USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 684 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 64 HIS HD1 : A 64 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 59 CYS SG : rot -99:sc= -5.38! USER MOD Set 1.2: A 82 CYS SG : rot -60:sc= -5.75! USER MOD Set 1.3: A 85 CYS SG : rot 71:sc= -6.2! USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0.857 USER MOD Set 2.2: A 65 THR OG1 : rot -113:sc= 0.769 USER MOD Set 3.1: A 44 CYS SG : rot 112:sc= -4.78! USER MOD Set 3.2: A 67 CYS SG : rot -119:sc= -16.8! USER MOD Single : A 1 SER N :NH3+ 146:sc= 0.0105 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00408 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -177:sc= 0 (180deg=-0.0193) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.137 K(o=-0.14,f=-2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -154:sc= -0.178 (180deg=-0.557) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0.358 (180deg=0.00102) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 45 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.48) USER MOD Single : A 53 MET CE :methyl 139:sc= -1.11 (180deg=-1.87) USER MOD Single : A 62 SER OG : rot 169:sc= 1.39 USER MOD Single : A 63 TYR OH : rot 89:sc= 0.416 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -60.893 53.639 58.260 1.00 11.23 N ATOM 2 CA SER A 1 -59.754 54.521 58.611 1.00 23.13 C ATOM 3 C SER A 1 -59.171 55.169 57.348 1.00 33.13 C ATOM 4 O SER A 1 -58.947 54.475 56.347 1.00 50.10 O ATOM 5 CB SER A 1 -58.677 53.710 59.366 1.00 33.13 C ATOM 6 OG SER A 1 -59.226 53.095 60.521 1.00 62.35 O ATOM 0 H1 SER A 1 -60.912 52.824 58.905 1.00 11.23 H new ATOM 0 H2 SER A 1 -61.783 54.170 58.346 1.00 11.23 H new ATOM 0 H3 SER A 1 -60.784 53.304 57.282 1.00 11.23 H new ATOM 0 HA SER A 1 -60.107 55.319 59.264 1.00 23.13 H new ATOM 0 HB2 SER A 1 -58.260 52.949 58.707 1.00 33.13 H new ATOM 0 HB3 SER A 1 -57.856 54.367 59.654 1.00 33.13 H new ATOM 0 HG SER A 1 -58.528 52.585 60.983 1.00 62.35 H new ATOM 14 N HIS A 2 -58.943 56.505 57.392 1.00 72.32 N ATOM 15 CA HIS A 2 -58.364 57.263 56.268 1.00 44.00 C ATOM 16 C HIS A 2 -56.923 56.794 55.997 1.00 21.54 C ATOM 17 O HIS A 2 -56.038 56.966 56.837 1.00 31.14 O ATOM 18 CB HIS A 2 -58.400 58.794 56.557 1.00 2.21 C ATOM 19 CG HIS A 2 -57.701 59.650 55.522 1.00 20.31 C ATOM 20 ND1 HIS A 2 -58.323 60.000 54.350 1.00 43.15 N ATOM 21 CD2 HIS A 2 -56.446 60.182 55.528 1.00 23.21 C ATOM 22 CE1 HIS A 2 -57.449 60.719 53.676 1.00 61.13 C ATOM 23 NE2 HIS A 2 -56.298 60.857 54.348 1.00 22.10 N ATOM 0 H HIS A 2 -59.156 57.080 58.207 1.00 72.32 H new ATOM 0 HA HIS A 2 -58.964 57.074 55.378 1.00 44.00 H new ATOM 0 HB2 HIS A 2 -59.440 59.112 56.629 1.00 2.21 H new ATOM 0 HB3 HIS A 2 -57.943 58.977 57.529 1.00 2.21 H new ATOM 0 HD2 HIS A 2 -55.710 60.088 56.313 1.00 23.21 H new ATOM 0 HE1 HIS A 2 -57.637 61.145 52.702 1.00 61.13 H new ATOM 0 HE2 HIS A 2 -55.471 61.367 54.039 1.00 22.10 H new ATOM 31 N MET A 3 -56.719 56.173 54.835 1.00 1.21 N ATOM 32 CA MET A 3 -55.391 55.773 54.349 1.00 3.02 C ATOM 33 C MET A 3 -54.778 56.912 53.507 1.00 54.53 C ATOM 34 O MET A 3 -55.479 57.871 53.154 1.00 2.21 O ATOM 35 CB MET A 3 -55.514 54.461 53.526 1.00 43.45 C ATOM 36 CG MET A 3 -56.049 53.260 54.319 1.00 61.53 C ATOM 37 SD MET A 3 -55.834 51.678 53.455 1.00 1.14 S ATOM 38 CE MET A 3 -56.807 51.907 51.961 1.00 21.42 C ATOM 0 H MET A 3 -57.476 55.930 54.196 1.00 1.21 H new ATOM 0 HA MET A 3 -54.727 55.585 55.193 1.00 3.02 H new ATOM 0 HB2 MET A 3 -56.172 54.641 52.676 1.00 43.45 H new ATOM 0 HB3 MET A 3 -54.534 54.207 53.123 1.00 43.45 H new ATOM 0 HG2 MET A 3 -55.540 53.213 55.282 1.00 61.53 H new ATOM 0 HG3 MET A 3 -57.108 53.412 54.526 1.00 61.53 H new ATOM 0 HE1 MET A 3 -56.797 50.987 51.376 1.00 21.42 H new ATOM 0 HE2 MET A 3 -57.834 52.155 52.230 1.00 21.42 H new ATOM 0 HE3 MET A 3 -56.381 52.718 51.370 1.00 21.42 H new ATOM 48 N SER A 4 -53.474 56.797 53.199 1.00 70.43 N ATOM 49 CA SER A 4 -52.725 57.797 52.411 1.00 25.11 C ATOM 50 C SER A 4 -53.125 57.724 50.916 1.00 51.21 C ATOM 51 O SER A 4 -52.348 57.247 50.077 1.00 0.14 O ATOM 52 CB SER A 4 -51.196 57.565 52.580 1.00 41.14 C ATOM 53 OG SER A 4 -50.815 57.531 53.946 1.00 22.42 O ATOM 0 H SER A 4 -52.905 56.003 53.491 1.00 70.43 H new ATOM 0 HA SER A 4 -52.973 58.793 52.779 1.00 25.11 H new ATOM 0 HB2 SER A 4 -50.916 56.627 52.101 1.00 41.14 H new ATOM 0 HB3 SER A 4 -50.650 58.358 52.070 1.00 41.14 H new ATOM 0 HG SER A 4 -49.849 57.382 54.012 1.00 22.42 H new ATOM 59 N GLY A 5 -54.346 58.195 50.607 1.00 51.23 N ATOM 60 CA GLY A 5 -54.906 58.102 49.260 1.00 73.32 C ATOM 61 C GLY A 5 -55.227 56.667 48.838 1.00 22.15 C ATOM 62 O GLY A 5 -56.363 56.203 48.984 1.00 54.45 O ATOM 0 H GLY A 5 -54.963 58.646 51.282 1.00 51.23 H new ATOM 0 HA2 GLY A 5 -55.816 58.701 49.210 1.00 73.32 H new ATOM 0 HA3 GLY A 5 -54.201 58.533 48.550 1.00 73.32 H new ATOM 66 N GLY A 6 -54.192 55.958 48.366 1.00 54.40 N ATOM 67 CA GLY A 6 -54.330 54.616 47.796 1.00 13.03 C ATOM 68 C GLY A 6 -54.346 54.668 46.279 1.00 33.14 C ATOM 69 O GLY A 6 -53.540 55.397 45.683 1.00 10.24 O ATOM 0 H GLY A 6 -53.232 56.303 48.370 1.00 54.40 H new ATOM 0 HA2 GLY A 6 -53.506 53.987 48.133 1.00 13.03 H new ATOM 0 HA3 GLY A 6 -55.250 54.156 48.157 1.00 13.03 H new ATOM 73 N SER A 7 -55.251 53.899 45.658 1.00 75.23 N ATOM 74 CA SER A 7 -55.442 53.890 44.201 1.00 34.41 C ATOM 75 C SER A 7 -56.716 53.095 43.840 1.00 41.30 C ATOM 76 O SER A 7 -57.021 52.101 44.508 1.00 0.41 O ATOM 77 CB SER A 7 -54.202 53.285 43.480 1.00 4.13 C ATOM 78 OG SER A 7 -53.889 51.983 43.951 1.00 4.13 O ATOM 0 H SER A 7 -55.874 53.263 46.155 1.00 75.23 H new ATOM 0 HA SER A 7 -55.559 54.920 43.863 1.00 34.41 H new ATOM 0 HB2 SER A 7 -54.391 53.245 42.407 1.00 4.13 H new ATOM 0 HB3 SER A 7 -53.343 53.939 43.628 1.00 4.13 H new ATOM 0 HG SER A 7 -53.106 51.641 43.471 1.00 4.13 H new ATOM 84 N PRO A 8 -57.484 53.515 42.779 1.00 51.10 N ATOM 85 CA PRO A 8 -58.676 52.761 42.292 1.00 31.31 C ATOM 86 C PRO A 8 -58.292 51.470 41.519 1.00 21.02 C ATOM 87 O PRO A 8 -57.213 50.912 41.737 1.00 54.25 O ATOM 88 CB PRO A 8 -59.371 53.797 41.373 1.00 20.32 C ATOM 89 CG PRO A 8 -58.256 54.646 40.849 1.00 52.03 C ATOM 90 CD PRO A 8 -57.273 54.777 41.992 1.00 65.23 C ATOM 0 HA PRO A 8 -59.309 52.398 43.102 1.00 31.31 H new ATOM 0 HB2 PRO A 8 -59.911 53.308 40.562 1.00 20.32 H new ATOM 0 HB3 PRO A 8 -60.097 54.393 41.926 1.00 20.32 H new ATOM 0 HG2 PRO A 8 -57.787 54.185 39.980 1.00 52.03 H new ATOM 0 HG3 PRO A 8 -58.622 55.623 40.533 1.00 52.03 H new ATOM 0 HD2 PRO A 8 -56.247 54.860 41.632 1.00 65.23 H new ATOM 0 HD3 PRO A 8 -57.472 55.664 42.594 1.00 65.23 H new ATOM 98 N LEU A 9 -59.189 50.983 40.635 1.00 35.55 N ATOM 99 CA LEU A 9 -58.933 49.794 39.793 1.00 65.52 C ATOM 100 C LEU A 9 -59.550 49.977 38.396 1.00 22.22 C ATOM 101 O LEU A 9 -60.148 51.021 38.104 1.00 15.21 O ATOM 102 CB LEU A 9 -59.431 48.491 40.518 1.00 13.42 C ATOM 103 CG LEU A 9 -60.892 48.485 41.117 1.00 60.33 C ATOM 104 CD1 LEU A 9 -62.002 48.389 40.042 1.00 31.54 C ATOM 105 CD2 LEU A 9 -61.052 47.356 42.160 1.00 52.34 C ATOM 0 H LEU A 9 -60.107 51.401 40.485 1.00 35.55 H new ATOM 0 HA LEU A 9 -57.859 49.681 39.646 1.00 65.52 H new ATOM 0 HB2 LEU A 9 -59.358 47.666 39.809 1.00 13.42 H new ATOM 0 HB3 LEU A 9 -58.737 48.275 41.330 1.00 13.42 H new ATOM 0 HG LEU A 9 -61.020 49.451 41.605 1.00 60.33 H new ATOM 0 HD11 LEU A 9 -62.979 48.390 40.526 1.00 31.54 H new ATOM 0 HD12 LEU A 9 -61.930 49.243 39.368 1.00 31.54 H new ATOM 0 HD13 LEU A 9 -61.880 47.467 39.474 1.00 31.54 H new ATOM 0 HD21 LEU A 9 -62.066 47.371 42.559 1.00 52.34 H new ATOM 0 HD22 LEU A 9 -60.863 