 VAL A 20 -37.835 -34.369 14.803 1.00 74.13 C ATOM 0 H VAL A 20 -41.560 -33.424 16.218 1.00 13.41 H new ATOM 0 HA VAL A 20 -38.824 -33.572 17.272 1.00 31.42 H new ATOM 0 HB VAL A 20 -39.633 -35.218 15.588 1.00 24.23 H new ATOM 0 HG11 VAL A 20 -40.068 -34.552 13.238 1.00 70.03 H new ATOM 0 HG12 VAL A 20 -41.258 -33.868 14.372 1.00 70.03 H new ATOM 0 HG13 VAL A 20 -39.960 -32.842 13.718 1.00 70.03 H new ATOM 0 HG21 VAL A 20 -37.766 -35.059 13.962 1.00 74.13 H new ATOM 0 HG22 VAL A 20 -37.455 -33.392 14.503 1.00 74.13 H new ATOM 0 HG23 VAL A 20 -37.242 -34.750 15.634 1.00 74.13 H new ATOM 318 N CYS A 21 -37.773 -31.478 16.303 1.00 32.44 N ATOM 319 CA CYS A 21 -37.164 -30.213 15.862 1.00 22.32 C ATOM 320 C CYS A 21 -36.572 -30.398 14.458 1.00 32.54 C ATOM 321 O CYS A 21 -36.016 -31.466 14.156 1.00 33.21 O ATOM 322 CB CYS A 21 -36.067 -29.776 16.854 1.00 54.31 C ATOM 323 SG CYS A 21 -35.272 -28.218 16.410 1.00 75.43 S ATOM 0 H CYS A 21 -37.126 -32.087 16.804 1.00 32.44 H new ATOM 0 HA CYS A 21 -37.927 -29.435 15.831 1.00 22.32 H new ATOM 0 HB2 CYS A 21 -36.504 -29.681 17.848 1.00 54.31 H new ATOM 0 HB3 CYS A 21 -35.309 -30.557 16.912 1.00 54.31 H new ATOM 0 HG CYS A 21 -34.367 -27.925 17.296 1.00 75.43 H new ATOM 329 N GLY A 22 -36.708 -29.371 13.610 1.00 64.53 N ATOM 330 CA GLY A 22 -36.221 -29.425 12.228 1.00 0.12 C ATOM 331 C GLY A 22 -35.538 -28.133 11.802 1.00 3.33 C ATOM 332 O GLY A 22 -35.975 -27.043 12.186 1.00 51.01 O ATOM 0 H GLY A 22 -37.154 -28.488 13.860 1.00 64.53 H new ATOM 0 HA2 GLY A 22 -35.521 -30.254 12.125 1.00 0.12 H new ATOM 0 HA3 GLY A 22 -37.057 -29.628 11.559 1.00 0.12 H new ATOM 336 N MET A 23 -34.486 -28.256 10.974 1.00 54.23 N ATOM 337 CA MET A 23 -33.753 -27.101 10.431 1.00 15.41 C ATOM 338 C MET A 23 -33.217 -27.456 9.042 1.00 2.22 C ATOM 339 O MET A 23 -32.438 -28.402 8.898 1.00 1.12 O ATOM 340 CB MET A 23 -32.581 -26.694 11.372 1.00 30.41 C ATOM 341 CG MET A 23 -31.743 -25.496 10.873 1.00 15.34 C ATOM 342 SD MET A 23 -30.315 -25.134 11.924 1.00 74.04 S ATOM 343 CE MET A 23 -29.591 -23.739 11.054 1.00 15.13 C ATOM 0 H MET A 23 -34.121 -29.157 10.664 1.00 54.23 H new ATOM 0 HA MET A 23 -34.433 -26.252 10.357 1.00 15.41 H new ATOM 0 HB2 MET A 23 -32.988 -26.452 12.354 1.00 30.41 H new ATOM 0 HB3 MET A 23 -31.922 -27.552 11.502 1.00 30.41 H new ATOM 0 HG2 MET A 23 -31.397 -25.700 9.860 1.00 15.34 H new ATOM 0 HG3 MET A 23 -32.380 -24.613 10.820 1.00 15.34 H new ATOM 0 HE1 MET A 23 -28.699 -23.403 11.583 1.00 15.13 H new ATOM 0 HE2 MET A 23 -29.320 -24.042 10.043 1.00 15.13 H new ATOM 0 HE3 MET A 23 -30.314 -22.924 11.008 1.00 15.13 H new ATOM 353 N VAL A 24 -33.655 -26.713 8.014 1.00 24.11 N ATOM 354 CA VAL A 24 -33.129 -26.857 6.644 1.00 71.10 C ATOM 355 C VAL A 24 -31.840 -26.030 6.487 1.00 51.33 C ATOM 356 O VAL A 24 -31.438 -25.280 7.392 1.00 42.24 O ATOM 357 CB VAL A 24 -34.180 -26.423 5.549 1.00 25.44 C ATOM 358 CG1 VAL A 24 -35.464 -27.272 5.638 1.00 33.41 C ATOM 359 CG2 VAL A 24 -34.504 -24.911 5.621 1.00 24.14 C ATOM 0 H VAL A 24 -34.378 -26.000 8.105 1.00 24.11 H new ATOM 0 HA VAL A 24 -32.914 -27.914 6.489 1.00 71.10 H new ATOM 0 HB VAL A 24 -33.722 -26.607 4.577 1.00 25.44 H new ATOM 0 HG11 VAL A 24 -36.168 -26.949 4.871 1.00 33.41 H new ATOM 0 HG12 VAL A 24 -35.217 -28.322 5.484 1.00 33.41 H new ATOM 0 HG13 VAL A 24 -35.916 -27.146 6.622 1.00 33.41 H new ATOM 0 HG21 VAL A 24 -35.231 -24.658 4.850 1.00 24.14 H new ATOM 0 HG22 VAL A 24 -34.917 -24.674 6.601 1.00 24.14 H new ATOM 0 HG23 VAL A 24 -33.592 -24.336 5.463 1.00 24.14 H new ATOM 369 N CYS A 25 -31.204 -26.183 5.324 1.00 0.41 N ATOM 370 CA CYS A 25 -30.007 -25.428 4.937 1.00 22.45 C ATOM 371 C CYS A 25 -30.030 -25.184 3.420 1.00 70.05 C ATOM 372 O CYS A 25 -30.829 -25.790 2.692 1.00 41.11 O ATOM 373 CB CYS A 25 -28.721 -26.202 5.341 1.00 21.53 C ATOM 374 SG CYS A 25 -28.599 -26.614 7.103 1.00 32.32 S ATOM 0 H CYS A 25 -31.510 -26.846 4.612 1.00 0.41 H new ATOM 0 HA CYS A 25 -30.003 -24.470 5.457 1.00 22.45 H new ATOM 0 HB2 CYS A 25 -28.673 -27.125 4.763 1.00 21.53 H new ATOM 0 HB3 CYS A 25 -27.853 -25.606 5.061 1.00 21.53 H new ATOM 0 HG CYS A 25 -29.609 -26.099 7.740 1.00 32.32 H new ATOM 380 N ILE A 26 -29.172 -24.271 2.961 1.00 22.32 N ATOM 381 CA ILE A 26 -28.936 -24.027 1.523 1.00 45.22 C ATOM 382 C ILE A 26 -27.429 -24.156 1.228 1.00 23.41 C ATOM 383 O ILE A 26 -26.599 -24.050 2.141 1.00 52.45 O ATOM 384 CB ILE A 26 -29.534 -22.626 1.050 1.00 40.34 C ATOM 385 CG1 ILE A 26 -29.079 -21.411 1.944 1.00 13.02 C ATOM 386 CG2 ILE A 26 -31.088 -22.695 0.977 1.00 34.21 C ATOM 387 CD1 ILE A 26 -27.710 -20.821 1.606 1.00 0.22 C ATOM 0 H ILE A 26 -28.615 -23.674 3.573 1.00 22.32 H new ATOM 0 HA ILE A 26 -29.467 -24.781 0.942 1.00 45.22 H new ATOM 0 HB ILE A 26 -29.127 -22.442 0.056 1.00 40.34 H new ATOM 0 HG12 ILE A 26 -29.826 -20.622 1.861 1.00 13.02 H new ATOM 0 HG13 ILE A 26 -29.070 -21.732 2.986 1.00 13.02 H new ATOM 0 HG21 ILE A 26 -31.480 -21.731 0.653 1.00 34.21 H new ATOM 0 HG22 ILE A 26 -31.385 -23.465 0.265 1.00 34.21 H new ATOM 0 HG23 ILE A 26 -31.488 -22.937 1.962 1.00 34.21 H new ATOM 0 HD11 ILE A 26 -27.495 -19.992 2.280 1.00 0.22 H new ATOM 0 HD12 ILE A 26 -26.945 -21.589 1.719 1.00 0.22 H new ATOM 0 HD13 ILE A 26 -27.713 -20.461 0.577 1.00 0.22 H new ATOM 399 N GLY A 27 -27.096 -24.399 -0.042 1.00 42.34 N ATOM 400 CA GLY A 27 -25.707 -24.583 -0.458 1.00 21.22 C ATOM 401 C GLY A 27 -25.462 -24.085 -1.876 1.00 4.43 C ATOM 402 O GLY A 27 -25.734 -24.827 -2.832 1.00 11.32 O ATOM 0 H GLY A 27 -27.773 -24.473 -0.801 1.00 42.34 H new ATOM 0 HA2 GLY A 27 -25.050 -24.052 0.231 1.00 21.22 H new ATOM 0 HA3 GLY A 27 -25.447 -25.640 -0.396 1.00 21.22 H new ATOM 406 N PRO A 28 -24.978 -22.803 -2.055 1.00 63.43 N ATOM 407 CA PRO A 28 -24.734 -22.217 -3.392 1.00 22.22 C ATOM 408 C PRO A 28 -23.469 -22.773 -4.087 1.00 65.52 C ATOM 409 O PRO A 28 -22.528 -23.255 -3.431 1.00 33.32 O ATOM 410 CB PRO A 28 -24.600 -20.698 -3.090 1.00 71.35 C ATOM 411 CG PRO A 28 -24.080 -20.619 -1.685 1.00 50.13 C ATOM 412 CD PRO A 28 -24.660 -21.820 -0.962 1.00 24.01 C ATOM 0 HA PRO A 28 -25.533 -22.457 -4.093 1.00 22.22 H new ATOM 0 HB2 PRO A 28 -23.917 -20.216 -3.790 1.00 71.35 H new ATOM 0 HB3 PRO A 28 -25.561 -20.192 -3.183 1.00 71.35 H new ATOM 0 HG2 PRO A 28 -22.990 -20.642 -1.669 1.00 50.13 H new ATOM 0 HG3 PRO A 28 -24.386 -19.689 -1.206 1.00 50.13 H new ATOM 0 HD2 PRO A 28 -23.948 -22.236 -0.250 1.00 24.01 H new ATOM 0 HD3 PRO A 28 -25.553 -21.550 -0.399 1.00 24.01 H new ATOM 420 N ASN A 29 -23.469 -22.688 -5.430 1.00 51.03 N ATOM 421 CA ASN A 29 -22.300 -23.001 -6.278 1.00 51.12 C ATOM 422 C ASN A 29 -21.298 -21.831 -6.200 1.00 44.33 C ATOM 423 O ASN A 29 -21.180 -21.047 -7.144 1.00 15.52 O ATOM 424 CB ASN A 29 -22.736 -23.263 -7.759 1.00 33.33 C ATOM 425 CG ASN A 29 -23.607 -24.504 -7.934 1.00 14.23 C ATOM 426 OD1 ASN A 29 -24.277 -24.963 -7.008 1.00 53.24 O ATOM 427 ND2 ASN A 29 -23.620 -25.047 -9.138 1.00 65.30 N ATOM 0 H ASN A 29 -24.288 -22.397 -5.964 1.00 51.03 H new ATOM 0 HA ASN A 29 -21.824 -23.911 -5.914 1.00 51.12 H new ATOM 0 HB2 ASN A 29 -23.281 -22.393 -8.127 1.00 33.33 H new ATOM 0 HB3 ASN A 29 -21.845 -23.366 -8.378 1.00 33.33 H new ATOM 0 HD21 ASN A 29 -24.196 -25.869 -9.321 1.00 65.30 H new ATOM 0 HD22 ASN A 29 -23.054 -24.644 -9.885 1.00 65.30 H new ATOM 434 N VAL A 30 -20.600 -21.713 -5.040 1.00 44.13 N ATOM 435 CA VAL A 30 -19.737 -20.546 -4.725 1.00 11.24 C ATOM 436 C VAL A 30 -18.592 -20.365 -5.753 1.00 71.32 C ATOM 437 O VAL A 30 -18.182 -19.238 -6.025 1.00 34.23 O ATOM 438 CB VAL A 30 -19.162 -20.605 -3.251 1.00 32.41 C ATOM 439 CG1 VAL A 30 -20.302 -20.579 -2.200 1.00 65.32 C ATOM 440 CG2 VAL A 30 -18.256 -21.832 -3.042 1.00 74.42 C ATOM 0 H VAL A 30 -20.620 -22.418 -4.303 1.00 44.13 H new ATOM 0 HA VAL A 30 -20.383 -19.671 -4.794 1.00 11.24 H new ATOM 0 HB VAL A 30 -18.550 -19.714 -3.110 1.00 32.41 H new ATOM 0 HG11 VAL A 30 -19.874 -20.621 -1.198 1.00 65.32 H new ATOM 0 HG12 VAL A 30 -20.878 -19.660 -2.311 1.00 65.32 H new ATOM 0 HG13 VAL A 30 -20.956 -21.438 -2.351 1.00 65.32 H new ATOM 0 HG21 VAL A 30 -17.881 -21.837 -2.019 1.00 74.42 H new ATOM 0 HG22 VAL A 30 -18.828 -22.742 -3.223 1.00 74.42 H new ATOM 0 HG23 VAL A 30 -17.417 -21.787 -3.736 1.00 74.42 H new ATOM 450 N LEU A 31 -18.127 -21.489 -6.346 1.00 1.31 N ATOM 451 CA LEU A 31 -17.084 -21.486 -7.399 1.00 12.23 C ATOM 452 C LEU A 31 -17.611 -20.819 -8.691 1.00 44.35 C ATOM 453 O LEU A 31 -16.964 -19.932 -9.253 1.00 3.41 O ATOM 454 CB LEU A 31 -16.585 -22.932 -7.731 1.00 32.20 C ATOM 455 CG LEU A 31 -15.777 -23.689 -6.621 1.00 74.11 C ATOM 456 CD1 LEU A 31 -16.680 -24.195 -5.479 1.00 4.22 C ATOM 457 CD2 LEU A 31 -14.969 -24.853 -7.233 1.00 10.41 C ATOM 0 H LEU A 31 -18.463 -22.422 -6.109 1.00 1.31 H new ATOM 0 HA LEU A 31 -16.243 -20.913 -7.008 1.00 12.23 H new ATOM 0 HB2 LEU A 31 -17.454 -23.538 -7.987 1.00 32.20 H new ATOM 0 HB3 LEU A 31 -15.961 -22.877 -8.623 1.00 32.20 H new ATOM 0 HG LEU A 31 -15.084 -22.970 -6.185 1.00 74.11 H new ATOM 0 HD11 LEU A 31 -16.072 -24.712 -4.736 1.00 4.22 H new ATOM 0 HD12 LEU A 31 -17.183 -23.349 -5.011 1.00 4.22 H new ATOM 0 HD13 LEU A 31 -17.424 -24.882 -5.881 1.00 4.22 H new ATOM 0 HD21 LEU A 31 -14.416 -25.365 -6.446 1.00 10.41 H new ATOM 0 HD22 LEU A 31 -15.650 -25.555 -7.714 1.00 10.41 H new ATOM 0 HD23 LEU A 31 -14.270 -24.462 -7.972 1.00 10.41 H new ATOM 469 N MET A 32 -18.816 -21.255 -9.115 1.00 53.12 N ATOM 470 CA MET A 32 -19.442 -20.839 -10.387 1.00 72.55 C ATOM 471 C MET A 32 -19.885 -19.371 -10.345 1.00 73.41 C ATOM 472 O MET A 32 -19.745 -18.653 -11.328 1.00 31.03 O ATOM 473 CB MET A 32 -20.651 -21.759 -10.732 1.00 12.21 C ATOM 474 CG MET A 32 -20.274 -23.229 -10.903 1.00 63.12 C ATOM 475 SD MET A 32 -21.647 -24.220 -11.527 1.00 31.52 S ATOM 476 CE MET A 32 -20.835 -25.780 -11.875 1.00 0.54 C ATOM 0 H MET A 32 -19.386 -21.910 -8.580 1.00 53.12 H new ATOM 0 HA MET A 32 -18.690 -20.939 -11.169 1.00 72.55 H new ATOM 0 HB2 MET A 32 -21.398 -21.674 -9.943 1.00 12.21 H new ATOM 0 HB3 MET A 32 -21.117 -21.403 -11.651 1.00 12.21 H new ATOM 0 HG2 MET A 32 -19.431 -23.308 -11.589 1.00 63.12 H new ATOM 0 HG3 MET A 32 -19.945 -23.631 -9.945 1.00 63.12 H new ATOM 0 HE1 MET A 32 -21.563 -26.490 -12.267 1.00 0.54 H new ATOM 0 HE2 MET A 32 -20.047 -25.624 -12.612 1.00 0.54 H new ATOM 0 HE3 MET A 32 -20.400 -26.176 -10.957 1.00 0.54 H new ATOM 486 N VAL A 33 -20.409 -18.943 -9.186 1.00 35.54 N ATOM 487 CA VAL A 33 -20.852 -17.552 -8.968 1.00 5.01 C ATOM 488 C VAL A 33 -19.637 -16.592 -8.917 1.00 14.11 C ATOM 489 O VAL A 33 -19.696 -15.467 -9.428 1.00 12.25 O ATOM 490 CB VAL A 33 -21.717 -17.434 -7.649 1.00 42.25 C ATOM 491 CG1 VAL A 33 -22.171 -15.980 -7.375 1.00 64.24 C ATOM 492 CG2 VAL A 33 -22.939 -18.380 -7.709 1.00 13.31 C ATOM 0 H VAL A 33 -20.538 -19.547 -8.374 1.00 35.54 H new ATOM 0 HA VAL A 33 -21.481 -17.262 -9.810 1.00 5.01 H new ATOM 0 HB VAL A 33 -21.077 -17.736 -6.820 1.00 42.25 H new ATOM 0 HG11 VAL A 33 -22.762 -15.950 -6.459 1.00 64.24 H new ATOM 0 HG12 VAL A 33 -21.295 -15.340 -7.263 1.00 64.24 H new ATOM 0 HG13 VAL A 33 -22.776 -15.625 -8.209 1.00 64.24 H new ATOM 0 HG21 VAL A 33 -23.520 -18.283 -6.792 1.00 13.31 H new ATOM 0 HG22 VAL A 33 -23.562 -18.115 -8.563 1.00 13.31 H new ATOM 0 HG23 VAL A 33 -22.597 -19.410 -7.814 1.00 13.31 H new ATOM 502 N HIS A 34 -18.522 -17.082 -8.322 1.00 70.14 N ATOM 503 CA HIS A 34 -17.258 -16.324 -8.198 1.00 2.15 C ATOM 504 C HIS A 34 -16.635 -16.116 -9.592 1.00 62.34 C ATOM 505 O HIS A 34 -16.179 -15.020 -9.932 1.00 31.21 O ATOM 506 CB HIS A 34 -16.267 -17.066 -7.249 1.00 73.21 C ATOM 507 CG HIS A 34 -15.020 -16.290 -6.901 1.00 42.54 C ATOM 508 ND1 HIS A 34 -14.943 -15.451 -5.809 1.00 51.34 N ATOM 509 CD2 HIS A 34 -13.801 -16.228 -7.493 1.00 54.22 C ATOM 510 CE1 HIS A 34 -13.743 -14.912 -5.747 1.00 71.03 C ATOM 511 NE2 HIS A 34 -13.032 -15.365 -6.756 1.00 12.04 N ATOM 0 H HIS A 34 -18.476 -18.016 -7.915 1.00 70.14 H new ATOM 0 HA HIS A 34 -17.470 -15.347 -7.763 1.00 2.15 H new ATOM 0 HB2 HIS A 34 -16.790 -17.318 -6.326 1.00 73.21 H new ATOM 0 HB3 HIS A 34 -15.974 -18.006 -7.716 1.00 73.21 H new ATOM 0 HD2 HIS A 34 -13.493 -16.760 -8.381 1.00 54.22 H new ATOM 