46.393 41.686 1.00 52.34 H new ATOM 0 HD23 LEU A 9 -60.340 47.507 42.972 1.00 52.34 H new ATOM 117 N ALA A 10 -59.375 48.969 37.526 1.00 55.32 N ATOM 118 CA ALA A 10 -59.949 48.956 36.174 1.00 23.11 C ATOM 119 C ALA A 10 -60.409 47.528 35.849 1.00 64.01 C ATOM 120 O ALA A 10 -59.586 46.600 35.817 1.00 44.23 O ATOM 121 CB ALA A 10 -58.914 49.453 35.146 1.00 52.15 C ATOM 0 H ALA A 10 -58.828 48.136 37.744 1.00 55.32 H new ATOM 0 HA ALA A 10 -60.805 49.629 36.127 1.00 23.11 H new ATOM 0 HB1 ALA A 10 -59.355 49.437 34.149 1.00 52.15 H new ATOM 0 HB2 ALA A 10 -58.614 50.471 35.394 1.00 52.15 H new ATOM 0 HB3 ALA A 10 -58.040 48.802 35.166 1.00 52.15 H new ATOM 127 N THR A 11 -61.723 47.349 35.642 1.00 63.35 N ATOM 128 CA THR A 11 -62.313 46.043 35.296 1.00 1.22 C ATOM 129 C THR A 11 -62.320 45.841 33.772 1.00 42.15 C ATOM 130 O THR A 11 -62.160 44.717 33.286 1.00 22.40 O ATOM 131 CB THR A 11 -63.768 45.931 35.853 1.00 12.10 C ATOM 132 OG1 THR A 11 -64.550 47.038 35.378 1.00 12.32 O ATOM 133 CG2 THR A 11 -63.797 45.924 37.392 1.00 3.24 C ATOM 0 H THR A 11 -62.407 48.103 35.709 1.00 63.35 H new ATOM 0 HA THR A 11 -61.702 45.264 35.752 1.00 1.22 H new ATOM 0 HB THR A 11 -64.183 44.987 35.501 1.00 12.10 H new ATOM 0 HG1 THR A 11 -65.463 46.967 35.726 1.00 12.32 H new ATOM 0 HG21 THR A 11 -64.828 45.845 37.736 1.00 3.24 H new ATOM 0 HG22 THR A 11 -63.224 45.074 37.763 1.00 3.24 H new ATOM 0 HG23 THR A 11 -63.359 46.848 37.768 1.00 3.24 H new ATOM 141 N GLY A 12 -62.502 46.956 33.036 1.00 34.22 N ATOM 142 CA GLY A 12 -62.559 46.949 31.571 1.00 64.42 C ATOM 143 C GLY A 12 -61.181 47.035 30.923 1.00 34.21 C ATOM 144 O GLY A 12 -60.896 47.965 30.157 1.00 61.41 O ATOM 0 H GLY A 12 -62.613 47.883 33.446 1.00 34.22 H new ATOM 0 HA2 GLY A 12 -63.056 46.039 31.236 1.00 64.42 H new ATOM 0 HA3 GLY A 12 -63.167 47.788 31.232 1.00 64.42 H new ATOM 148 N THR A 13 -60.319 46.060 31.261 1.00 42.34 N ATOM 149 CA THR A 13 -58.976 45.912 30.676 1.00 64.12 C ATOM 150 C THR A 13 -58.568 44.424 30.715 1.00 35.14 C ATOM 151 O THR A 13 -58.393 43.834 31.795 1.00 35.23 O ATOM 152 CB THR A 13 -57.901 46.826 31.382 1.00 13.54 C ATOM 153 OG1 THR A 13 -56.590 46.573 30.836 1.00 45.13 O ATOM 154 CG2 THR A 13 -57.857 46.653 32.911 1.00 32.51 C ATOM 0 H THR A 13 -60.538 45.346 31.955 1.00 42.34 H new ATOM 0 HA THR A 13 -59.016 46.250 29.641 1.00 64.12 H new ATOM 0 HB THR A 13 -58.205 47.854 31.184 1.00 13.54 H new ATOM 0 HG1 THR A 13 -55.933 47.148 31.282 1.00 45.13 H new ATOM 0 HG21 THR A 13 -57.096 47.311 33.330 1.00 32.51 H new ATOM 0 HG22 THR A 13 -58.829 46.907 33.334 1.00 32.51 H new ATOM 0 HG23 THR A 13 -57.615 45.618 33.153 1.00 32.51 H new ATOM 162 N THR A 14 -58.484 43.797 29.527 1.00 0.22 N ATOM 163 CA THR A 14 -58.084 42.381 29.371 1.00 35.15 C ATOM 164 C THR A 14 -56.944 42.270 28.347 1.00 22.11 C ATOM 165 O THR A 14 -56.823 43.113 27.442 1.00 62.52 O ATOM 166 CB THR A 14 -59.314 41.484 28.964 1.00 5.14 C ATOM 167 OG1 THR A 14 -58.923 40.112 28.763 1.00 42.22 O ATOM 168 CG2 THR A 14 -60.037 41.996 27.706 1.00 51.22 C ATOM 0 H THR A 14 -58.692 44.259 28.642 1.00 0.22 H new ATOM 0 HA THR A 14 -57.722 42.012 30.331 1.00 35.15 H new ATOM 0 HB THR A 14 -60.011 41.544 29.800 1.00 5.14 H new ATOM 0 HG1 THR A 14 -59.708 39.581 28.513 1.00 42.22 H new ATOM 0 HG21 THR A 14 -60.875 41.338 27.475 1.00 51.22 H new ATOM 0 HG22 THR A 14 -60.407 43.006 27.885 1.00 51.22 H new ATOM 0 HG23 THR A 14 -59.342 42.007 26.866 1.00 51.22 H new ATOM 176 N ALA A 15 -56.105 41.232 28.508 1.00 41.04 N ATOM 177 CA ALA A 15 -54.890 41.039 27.706 1.00 63.11 C ATOM 178 C ALA A 15 -55.228 40.517 26.295 1.00 42.43 C ATOM 179 O ALA A 15 -55.314 39.305 26.058 1.00 72.23 O ATOM 180 CB ALA A 15 -53.911 40.113 28.450 1.00 51.45 C ATOM 0 H ALA A 15 -56.254 40.501 29.203 1.00 41.04 H new ATOM 0 HA ALA A 15 -54.400 42.003 27.570 1.00 63.11 H new ATOM 0 HB1 ALA A 15 -53.013 39.975 27.849 1.00 51.45 H new ATOM 0 HB2 ALA A 15 -53.642 40.561 29.407 1.00 51.45 H new ATOM 0 HB3 ALA A 15 -54.384 39.146 28.622 1.00 51.45 H new ATOM 186 N ASN A 16 -55.494 41.468 25.384 1.00 33.33 N ATOM 187 CA ASN A 16 -55.644 41.205 23.945 1.00 74.40 C ATOM 188 C ASN A 16 -54.666 42.105 23.179 1.00 74.45 C ATOM 189 O ASN A 16 -54.633 43.325 23.389 1.00 30.34 O ATOM 190 CB ASN A 16 -57.103 41.441 23.454 1.00 72.20 C ATOM 191 CG ASN A 16 -58.090 40.383 23.962 1.00 53.41 C ATOM 192 OD1 ASN A 16 -58.679 40.523 25.033 1.00 43.14 O ATOM 193 ND2 ASN A 16 -58.295 39.326 23.180 1.00 74.33 N ATOM 0 H ASN A 16 -55.612 42.451 25.630 1.00 33.33 H new ATOM 0 HA ASN A 16 -55.418 40.155 23.757 1.00 74.40 H new ATOM 0 HB2 ASN A 16 -57.435 42.426 23.782 1.00 72.20 H new ATOM 0 HB3 ASN A 16 -57.116 41.447 22.364 1.00 72.20 H new ATOM 0 HD21 ASN A 16 -58.956 38.603 23.463 1.00 74.33 H new ATOM 0 HD22 ASN A 16 -57.791 39.239 22.298 1.00 74.33 H new ATOM 200 N THR A 17 -53.869 41.489 22.290 1.00 70.42 N ATOM 201 CA THR A 17 -52.832 42.187 21.517 1.00 61.03 C ATOM 202 C THR A 17 -52.460 41.363 20.267 1.00 1.23 C ATOM 203 O THR A 17 -52.720 40.151 20.206 1.00 13.32 O ATOM 204 CB THR A 17 -51.568 42.471 22.413 1.00 53.50 C ATOM 205 OG1 THR A 17 -50.630 43.322 21.730 1.00 11.42 O ATOM 206 CG2 THR A 17 -50.857 41.177 22.854 1.00 60.55 C ATOM 0 H THR A 17 -53.927 40.491 22.088 1.00 70.42 H new ATOM 0 HA THR A 17 -53.224 43.149 21.187 1.00 61.03 H new ATOM 0 HB THR A 17 -51.935 42.977 23.306 1.00 53.50 H new ATOM 0 HG1 THR A 17 -49.855 43.485 22.308 1.00 11.42 H new ATOM 0 HG21 THR A 17 -49.993 41.428 23.469 1.00 60.55 H new ATOM 0 HG22 THR A 17 -51.547 40.562 23.431 1.00 60.55 H new ATOM 0 HG23 THR A 17 -50.528 40.625 21.974 1.00 60.55 H new ATOM 214 N ARG A 18 -51.887 42.043 19.258 1.00 24.44 N ATOM 215 CA ARG A 18 -51.395 41.405 18.021 1.00 31.51 C ATOM 216 C ARG A 18 -49.941 41.845 17.754 1.00 65.34 C ATOM 217 O ARG A 18 -49.691 42.932 17.212 1.00 74.13 O ATOM 218 CB ARG A 18 -52.312 41.735 16.802 1.00 20.12 C ATOM 219 CG ARG A 18 -53.723 41.094 16.827 1.00 2.41 C ATOM 220 CD ARG A 18 -54.535 41.380 15.546 1.00 31.24 C ATOM 221 NE ARG A 18 -53.810 40.967 14.324 1.00 44.22 N ATOM 222 CZ ARG A 18 -54.327 40.273 13.295 1.00 1.12 C ATOM 223 NH1 ARG A 18 -55.604 39.882 13.290 1.00 1.21 N ATOM 224 NH2 ARG A 18 -53.557 39.975 12.262 1.00 53.32 N ATOM 0 H ARG A 18 -51.751 43.054 19.276 1.00 24.44 H new ATOM 0 HA ARG A 18 -51.420 40.324 18.156 1.00 31.51 H new ATOM 0 HB2 ARG A 18 -52.426 42.817 16.740 1.00 20.12 H new ATOM 0 HB3 ARG A 18 -51.804 41.415 15.892 1.00 20.12 H new ATOM 0 HG2 ARG A 18 -53.625 40.016 16.956 1.00 2.41 H new ATOM 0 HG3 ARG A 18 -54.272 41.469 17.691 1.00 2.41 H new ATOM 0 HD2 ARG A 18 -55.488 40.854 15.597 1.00 31.24 H new ATOM 0 HD3 ARG A 18 -54.761 42.445 15.491 1.00 31.24 H new ATOM 0 HE ARG A 18 -52.828 41.233 14.256 1.00 44.22 H new ATOM 0 HH11 ARG A 18 -56.210 40.109 14.078 1.00 1.21 H new ATOM 0 HH12 ARG A 18 -55.973 39.356 12.498 1.00 1.21 H new ATOM 0 HH21 ARG A 18 -52.581 40.271 12.251 1.00 53.32 H new ATOM 0 HH22 ARG A 18 -53.939 39.449 11.476 1.00 53.32 H new ATOM 238 N GLY A 19 -48.987 41.000 18.182 1.00 3.21 N ATOM 239 CA GLY A 19 -47.555 41.235 17.984 1.00 43.12 C ATOM 240 C GLY A 19 -46.881 40.044 17.331 1.00 74.21 C ATOM 241 O GLY A 19 -46.003 39.405 17.926 1.00 22.21 O ATOM 0 H GLY A 19 -49.194 40.132 18.677 1.00 3.21 H new ATOM 0 HA2 GLY A 19 -47.413 42.120 17.364 1.00 43.12 H new ATOM 0 HA3 GLY A 19 -47.083 41.440 18.945 1.00 43.12 H new ATOM 245 N ALA A 20 -47.327 39.728 16.106 1.00 22.23 N ATOM 246 CA ALA A 20 -46.770 38.629 15.303 1.00 45.25 C ATOM 247 C ALA A 20 -45.343 38.966 14.820 1.00 41.20 C ATOM 248 O ALA A 20 -45.085 40.090 14.368 1.00 75.20 O