0 HE1 HIS A 34 -13.401 -14.216 -4.995 1.00 71.03 H new ATOM 0 HE2 HIS A 34 -12.064 -15.115 -6.958 1.00 12.04 H new ATOM 520 N LYS A 35 -16.666 -17.186 -10.401 1.00 70.41 N ATOM 521 CA LYS A 35 -16.131 -17.195 -11.773 1.00 72.50 C ATOM 522 C LYS A 35 -16.970 -16.290 -12.702 1.00 73.42 C ATOM 523 O LYS A 35 -16.424 -15.515 -13.503 1.00 54.43 O ATOM 524 CB LYS A 35 -16.089 -18.659 -12.293 1.00 21.23 C ATOM 525 CG LYS A 35 -15.534 -18.831 -13.722 1.00 30.05 C ATOM 526 CD LYS A 35 -15.560 -20.304 -14.198 1.00 4.21 C ATOM 527 CE LYS A 35 -15.124 -20.458 -15.665 1.00 30.14 C ATOM 528 NZ LYS A 35 -15.112 -21.881 -16.104 1.00 53.11 N ATOM 0 H LYS A 35 -17.068 -18.080 -10.119 1.00 70.41 H new ATOM 0 HA LYS A 35 -15.118 -16.792 -11.768 1.00 72.50 H new ATOM 0 HB2 LYS A 35 -15.482 -19.253 -11.610 1.00 21.23 H new ATOM 0 HB3 LYS A 35 -17.099 -19.069 -12.260 1.00 21.23 H new ATOM 0 HG2 LYS A 35 -16.118 -18.220 -14.410 1.00 30.05 H new ATOM 0 HG3 LYS A 35 -14.510 -18.460 -13.757 1.00 30.05 H new ATOM 0 HD2 LYS A 35 -14.904 -20.899 -13.563 1.00 4.21 H new ATOM 0 HD3 LYS A 35 -16.567 -20.703 -14.078 1.00 4.21 H new ATOM 0 HE2 LYS A 35 -15.799 -19.889 -16.304 1.00 30.14 H new ATOM 0 HE3 LYS A 35 -14.129 -20.032 -15.793 1.00 30.14 H new ATOM 0 HZ1 LYS A 35 -14.812 -21.935 -17.098 1.00 53.11 H new ATOM 0 HZ2 LYS A 35 -14.449 -22.421 -15.513 1.00 53.11 H new ATOM 0 HZ3 LYS A 35 -16.067 -22.282 -16.008 1.00 53.11 H new ATOM 542 N ARG A 36 -18.299 -16.377 -12.543 1.00 2.03 N ATOM 543 CA ARG A 36 -19.290 -15.633 -13.352 1.00 34.34 C ATOM 544 C ARG A 36 -19.207 -14.128 -13.078 1.00 43.01 C ATOM 545 O ARG A 36 -19.291 -13.319 -14.016 1.00 51.01 O ATOM 546 CB ARG A 36 -20.718 -16.211 -13.059 1.00 65.34 C ATOM 547 CG ARG A 36 -21.929 -15.570 -13.824 1.00 61.25 C ATOM 548 CD ARG A 36 -22.510 -14.304 -13.156 1.00 23.04 C ATOM 549 NE ARG A 36 -23.747 -13.833 -13.791 1.00 62.14 N ATOM 550 CZ ARG A 36 -24.603 -12.960 -13.236 1.00 60.13 C ATOM 551 NH1 ARG A 36 -24.370 -12.437 -12.030 1.00 72.25 N ATOM 552 NH2 ARG A 36 -25.687 -12.614 -13.893 1.00 5.12 N ATOM 0 H ARG A 36 -18.728 -16.976 -11.837 1.00 2.03 H new ATOM 0 HA ARG A 36 -19.073 -15.762 -14.412 1.00 34.34 H new ATOM 0 HB2 ARG A 36 -20.703 -17.277 -13.286 1.00 65.34 H new ATOM 0 HB3 ARG A 36 -20.907 -16.116 -11.990 1.00 65.34 H new ATOM 0 HG2 ARG A 36 -21.611 -15.318 -14.836 1.00 61.25 H new ATOM 0 HG3 ARG A 36 -22.721 -16.314 -13.914 1.00 61.25 H new ATOM 0 HD2 ARG A 36 -22.705 -14.513 -12.104 1.00 23.04 H new ATOM 0 HD3 ARG A 36 -21.766 -13.508 -13.190 1.00 23.04 H new ATOM 0 HE ARG A 36 -23.972 -14.194 -14.718 1.00 62.14 H new ATOM 0 HH11 ARG A 36 -23.530 -12.699 -11.514 1.00 72.25 H new ATOM 0 HH12 ARG A 36 -25.032 -11.775 -11.625 1.00 72.25 H new ATOM 0 HH21 ARG A 36 -25.872 -13.008 -14.816 1.00 5.12 H new ATOM 0 HH22 ARG A 36 -26.344 -11.952 -13.480 1.00 5.12 H new ATOM 566 N SER A 37 -19.037 -13.754 -11.791 1.00 54.44 N ATOM 567 CA SER A 37 -18.981 -12.336 -11.372 1.00 70.24 C ATOM 568 C SER A 37 -17.727 -11.624 -11.932 1.00 71.30 C ATOM 569 O SER A 37 -17.705 -10.389 -12.047 1.00 43.21 O ATOM 570 CB SER A 37 -19.042 -12.226 -9.836 1.00 34.24 C ATOM 571 OG SER A 37 -17.989 -12.942 -9.227 1.00 3.41 O ATOM 0 H SER A 37 -18.936 -14.417 -11.022 1.00 54.44 H new ATOM 0 HA SER A 37 -19.851 -11.830 -11.789 1.00 70.24 H new ATOM 0 HB2 SER A 37 -18.989 -11.178 -9.542 1.00 34.24 H new ATOM 0 HB3 SER A 37 -19.998 -12.609 -9.480 1.00 34.24 H new ATOM 0 HG SER A 37 -17.566 -13.528 -9.889 1.00 3.41 H new ATOM 577 N HIS A 38 -16.679 -12.405 -12.270 1.00 54.14 N ATOM 578 CA HIS A 38 -15.573 -11.905 -13.111 1.00 34.22 C ATOM 579 C HIS A 38 -16.080 -11.791 -14.564 1.00 21.42 C ATOM 580 O HIS A 38 -16.290 -10.689 -15.055 1.00 72.55 O ATOM 581 CB HIS A 38 -14.309 -12.820 -13.013 1.00 2.20 C ATOM 582 CG HIS A 38 -13.514 -12.658 -11.740 1.00 12.21 C ATOM 583 ND1 HIS A 38 -12.540 -11.691 -11.586 1.00 64.24 N ATOM 584 CD2 HIS A 38 -13.563 -13.319 -10.561 1.00 5.01 C ATOM 585 CE1 HIS A 38 -12.033 -11.765 -10.376 1.00 64.55 C ATOM 586 NE2 HIS A 38 -12.638 -12.740 -9.733 1.00 54.44 N ATOM 0 H HIS A 38 -16.577 -13.376 -11.976 1.00 54.14 H new ATOM 0 HA HIS A 38 -15.262 -10.923 -12.754 1.00 34.22 H new ATOM 0 HB2 HIS A 38 -14.622 -13.860 -13.101 1.00 2.20 H new ATOM 0 HB3 HIS A 38 -13.658 -12.610 -13.862 1.00 2.20 H new ATOM 0 HD2 HIS A 38 -14.211 -14.148 -10.318 1.00 5.01 H new ATOM 0 HE1 HIS A 38 -11.253 -11.133 -9.978 1.00 64.55 H new ATOM 0 HE2 HIS A 38 -12.449 -13.020 -8.771 1.00 54.44 H new ATOM 595 N THR A 39 -16.305 -12.958 -15.196 1.00 43.12 N ATOM 596 CA THR A 39 -16.899 -13.119 -16.554 1.00 42.12 C ATOM 597 C THR A 39 -17.045 -14.617 -16.842 1.00 72.34 C ATOM 598 O THR A 39 -18.066 -15.082 -17.356 1.00 14.22 O ATOM 599 CB THR A 39 -16.054 -12.444 -17.722 1.00 54.01 C ATOM 600 OG1 THR A 39 -14.659 -12.374 -17.365 1.00 63.33 O ATOM 601 CG2 THR A 39 -16.588 -11.041 -18.109 1.00 11.04 C ATOM 0 H THR A 39 -16.072 -13.853 -14.766 1.00 43.12 H new ATOM 0 HA THR A 39 -17.860 -12.605 -16.541 1.00 42.12 H new ATOM 0 HB THR A 39 -16.165 -13.080 -18.600 1.00 54.01 H new ATOM 0 HG1 THR A 39 -14.155 -11.958 -18.095 1.00 63.33 H new ATOM 0 HG21 THR A 39 -15.975 -10.627 -18.910 1.00 11.04 H new ATOM 0 HG22 THR A 39 -17.620 -11.126 -18.449 1.00 11.04 H new ATOM 0 HG23 THR A 39 -16.544 -10.383 -17.241 1.00 11.04 H new ATOM 609 N GLY A 40 -15.994 -15.366 -16.496 1.00 73.10 N ATOM 610 CA GLY A 40 -15.915 -16.796 -16.779 1.00 3.23 C ATOM 611 C GLY A 40 -15.111 -17.101 -18.032 1.00 45.42 C ATOM 612 O GLY A 40 -15.232 -18.187 -18.595 1.00 53.44 O ATOM 0 H GLY A 40 -15.176 -14.995 -16.012 1.00 73.10 H new ATOM 0 HA2 GLY A 40 -15.463 -17.306 -15.929 1.00 3.23 H new ATOM 0 HA3 GLY A 40 -16.923 -17.196 -16.892 1.00 3.23 H new ATOM 616 N GLU A 41 -14.263 -16.150 -18.448 1.00 73.21 N ATOM 617 CA GLU A 41 -13.460 -16.258 -19.680 1.00 61.43 C ATOM 618 C GLU A 41 -11.988 -16.578 -19.352 1.00 74.13 C ATOM 619 O GLU A 41 -11.521 -16.314 -18.239 1.00 2.53 O ATOM 620 CB GLU A 41 -13.603 -14.951 -20.509 1.00 55.25 C ATOM 621 CG GLU A 41 -12.849 -14.947 -21.862 1.00 12.21 C