ATOM 249 CB ALA A 20 -47.696 38.331 14.114 1.00 53.34 C ATOM 0 H ALA A 20 -48.086 40.228 15.643 1.00 22.23 H new ATOM 0 HA ALA A 20 -46.704 37.738 15.927 1.00 45.25 H new ATOM 0 HB1 ALA A 20 -47.278 37.516 13.523 1.00 53.34 H new ATOM 0 HB2 ALA A 20 -48.681 38.044 14.483 1.00 53.34 H new ATOM 0 HB3 ALA A 20 -47.787 39.221 13.492 1.00 53.34 H new ATOM 255 N SER A 21 -44.429 37.987 14.908 1.00 11.33 N ATOM 256 CA SER A 21 -43.013 38.162 14.533 1.00 31.42 C ATOM 257 C SER A 21 -42.605 37.138 13.464 1.00 24.45 C ATOM 258 O SER A 21 -43.294 36.128 13.266 1.00 33.11 O ATOM 259 CB SER A 21 -42.126 38.024 15.791 1.00 12.23 C ATOM 260 OG SER A 21 -42.241 36.736 16.385 1.00 43.52 O ATOM 0 H SER A 21 -44.650 37.049 15.242 1.00 11.33 H new ATOM 0 HA SER A 21 -42.876 39.157 14.110 1.00 31.42 H new ATOM 0 HB2 SER A 21 -41.086 38.208 15.523 1.00 12.23 H new ATOM 0 HB3 SER A 21 -42.407 38.785 16.519 1.00 12.23 H new ATOM 0 HG SER A 21 -41.664 36.688 17.176 1.00 43.52 H new ATOM 266 N GLN A 22 -41.486 37.408 12.771 1.00 72.41 N ATOM 267 CA GLN A 22 -40.907 36.495 11.769 1.00 75.44 C ATOM 268 C GLN A 22 -39.426 36.245 12.098 1.00 5.04 C ATOM 269 O GLN A 22 -38.552 37.027 11.706 1.00 45.32 O ATOM 270 CB GLN A 22 -41.089 37.066 10.322 1.00 41.12 C ATOM 271 CG GLN A 22 -42.553 37.116 9.811 1.00 42.15 C ATOM 272 CD GLN A 22 -43.143 35.732 9.506 1.00 73.51 C ATOM 273 OE1 GLN A 22 -43.047 35.231 8.380 1.00 73.21 O ATOM 274 NE2 GLN A 22 -43.756 35.107 10.498 1.00 24.43 N ATOM 0 H GLN A 22 -40.954 38.270 12.890 1.00 72.41 H new ATOM 0 HA GLN A 22 -41.434 35.542 11.804 1.00 75.44 H new ATOM 0 HB2 GLN A 22 -40.676 38.074 10.292 1.00 41.12 H new ATOM 0 HB3 GLN A 22 -40.501 36.460 9.633 1.00 41.12 H new ATOM 0 HG2 GLN A 22 -43.174 37.610 10.559 1.00 42.15 H new ATOM 0 HG3 GLN A 22 -42.594 37.726 8.909 1.00 42.15 H new ATOM 0 HE21 GLN A 22 -43.819 35.547 11.416 1.00 24.43 H new ATOM 0 HE22 GLN A 22 -44.166 34.186 10.345 1.00 24.43 H new ATOM 283 N LYS A 23 -39.153 35.186 12.884 1.00 23.04 N ATOM 284 CA LYS A 23 -37.777 34.747 13.181 1.00 21.23 C ATOM 285 C LYS A 23 -37.367 33.651 12.173 1.00 2.02 C ATOM 286 O LYS A 23 -38.091 32.663 11.983 1.00 20.21 O ATOM 287 CB LYS A 23 -37.665 34.230 14.652 1.00 63.45 C ATOM 288 CG LYS A 23 -38.612 33.056 14.997 1.00 54.12 C ATOM 289 CD LYS A 23 -38.346 32.413 16.379 1.00 40.35 C ATOM 290 CE LYS A 23 -39.223 31.166 16.623 1.00 45.41 C ATOM 291 NZ LYS A 23 -38.908 30.492 17.915 1.00 52.44 N ATOM 0 H LYS A 23 -39.873 34.616 13.327 1.00 23.04 H new ATOM 0 HA LYS A 23 -37.098 35.594 13.082 1.00 21.23 H new ATOM 0 HB2 LYS A 23 -36.637 33.916 14.836 1.00 63.45 H new ATOM 0 HB3 LYS A 23 -37.872 35.058 15.331 1.00 63.45 H new ATOM 0 HG2 LYS A 23 -39.641 33.413 14.967 1.00 54.12 H new ATOM 0 HG3 LYS A 23 -38.518 32.290 14.228 1.00 54.12 H new ATOM 0 HD2 LYS A 23 -37.295 32.135 16.452 1.00 40.35 H new ATOM 0 HD3 LYS A 23 -38.536 33.147 17.162 1.00 40.35 H new ATOM 0 HE2 LYS A 23 -40.273 31.457 16.615 1.00 45.41 H new ATOM 0 HE3 LYS A 23 -39.082 30.460 15.804 1.00 45.41 H new ATOM 0 HZ1 LYS A 23 -39.523 29.661 18.032 1.00 52.44 H new ATOM 0 HZ2 LYS A 23 -37.913 30.189 17.915 1.00 52.44 H new ATOM 0 HZ3 LYS A 23 -39.068 31.155 18.700 1.00 52.44 H new ATOM 305 N LYS A 24 -36.228 33.848 11.493 1.00 45.31 N ATOM 306 CA LYS A 24 -35.688 32.868 10.529 1.00 4.23 C ATOM 307 C LYS A 24 -34.557 32.061 11.179 1.00 54.12 C ATOM 308 O LYS A 24 -33.813 32.594 12.012 1.00 24.44 O ATOM 309 CB LYS A 24 -35.192 33.576 9.243 1.00 32.13 C ATOM 310 CG LYS A 24 -36.313 34.301 8.467 1.00 43.54 C ATOM 311 CD LYS A 24 -35.829 34.893 7.123 1.00 20.01 C ATOM 312 CE LYS A 24 -36.972 35.538 6.310 1.00 24.10 C ATOM 313 NZ LYS A 24 -36.516 35.984 4.959 1.00 62.43 N ATOM 0 H LYS A 24 -35.655 34.686 11.592 1.00 45.31 H new ATOM 0 HA LYS A 24 -36.486 32.182 10.245 1.00 4.23 H new ATOM 0 HB2 LYS A 24 -34.420 34.298 9.510 1.00 32.13 H new ATOM 0 HB3 LYS A 24 -34.726 32.839 8.589 1.00 32.13 H new ATOM 0 HG2 LYS A 24 -37.128 33.602 8.278 1.00 43.54 H new ATOM 0 HG3 LYS A 24 -36.717 35.102 9.086 1.00 43.54 H new ATOM 0 HD2 LYS A 24 -35.059 35.640 7.316 1.00 20.01 H new ATOM 0 HD3 LYS A 24 -35.366 34.105 6.529 1.00 20.01 H new ATOM 0 HE2 LYS A 24 -37.787 34.822 6.200 1.00 24.10 H new ATOM 0 HE3 LYS A 24 -37.370 36.392 6.858 1.00 24.10 H new ATOM 0 HZ1 LYS A 24 -37.314 36.411 4.447 1.00 62.43 H new ATOM 0 HZ2 LYS A 24 -35.756 36.686 5.063 1.00 62.43 H new ATOM 0 HZ3 LYS A 24 -36.160 35.166 4.425 1.00 62.43 H new ATOM 327 N GLY A 25 -34.453 30.777 10.787 1.00 43.11 N ATOM 328 CA GLY A 25 -33.421 29.878 11.301 1.00 43.11 C ATOM 329 C GLY A 25 -32.033 30.248 10.793 1.00 62.10 C ATOM 330 O GLY A 25 -31.226 30.817 11.543 1.00 62.55 O ATOM 0 H GLY A 25 -35.080 30.343 10.110 1.00 43.11 H new ATOM 0 HA2 GLY A 25 -33.427 29.906 12.391 1.00 43.11 H new ATOM 0 HA3 GLY A 25 -33.653 28.854 11.007 1.00 43.11 H new ATOM 334 N GLY A 26 -31.775 29.949 9.498 1.00 14.31 N ATOM 335 CA GLY A 26 -30.468 30.203 8.872 1.00 53.41 C ATOM 336 C GLY A 26 -29.349 29.445 9.574 1.00 44.24 C ATOM 337 O GLY A 26 -28.319 30.026 9.938 1.00 73.30 O ATOM 0 H GLY A 26 -32.461 29.531 8.870 1.00 14.31 H new ATOM 0 HA2 GLY A 26 -30.504 29.909 7.823 1.00 53.41 H new ATOM 0 HA3 GLY A 26 -30.255 31.272 8.897 1.00 53.41 H new ATOM 341 N GLU A 27 -29.584 28.138 9.790 1.00 30.03 N ATOM 342 CA GLU A 27 -28.746 27.272 10.638 1.00 32.42 C ATOM 343 C GLU A 27 -27.856 26.343 9.781 1.00 63.52 C ATOM 344 O GLU A 27 -28.365 25.374 9.192 1.00 45.13 O ATOM 345 CB GLU A 27 -29.667 26.415 11.564 1.00 13.52 C ATOM 346 CG GLU A 27 -30.595 27.224 12.498 1.00 4.33 C ATOM 347 CD GLU A 27 -31.598 26.351 13.282 1.00 12.34 C ATOM 348 OE1 GLU A 27 -31.175 25.611 14.195 1.00 11.32 O ATOM 349 OE2 GLU A 27 -32.816 26.390 12.979 1.00 23.41 O ATOM 0 H GLU A 27 -30.375 27.646 9.373 1.00 30.03 H new ATOM 0 HA GLU A 27 -28.092 27.903 11.241 1.00 32.42 H new ATOM 0 HB2 GLU A 27 -30.282 25.767 10.939 1.00 13.52 H new ATOM 0 HB3 GLU A 27 -29.039 25.766 12.175 1.00 13.52 H new ATOM 0 HG2 GLU A 27 -29.985 27.785 13.205 1.00 4.33 H new ATOM 0 HG3 GLU A 27 -31.147 27.953 11.905 1.00 4.33 H new ATOM 356 N PRO A 28 -26.526 26.639 9.645 1.00 41.11 N ATOM 357 CA PRO A 28 -25.545 25.645 9.173 1.00 41.41 C ATOM 358 C PRO A 28 -25.178 24.671 10.330 1.00 33.21 C ATOM 359 O PRO A 28 -24.866 25.131 11.443 1.00 41.21 O ATOM 360 CB PRO A 28 -24.340 26.515 8.733 1.00 21.31 C ATOM 361 CG PRO A 28 -24.414 27.744 9.587 1.00 24.33 C ATOM 362 CD PRO A 28 -25.890 27.969 9.884 1.00 13.30 C ATOM 0 HA PRO A 28 -25.906 25.012 8.363 1.00 41.41 H new ATOM 0 HB2 PRO A 28 -23.398 25.988 8.882 1.00 21.31 H new ATOM 0 HB3 PRO A 28 -24.401 26.766 7.674 1.00 21.31 H new ATOM 0 HG2 PRO A 28 -23.848 27.612 10.509 1.00 24.33 H new ATOM 0 HG3 PRO A 28 -23.986 28.603 9.070 1.00 24.33 H new ATOM 0 HD2 PRO A 28 -26.042 28.303 10.910 1.00 13.30 H new ATOM 0 HD3 PRO A 28 -26.314 28.734 9.234 1.00 13.30 H new ATOM 370 N PRO A 29 -25.282 23.318 10.127 1.00 22.13 N ATOM 371 CA PRO A 29 -24.840 22.317 11.142 1.00 4.02 C ATOM 372 C PRO A 29 -23.339 22.426 11.483 1.00 12.51 C ATOM 373 O PRO A 29 -22.573 23.067 10.750 1.00 53.33 O ATOM 374 CB PRO A 29 -25.176 20.956 10.476 1.00 63.23 C ATOM 375 CG PRO A 29 -26.235 21.284 9.467 1.00 22.43 C ATOM 376 CD PRO A 29 -25.873 22.651 8.938 1.00 11.44 C ATOM 0 HA PRO A 29 -25.337 22.463 12.101 1.00 4.02 H new ATOM 0 HB2 PRO A 29 -24.298 20.518 10.002 1.00 63.23 H new ATOM 0 HB3 PRO A 29 -25.536 20.234 11.209 1.00 63.23 H new ATOM 0 HG2 PRO A 29 -26.257 20.545 8.666 1.00 22.43 H new ATOM 0 HG3 PRO A 29 -27.225 21.288 9.923 1.00 22.43 H new ATOM 0 HD2 PRO A 29 -25.163 22.591 8.113 1.00 11.44 H new ATOM 0 HD3 PRO A 29 -26.747 23.186 8.567 1.00 11.44 H new ATOM 384 N ALA A 30 -22.934 21.791 12.598 1.00 1.24 N ATOM 385 CA ALA A 30 -21.535 21.806 13.084 1.00 63.23 C ATOM 386 C ALA A 30 -20.549 21.171 12.067 1.00 22.12 C ATOM 387 O ALA A 30 -20.965 20.580 11.065 1.00 52.15 O ATOM 388 CB ALA A 30 -21.451 21.096 14.443 1.00 74.41 C ATOM 0 H ALA A 30 -23.565 21.252 13.190 1.00 1.24 H new ATOM 0 HA ALA A 30 -21.234 22.847 13.200 1.00 63.23 H new ATOM 0 HB1 ALA A 30 -20.420 21.109 14.797 1.00 74.41 H new ATOM 0 HB2 ALA A 30 -22.088 21.610 15.162 1.00 74.41 H new ATOM 0 HB3 ALA A 30 -21.785 20.064 14.336 1.00 74.41 H new ATOM 394 N LEU A 31 -19.237 21.289 12.352 1.00 14.14 N ATOM 395 CA LEU A 31 -18.165 20.737 11.487 1.00 64.54 C ATOM 396 C LEU A 31 -18.112 19.187 11.571 1.00 5.13 C ATOM 397 O LEU A 31 -19.063 18.556 12.056 1.00 42.52 O ATOM 398 CB LEU A 31 -16.798 21.384 11.858 1.00 44.22 C ATOM 399 CG LEU A 31 -16.712 22.940 11.707 1.00 74.35 C ATOM 400 CD1 LEU A 31 -15.304 23.456 12.064 1.00 64.40 C ATOM 401 CD2 LEU A 31 -17.137 23.412 10.297 1.00 35.21 C ATOM 0 H LEU A 31 -18.888 21.766 13.183 1.00 14.14 H new ATOM 0 HA LEU A 31 -18.390 20.986 10.450 1.00 64.54 H new ATOM 0 HB2 LEU A 31 -16.565 21.126 12.891 1.00 44.22 H new ATOM 0 HB3 LEU A 31 -16.025 20.935 11.235 1.00 44.22 H new ATOM 0 HG LEU A 31 -17.420 23.369 12.415 1.00 74.35 H new ATOM 0 HD11 LEU A 31 -15.274 24.540 11.950 1.00 64.40 H new ATOM 0 HD12 LEU A 31 -15.071 23.193 13.096 1.00 64.40 H new ATOM 0 HD13 LEU A 31 -14.570 23.001 11.399 1.00 64.40 H new ATOM 0 HD21 LEU A 31 -17.061 24.498 10.239 1.00 35.21 H new ATOM 0 HD22 LEU A 31 -16.483 22.962 9.550 1.00 35.21 H new ATOM 0 HD23 LEU A 31 -18.167 23.109 10.107 1.00 35.21 H new ATOM 413 N ILE A 32 -16.997 18.587 11.078 1.00 31.44 N ATOM 414 CA ILE A 32 -16.830 17.112 10.930 1.00 53.13 C ATOM 415 C ILE A 32 -17.825 16.596 9.840 1.00 73.43 C ATOM 416 O ILE A 32 -18.286 15.449 9.849 1.00 21.43 O ATOM 417 CB ILE A 32 -16.963 16.334 12.329 1.00 73.33 C ATOM 418 CG1 ILE A 32 -16.101 17.038 13.436 1.00 74.23 C ATOM 419 CG2 ILE A 32 -16.552 14.839 12.216 1.00 32.41 C ATOM 420 CD1 ILE A 32 -16.259 16.482 14.848 1.00 33.21 C ATOM 0 H ILE A 32 -16.181 19.115 10.769 1.00 31.44 H new ATOM 0 HA ILE A 32 -15.814 16.899 10.596 1.00 53.13 H new ATOM 0 HB ILE A 32 -18.016 16.368 12.609 1.00 73.33 H new ATOM 0 HG12 ILE A 32 -15.051 16.968 13.153 1.00 74.23 H new ATOM 0 HG13 ILE A 32 -16.357 18.097 13.451 1.00 74.23 H new ATOM 0 HG21 ILE A 32 -16.660 14.358 13.188 1.00 32.41 H new ATOM 0 HG22 ILE A 32 -17.194 14.339 11.490 1.00 32.41 H new ATOM 0 HG23 ILE A 32 -15.514 14.771 11.890 1.00 32.41 H new ATOM 0 HD11 ILE A 32 -15.620 17.040 15.532 1.00 33.21 H new ATOM 0 HD12 ILE A 32 -17.298 16.578 15.163 1.00 33.21 H new ATOM 0 HD13 ILE A 32 -15.972 15.431 14.859 1.00 33.21 H new ATOM 432 N VAL A 33 -18.131 17.489 8.876 1.00 32.01 N ATOM 433 CA VAL A 33 -18.998 17.192 7.717 1.00 64.24 C ATOM 434 C VAL A 33 -18.126 16.715 6.538 1.00 12.30 C ATOM 435 O VAL A 33 -18.077 17.335 5.464 1.00 41.21 O ATOM 436 CB VAL A 33 -19.912 18.432 7.320 1.00 23.13 C ATOM 437 CG1 VAL A 33 -21.066 18.615 8.325 1.00 74.41 C ATOM 438 CG2 VAL A 33 -19.100 19.750 7.203 1.00 21.23 C ATOM 0 H VAL A 33 -17.779 18.446 8.881 1.00 32.01 H new ATOM 0 HA VAL A 33 -19.686 16.392 7.991 1.00 64.24 H new ATOM 0 HB VAL A 33 -20.327 18.208 6.337 1.00 23.13 H new ATOM 0 HG11 VAL A 33 -21.674 19.470 8.029 1.00 74.41 H new ATOM 0 HG12 VAL A 33 -21.684 17.717 8.337 1.00 74.41 H new ATOM 0 HG13 VAL A 33 -20.657 18.788 9.321 1.00 74.41 H new ATOM 0 HG21 VAL A 33 -19.769 20.566 6.930 1.00 21.23 H new ATOM 0 HG22 VAL A 33 -18.627 19.972 8.160 1.00 21.23 H new ATOM 0 HG23 VAL A 33 -18.333 19.638 6.437 1.00 21.23 H new ATOM 448 N ASP A 34 -17.427 15.586 6.766 1.00 43.12 N ATOM 449 CA ASP A 34 -16.436 15.033 5.828 1.00 50.34 C ATOM 450 C ASP A 34 -16.767 13.553 5.518 1.00 23.21 C ATOM 451 O ASP A 34 -16.277 12.655 6.211 1.00 4.21 O ATOM 452 CB ASP A 34 -14.999 15.163 6.423 1.00 63.02 C ATOM 453 CG ASP A 34 -14.540 16.623 6.624 1.00 61.30 C ATOM 454 OD1 ASP A 34 -14.829 17.215 7.691 1.00 2.12 O ATOM 455 OD2 ASP A 34 -13.877 17.185 5.721 1.00 51.21 O ATOM 0 H ASP A 34 -17.537 15.029 7.614 1.00 43.12 H new ATOM 0 HA ASP A 34 -16.474 15.599 4.897 1.00 50.34 H new ATOM 0 HB2 ASP A 34 -14.964 14.645 7.382 1.00 63.02 H new ATOM 0 HB3 ASP A 34 -14.295 14.658 5.762 1.00 63.02 H new ATOM 460 N PRO A 35 -17.653 13.279 4.512 1.00 5.04 N ATOM 461 CA PRO A 35 -17.956 11.896 4.071 1.00 12.11 C ATOM 462 C PRO A 35 -16.949 11.370 3.011 1.00 62.43 C ATOM 463 O PRO A 35 -16.731 10.160 2.894 1.00 62.13 O ATOM 464 CB PRO A 35 -19.377 12.053 3.490 1.00 53.04 C ATOM 465 CG PRO A 35 -19.401 13.438 2.896 1.00 24.22 C ATOM 466 CD PRO A 35 -18.473 14.283 3.755 1.00 11.41 C ATOM 0 HA PRO A 35 -17.884 11.162 4.874 1.00 12.11 H new ATOM 0 HB2 PRO A 35 -19.581 11.295 2.734 1.00 53.04 H new ATOM 0 HB3 PRO A 35 -20.135 11.942 4.265 1.00 53.04 H new ATOM 0 HG2 PRO A 35 -19.066 13.423 1.859 1.00 24.22 H new ATOM 0 HG3 PRO A 35 -20.412 13.845 2.898 1.00 24.22 H new ATOM 0 HD2 PRO A 35 -17.844 14.930 3.144 1.00 11.41 H new ATOM 0 HD3 PRO A 35 -19.034 14.929 4.430 1.00 11.41 H new ATOM 474 N LEU A 36 -16.325 12.308 2.271 1.00 54.41 N ATOM 475 CA LEU A 36 -15.424 12.003 1.139 1.00 63.44 C ATOM 476 C LEU A 36 -13.950 11.930 1.606 1.00 15.32 C ATOM 477 O LEU A 36 -13.085 11.419 0.888 1.00 14.23 O ATOM 478 CB LEU A 36 -15.615 13.080 0.028 1.00 71.14 C ATOM 479 CG LEU A 36 -14.879 12.826 -1.323 1.00 24.34 C ATOM 480 CD1 LEU A 36 -15.317 11.486 -1.944 1.00 22.24 C ATOM 481 CD2 LEU A 36 -15.098 13.997 -2.309 1.00 32.32 C ATOM 0 H LEU A 36 -16.432 13.308 2.443 1.00 54.41 H new ATOM 0 HA LEU A 36 -15.678 11.025 0.731 1.00 63.44 H new ATOM 0 HB2 LEU A 36 -16.682 13.173 -0.177 1.00 71.14 H new ATOM 0 HB3 LEU A 36 -15.282 14.040 0.423 1.00 71.14 H new ATOM 0 HG LEU A 36 -13.811 12.766 -1.116 1.00 24.34 H new ATOM 0 HD11 LEU A 36 -14.790 11.332 -2.885 1.00 22.24 H new ATOM 0 HD12 LEU A 36 -15.081 10.673 -1.258 1.00 22.24 H new ATOM 0 HD13 LEU A 36 -16.391 11.504 -2.128 1.00 22.24 H new ATOM 0 HD21 LEU A 36 -14.573 13.791 -3.241 1.00 32.32 H new ATOM 0 HD22 LEU A 36 -16.163 14.109 -2.510 1.00 32.32 H new ATOM 0 HD23 LEU A 36 -14.712 14.918 -1.872 1.00 32.32 H new ATOM 493 N MET A 37 -13.693 12.409 2.837 1.00 33.13 N ATOM 494 CA MET A 37 -12.349 12.375 3.456 1.00 2.41 C ATOM 495 C MET A 37 -12.019 10.957 4.015 1.00 21.30 C ATOM 496 O MET A 37 -10.945 10.727 4.581 1.00 3.30 O ATOM 497 CB MET A 37 -12.258 13.476 4.556 1.00 10.20 C ATOM 498 CG MET A 37 -10.871 13.712 5.211 1.00 70.20 C ATOM 499 SD MET A 37 -9.577 14.291 4.074 1.00 22.53 S ATOM 500 CE MET A 37 -8.824 12.772 3.479 1.00 74.32 C ATOM 0 H MET A 37 -14.407 12.830 3.432 1.00 33.13 H new ATOM 0 HA MET A 37 -11.598 12.587 2.695 1.00 2.41 H new ATOM 0 HB2 MET A 37 -12.590 14.418 4.119 1.00 10.20 H new ATOM 0 HB3 MET A 37 -12.966 13.224 5.346 1.00 10.20 H new ATOM 0 HG2 MET A 37 -10.983 14.442 6.013 1.00 70.20 H new ATOM 0 HG3 MET A 37 -10.540 12.781 5.672 1.00 70.20 H new ATOM 0 HE1 MET A 37 -7.795 12.969 3.179 1.00 74.32 H new ATOM 0 HE2 MET A 37 -8.834 12.026 4.273 1.00 74.32 H new ATOM 0 HE3 MET A 37 -9.386 12.398 2.623 1.00 74.32 H new ATOM 510 N LYS A 38 -12.960 9.998 3.857 1.00 65.24 N ATOM 511 CA LYS A 38 -12.718 8.579 4.187 1.00 42.21 C ATOM 512 C LYS A 38 -11.620 8.014 3.266 1.00 53.51 C ATOM 513 O LYS A 38 -11.677 8.204 2.047 1.00 53.44 O ATOM 514 CB LYS A 38 -14.032 7.762 4.073 1.00 4.23 C ATOM 515 CG LYS A 38 -13.912 6.279 4.500 1.00 5.31 C ATOM 516 CD LYS A 38 -15.287 5.576 4.570 1.00 53.13 C ATOM 517 CE LYS A 38 -15.168 