ATOM 622 CD GLU A 41 -13.342 -13.865 -22.836 1.00 73.50 C ATOM 623 OE1 GLU A 41 -12.979 -12.687 -22.672 1.00 23.01 O ATOM 624 OE2 GLU A 41 -14.097 -14.203 -23.768 1.00 63.45 O ATOM 0 H GLU A 41 -14.112 -15.279 -17.939 1.00 73.21 H new ATOM 0 HA GLU A 41 -13.833 -17.086 -20.283 1.00 61.43 H new ATOM 0 HB2 GLU A 41 -14.661 -14.774 -20.700 1.00 55.25 H new ATOM 0 HB3 GLU A 41 -13.243 -14.116 -19.908 1.00 55.25 H new ATOM 0 HG2 GLU A 41 -11.785 -14.799 -21.676 1.00 12.21 H new ATOM 0 HG3 GLU A 41 -12.957 -15.924 -22.332 1.00 12.21 H new ATOM 631 N ARG A 42 -11.281 -17.163 -20.344 1.00 42.44 N ATOM 632 CA ARG A 42 -9.855 -17.506 -20.241 1.00 53.03 C ATOM 633 C ARG A 42 -8.989 -16.245 -20.011 1.00 5.04 C ATOM 634 O ARG A 42 -9.198 -15.218 -20.683 1.00 12.25 O ATOM 635 CB ARG A 42 -9.375 -18.228 -21.534 1.00 63.43 C ATOM 636 CG ARG A 42 -10.138 -19.527 -21.868 1.00 25.14 C ATOM 637 CD ARG A 42 -9.570 -20.226 -23.116 1.00 20.22 C ATOM 638 NE ARG A 42 -9.587 -19.345 -24.304 1.00 73.51 N ATOM 639 CZ ARG A 42 -8.586 -19.201 -25.194 1.00 63.03 C ATOM 640 NH1 ARG A 42 -7.444 -19.884 -25.062 1.00 44.44 N ATOM 641 NH2 ARG A 42 -8.741 -18.360 -26.213 1.00 22.32 N ATOM 0 H ARG A 42 -11.692 -17.410 -21.244 1.00 42.44 H new ATOM 0 HA ARG A 42 -9.739 -18.171 -19.385 1.00 53.03 H new ATOM 0 HB2 ARG A 42 -9.470 -17.540 -22.374 1.00 63.43 H new ATOM 0 HB3 ARG A 42 -8.315 -18.461 -21.431 1.00 63.43 H new ATOM 0 HG2 ARG A 42 -10.086 -20.206 -21.017 1.00 25.14 H new ATOM 0 HG3 ARG A 42 -11.191 -19.297 -22.029 1.00 25.14 H new ATOM 0 HD2 ARG A 42 -8.547 -20.546 -22.917 1.00 20.22 H new ATOM 0 HD3 ARG A 42 -10.151 -21.125 -23.323 1.00 20.22 H new ATOM 0 HE ARG A 42 -10.433 -18.797 -24.464 1.00 73.51 H new ATOM 0 HH11 ARG A 42 -7.321 -20.526 -24.279 1.00 44.44 H new ATOM 0 HH12 ARG A 42 -6.696 -19.763 -25.745 1.00 44.44 H new ATOM 0 HH21 ARG A 42 -9.609 -17.834 -26.313 1.00 22.32 H new ATOM 0 HH22 ARG A 42 -7.991 -18.241 -26.894 1.00 22.32 H new ATOM 655 N PRO A 43 -8.028 -16.293 -19.040 1.00 11.35 N ATOM 656 CA PRO A 43 -7.082 -15.186 -18.806 1.00 51.21 C ATOM 657 C PRO A 43 -6.058 -15.068 -19.959 1.00 20.03 C ATOM 658 O PRO A 43 -5.272 -16.001 -20.213 1.00 11.44 O ATOM 659 CB PRO A 43 -6.424 -15.553 -17.450 1.00 22.22 C ATOM 660 CG PRO A 43 -6.528 -17.045 -17.364 1.00 33.31 C ATOM 661 CD PRO A 43 -7.815 -17.410 -18.069 1.00 24.13 C ATOM 0 HA PRO A 43 -7.560 -14.207 -18.774 1.00 51.21 H new ATOM 0 HB2 PRO A 43 -5.385 -15.226 -17.414 1.00 22.22 H new ATOM 0 HB3 PRO A 43 -6.938 -15.072 -16.618 1.00 22.22 H new ATOM 0 HG2 PRO A 43 -5.672 -17.525 -17.839 1.00 33.31 H new ATOM 0 HG3 PRO A 43 -6.543 -17.377 -16.326 1.00 33.31 H new ATOM 0 HD2 PRO A 43 -7.732 -18.370 -18.578 1.00 24.13 H new ATOM 0 HD3 PRO A 43 -8.645 -17.492 -17.367 1.00 24.13 H new ATOM 669 N PHE A 44 -6.095 -13.917 -20.654 1.00 12.32 N ATOM 670 CA PHE A 44 -5.288 -13.664 -21.856 1.00 13.53 C ATOM 671 C PHE A 44 -3.821 -13.395 -21.487 1.00 12.14 C ATOM 672 O PHE A 44 -3.454 -12.269 -21.156 1.00 53.21 O ATOM 673 CB PHE A 44 -5.880 -12.477 -22.670 1.00 52.45 C ATOM 674 CG PHE A 44 -7.268 -12.746 -23.226 1.00 45.31 C ATOM 675 CD1 PHE A 44 -7.428 -13.375 -24.458 1.00 74.12 C ATOM 676 CD2 PHE A 44 -8.406 -12.414 -22.501 1.00 23.05 C ATOM 677 CE1 PHE A 44 -8.680 -13.653 -24.949 1.00 31.23 C ATOM 678 CE2 PHE A 44 -9.659 -12.701 -22.989 1.00 53.05 C ATOM 679 CZ PHE A 44 -9.796 -13.325 -24.207 1.00 4.40 C ATOM 0 H PHE A 44 -6.691 -13.132 -20.393 1.00 12.32 H new ATOM 0 HA PHE A 44 -5.318 -14.557 -22.480 1.00 13.53 H new ATOM 0 HB2 PHE A 44 -5.919 -11.595 -22.031 1.00 52.45 H new ATOM 0 HB3 PHE A 44 -5.207 -12.243 -23.495 1.00 52.45 H new ATOM 0 HD1 PHE A 44 -6.556 -13.648 -25.035 1.00 74.12 H new ATOM 0 HD2 PHE A 44 -8.305 -11.925 -21.543 1.00 23.05 H new ATOM 0 HE1 PHE A 44 -8.791 -14.127 -25.913 1.00 31.23 H new ATOM 0 HE2 PHE A 44 -10.535 -12.437 -22.416 1.00 53.05 H new ATOM 0 HZ PHE A 44 -10.781 -13.559 -24.584 1.00 4.40 H new ATOM 689 N HIS A 45 -3.000 -14.455 -21.507 1.00 11.11 N ATOM 690 CA HIS A 45 -1.555 -14.370 -21.211 1.00 14.52 C ATOM 691 C HIS A 45 -0.769 -14.201 -22.512 1.00 14.14 C ATOM 692 O HIS A 45 -1.197 -14.694 -23.560 1.00 71.11 O ATOM 693 CB HIS A 45 -1.110 -15.647 -20.461 1.00 25.13 C ATOM 694 CG HIS A 45 -1.821 -15.851 -19.138 1.00 43.12 C ATOM 695 ND1 HIS A 45 -2.397 -17.051 -18.762 1.00 50.03 N ATOM 696 CD2 HIS A 45 -2.048 -14.997 -18.106 1.00 32.55 C ATOM 697 CE1 HIS A 45 -2.944 -16.922 -17.570 1.00 11.25 C ATOM 698 NE2 HIS A 45 -2.747 -15.690 -17.154 1.00 23.34 N ATOM 0 H HIS A 45 -3.316 -15.399 -21.729 1.00 11.11 H new ATOM 0 HA HIS A 45 -1.358 -13.505 -20.578 1.00 14.52 H new ATOM 0 HB2 HIS A 45 -1.289 -16.513 -21.098 1.00 25.13 H new ATOM 0 HB3 HIS A 45 -0.036 -15.598 -20.283 1.00 25.13 H new ATOM 0 HD2 HIS A 45 -1.736 -13.965 -18.047 1.00 32.55 H new ATOM 0 HE1 HIS A 45 -3.465 -17.696 -17.027 1.00 11.25 H new ATOM 0 HE2 HIS A 45 -3.065 -15.310 -16.262 1.00 23.34 H new ATOM 707 N CYS A 46 0.374 -13.504 -22.431 1.00 62.03 N ATOM 708 CA CYS A 46 1.241 -13.216 -23.593 1.00 11.31 C ATOM 709 C CYS A 46 1.878 -14.518 -24.170 1.00 32.10 C ATOM 710 O CYS A 46 1.233 -15.212 -24.967 1.00 64.32 O ATOM 711 CB CYS A 46 2.311 -12.186 -23.172 1.00 5.41 C ATOM 712 SG CYS A 46 3.696 -11.978 -24.328 1.00 25.41 S ATOM 0 H CYS A 46 0.728 -13.120 -21.555 1.00 62.03 H new ATOM 0 HA CYS A 46 0.640 -12.793 -24.398 1.00 11.31 H new ATOM 0 HB2 CYS A 46 1.826 -11.219 -23.036 1.00 5.41 H new ATOM 0 HB3 CYS A 46 2.712 -12.481 -22.202 1.00 5.41 H new ATOM 717 N ASN A 47 3.134 -14.844 -23.756 1.00 41.44 N ATOM 718 CA ASN A 47 3.873 -16.052 -24.169 1.00 32.32 C ATOM 719 C ASN A 47 4.878 -16.420 -23.053 1.00 20.23 C ATOM 720 O ASN A 47 4.648 -17.343 -22.270 1.00 35.52 O ATOM 721 CB ASN A 47 4.616 -15.878 -25.546 1.00 72.24 C ATOM 722 CG ASN A 47 3.691 -15.821 -26.763 1.00 31.31 C ATOM 723 OD1 ASN A 47 3.307 -14.744 -27.230 1.00 62.20 O ATOM 724 ND2 ASN A 47 3.280 -16.979 -27.257 1.00 12.30 N ATOM 0 H ASN A 47 3.664 -14.256 -23.113 1.00 41.44 H new ATOM 0 HA ASN A 47 3.151 -16.856 -24.317 1.00 32.32 H new ATOM 0 HB2 ASN A 47 5.208 -14.963 -25.512 1.00 72.24 H new ATOM 0 HB3 ASN A 47 5.314 -16.705 -25.675 1.00 72.24 H new ATOM 0 HD21 ASN A 47 2.630 -16.996 -28.043 1.00 12.30 H new ATOM 0 HD22 ASN A 47 3.613 -17.854 -26.852 1.00 12.30 H new ATOM 731 N GLN A 48 5.979 -15.653 -22.968 1.00 54.44 N ATOM 732 CA GLN A 48 7.079 -15.893 -21.999 1.00 31.11 C ATOM 733 C GLN A 48 7.513 -14.574 -21.335 1.00 40.34 C ATOM 734 O GLN A 48 8.701 -14.228 -21.305 1.00 43.13 O ATOM 735 CB GLN A 48 8.290 -16.582 -22.704 1.00 21.20 C ATOM 736 CG GLN A 48 8.008 -18.000 -23.248 1.00 23.24 C ATOM 737 CD GLN A 48 9.229 -18.703 -23.844 1.00 21.13 C ATOM 738 OE1 GLN A 48 9.354 -19.929 -23.787 1.00 61.23 O ATOM 739 NE2 GLN A 48 10.128 -17.943 -24.443 1.00 71.42 N ATOM 0 H GLN A 48 6.138 -14.844 -23.569 1.00 54.44 H new ATOM 0 HA GLN A 48 6.712 -16.562 -21.220 1.00 31.11 H new ATOM 0 HB2 GLN A 48 8.617 -15.951 -23.530 1.00 21.20 H new ATOM 0 HB3 GLN A 48 9.118 -16.638 -21.998 1.00 21.20 H new ATOM 0 HG2 GLN A 48 7.609 -18.613 -22.440 1.00 23.24 H new ATOM 0 HG3 GLN A 48 7.233 -17.935 -24.011 1.00 23.24 H new ATOM 0 HE21 GLN A 48 10.000 -16.932 -24.476 1.00 71.42 H new ATOM 0 HE22 GLN A 48 10.950 -18.368 -24.873 1.00 71.42 H new ATOM 748 N CYS A 49 6.526 -13.840 -20.798 1.00 63.53 N ATOM 749 CA CYS A 49 6.748 -12.526 -20.147 1.00 63.34 C ATOM 750 C CYS A 49 5.645 -12.256 -19.101 1.00 45.22 C ATOM 751 O CYS A 49 4.812 -13.130 -18.821 1.00 45.54 O ATOM 752 CB CYS A 49 6.753 -11.409 -21.216 1.00 71.53 C ATOM 753 SG CYS A 49 5.132 -11.094 -21.981 1.00 23.35 S ATOM 0 H CYS A 49 5.550 -14.135 -20.799 1.00 63.53 H new ATOM 0 HA CYS A 49 7.713 -12.539 -19.640 1.00 63.34 H new ATOM 0 HB2 CYS A 49 7.111 -10.487 -20.759 1.00 71.53 H new ATOM 0 HB3 CYS A 49 7.465 -11.674 -21.998 1.00 71.53 H new ATOM 758 N GLY A 50 5.613 -11.011 -18.566 1.00 64.13 N ATOM 759 CA GLY A 50 4.682 -10.632 -17.495 1.00 23.33 C ATOM 760 C GLY A 50 3.438 -9.915 -18.001 1.00 63.23 C ATOM 761 O GLY A 50 2.634 -9.432 -17.205 1.00 0.11 O ATOM 0 H GLY A 50 6.228 -10.255 -18.866 1.00 64.13 H new ATOM 0 HA2 GLY A 50 4.380 -11.528 -16.952 1.00 23.33 H new ATOM 0 HA3 GLY A 50 5.200 -9.988 -16.785 1.00 23.33 H new ATOM 765 N ALA A 51 3.290 -9.818 -19.329 1.00 74.12 N ATOM 766 CA ALA A 51 2.138 -9.150 -19.943 1.00 32.44 C ATOM 767 C ALA A 51 0.896 -10.055 -19.889 1.00 60.11 C ATOM 768 O ALA A 51 0.926 -11.197 -20.364 1.00 35.14 O ATOM 769 CB ALA A 51 2.457 -8.752 -21.384 1.00 62.54 C ATOM 0 H ALA A 51 3.958 -10.196 -20.000 1.00 74.12 H new ATOM 0 HA ALA A 51 1.922 -8.243 -19.378 1.00 32.44 H new ATOM 0 HB1 ALA A 51 1.591 -8.258 -21.825 1.00 62.54 H new ATOM 0 HB2 ALA A 51 3.308 -8.071 -21.393 1.00 62.54 H new ATOM 0 HB3 ALA A 51 2.699 -9.643 -21.963 1.00 62.54 H new ATOM 775 N SER A 52 -0.170 -9.530 -19.281 1.00 21.32 N ATOM 776 CA SER A 52 -1.470 -10.199 -19.181 1.00 1.50 C ATOM 777 C SER A 52 -2.572 -9.158 -19.446 1.00 0.22 C ATOM 778 O SER A 52 -2.607 -8.083 -18.835 1.00 1.21 O ATOM 779 CB SER A 52 -1.617 -10.849 -17.782 1.00 72.35 C ATOM 780 OG SER A 52 -0.648 -11.874 -17.600 1.00 24.35 O ATOM 0 H SER A 52 -0.154 -8.612 -18.836 1.00 21.32 H new ATOM 0 HA SER A 52 -1.555 -10.995 -19.920 1.00 1.50 H new ATOM 0 HB2 SER A 52 -1.500 -10.090 -17.009 1.00 72.35 H new ATOM 0 HB3 SER A 52 -2.619 -11.265 -17.672 1.00 72.35 H new ATOM 0 HG SER A 52 -0.755 -12.272 -16.711 1.00 24.35 H new ATOM 786 N PHE A 53 -3.463 -9.493 -20.389 1.00 53.45 N ATOM 787 CA PHE A 53 -4.530 -8.606 -20.873 1.00 31.35 C ATOM 788 C PHE A 53 -5.898 -9.232 -20.592 1.00 5.52 C ATOM 789 O PHE A 53 -5.998 -10.335 -20.047 1.00 63.52 O ATOM 790 CB PHE A 53 -4.342 -8.343 -22.393 1.00 23.43 C ATOM 791 CG PHE A 53 -2.963 -7.789 -22.744 1.00 11.32 C ATOM 792 CD1 PHE A 53 -2.676 -6.424 -22.614 1.00 62.11 C ATOM 793 CD2 PHE A 53 -1.952 -8.630 -23.203 1.00 51.41 C ATOM 794 CE1 PHE A 53 -1.419 -5.930 -22.937 1.00 31.21 C ATOM 795 CE2 PHE A 53 -0.702 -8.132 -23.525 1.00 74.01 C ATOM 796 CZ PHE A 53 -0.437 -6.785 -23.391 1.00 72.12 C ATOM 0 H PHE A 53 -3.462 -10.405 -20.845 1.00 53.45 H new ATOM 0 HA PHE A 53 -4.477 -7.653 -20.347 1.00 31.35 H new ATOM 0 HB2 PHE A 53 -4.502 -9.273 -22.938 1.00 23.43 H new ATOM 0 HB3 PHE A 53 -5.105 -7.641 -22.730 1.00 23.43 H new ATOM 0 HD1 PHE A 53 -3.440 -5.749 -22.259 1.00 62.11 H new ATOM 0 HD2 PHE A 53 -2.147 -9.687 -23.309 1.00 51.41 H new ATOM 0 HE1 PHE A 53 -1.210 -4.875 -22.833 1.00 31.21 H new ATOM 0 HE2 PHE A 53 0.068 -8.800 -23.882 1.00 74.01 H new ATOM 0 HZ PHE A 53 0.540 -6.400 -23.642 1.00 72.12 H new ATOM 806 N THR A 54 -6.952 -8.492 -20.941 1.00 72.01 N ATOM 807 CA THR A 54 -8.348 -8.964 -20.853 1.00 25.41 C ATOM 808 C THR A 54 -9.070 -8.693 -22.185 1.00 33.24 C ATOM 809 O THR A 54 -10.100 -9.302 -22.472 1.00 54.34 O ATOM 810 CB THR A 54 -9.099 -8.295 -19.646 1.00 60.11 C ATOM 811 OG1 THR A 54 -10.428 -8.833 -19.498 1.00 51.11 O ATOM 812 CG2 THR A 54 -9.169 -6.765 -19.780 1.00 11.10 C ATOM 0 H THR A 54 -6.867 -7.540 -21.296 1.00 72.01 H new ATOM 0 HA THR A 54 -8.346 -10.039 -20.670 1.00 25.41 H new ATOM 0 HB THR A 54 -8.518 -8.528 -18.753 1.00 60.11 H new ATOM 0 HG1 THR A 54 -10.873 -8.401 -18.739 1.00 51.11 H new ATOM 0 HG21 THR A 54 -9.697 -6.348 -18.922 1.00 11.10 H new ATOM 0 HG22 THR A 54 -8.159 -6.356 -19.818 1.00 11.10 H new ATOM 0 HG23 THR A 54 -9.700 -6.504 -20.695 1.00 11.10 H new ATOM 820 N GLN A 55 -8.512 -7.784 -22.995 1.00 11.33 N ATOM 821 CA GLN A 55 -9.063 -7.417 -24.311 1.00 22.24 C ATOM 822 C GLN A 55 -8.298 -8.166 -25.408 1.00 45.11 C ATOM 823 O GLN A 55 -7.093 -8.440 -25.260 1.00 24.41 O ATOM 824 CB GLN A 55 -8.959 -5.884 -24.523 1.00 44.45 C ATOM 825 CG GLN A 55 -9.571 -5.027 -23.392 1.00 71.14 C ATOM 826 CD GLN A 55 -11.053 -5.294 -23.098 1.00 71.41 C ATOM 827 OE1 GLN A 55 -11.487 -5.218 -21.945 1.00 12.42 O ATOM 828 NE2 GLN A 55 -11.858 -5.517 -24.124 1.00 14.53 N ATOM 0 H GLN A 55 -7.659 -7.278 -22.756 1.00 11.33 H new ATOM 0 HA GLN A 55 -10.115 -7.697 -24.357 1.00 22.24 H new ATOM 0 HB2 GLN A 55 -7.908 -5.618 -24.632 1.00 44.45 H new ATOM 0 HB3 GLN A 55 -9.452 -5.627 -25.461 1.00 44.45 H new ATOM 0 HG2 GLN A 55 -9.000 -5.197 -22.479 