4.086 4.906 1.00 73.22 C ATOM 518 NZ LYS A 38 -14.409 3.328 3.867 1.00 14.45 N ATOM 0 H LYS A 38 -13.897 10.185 3.501 1.00 65.24 H new ATOM 0 HA LYS A 38 -12.374 8.501 5.219 1.00 42.21 H new ATOM 0 HB2 LYS A 38 -14.796 8.241 4.685 1.00 4.23 H new ATOM 0 HB3 LYS A 38 -14.380 7.802 3.041 1.00 4.23 H new ATOM 0 HG2 LYS A 38 -13.272 5.750 3.794 1.00 5.31 H new ATOM 0 HG3 LYS A 38 -13.427 6.222 5.475 1.00 5.31 H new ATOM 0 HD2 LYS A 38 -15.904 6.067 5.323 1.00 53.13 H new ATOM 0 HD3 LYS A 38 -15.799 5.690 3.614 1.00 53.13 H new ATOM 0 HE2 LYS A 38 -14.672 3.972 5.870 1.00 73.22 H new ATOM 0 HE3 LYS A 38 -16.165 3.658 5.008 1.00 73.22 H new ATOM 0 HZ1 LYS A 38 -14.594 2.310 3.975 1.00 14.45 H new ATOM 0 HZ2 LYS A 38 -14.712 3.637 2.921 1.00 14.45 H new ATOM 0 HZ3 LYS A 38 -13.391 3.509 3.980 1.00 14.45 H new ATOM 532 N TYR A 39 -10.628 7.342 3.878 1.00 1.03 N ATOM 533 CA TYR A 39 -9.370 6.961 3.219 1.00 13.11 C ATOM 534 C TYR A 39 -9.584 6.067 1.980 1.00 3.43 C ATOM 535 O TYR A 39 -9.945 4.893 2.090 1.00 43.23 O ATOM 536 CB TYR A 39 -8.408 6.308 4.242 1.00 21.33 C ATOM 537 CG TYR A 39 -7.817 7.313 5.242 1.00 55.34 C ATOM 538 CD1 TYR A 39 -8.542 7.746 6.355 1.00 14.22 C ATOM 539 CD2 TYR A 39 -6.532 7.838 5.064 1.00 24.43 C ATOM 540 CE1 TYR A 39 -8.014 8.662 7.245 1.00 35.12 C ATOM 541 CE2 TYR A 39 -6.002 8.751 5.953 1.00 1.23 C ATOM 542 CZ TYR A 39 -6.744 9.160 7.041 1.00 62.40 C ATOM 543 OH TYR A 39 -6.214 10.083 7.919 1.00 14.23 O ATOM 0 H TYR A 39 -10.680 7.046 4.853 1.00 1.03 H new ATOM 0 HA TYR A 39 -8.910 7.875 2.843 1.00 13.11 H new ATOM 0 HB2 TYR A 39 -8.942 5.532 4.790 1.00 21.33 H new ATOM 0 HB3 TYR A 39 -7.595 5.818 3.706 1.00 21.33 H new ATOM 0 HD1 TYR A 39 -9.535 7.357 6.523 1.00 14.22 H new ATOM 0 HD2 TYR A 39 -5.944 7.523 4.215 1.00 24.43 H new ATOM 0 HE1 TYR A 39 -8.593 8.987 8.097 1.00 35.12 H new ATOM 0 HE2 TYR A 39 -5.008 9.144 5.797 1.00 1.23 H new ATOM 0 HH TYR A 39 -5.311 10.329 7.630 1.00 14.23 H new ATOM 553 N ILE A 40 -9.419 6.692 0.804 1.00 60.41 N ATOM 554 CA ILE A 40 -9.466 6.028 -0.514 1.00 32.21 C ATOM 555 C ILE A 40 -8.039 5.621 -0.943 1.00 35.21 C ATOM 556 O ILE A 40 -7.071 6.292 -0.579 1.00 74.31 O ATOM 557 CB ILE A 40 -10.103 7.007 -1.580 1.00 4.34 C ATOM 558 CG1 ILE A 40 -11.583 7.327 -1.222 1.00 34.25 C ATOM 559 CG2 ILE A 40 -9.996 6.467 -3.027 1.00 20.45 C ATOM 560 CD1 ILE A 40 -12.527 6.126 -1.226 1.00 14.42 C ATOM 0 H ILE A 40 -9.245 7.695 0.738 1.00 60.41 H new ATOM 0 HA ILE A 40 -10.082 5.131 -0.448 1.00 32.21 H new ATOM 0 HB ILE A 40 -9.523 7.929 -1.543 1.00 4.34 H new ATOM 0 HG12 ILE A 40 -11.610 7.787 -0.234 1.00 34.25 H new ATOM 0 HG13 ILE A 40 -11.959 8.067 -1.928 1.00 34.25 H new ATOM 0 HG21 ILE A 40 -10.449 7.180 -3.716 1.00 20.45 H new ATOM 0 HG22 ILE A 40 -8.947 6.328 -3.287 1.00 20.45 H new ATOM 0 HG23 ILE A 40 -10.517 5.512 -3.098 1.00 20.45 H new ATOM 0 HD11 ILE A 40 -13.533 6.453 -0.964 1.00 14.42 H new ATOM 0 HD12 ILE A 40 -12.538 5.676 -2.218 1.00 14.42 H new ATOM 0 HD13 ILE A 40 -12.184 5.391 -0.498 1.00 14.42 H new ATOM 572 N CYS A 41 -7.905 4.511 -1.700 1.00 31.05 N ATOM 573 CA CYS A 41 -6.648 4.149 -2.362 1.00 51.12 C ATOM 574 C CYS A 41 -6.454 5.097 -3.555 1.00 14.32 C ATOM 575 O CYS A 41 -7.210 5.020 -4.534 1.00 51.31 O ATOM 576 CB CYS A 41 -6.703 2.679 -2.810 1.00 42.52 C ATOM 577 SG CYS A 41 -5.316 2.137 -3.852 1.00 73.23 S ATOM 0 H CYS A 41 -8.664 3.849 -1.864 1.00 31.05 H new ATOM 0 HA CYS A 41 -5.802 4.250 -1.682 1.00 51.12 H new ATOM 0 HB2 CYS A 41 -6.740 2.046 -1.923 1.00 42.52 H new ATOM 0 HB3 CYS A 41 -7.632 2.516 -3.356 1.00 42.52 H new ATOM 582 N HIS A 42 -5.474 6.002 -3.421 1.00 41.42 N ATOM 583 CA HIS A 42 -5.253 7.123 -4.349 1.00 1.43 C ATOM 584 C HIS A 42 -5.117 6.628 -5.809 1.00 40.40 C ATOM 585 O HIS A 42 -5.794 7.130 -6.715 1.00 63.42 O ATOM 586 CB HIS A 42 -3.995 7.923 -3.913 1.00 54.32 C ATOM 587 CG HIS A 42 -3.988 9.366 -4.339 1.00 22.42 C ATOM 588 ND1 HIS A 42 -3.698 10.390 -3.473 1.00 24.55 N ATOM 589 CD2 HIS A 42 -4.244 9.949 -5.533 1.00 22.41 C ATOM 590 CE1 HIS A 42 -3.784 11.538 -4.105 1.00 12.40 C ATOM 591 NE2 HIS A 42 -4.114 11.299 -5.358 1.00 54.10 N ATOM 0 H HIS A 42 -4.802 5.976 -2.654 1.00 41.42 H new ATOM 0 HA HIS A 42 -6.121 7.781 -4.312 1.00 1.43 H new ATOM 0 HB2 HIS A 42 -3.911 7.879 -2.827 1.00 54.32 H new ATOM 0 HB3 HIS A 42 -3.111 7.434 -4.321 1.00 54.32 H new ATOM 0 HD2 HIS A 42 -4.502 9.443 -6.452 1.00 22.41 H new ATOM 0 HE1 HIS A 42 -3.613 12.512 -3.671 1.00 12.40 H new ATOM 0 HE2 HIS A 42 -4.250 12.006 -6.080 1.00 54.10 H new ATOM 600 N ILE A 43 -4.255 5.612 -5.985 1.00 52.44 N ATOM 601 CA ILE A 43 -3.983 4.960 -7.285 1.00 12.43 C ATOM 602 C ILE A 43 -5.270 4.359 -7.935 1.00 53.12 C ATOM 603 O ILE A 43 -5.424 4.389 -9.163 1.00 52.31 O ATOM 604 CB ILE A 43 -2.879 3.839 -7.113 1.00 74.10 C ATOM 605 CG1 ILE A 43 -1.553 4.465 -6.560 1.00 64.20 C ATOM 606 CG2 ILE A 43 -2.620 3.062 -8.428 1.00 2.30 C ATOM 607 CD1 ILE A 43 -0.400 3.484 -6.343 1.00 43.43 C ATOM 0 H ILE A 43 -3.717 5.211 -5.217 1.00 52.44 H new ATOM 0 HA ILE A 43 -3.616 5.732 -7.961 1.00 12.43 H new ATOM 0 HB ILE A 43 -3.256 3.115 -6.391 1.00 74.10 H new ATOM 0 HG12 ILE A 43 -1.222 5.240 -7.252 1.00 64.20 H new ATOM 0 HG13 ILE A 43 -1.772 4.956 -5.612 1.00 64.20 H new ATOM 0 HG21 ILE A 43 -1.855 2.304 -8.258 1.00 2.30 H new ATOM 0 HG22 ILE A 43 -3.542 2.580 -8.754 1.00 2.30 H new ATOM 0 HG23 ILE A 43 -2.281 3.754 -9.199 1.00 2.30 H new ATOM 0 HD11 ILE A 43 0.467 4.021 -5.959 1.00 43.43 H new ATOM 0 HD12 ILE A 43 -0.701 2.721 -5.625 1.00 43.43 H new ATOM 0 HD13 ILE A 43 -0.143 3.009 -7.290 1.00 43.43 H new ATOM 619 N CYS A 44 -6.210 3.840 -7.098 1.00 50.53 N ATOM 620 CA CYS A 44 -7.452 3.196 -7.588 1.00 65.12 C ATOM 621 C CYS A 44 -8.558 4.221 -7.850 1.00 54.41 C ATOM 622 O CYS A 44 -9.382 4.002 -8.748 1.00 33.23 O ATOM 623 CB CYS A 44 -7.965 2.158 -6.574 1.00 64.32 C ATOM 624 SG CYS A 44 -6.893 0.715 -6.447 1.00 12.44 S ATOM 0 H CYS A 44 -6.127 3.857 -6.082 1.00 50.53 H new ATOM 0 HA CYS A 44 -7.202 2.703 -8.527 1.00 65.12 H new ATOM 0 HB2 CYS A 44 -8.053 2.627 -5.594 1.00 64.32 H new ATOM 0 HB3 CYS A 44 -8.965 1.837 -6.864 1.00 64.32 H new ATOM 0 HG CYS A 44 -6.327 0.696 -5.277 1.00 12.44 H new ATOM 629 N ASN A 45 -8.576 5.308 -7.025 1.00 0.23 N ATOM 630 CA ASN A 45 -9.714 6.270 -6.925 1.00 61.02 C ATOM 631 C ASN A 45 -10.984 5.558 -6.342 1.00 32.35 C ATOM 632 O ASN A 45 -12.095 6.100 -6.368 1.00 50.12 O ATOM 633 CB ASN A 45 -9.990 6.957 -8.306 1.00 13.14 C ATOM 634 CG ASN A 45 -10.961 8.136 -8.232 1.00 54.51 C ATOM 635 OD1 ASN A 45 -10.942 8.927 -7.283 1.00 13.12 O ATOM 636 ND2 ASN A 45 -11.829 8.255 -9.230 1.00 1.51 N ATOM 0 H ASN A 45 -7.798 5.542 -6.408 1.00 0.23 H new ATOM 0 HA ASN A 45 -9.444 7.065 -6.230 1.00 61.02 H new ATOM 0 HB2 ASN A 45 -9.045 7.304 -8.723 1.00 13.14 H new ATOM 0 HB3 ASN A 45 -10.389 6.214 -8.996 1.00 13.14 H new ATOM 0 HD21 ASN A 45 -12.507 9.017 -9.228 1.00 1.51 H new ATOM 0 HD22 ASN A 45 -11.818 7.584 -9.999 1.00 1.51 H new ATOM 643 N ARG A 46 -10.781 4.348 -5.756 1.00 43.04 N ATOM 644 CA ARG A 46 -11.836 3.496 -5.171 1.00 21.23 C ATOM 645 C ARG A 46 -11.425 3.056 -3.752 1.00 71.41 C ATOM 646 O ARG A 46 -10.230 2.859 -3.474 1.00 22.30 O ATOM 647 CB ARG A 46 -12.094 2.235 -6.079 1.00 44.42 C ATOM 648 CG ARG A 46 -13.396 2.277 -6.910 1.00 63.34 C ATOM 649 CD ARG A 46 -13.464 3.451 -7.907 1.00 70.43 C ATOM 650 NE ARG A 46 -14.707 3.440 -8.697 1.00 32.10 N ATOM 651 CZ ARG A 46 -15.051 4.360 -9.614 1.00 63.03 C ATOM 652 NH1 ARG A 46 -14.247 5.397 -9.886 1.00 14.44 N ATOM 653 NH2 ARG A 46 -16.204 4.222 -10.266 1.00 34.33 N ATOM 0 H ARG A 46 -9.853 3.933 -5.679 1.00 43.04 H new ATOM 0 HA ARG A 46 -12.760 4.072 -5.112 1.00 21.23 H new ATOM 0 HB2 ARG A 46 -11.251 2.119 -6.760 1.00 44.42 H new ATOM 0 HB3 ARG A 46 -12.115 1.349 -5.445 1.00 44.42 H new ATOM 0 HG2 ARG A 46 -13.495 1.341 -7.459 1.00 63.34 H new ATOM 0 HG3 ARG A 46 -14.247 2.340 -6.231 1.00 63.34 H new ATOM 0 HD2 ARG A 46 -13.390 4.392 -7.362 1.00 70.43 H new ATOM 0 HD3 ARG A 46 -12.608 3.404 -8.580 1.00 70.43 H new ATOM 0 HE ARG A 46 -15.359 2.672 -8.535 1.00 32.10 H new ATOM 0 HH11 ARG A 46 -13.359 5.497 -9.394 1.00 14.44 H new ATOM 0 HH12 ARG A 46 -14.523 6.087 -10.585 1.00 14.44 H new ATOM 0 HH21 ARG A 46 -16.811 3.427 -10.066 1.00 34.33 H new ATOM 0 HH22 ARG A 46 -16.480 4.911 -10.965 1.00 34.33 H new ATOM 667 N GLY A 47 -12.425 2.914 -2.875 1.00 63.21 N ATOM 668 CA GLY A 47 -12.247 2.325 -1.543 1.00 5.21 C ATOM 669 C GLY A 47 -13.081 1.066 -1.375 1.00 53.24 C ATOM 670 O GLY A 47 -13.493 0.732 -0.259 1.00 63.23 O ATOM 0 H GLY A 47 -13.383 3.205 -3.069 1.00 63.21 H new ATOM 0 HA2 GLY A 47 -11.194 2.089 -1.386 1.00 5.21 H new ATOM 0 HA3 GLY A 47 -12.528 3.053 -0.782 1.00 5.21 H new ATOM 674 N ASP A 48 -13.301 0.350 -2.501 1.00 54.40 N ATOM 675 CA ASP A 48 -14.187 -0.835 -2.571 1.00 20.40 C ATOM 676 C ASP A 48 -13.617 -1.981 -1.710 1.00 24.45 C ATOM 677 O ASP A 48 -14.290 -2.503 -0.807 1.00 73.33 O ATOM 678 CB ASP A 48 -14.360 -1.283 -4.054 1.00 50.31 C ATOM 679 CG ASP A 48 -15.285 -2.515 -4.239 1.00 72.01 C ATOM 680 OD1 ASP A 48 -16.519 -2.339 -4.332 1.00 53.32 O ATOM 681 OD2 ASP A 48 -14.776 -3.660 -4.320 1.00 12.34 O ATOM 0 H ASP A 48 -12.865 0.580 -3.394 1.00 54.40 H new ATOM 0 HA ASP A 48 -15.168 -0.571 -2.175 1.00 20.40 H new ATOM 0 HB2 ASP A 48 -14.763 -0.450 -4.630 1.00 50.31 H new ATOM 0 HB3 ASP A 48 -13.379 -1.513 -4.470 1.00 50.31 H new ATOM 686 N VAL A 49 -12.357 -2.351 -1.988 1.00 33.13 N ATOM 687 CA VAL A 49 -11.621 -3.370 -1.217 1.00 11.13 C ATOM 688 C VAL A 49 -10.721 -2.658 -0.175 1.00 52.32 C ATOM 689 O VAL A 49 -9.485 -2.667 -0.264 1.00 3.15 O ATOM 690 CB VAL A 49 -10.786 -4.315 -2.177 1.00 62.50 C ATOM 691 CG1 VAL A 49 -10.135 -5.487 -1.411 1.00 71.13 C ATOM 692 CG2 VAL A 49 -11.655 -4.847 -3.341 1.00 34.43 C ATOM 0 H VAL A 49 -11.817 -1.952 -2.756 1.00 33.13 H new ATOM 0 HA VAL A 49 -12.326 -4.012 -0.688 1.00 11.13 H new ATOM 0 HB VAL A 49 -9.985 -3.706 -2.597 1.00 62.50 H new ATOM 0 HG11 VAL A 49 -9.573 -6.109 -2.107 1.00 71.13 H new ATOM 0 HG12 VAL A 49 -9.461 -5.094 -0.650 1.00 71.13 H new ATOM 0 HG13 VAL A 49 -10.911 -6.086 -0.935 1.00 71.13 H new ATOM 0 HG21 VAL A 49 -11.052 -5.492 -3.980 1.00 34.43 H new ATOM 0 HG22 VAL A 49 -12.493 -5.416 -2.939 1.00 34.43 H new ATOM 0 HG23 VAL A 49 -12.033 -4.008 -3.925 1.00 34.43 H new ATOM 702 N GLU A 50 -11.374 -1.983 0.789 1.00 30.04 N ATOM 703 CA GLU A 50 -10.691 -1.189 1.837 1.00 32.31 C ATOM 704 C GLU A 50 -9.964 -2.085 2.864 1.00 11.23 C ATOM 705 O GLU A 50 -9.101 -1.612 3.605 1.00 14.23 O ATOM 706 CB GLU A 50 -11.689 -0.256 2.568 1.00 33.13 C ATOM 707 CG GLU A 50 -12.776 -0.990 3.382 1.00 51.22 C ATOM 708 CD GLU A 50 -13.518 -0.084 4.371 1.00 34.52 C ATOM 709 OE1 GLU A 50 -12.907 0.313 5.383 1.00 4.32 O ATOM 710 OE2 GLU A 50 -14.697 0.250 4.141 1.00 42.12 O ATOM 0 H GLU A 50 -12.391 -1.970 0.867 1.00 30.04 H new ATOM 0 HA GLU A 50 -9.941 -0.582 1.330 1.00 32.31 H new ATOM 0 HB2 GLU A 50 -11.131 0.398 3.238 1.00 33.13 H new ATOM 0 HB3 GLU A 50 -12.175 0.383 1.831 1.00 33.13 H new ATOM 0 HG2 GLU A 50 -13.498 -1.431 2.694 1.00 51.22 H new ATOM 0 HG3 GLU A 50 -12.315 -1.812 3.930 1.00 51.22 H new ATOM 717 N GLU A 51 -10.355 -3.366 2.930 1.00 71.33 N ATOM 718 CA GLU A 51 -9.692 -4.360 3.802 1.00 24.11 C ATOM 719 C GLU A 51 -8.216 -4.567 3.388 1.00 22.10 C ATOM 720 O GLU A 51 -7.364 -4.894 4.217 1.00 74.32 O ATOM 721 CB GLU A 51 -10.449 -5.714 3.746 1.00 32.12 C ATOM 722 CG GLU A 51 -10.450 -6.405 2.358 1.00 64.44 C ATOM 723 CD GLU A 51 -11.076 -7.810 2.369 1.00 65.33 C ATOM 724 OE1 GLU A 51 -10.431 -8.751 2.874 1.00 34.44 O ATOM 725 OE2 GLU A 51 -12.205 -7.982 1.864 1.00 34.12 O ATOM 0 H GLU A 51 -11.132 -3.745 2.388 1.00 71.33 H new ATOM 0 HA GLU A 51 -9.713 -3.978 4.823 1.00 24.11 H new ATOM 0 HB2 GLU A 51 -10.004 -6.393 4.473 1.00 32.12 H new ATOM 0 HB3 GLU A 51 -11.481 -5.549 4.054 1.00 32.12 H new ATOM 0 HG2 GLU A 51 -10.994 -5.779 1.651 1.00 64.44 H new ATOM 0 HG3 GLU A 51 -9.424 -6.476 1.996 1.00 64.44 H new ATOM 732 N SER A 52 -7.945 -4.363 2.086 1.00 30.11 N ATOM 733 CA SER A 52 -6.633 -4.629 1.482 1.00 4.41 C ATOM 734 C SER A 52 -5.855 -3.325 1.201 1.00 64.13 C ATOM 735 O SER A 52 -4.897 -3.334 0.419 1.00 62.03 O ATOM 736 CB SER A 52 -6.843 -5.464 0.194 1.00 71.33 C ATOM 737 OG SER A 52 -5.635 -6.041 -0.264 1.00 21.34 O ATOM 0 H SER A 52 -8.634 -4.008 1.424 1.00 30.11 H new ATOM 0 HA SER A 52 -6.021 -5.196 2.184 1.00 4.41 H new ATOM 0 HB2 SER A 52 -7.571 -6.252 0.387 1.00 71.33 H new ATOM 0 HB3 SER A 52 -7.260 -4.828 -0.587 1.00 71.33 H new ATOM 0 HG SER A 52 -5.808 -6.561 -1.077 1.00 21.34 H new ATOM 743 N MET A 53 -6.259 -2.195 1.832 1.00 0.22 N ATOM 744 CA MET A 53 -5.454 -0.949 1.785 1.00 23.02 C ATOM 745 C MET A 53 -4.615 -0.827 3.062 1.00 20.44 C ATOM 746 O MET A 53 -5.105 -1.058 4.173 1.00 33.32 O ATOM 747 CB MET A 53 -6.303 0.347 1.563 1.00 41.44 C ATOM 748 CG MET A 53 -7.257 0.755 2.692 1.00 61.41 C ATOM 749 SD MET A 53 -8.094 2.330 2.377 1.00 51.10 S ATOM 750 CE MET A 53 -8.831 2.072 0.756 1.00 12.54 C ATOM 0 H MET A 53 -7.122 -2.120 2.371 1.00 0.22 H new ATOM 0 HA MET A 53 -4.806 -1.031 0.913 1.00 23.02 H new ATOM 0 HB2 MET A 53 -5.617 1.175 1.383 1.00 41.44 H new ATOM 0 HB3 MET A 53 -6.890 0.216 0.654 1.00 41.44 H new ATOM 0 HG2 MET A 53 -8.005 -0.026 2.829 1.00 61.41 H new ATOM 0 HG3 MET A 53 -6.697 0.827 3.625 1.00 61.41 H new ATOM 0 HE1 MET A 53 -9.834 2.498 0.740 1.00 12.54 H new ATOM 0 HE2 MET A 53 -8.219 2.558 -0.004 1.00 12.54 H new ATOM 0 HE3 MET A 53 -8.887 1.004 0.548 1.00 12.54 H new ATOM 760 N LEU A 54 -3.331 -0.508 2.877 1.00 50.13 N ATOM 761 CA LEU A 54 -2.408 -0.192 3.965 1.00 52.13 C ATOM 762 C LEU A 54 -2.182 1.323 3.945 1.00 20.42 C ATOM 763 O LEU A 54 -2.050 1.926 2.871 1.00 30.55 O ATOM 764 CB LEU A 54 -1.053 -0.958 3.825 1.00 34.45 C ATOM 765 CG LEU A 54 -1.082 -2.520 4.015 1.00 33.24 C ATOM 766 CD1 LEU A 54 -1.774 -3.231 2.841 1.00 4.00 C ATOM 767 CD2 LEU A 54 0.342 -3.082 4.231 1.00 20.21 C ATOM 0 H LEU A 54 -2.900 -0.462 1.954 1.00 50.13 H new ATOM 0 HA LEU A 54 -2.838 -0.509 4.915 1.00 52.13 H new ATOM 0 HB2 LEU A 54 -0.647 -0.746 2.836 1.00 34.45 H new ATOM 0 HB3 LEU A 54 -0.355 -0.543 4.552 1.00 34.45 H new ATOM 0 HG LEU A 54 -1.670 -2.720 4.911 1.00 33.24 H new ATOM 0 HD11 LEU A 54 -1.771 -4.307 3.015 1.00 4.00 H new ATOM 0 HD12 LEU A 54 -2.802 -2.880 2.758 1.00 4.00 H new ATOM 0 HD13 LEU A 54 -1.240 -3.011 1.917 1.00 4.00 H new ATOM 0 HD21 LEU A 54 0.291 -4.163 4.359 1.00 20.21 H new ATOM 0 HD22 LEU A 54 0.961 -2.848 3.365 1.00 20.21 H new ATOM 0 HD23 LEU A 54 0.780 -2.631 5.122 1.00 20.21 H new ATOM 779 N LEU A 55 -2.144 1.944 5.119 1.00 64.12 N ATOM 780 CA LEU A 55 -1.975 3.393 5.238 1.00 24.44 C ATOM 781 C LEU A 55 -0.509 3.681 5.603 1.00 11.23 C ATOM 782 O LEU A 55 -0.017 3.172 6.614 1.00 51.03 O ATOM 783 CB LEU A 55 -2.943 3.939 6.320 1.00 24.21 C ATOM 784 CG LEU A 55 -2.853 5.474 6.638 1.00 53.54 C ATOM 785 CD1 LEU A 55 -3.041 6.332 5.373 1.00 71.41 C ATOM 786 CD2 LEU A 55 -3.868 5.874 7.731 1.00 71.23 C ATOM 0 H LEU A 55 -2.229 1.462 6.014 1.00 64.12 H new ATOM 0 HA LEU A 55 -2.211 3.890 4.297 1.00 24.44 H new ATOM 0 HB2 LEU A 55 -3.963 3.716 6.008 1.00 24.21 H new ATOM 0 HB3 LEU A 55 -2.765 3.389 7.244 1.00 24.21 H new ATOM 0 HG LEU A 55 -1.850 5.668 7.017 1.00 53.54 