1.00 71.14 H new ATOM 0 HG3 GLN A 55 -9.452 -3.975 -23.651 1.00 71.14 H new ATOM 0 HE21 GLN A 55 -11.477 -5.576 -25.068 1.00 14.53 H new ATOM 0 HE22 GLN A 55 -12.860 -5.630 -23.971 1.00 14.53 H new ATOM 837 N LYS A 56 -9.006 -8.454 -26.522 1.00 21.55 N ATOM 838 CA LYS A 56 -8.468 -9.230 -27.663 1.00 4.32 C ATOM 839 C LYS A 56 -7.326 -8.468 -28.329 1.00 21.22 C ATOM 840 O LYS A 56 -6.198 -8.938 -28.315 1.00 10.04 O ATOM 841 CB LYS A 56 -9.582 -9.532 -28.706 1.00 12.23 C ATOM 842 CG LYS A 56 -10.858 -10.178 -28.131 1.00 23.31 C ATOM 843 CD LYS A 56 -10.612 -11.550 -27.455 1.00 64.53 C ATOM 844 CE LYS A 56 -11.885 -12.119 -26.796 1.00 2.21 C ATOM 845 NZ LYS A 56 -13.008 -12.291 -27.749 1.00 61.11 N ATOM 0 H LYS A 56 -9.971 -8.154 -26.656 1.00 21.55 H new ATOM 0 HA LYS A 56 -8.090 -10.177 -27.279 1.00 4.32 H new ATOM 0 HB2 LYS A 56 -9.856 -8.601 -29.201 1.00 12.23 H new ATOM 0 HB3 LYS A 56 -9.173 -10.192 -29.471 1.00 12.23 H new ATOM 0 HG2 LYS A 56 -11.302 -9.499 -27.403 1.00 23.31 H new ATOM 0 HG3 LYS A 56 -11.584 -10.304 -28.934 1.00 23.31 H new ATOM 0 HD2 LYS A 56 -10.244 -12.257 -28.198 1.00 64.53 H new ATOM 0 HD3 LYS A 56 -9.832 -11.446 -26.701 1.00 64.53 H new ATOM 0 HE2 LYS A 56 -11.652 -13.082 -26.341 1.00 2.21 H new ATOM 0 HE3 LYS A 56 -12.198 -11.454 -25.991 1.00 2.21 H new ATOM 0 HZ1 LYS A 56 -13.817 -12.723 -27.258 1.00 61.11 H new ATOM 0 HZ2 LYS A 56 -13.288 -11.363 -28.127 1.00 61.11 H new ATOM 0 HZ3 LYS A 56 -12.708 -12.907 -28.531 1.00 61.11 H new ATOM 859 N GLY A 57 -7.650 -7.264 -28.846 1.00 50.23 N ATOM 860 CA GLY A 57 -6.717 -6.447 -29.621 1.00 41.12 C ATOM 861 C GLY A 57 -5.451 -6.067 -28.867 1.00 42.10 C ATOM 862 O GLY A 57 -4.395 -5.907 -29.483 1.00 43.13 O ATOM 0 H GLY A 57 -8.570 -6.838 -28.733 1.00 50.23 H new ATOM 0 HA2 GLY A 57 -6.440 -6.989 -30.525 1.00 41.12 H new ATOM 0 HA3 GLY A 57 -7.225 -5.537 -29.939 1.00 41.12 H new ATOM 866 N ASN A 58 -5.555 -5.952 -27.532 1.00 14.25 N ATOM 867 CA ASN A 58 -4.405 -5.640 -26.658 1.00 30.45 C ATOM 868 C ASN A 58 -3.424 -6.825 -26.585 1.00 12.31 C ATOM 869 O ASN A 58 -2.207 -6.624 -26.508 1.00 32.14 O ATOM 870 CB ASN A 58 -4.878 -5.216 -25.249 1.00 11.33 C ATOM 871 CG ASN A 58 -5.566 -3.844 -25.230 1.00 24.34 C ATOM 872 OD1 ASN A 58 -6.779 -3.728 -25.407 1.00 15.11 O ATOM 873 ND2 ASN A 58 -4.787 -2.784 -25.053 1.00 51.22 N ATOM 0 H ASN A 58 -6.433 -6.072 -27.028 1.00 14.25 H new ATOM 0 HA ASN A 58 -3.871 -4.797 -27.097 1.00 30.45 H new ATOM 0 HB2 ASN A 58 -5.568 -5.967 -24.863 1.00 11.33 H new ATOM 0 HB3 ASN A 58 -4.021 -5.195 -24.576 1.00 11.33 H new ATOM 0 HD21 ASN A 58 -5.191 -1.847 -25.062 1.00 51.22 H new ATOM 0 HD22 ASN A 58 -3.785 -2.906 -24.908 1.00 51.22 H new ATOM 880 N LEU A 59 -3.962 -8.062 -26.607 1.00 64.32 N ATOM 881 CA LEU A 59 -3.133 -9.279 -26.672 1.00 4.14 C ATOM 882 C LEU A 59 -2.581 -9.489 -28.096 1.00 74.21 C ATOM 883 O LEU A 59 -1.402 -9.822 -28.274 1.00 23.35 O ATOM 884 CB LEU A 59 -3.955 -10.523 -26.237 1.00 62.15 C ATOM 885 CG LEU A 59 -3.156 -11.870 -26.189 1.00 63.34 C ATOM 886 CD1 LEU A 59 -2.066 -11.837 -25.100 1.00 41.23 C ATOM 887 CD2 LEU A 59 -4.093 -13.086 -26.019 1.00 65.35 C ATOM 0 H LEU A 59 -4.966 -8.242 -26.581 1.00 64.32 H new ATOM 0 HA LEU A 59 -2.295 -9.152 -25.987 1.00 4.14 H new ATOM 0 HB2 LEU A 59 -4.375 -10.333 -25.249 1.00 62.15 H new ATOM 0 HB3 LEU A 59 -4.794 -10.642 -26.923 1.00 62.15 H new ATOM 0 HG LEU A 59 -2.655 -11.985 -27.150 1.00 63.34 H new ATOM 0 HD11 LEU A 59 -1.530 -12.786 -25.093 1.00 41.23 H new ATOM 0 HD12 LEU A 59 -1.367 -11.027 -25.309 1.00 41.23 H new ATOM 0 HD13 LEU A 59 -2.529 -11.674 -24.127 1.00 41.23 H new ATOM 0 HD21 LEU A 59 -3.501 -14.001 -25.990 1.00 65.35 H new ATOM 0 HD22 LEU A 59 -4.653 -12.987 -25.089 1.00 65.35 H new ATOM 0 HD23 LEU A 59 -4.788 -13.130 -26.858 1.00 65.35 H new ATOM 899 N LEU A 60 -3.455 -9.263 -29.093 1.00 32.23 N ATOM 900 CA LEU A 60 -3.184 -9.558 -30.513 1.00 4.00 C ATOM 901 C LEU A 60 -2.022 -8.708 -31.068 1.00 4.32 C ATOM 902 O LEU A 60 -1.172 -9.225 -31.805 1.00 74.20 O ATOM 903 CB LEU A 60 -4.482 -9.361 -31.354 1.00 10.22 C ATOM 904 CG LEU A 60 -5.649 -10.371 -31.080 1.00 43.42 C ATOM 905 CD1 LEU A 60 -6.901 -10.024 -31.923 1.00 32.11 C ATOM 906 CD2 LEU A 60 -5.201 -11.834 -31.328 1.00 3.24 C ATOM 0 H LEU A 60 -4.381 -8.866 -28.934 1.00 32.23 H new ATOM 0 HA LEU A 60 -2.872 -10.600 -30.588 1.00 4.00 H new ATOM 0 HB2 LEU A 60 -4.854 -8.352 -31.177 1.00 10.22 H new ATOM 0 HB3 LEU A 60 -4.218 -9.422 -32.410 1.00 10.22 H new ATOM 0 HG LEU A 60 -5.918 -10.281 -30.028 1.00 43.42 H new ATOM 0 HD11 LEU A 60 -7.693 -10.742 -31.711 1.00 32.11 H new ATOM 0 HD12 LEU A 60 -7.244 -9.021 -31.670 1.00 32.11 H new ATOM 0 HD13 LEU A 60 -6.649 -10.064 -32.983 1.00 32.11 H new ATOM 0 HD21 LEU A 60 -6.034 -12.508 -31.129 1.00 3.24 H new ATOM 0 HD22 LEU A 60 -4.883 -11.946 -32.364 1.00 3.24 H new ATOM 0 HD23 LEU A 60 -4.371 -12.078 -30.665 1.00 3.24 H new ATOM 918 N ARG A 61 -1.981 -7.417 -30.673 1.00 13.31 N ATOM 919 CA ARG A 61 -0.894 -6.496 -31.057 1.00 61.31 C ATOM 920 C ARG A 61 0.429 -6.910 -30.401 1.00 24.40 C ATOM 921 O ARG A 61 1.483 -6.832 -31.020 1.00 34.14 O ATOM 922 CB ARG A 61 -1.232 -5.029 -30.649 1.00 53.24 C ATOM 923 CG ARG A 61 -1.461 -4.806 -29.133 1.00 64.32 C ATOM 924 CD ARG A 61 -1.616 -3.324 -28.736 1.00 42.25 C ATOM 925 NE ARG A 61 -0.324 -2.621 -28.700 1.00 51.11 N ATOM 926 CZ ARG A 61 -0.156 -1.293 -28.771 1.00 1.35 C ATOM 927 NH1 ARG A 61 -1.193 -0.464 -28.906 1.00 15.14 N ATOM 928 NH2 ARG A 61 1.064 -0.796 -28.657 1.00 21.23 N ATOM 0 H ARG A 61 -2.695 -6.989 -30.084 1.00 13.31 H new ATOM 0 HA ARG A 61 -0.790 -6.549 -32.141 1.00 61.31 H new ATOM 0 HB2 ARG A 61 -0.420 -4.380 -30.977 1.00 53.24 H new ATOM 0 HB3 ARG A 61 -2.127 -4.716 -31.186 1.00 53.24 H new ATOM 0 HG2 ARG A 61 -2.355 -5.349 -28.827 1.00 64.32 H new ATOM 0 HG3 ARG A 61 -0.623 -5.234 -28.582 1.00 64.32 H new ATOM 0 HD2 ARG A 61 -2.279 -2.827 -29.445 1.00 42.25 H new ATOM 0 HD3 ARG A 61 -2.090 -3.259 -27.757 1.00 42.25 H new ATOM 0 HE ARG A 61 0.516 -3.193 -28.614 1.00 51.11 H new ATOM 0 HH11 ARG A 61 -2.141 -0.837 -28.958 1.00 15.14 H new ATOM 0 HH12 ARG A 61 -1.038 0.543 -28.958 1.00 15.14 H new ATOM 0 HH21 ARG A 61 1.858 -1.421 -28.518 1.00 21.23 H new ATOM 0 HH22 ARG A 61 1.211 0.212 -28.709 1.00 21.23 H new ATOM 942 N HIS A 62 0.332 -7.383 -29.141 1.00 53.22 N ATOM 943 CA HIS A 62 1.490 -7.687 -28.298 1.00 71.21 C ATOM 944 C HIS A 62 2.260 -8.899 -28.839 1.00 50.24 C ATOM 945 O HIS A 62 3.457 -8.801 -29.133 1.00 41.23 O ATOM 946 CB HIS A 62 1.033 -7.928 -26.833 1.00 33.22 C ATOM 947 CG HIS A 62 2.165 -8.153 -25.888 1.00 71.04 C ATOM 948 ND1 HIS A 62 2.881 -7.132 -25.334 1.00 75.53 N ATOM 949 CD2 HIS A 62 2.716 -9.293 -25.426 1.00 10.31 C ATOM 950 CE1 HIS A 62 3.834 -7.659 -24.568 1.00 31.21 C ATOM 951 NE2 HIS A 62 3.783 -8.985 -24.579 1.00 45.12 N ATOM 0 H HIS A 62 -0.562 -7.563 -28.684 1.00 53.22 H new ATOM 0 HA HIS A 62 2.166 -6.832 -28.315 1.00 71.21 H new ATOM 0 HB2 HIS A 62 0.453 -7.069 -26.495 1.00 33.22 H new ATOM 0 HB3 HIS A 62 0.369 -8.792 -26.805 1.00 33.22 H new ATOM 0 HD1 HIS A 62 2.715 -6.136 -25.481 1.00 75.53 H new ATOM 0 HD2 HIS A 62 2.384 -10.291 -25.673 1.00 10.31 H new ATOM 0 HE1 HIS A 62 4.556 -7.082 -24.009 1.00 31.21 H new ATOM 959 N ILE A 63 1.537 -10.021 -29.004 1.00 11.40 N ATOM 960 CA ILE A 63 2.095 -11.296 -29.500 1.00 50.50 C ATOM 961 C ILE A 63 2.603 -11.157 -30.954 1.00 25.33 C ATOM 962 O ILE A 63 3.486 -11.884 -31.386 1.00 60.21 O ATOM 963 CB ILE A 63 1.037 -12.463 -29.376 1.00 63.45 C ATOM 964 CG1 ILE A 63 -0.195 -12.207 -30.302 1.00 5.32 C ATOM 965 CG2 ILE A 63 0.581 -12.623 -27.902 1.00 52.14 C ATOM 966 CD1 ILE A 63 -1.271 -13.286 -30.277 1.00 33.42 C ATOM 0 H ILE A 63 0.540 -10.071 -28.795 1.00 11.40 H new ATOM 0 HA ILE A 63 2.950 -11.551 -28.874 1.00 50.50 H new ATOM 0 HB ILE A 63 1.515 -13.388 -29.699 1.00 63.45 H new ATOM 0 HG12 ILE A 63 -0.650 -11.258 -30.018 1.00 5.32 H new ATOM 0 HG13 ILE A 63 0.160 -12.096 -31.327 1.00 5.32 H new ATOM 0 HG21 ILE A 63 -0.148 -13.431 -27.832 1.00 52.14 H new ATOM 0 HG22 ILE A 63 1.443 -12.857 -27.278 1.00 52.14 H new ATOM 0 HG23 ILE A 63 0.127 -11.694 -27.559 1.00 52.14 H new ATOM 0 HD11 ILE A 63 -2.079 -13.010 -30.954 1.00 33.42 H new ATOM 0 HD12 ILE A 63 -0.841 -14.236 -30.594 1.00 33.42 H new ATOM 0 HD13 ILE A 63 -1.663 -13.385 -29.265 1.00 33.42 H new ATOM 978 N LYS A 64 2.003 -10.216 -31.695 1.00 15.30 N ATOM 979 CA LYS A 64 2.421 -9.856 -33.059 1.00 20.30 C ATOM 980 C LYS A 64 3.812 -9.191 -33.053 1.00 31.32 C ATOM 981 O LYS A 64 4.684 -9.537 -33.861 1.00 11.41 O ATOM 982 CB LYS A 64 1.358 -8.911 -33.663 1.00 12.44 C ATOM 983 CG LYS A 64 1.601 -8.483 -35.125 1.00 60.40 C ATOM 984 CD LYS A 64 0.729 -7.273 -35.540 1.00 1.11 C ATOM 985 CE LYS A 64 1.012 -6.036 -34.670 1.00 50.53 C ATOM 986 NZ LYS A 64 0.291 -4.824 -35.145 1.00 11.31 N ATOM 0 H LYS A 64 1.204 -9.676 -31.361 1.00 15.30 H new ATOM 0 HA LYS A 64 2.500 -10.756 -33.668 1.00 20.30 H new ATOM 0 HB2 LYS A 64 0.386 -9.401 -33.603 1.00 12.44 H new ATOM 0 HB3 LYS A 64 1.302 -8.015 -33.045 1.00 12.44 H new ATOM 0 HG2 LYS A 64 2.653 -8.231 -35.256 1.00 60.40 H new ATOM 0 HG3 LYS A 64 1.390 -9.323 -35.786 1.00 60.40 H new ATOM 0 HD2 LYS A 64 0.917 -7.032 -36.586 1.00 1.11 H new ATOM 0 HD3 LYS A 64 -0.325 -7.540 -35.459 1.00 1.11 H new ATOM 0 HE2 LYS A 64 0.722 -6.247 -33.641 1.00 50.53 H new ATOM 0 HE3 LYS A 64 2.084 -5.838 -34.665 1.00 50.53 H new ATOM 0 HZ1 LYS A 64 0.516 -4.020 -34.524 1.00 11.31 H new ATOM 0 HZ2 LYS A 64 0.586 -4.604 -36.118 1.00 11.31 H new ATOM 0 HZ3 LYS A 64 -0.734 -5.000 -35.125 1.00 11.31 H new ATOM 1000 N LEU A 65 4.015 -8.270 -32.090 1.00 51.12 N ATOM 1001 CA LEU A 65 5.273 -7.504 -31.948 1.00 15.44 C ATOM 1002 C LEU A 65 6.459 -8.391 -31.511 1.00 0.42 C ATOM 1003 O LEU A 65 7.616 -7.982 -31.652 1.00 4.40 O ATOM 1004 CB LEU A 65 5.085 -6.326 -30.953 1.00 51.54 C ATOM 1005 CG LEU A 65 4.149 -5.167 -31.422 1.00 32.51 C ATOM 1006 CD1 LEU A 65 4.004 -4.088 -30.329 1.00 23.41 C ATOM 1007 CD2 LEU A 65 4.640 -4.551 -32.749 1.00 14.03 C ATOM 0 H LEU A 65 3.313 -8.035 -31.388 1.00 51.12 H new ATOM 0 HA LEU A 65 5.515 -7.106 -32.934 1.00 15.44 H new ATOM 0 HB2 LEU A 65 4.692 -6.727 -30.019 1.00 51.54 H new ATOM 0 HB3 LEU A 65 6.066 -5.905 -30.731 1.00 51.54 H new ATOM 0 HG LEU A 65 3.162 -5.594 -31.600 1.00 32.51 H new ATOM 0 HD11 LEU A 65 3.347 -3.295 -30.686 1.00 23.41 H new ATOM 0 HD12 LEU A 65 3.579 -4.535 -29.430 1.00 23.41 H new ATOM 0 HD13 LEU A 65 4.984 -3.670 -30.098 1.00 23.41 H new ATOM 0 HD21 LEU A 65 3.967 -3.747 -33.048 1.00 14.03 H new ATOM 0 HD22 LEU A 65 5.645 -4.151 -32.615 1.00 14.03 H new ATOM 0 HD23 LEU A 65 4.655 -5.319 -33.523 1.00 14.03 H new ATOM 1019 N HIS A 66 6.161 -9.603 -30.990 1.00 42.10 N ATOM 1020 CA HIS A 66 7.183 -10.625 -30.657 1.00 74.23 C ATOM 1021 C HIS A 66 8.053 -10.972 -31.886 1.00 41.13 C ATOM 1022 O HIS A 66 9.225 -11.328 -31.725 1.00 62.33 O ATOM 1023 CB HIS A 66 6.526 -11.923 -30.092 1.00 32.32 C ATOM 1024 CG HIS A 66 6.073 -11.829 -28.666 1.00 4.35 C ATOM 1025 ND1 HIS A 66 6.212 -12.854 -27.759 1.00 35.34 N ATOM 1026 CD2 HIS A 66 5.486 -10.813 -27.996 1.00 15.53 C ATOM 1027 CE1 HIS A 66 5.717 -12.442 -26.599 1.00 74.43 C ATOM 1028 NE2 HIS A 66 5.256 -11.210 -26.688 1.00 70.34 N ATOM 0 H HIS A 66 5.207 -9.901 -30.788 1.00 42.10 H new ATOM 0 HA HIS A 66 7.823 -10.195 -29.887 1.00 74.23 H new ATOM 0 HB2 HIS A 66 5.669 -12.180 -30.715 1.00 32.32 H new ATOM 0 HB3 HIS A 66 7.240 -12.742 -30.178 1.00 32.32 H new ATOM 0 HD2 HIS A 66 5.236 -9.848 -28.412 1.00 15.53 H new ATOM 0 HE1 HIS A 66 5.695 -13.038 -25.699 1.00 74.43 H new ATOM 0 HE2 HIS A 66 4.820 -10.662 -25.947 1.00 70.34 H new ATOM 1036 N SER A 67 7.453 -10.861 -33.100 1.00 63.12 N ATOM 1037 CA SER A 67 8.123 -11.147 -34.397 1.00 74.55 C ATOM 1038 C SER A 67 8.418 -12.661 -34.561 1.00 51.35 C ATOM 1039 O SER A 67 8.165 -13.456 -33.641 1.00 33.51 O ATOM 1040 CB SER A 67 9.412 -10.282 -34.561 1.00 54.52 C ATOM 1041 OG SER A 67 9.105 -8.901 -34.462 1.00 34.23 O ATOM 0 H SER A 67 6.482 -10.568 -33.207 1.00 63.12 H new ATOM 0 HA SER A 67 7.438 -10.869 -35.198 1.00 74.55 H new ATOM 0 HB2 SER A 67 10.138 -10.554 -33.795 1.00 54.52 