H new ATOM 0 HD11 LEU A 55 -2.972 7.388 5.636 1.00 71.41 H new ATOM 0 HD12 LEU A 55 -2.265 6.087 4.648 1.00 71.41 H new ATOM 0 HD13 LEU A 55 -4.020 6.130 4.938 1.00 71.41 H new ATOM 0 HD21 LEU A 55 -3.784 6.942 7.932 1.00 71.23 H new ATOM 0 HD22 LEU A 55 -4.878 5.647 7.390 1.00 71.23 H new ATOM 0 HD23 LEU A 55 -3.659 5.316 8.644 1.00 71.23 H new ATOM 798 N CYS A 56 0.183 4.462 4.745 1.00 55.13 N ATOM 799 CA CYS A 56 1.593 4.830 4.936 1.00 11.25 C ATOM 800 C CYS A 56 1.779 5.664 6.216 1.00 43.22 C ATOM 801 O CYS A 56 1.234 6.764 6.329 1.00 22.53 O ATOM 802 CB CYS A 56 2.093 5.601 3.704 1.00 63.31 C ATOM 803 SG CYS A 56 3.810 6.203 3.842 1.00 11.20 S ATOM 0 H CYS A 56 -0.228 4.854 3.898 1.00 55.13 H new ATOM 0 HA CYS A 56 2.182 3.920 5.051 1.00 11.25 H new ATOM 0 HB2 CYS A 56 2.016 4.955 2.829 1.00 63.31 H new ATOM 0 HB3 CYS A 56 1.435 6.452 3.531 1.00 63.31 H new ATOM 808 N ASP A 57 2.524 5.105 7.180 1.00 33.52 N ATOM 809 CA ASP A 57 2.882 5.790 8.427 1.00 33.32 C ATOM 810 C ASP A 57 3.868 6.942 8.143 1.00 40.54 C ATOM 811 O ASP A 57 3.903 7.938 8.867 1.00 1.33 O ATOM 812 CB ASP A 57 3.478 4.756 9.416 1.00 45.23 C ATOM 813 CG ASP A 57 3.886 5.358 10.775 1.00 1.31 C ATOM 814 OD1 ASP A 57 3.032 5.427 11.684 1.00 64.20 O ATOM 815 OD2 ASP A 57 5.060 5.769 10.938 1.00 44.24 O ATOM 0 H ASP A 57 2.897 4.158 7.114 1.00 33.52 H new ATOM 0 HA ASP A 57 1.993 6.231 8.878 1.00 33.32 H new ATOM 0 HB2 ASP A 57 2.747 3.965 9.584 1.00 45.23 H new ATOM 0 HB3 ASP A 57 4.351 4.291 8.958 1.00 45.23 H new ATOM 820 N GLY A 58 4.650 6.794 7.053 1.00 41.53 N ATOM 821 CA GLY A 58 5.614 7.810 6.637 1.00 25.10 C ATOM 822 C GLY A 58 5.013 8.998 5.864 1.00 41.43 C ATOM 823 O GLY A 58 5.762 9.883 5.436 1.00 4.43 O ATOM 0 H GLY A 58 4.625 5.973 6.449 1.00 41.53 H new ATOM 0 HA2 GLY A 58 6.122 8.192 7.523 1.00 25.10 H new ATOM 0 HA3 GLY A 58 6.372 7.336 6.014 1.00 25.10 H new ATOM 827 N CYS A 59 3.672 9.009 5.684 1.00 41.33 N ATOM 828 CA CYS A 59 2.930 10.122 5.036 1.00 33.33 C ATOM 829 C CYS A 59 1.434 10.055 5.434 1.00 34.32 C ATOM 830 O CYS A 59 1.107 9.522 6.499 1.00 5.34 O ATOM 831 CB CYS A 59 3.147 10.086 3.495 1.00 44.55 C ATOM 832 SG CYS A 59 2.594 8.575 2.665 1.00 63.45 S ATOM 0 H CYS A 59 3.069 8.243 5.985 1.00 41.33 H new ATOM 0 HA CYS A 59 3.314 11.080 5.385 1.00 33.33 H new ATOM 0 HB2 CYS A 59 2.625 10.935 3.052 1.00 44.55 H new ATOM 0 HB3 CYS A 59 4.209 10.223 3.292 1.00 44.55 H new ATOM 0 HG CYS A 59 3.611 7.789 2.471 1.00 63.45 H new ATOM 837 N ASP A 60 0.534 10.616 4.600 1.00 31.34 N ATOM 838 CA ASP A 60 -0.924 10.675 4.881 1.00 54.52 C ATOM 839 C ASP A 60 -1.713 9.708 3.978 1.00 33.44 C ATOM 840 O ASP A 60 -2.889 9.434 4.236 1.00 24.23 O ATOM 841 CB ASP A 60 -1.451 12.124 4.651 1.00 22.43 C ATOM 842 CG ASP A 60 -0.788 13.175 5.563 1.00 70.31 C ATOM 843 OD1 ASP A 60 0.350 13.599 5.266 1.00 71.45 O ATOM 844 OD2 ASP A 60 -1.408 13.598 6.564 1.00 61.33 O ATOM 0 H ASP A 60 0.793 11.043 3.711 1.00 31.34 H new ATOM 0 HA ASP A 60 -1.071 10.380 5.920 1.00 54.52 H new ATOM 0 HB2 ASP A 60 -1.284 12.401 3.610 1.00 22.43 H new ATOM 0 HB3 ASP A 60 -2.528 12.140 4.816 1.00 22.43 H new ATOM 849 N ASP A 61 -1.057 9.204 2.909 1.00 21.12 N ATOM 850 CA ASP A 61 -1.750 8.570 1.762 1.00 5.54 C ATOM 851 C ASP A 61 -1.991 7.056 1.973 1.00 2.44 C ATOM 852 O ASP A 61 -1.167 6.359 2.580 1.00 71.14 O ATOM 853 CB ASP A 61 -0.948 8.813 0.442 1.00 30.11 C ATOM 854 CG ASP A 61 -1.817 8.851 -0.841 1.00 0.31 C ATOM 855 OD1 ASP A 61 -3.039 8.590 -0.774 1.00 4.55 O ATOM 856 OD2 ASP A 61 -1.275 9.176 -1.922 1.00 51.32 O ATOM 0 H ASP A 61 -0.041 9.224 2.816 1.00 21.12 H new ATOM 0 HA ASP A 61 -2.730 9.040 1.684 1.00 5.54 H new ATOM 0 HB2 ASP A 61 -0.409 9.756 0.528 1.00 30.11 H new ATOM 0 HB3 ASP A 61 -0.201 8.027 0.336 1.00 30.11 H new ATOM 861 N SER A 62 -3.132 6.572 1.445 1.00 11.14 N ATOM 862 CA SER A 62 -3.545 5.160 1.508 1.00 61.43 C ATOM 863 C SER A 62 -3.274 4.470 0.152 1.00 31.35 C ATOM 864 O SER A 62 -3.617 5.013 -0.912 1.00 54.51 O ATOM 865 CB SER A 62 -5.045 5.071 1.869 1.00 12.53 C ATOM 866 OG SER A 62 -5.522 3.734 1.824 1.00 72.41 O ATOM 0 H SER A 62 -3.803 7.163 0.955 1.00 11.14 H new ATOM 0 HA SER A 62 -2.967 4.650 2.279 1.00 61.43 H new ATOM 0 HB2 SER A 62 -5.203 5.479 2.867 1.00 12.53 H new ATOM 0 HB3 SER A 62 -5.622 5.686 1.178 1.00 12.53 H new ATOM 0 HG SER A 62 -6.413 3.691 2.230 1.00 72.41 H new ATOM 872 N TYR A 63 -2.654 3.279 0.197 1.00 10.21 N ATOM 873 CA TYR A 63 -2.339 2.473 -0.996 1.00 74.14 C ATOM 874 C TYR A 63 -2.775 1.018 -0.758 1.00 21.12 C ATOM 875 O TYR A 63 -2.455 0.456 0.291 1.00 15.15 O ATOM 876 CB TYR A 63 -0.811 2.508 -1.283 1.00 43.03 C ATOM 877 CG TYR A 63 -0.228 3.908 -1.539 1.00 43.43 C ATOM 878 CD1 TYR A 63 -0.199 4.454 -2.823 1.00 30.31 C ATOM 879 CD2 TYR A 63 0.289 4.690 -0.495 1.00 5.35 C ATOM 880 CE1 TYR A 63 0.320 5.714 -3.059 1.00 43.22 C ATOM 881 CE2 TYR A 63 0.804 5.952 -0.729 1.00 30.42 C ATOM 882 CZ TYR A 63 0.819 6.451 -2.010 1.00 60.04 C ATOM 883 OH TYR A 63 1.316 7.715 -2.241 1.00 21.42 O ATOM 0 H TYR A 63 -2.354 2.844 1.070 1.00 10.21 H new ATOM 0 HA TYR A 63 -2.872 2.887 -1.852 1.00 74.14 H new ATOM 0 HB2 TYR A 63 -0.288 2.062 -0.437 1.00 43.03 H new ATOM 0 HB3 TYR A 63 -0.605 1.881 -2.151 1.00 43.03 H new ATOM 0 HD1 TYR A 63 -0.590 3.880 -3.650 1.00 30.31 H new ATOM 0 HD2 TYR A 63 0.285 4.299 0.512 1.00 5.35 H new ATOM 0 HE1 TYR A 63 0.333 6.117 -4.061 1.00 43.22 H new ATOM 0 HE2 TYR A 63 1.192 6.541 0.089 1.00 30.42 H new ATOM 0 HH TYR A 63 0.592 8.371 -2.164 1.00 21.42 H new ATOM 893 N HIS A 64 -3.487 0.403 -1.730 1.00 33.11 N ATOM 894 CA HIS A 64 -3.780 -1.051 -1.688 1.00 21.52 C ATOM 895 C HIS A 64 -2.492 -1.867 -1.869 1.00 40.41 C ATOM 896 O HIS A 64 -1.488 -1.356 -2.385 1.00 24.33 O ATOM 897 CB HIS A 64 -4.776 -1.502 -2.781 1.00 30.35 C ATOM 898 CG HIS A 64 -6.201 -1.028 -2.624 1.00 14.20 C ATOM 899 ND1 HIS A 64 -6.903 -0.513 -3.695 1.00 11.31 N ATOM 900 CD2 HIS A 64 -7.044 -1.134 -1.568 1.00 3.54 C ATOM 901 CE1 HIS A 64 -8.142 -0.345 -3.265 1.00 53.54 C ATOM 902 NE2 HIS A 64 -8.270 -0.701 -1.985 1.00 73.24 N ATOM 0 H HIS A 64 -3.867 0.884 -2.546 1.00 33.11 H new ATOM 0 HA HIS A 64 -4.229 -1.230 -0.711 1.00 21.52 H new ATOM 0 HB2 HIS A 64 -4.405 -1.156 -3.746 1.00 30.35 H new ATOM 0 HB3 HIS A 64 -4.779 -2.592 -2.812 1.00 30.35 H new ATOM 0 HD2 HIS A 64 -6.793 -1.494 -0.581 1.00 3.54 H new ATOM 0 HE1 HIS A 64 -8.950 0.033 -3.874 1.00 53.54 H new ATOM 0 HE2 HIS A 64 -9.121 -0.658 -1.425 1.00 73.24 H new ATOM 910 N THR A 65 -2.573 -3.139 -1.465 1.00 23.14 N ATOM 911 CA THR A 65 -1.554 -4.162 -1.739 1.00 22.13 C ATOM 912 C THR A 65 -1.230 -4.224 -3.252 1.00 64.32 C ATOM 913 O THR A 65 -0.094 -3.992 -3.676 1.00 64.54 O ATOM 914 CB THR A 65 -2.071 -5.563 -1.249 1.00 32.14 C ATOM 915 OG1 THR A 65 -3.332 -5.860 -1.865 1.00 24.24 O ATOM 916 CG2 THR A 65 -2.250 -5.618 0.276 1.00 24.52 C ATOM 0 H THR A 65 -3.364 -3.495 -0.928 1.00 23.14 H new ATOM 0 HA THR A 65 -0.643 -3.898 -1.202 1.00 22.13 H new ATOM 0 HB THR A 65 -1.317 -6.297 -1.533 1.00 32.14 H new ATOM 0 HG1 THR A 65 -4.034 -5.874 -1.182 1.00 24.24 H new ATOM 0 HG21 THR A 65 -2.609 -6.606 0.565 1.00 24.52 H new ATOM 0 HG22 THR A 65 -1.294 -5.423 0.762 1.00 24.52 H new ATOM 0 HG23 THR A 65 -2.975 -4.864 0.585 1.00 24.52 H new ATOM 924 N PHE A 66 -2.295 -4.456 -4.034 1.00 3.12 N ATOM 925 CA PHE A 66 -2.232 -4.720 -5.480 1.00 32.43 C ATOM 926 C PHE A 66 -2.003 -3.450 -6.328 1.00 1.34 C ATOM 927 O PHE A 66 -1.746 -3.562 -7.525 1.00 21.42 O ATOM 928 CB PHE A 66 -3.516 -5.482 -5.935 1.00 24.34 C ATOM 929 CG PHE A 66 -4.855 -4.864 -5.499 1.00 72.24 C ATOM 930 CD1 PHE A 66 -5.493 -3.884 -6.265 1.00 22.32 C ATOM 931 