H new ATOM 0 HB3 SER A 67 9.874 -10.489 -35.526 1.00 54.52 H new ATOM 0 HG SER A 67 8.741 -8.710 -33.573 1.00 34.23 H new ATOM 1047 N GLY A 68 8.921 -13.065 -35.748 1.00 40.20 N ATOM 1048 CA GLY A 68 9.209 -14.477 -36.035 1.00 65.34 C ATOM 1049 C GLY A 68 7.964 -15.215 -36.533 1.00 14.50 C ATOM 1050 O GLY A 68 7.937 -15.741 -37.654 1.00 5.23 O ATOM 0 H GLY A 68 9.134 -12.431 -36.518 1.00 40.20 H new ATOM 0 HA2 GLY A 68 9.997 -14.543 -36.786 1.00 65.34 H new ATOM 0 HA3 GLY A 68 9.585 -14.963 -35.135 1.00 65.34 H new ATOM 1054 N GLU A 69 6.922 -15.245 -35.682 1.00 11.32 N ATOM 1055 CA GLU A 69 5.598 -15.793 -36.035 1.00 70.43 C ATOM 1056 C GLU A 69 4.752 -14.689 -36.760 1.00 14.24 C ATOM 1057 O GLU A 69 5.299 -13.628 -37.110 1.00 63.24 O ATOM 1058 CB GLU A 69 4.903 -16.316 -34.732 1.00 24.03 C ATOM 1059 CG GLU A 69 3.890 -17.457 -34.956 1.00 13.42 C ATOM 1060 CD GLU A 69 3.146 -17.877 -33.685 1.00 52.13 C ATOM 1061 OE1 GLU A 69 3.806 -18.307 -32.716 1.00 54.52 O ATOM 1062 OE2 GLU A 69 1.900 -17.756 -33.627 1.00 24.14 O ATOM 0 H GLU A 69 6.974 -14.889 -34.728 1.00 11.32 H new ATOM 0 HA GLU A 69 5.695 -16.632 -36.724 1.00 70.43 H new ATOM 0 HB2 GLU A 69 5.671 -16.661 -34.040 1.00 24.03 H new ATOM 0 HB3 GLU A 69 4.391 -15.483 -34.250 1.00 24.03 H new ATOM 0 HG2 GLU A 69 3.163 -17.144 -35.705 1.00 13.42 H new ATOM 0 HG3 GLU A 69 4.414 -18.322 -35.362 1.00 13.42 H new ATOM 1069 N LYS A 70 3.434 -14.958 -36.978 1.00 61.03 N ATOM 1070 CA LYS A 70 2.496 -14.091 -37.745 1.00 12.23 C ATOM 1071 C LYS A 70 2.826 -14.104 -39.266 1.00 73.43 C ATOM 1072 O LYS A 70 3.989 -13.947 -39.664 1.00 11.20 O ATOM 1073 CB LYS A 70 2.400 -12.615 -37.184 1.00 70.42 C ATOM 1074 CG LYS A 70 1.417 -12.349 -36.003 1.00 31.10 C ATOM 1075 CD LYS A 70 1.788 -13.045 -34.655 1.00 33.21 C ATOM 1076 CE LYS A 70 1.126 -14.414 -34.463 1.00 71.00 C ATOM 1077 NZ LYS A 70 1.457 -15.007 -33.135 1.00 44.40 N ATOM 0 H LYS A 70 2.986 -15.801 -36.618 1.00 61.03 H new ATOM 0 HA LYS A 70 1.506 -14.526 -37.608 1.00 12.23 H new ATOM 0 HB2 LYS A 70 3.397 -12.313 -36.864 1.00 70.42 H new ATOM 0 HB3 LYS A 70 2.118 -11.961 -38.009 1.00 70.42 H new ATOM 0 HG2 LYS A 70 1.361 -11.274 -35.834 1.00 31.10 H new ATOM 0 HG3 LYS A 70 0.421 -12.677 -36.300 1.00 31.10 H new ATOM 0 HD2 LYS A 70 2.870 -13.165 -34.605 1.00 33.21 H new ATOM 0 HD3 LYS A 70 1.501 -12.394 -33.829 1.00 33.21 H new ATOM 0 HE2 LYS A 70 0.045 -14.311 -34.556 1.00 71.00 H new ATOM 0 HE3 LYS A 70 1.451 -15.089 -35.254 1.00 71.00 H new ATOM 0 HZ1 LYS A 70 1.558 -16.038 -33.230 1.00 44.40 H new ATOM 0 HZ2 LYS A 70 2.350 -14.603 -32.787 1.00 44.40 H new ATOM 0 HZ3 LYS A 70 0.695 -14.795 -32.460 1.00 44.40 H new ATOM 1091 N PRO A 71 1.787 -14.298 -40.156 1.00 50.51 N ATOM 1092 CA PRO A 71 1.990 -14.319 -41.627 1.00 74.33 C ATOM 1093 C PRO A 71 2.466 -12.949 -42.161 1.00 42.40 C ATOM 1094 O PRO A 71 1.805 -11.918 -41.949 1.00 13.12 O ATOM 1095 CB PRO A 71 0.591 -14.686 -42.181 1.00 61.41 C ATOM 1096 CG PRO A 71 -0.374 -14.270 -41.116 1.00 42.42 C ATOM 1097 CD PRO A 71 0.340 -14.511 -39.805 1.00 20.30 C ATOM 0 HA PRO A 71 2.765 -15.022 -41.931 1.00 74.33 H new ATOM 0 HB2 PRO A 71 0.390 -14.168 -43.119 1.00 61.41 H new ATOM 0 HB3 PRO A 71 0.516 -15.754 -42.385 1.00 61.41 H new ATOM 0 HG2 PRO A 71 -0.650 -13.221 -41.225 1.00 42.42 H new ATOM 0 HG3 PRO A 71 -1.295 -14.850 -41.173 1.00 42.42 H new ATOM 0 HD2 PRO A 71 0.007 -13.818 -39.032 1.00 20.30 H new ATOM 0 HD3 PRO A 71 0.161 -15.518 -39.429 1.00 20.30 H new ATOM 1105 N PHE A 72 3.629 -12.956 -42.837 1.00 33.24 N ATOM 1106 CA PHE A 72 4.227 -11.740 -43.425 1.00 43.11 C ATOM 1107 C PHE A 72 3.334 -11.210 -44.565 1.00 11.45 C ATOM 1108 O PHE A 72 3.230 -10.004 -44.781 1.00 14.44 O ATOM 1109 CB PHE A 72 5.662 -12.024 -43.940 1.00 54.43 C ATOM 1110 CG PHE A 72 6.600 -12.642 -42.901 1.00 51.22 C ATOM 1111 CD1 PHE A 72 7.164 -11.867 -41.886 1.00 60.53 C ATOM 1112 CD2 PHE A 72 6.921 -14.002 -42.944 1.00 3.11 C ATOM 1113 CE1 PHE A 72 8.024 -12.430 -40.960 1.00 43.24 C ATOM 1114 CE2 PHE A 72 7.781 -14.562 -42.012 1.00 63.11 C ATOM 1115 CZ PHE A 72 8.323 -13.776 -41.019 1.00 11.12 C ATOM 0 H PHE A 72 4.180 -13.800 -42.992 1.00 33.24 H new ATOM 0 HA PHE A 72 4.295 -10.977 -42.650 1.00 43.11 H new ATOM 0 HB2 PHE A 72 5.600 -12.693 -44.798 1.00 54.43 H new ATOM 0 HB3 PHE A 72 6.098 -11.090 -44.295 1.00 54.43 H new ATOM 0 HD1 PHE A 72 6.926 -10.815 -41.823 1.00 60.53 H new ATOM 0 HD2 PHE A 72 6.493 -14.626 -43.715 1.00 3.11 H new ATOM 0 HE1 PHE A 72 8.463 -11.814 -40.189 1.00 43.24 H new ATOM 0 HE2 PHE A 72 8.026 -15.613 -42.064 1.00 63.11 H new ATOM 0 HZ PHE A 72 8.983 -14.214 -40.285 1.00 11.12 H new ATOM 1125 N LYS A 73 2.689 -12.150 -45.271 1.00 23.21 N ATOM 1126 CA LYS A 73 1.684 -11.848 -46.298 1.00 12.43 C ATOM 1127 C LYS A 73 0.320 -11.605 -45.612 1.00 4.42 C ATOM 1128 O LYS A 73 -0.145 -10.449 -45.583 1.00 54.14 O ATOM 1129 CB LYS A 73 1.582 -13.014 -47.319 1.00 33.42 C ATOM 1130 CG LYS A 73 2.870 -13.302 -48.107 1.00 12.51 C ATOM 1131 CD LYS A 73 3.308 -12.123 -49.009 1.00 34.23 C ATOM 1132 CE LYS A 73 4.569 -12.436 -49.829 1.00 63.01 C ATOM 1133 NZ LYS A 73 4.947 -11.292 -50.707 1.00 1.42 N ATOM 1134 OXT LYS A 73 -0.258 -12.570 -45.069 1.00 37.15 O ATOM 0 H LYS A 73 2.852 -13.149 -45.144 1.00 23.21 H new ATOM 0 HA LYS A 73 1.980 -10.951 -46.843 1.00 12.43 H new ATOM 0 HB2 LYS A 73 1.290 -13.919 -46.786 1.00 33.42 H new ATOM 0 HB3 LYS A 73 0.784 -12.789 -48.026 1.00 33.42 H new ATOM 0 HG2 LYS A 73 3.673 -13.533 -47.407 1.00 12.51 H new ATOM 0 HG3 LYS A 73 2.720 -14.188 -48.725 1.00 12.51 H new ATOM 0 HD2 LYS A 73 2.493 -11.868 -49.687 1.00 34.23 H new ATOM 0 HD3 LYS A 73 3.492 -11.246 -48.389 1.00 34.23 H new ATOM 0 HE2 LYS A 73 5.394 -12.667 -49.156 1.00 63.01 H new ATOM 0 HE3 LYS A 73 4.397 -13.323 -50.439 1.00 63.01 H new ATOM 0 HZ1 LYS A 73 5.802 -11.536 -51.247 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 4.168 -11.088 -51.366 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 5.135 -10.453 -50.122 1.00 1.42 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.906 -10.445 -23.854 1.00 23.52 ZN