CD2 PHE A 66 -5.492 -5.286 -4.320 1.00 34.31 C ATOM 932 CE1 PHE A 66 -6.706 -3.340 -5.865 1.00 22.13 C ATOM 933 CE2 PHE A 66 -6.703 -4.741 -3.923 1.00 54.40 C ATOM 934 CZ PHE A 66 -7.311 -3.772 -4.697 1.00 3.13 C ATOM 0 H PHE A 66 -3.248 -4.466 -3.670 1.00 3.12 H new ATOM 0 HA PHE A 66 -1.357 -5.347 -5.653 1.00 32.43 H new ATOM 0 HB2 PHE A 66 -3.507 -5.551 -7.023 1.00 24.34 H new ATOM 0 HB3 PHE A 66 -3.466 -6.501 -5.550 1.00 24.34 H new ATOM 0 HD1 PHE A 66 -5.035 -3.545 -7.182 1.00 22.32 H new ATOM 0 HD2 PHE A 66 -5.029 -6.049 -3.712 1.00 34.31 H new ATOM 0 HE1 PHE A 66 -7.179 -2.578 -6.467 1.00 22.13 H new ATOM 0 HE2 PHE A 66 -7.171 -5.074 -3.008 1.00 54.40 H new ATOM 0 HZ PHE A 66 -8.258 -3.352 -4.391 1.00 3.13 H new ATOM 944 N CYS A 67 -2.106 -2.250 -5.716 1.00 64.55 N ATOM 945 CA CYS A 67 -1.883 -0.964 -6.411 1.00 31.31 C ATOM 946 C CYS A 67 -0.393 -0.644 -6.591 1.00 12.31 C ATOM 947 O CYS A 67 -0.038 0.218 -7.404 1.00 52.34 O ATOM 948 CB CYS A 67 -2.582 0.160 -5.632 1.00 72.43 C ATOM 949 SG CYS A 67 -4.392 -0.003 -5.601 1.00 5.24 S ATOM 0 H CYS A 67 -2.345 -2.146 -4.730 1.00 64.55 H new ATOM 0 HA CYS A 67 -2.308 -1.046 -7.411 1.00 31.31 H new ATOM 0 HB2 CYS A 67 -2.208 0.170 -4.608 1.00 72.43 H new ATOM 0 HB3 CYS A 67 -2.318 1.119 -6.077 1.00 72.43 H new ATOM 0 HG CYS A 67 -4.931 1.032 -6.175 1.00 5.24 H new ATOM 954 N LEU A 68 0.462 -1.339 -5.837 1.00 42.05 N ATOM 955 CA LEU A 68 1.918 -1.091 -5.818 1.00 34.41 C ATOM 956 C LEU A 68 2.674 -2.177 -6.597 1.00 51.44 C ATOM 957 O LEU A 68 2.136 -3.260 -6.848 1.00 43.11 O ATOM 958 CB LEU A 68 2.400 -1.027 -4.346 1.00 62.45 C ATOM 959 CG LEU A 68 1.776 0.129 -3.504 1.00 13.12 C ATOM 960 CD1 LEU A 68 2.073 -0.067 -2.017 1.00 31.35 C ATOM 961 CD2 LEU A 68 2.263 1.515 -3.997 1.00 71.30 C ATOM 0 H LEU A 68 0.169 -2.094 -5.217 1.00 42.05 H new ATOM 0 HA LEU A 68 2.126 -0.140 -6.308 1.00 34.41 H new ATOM 0 HB2 LEU A 68 2.170 -1.976 -3.861 1.00 62.45 H new ATOM 0 HB3 LEU A 68 3.485 -0.919 -4.338 1.00 62.45 H new ATOM 0 HG LEU A 68 0.695 0.099 -3.641 1.00 13.12 H new ATOM 0 HD11 LEU A 68 1.630 0.749 -1.447 1.00 31.35 H new ATOM 0 HD12 LEU A 68 1.650 -1.015 -1.683 1.00 31.35 H new ATOM 0 HD13 LEU A 68 3.152 -0.076 -1.859 1.00 31.35 H new ATOM 0 HD21 LEU A 68 1.809 2.298 -3.389 1.00 71.30 H new ATOM 0 HD22 LEU A 68 3.348 1.571 -3.910 1.00 71.30 H new ATOM 0 HD23 LEU A 68 1.975 1.652 -5.039 1.00 71.30 H new ATOM 973 N LEU A 69 3.913 -1.857 -7.024 1.00 71.24 N ATOM 974 CA LEU A 69 4.833 -2.819 -7.647 1.00 44.41 C ATOM 975 C LEU A 69 6.037 -3.013 -6.693 1.00 21.25 C ATOM 976 O LEU A 69 6.780 -2.053 -6.455 1.00 3.50 O ATOM 977 CB LEU A 69 5.313 -2.338 -9.054 1.00 54.11 C ATOM 978 CG LEU A 69 4.248 -2.340 -10.211 1.00 62.40 C ATOM 979 CD1 LEU A 69 3.243 -1.168 -10.091 1.00 0.33 C ATOM 980 CD2 LEU A 69 4.938 -2.350 -11.597 1.00 73.52 C ATOM 0 H LEU A 69 4.301 -0.917 -6.944 1.00 71.24 H new ATOM 0 HA LEU A 69 4.315 -3.765 -7.805 1.00 44.41 H new ATOM 0 HB2 LEU A 69 5.700 -1.324 -8.952 1.00 54.11 H new ATOM 0 HB3 LEU A 69 6.148 -2.968 -9.361 1.00 54.11 H new ATOM 0 HG LEU A 69 3.669 -3.258 -10.111 1.00 62.40 H new ATOM 0 HD11 LEU A 69 2.529 -1.215 -10.914 1.00 0.33 H new ATOM 0 HD12 LEU A 69 2.710 -1.242 -9.143 1.00 0.33 H new ATOM 0 HD13 LEU A 69 3.782 -0.221 -10.132 1.00 0.33 H new ATOM 0 HD21 LEU A 69 4.180 -2.351 -12.381 1.00 73.52 H new ATOM 0 HD22 LEU A 69 5.564 -1.463 -11.698 1.00 73.52 H new ATOM 0 HD23 LEU A 69 5.557 -3.243 -11.689 1.00 73.52 H new ATOM 992 N PRO A 70 6.261 -4.236 -6.099 1.00 62.04 N ATOM 993 CA PRO A 70 5.425 -5.452 -6.308 1.00 62.23 C ATOM 994 C PRO A 70 4.119 -5.440 -5.462 1.00 40.55 C ATOM 995 O PRO A 70 4.096 -4.848 -4.371 1.00 64.11 O ATOM 996 CB PRO A 70 6.382 -6.582 -5.867 1.00 52.12 C ATOM 997 CG PRO A 70 7.210 -5.975 -4.774 1.00 10.44 C ATOM 998 CD PRO A 70 7.382 -4.510 -5.146 1.00 24.35 C ATOM 0 HA PRO A 70 5.065 -5.549 -7.332 1.00 62.23 H new ATOM 0 HB2 PRO A 70 5.830 -7.451 -5.509 1.00 52.12 H new ATOM 0 HB3 PRO A 70 7.005 -6.919 -6.695 1.00 52.12 H new ATOM 0 HG2 PRO A 70 6.717 -6.077 -3.808 1.00 10.44 H new ATOM 0 HG3 PRO A 70 8.176 -6.473 -4.693 1.00 10.44 H new ATOM 0 HD2 PRO A 70 7.323 -3.867 -4.268 1.00 24.35 H new ATOM 0 HD3 PRO A 70 8.352 -4.329 -5.610 1.00 24.35 H new ATOM 1006 N PRO A 71 2.996 -6.051 -5.974 1.00 63.23 N ATOM 1007 CA PRO A 71 1.743 -6.203 -5.190 1.00 45.41 C ATOM 1008 C PRO A 71 1.994 -6.950 -3.866 1.00 24.31 C ATOM 1009 O PRO A 71 2.505 -8.083 -3.880 1.00 24.33 O ATOM 1010 CB PRO A 71 0.813 -6.995 -6.148 1.00 22.03 C ATOM 1011 CG PRO A 71 1.327 -6.670 -7.520 1.00 43.10 C ATOM 1012 CD PRO A 71 2.830 -6.585 -7.361 1.00 25.32 C ATOM 0 HA PRO A 71 1.309 -5.251 -4.886 1.00 45.41 H new ATOM 0 HB2 PRO A 71 0.858 -8.066 -5.950 1.00 22.03 H new ATOM 0 HB3 PRO A 71 -0.228 -6.693 -6.032 1.00 22.03 H new ATOM 0 HG2 PRO A 71 1.048 -7.440 -8.239 1.00 43.10 H new ATOM 0 HG3 PRO A 71 0.914 -5.729 -7.884 1.00 43.10 H new ATOM 0 HD2 PRO A 71 3.303 -7.560 -7.477 1.00 25.32 H new ATOM 0 HD3 PRO A 71 3.277 -5.924 -8.103 1.00 25.32 H new ATOM 1020 N LEU A 72 1.650 -6.306 -2.731 1.00 33.32 N ATOM 1021 CA LEU A 72 1.976 -6.809 -1.387 1.00 15.44 C ATOM 1022 C LEU A 72 1.043 -7.982 -1.024 1.00 11.44 C ATOM 1023 O LEU A 72 0.027 -7.802 -0.347 1.00 12.41 O ATOM 1024 CB LEU A 72 1.888 -5.654 -0.339 1.00 54.02 C ATOM 1025 CG LEU A 72 2.769 -4.393 -0.632 1.00 30.52 C ATOM 1026 CD1 LEU A 72 2.512 -3.271 0.401 1.00 51.54 C ATOM 1027 CD2 LEU A 72 4.271 -4.760 -0.703 1.00 4.24 C ATOM 0 H LEU A 72 1.139 -5.423 -2.724 1.00 33.32 H new ATOM 0 HA LEU A 72 3.001 -7.181 -1.379 1.00 15.44 H new ATOM 0 HB2 LEU A 72 0.848 -5.337 -0.264 1.00 54.02 H new ATOM 0 HB3 LEU A 72 2.171 -6.052 0.636 1.00 54.02 H new ATOM 0 HG LEU A 72 2.477 -4.010 -1.610 1.00 30.52 H new ATOM 0 HD11 LEU A 72 3.140 -2.411 0.168 1.00 51.54 H new ATOM 0 HD12 LEU A 72 1.463 -2.976 0.364 1.00 51.54 H new ATOM 0 HD13 LEU A 72 2.751 -3.635 1.400 1.00 51.54 H new ATOM 0 HD21 LEU A 72 4.855 -3.863 -0.908 1.00 4.24 H new ATOM 0 HD22 LEU A 72 4.586 -5.189 0.248 1.00 4.24 H new ATOM 0 HD23 LEU A 72 4.431 -5.487 -1.500 1.00 4.24 H new ATOM 1039 N THR A 73 1.388 -9.181 -1.519 1.00 41.25 N ATOM 1040 CA THR A 73 0.601 -10.410 -1.303 1.00 64.31 C ATOM 1041 C THR A 73 0.583 -10.785 0.203 1.00 43.35 C ATOM 1042 O THR A 73 -0.379 -11.375 0.716 1.00 13.33 O ATOM 1043 CB THR A 73 1.174 -11.577 -2.174 1.00 53.42 C ATOM 1044 OG1 THR A 73 1.349 -11.116 -3.535 1.00 62.11 O ATOM 1045 CG2 THR A 73 0.258 -12.814 -2.184 1.00 31.42 C ATOM 0 H THR A 73 2.225 -9.328 -2.084 1.00 41.25 H new ATOM 0 HA THR A 73 -0.429 -10.231 -1.613 1.00 64.31 H new ATOM 0 HB THR A 73 2.126 -11.872 -1.732 1.00 53.42 H new ATOM 0 HG1 THR A 73 1.709 -11.844 -4.083 1.00 62.11 H new ATOM 0 HG21 THR A 73 0.704 -13.592 -2.803 1.00 31.42 H new ATOM 0 HG22 THR A 73 0.137 -13.185 -1.166 1.00 31.42 H new ATOM 0 HG23 THR A 73 -0.716 -12.542 -2.590 1.00 31.42 H new ATOM 1053 N SER A 74 1.660 -10.394 0.893 1.00 1.51 N ATOM 1054 CA SER A 74 1.771 -10.433 2.353 1.00 42.15 C ATOM 1055 C SER A 74 1.893 -8.994 2.877 1.00 20.21 C ATOM 1056 O SER A 74 2.550 -8.150 2.238 1.00 73.10 O ATOM 1057 CB SER A 74 3.006 -11.260 2.763 1.00 53.23 C ATOM 1058 OG SER A 74 4.166 -10.835 2.066 1.00 51.10 O ATOM 0 H SER A 74 2.499 -10.033 0.439 1.00 1.51 H new ATOM 0 HA SER A 74 0.886 -10.903 2.782 1.00 42.15 H new ATOM 0 HB2 SER A 74 3.169 -11.166 3.837 1.00 53.23 H new ATOM 0 HB3 SER A 74 2.823 -12.315 2.560 1.00 53.23 H new ATOM 0 HG SER A 74 4.933 -11.376 2.347 1.00 51.10 H new ATOM 1064 N ILE A 75 1.243 -8.719 4.013 1.00 3.25 N ATOM 1065 CA ILE A 75 1.395 -7.461 4.754 1.00 65.44 C ATOM 1066 C ILE A 75 2.777 -7.477 5.455 1.00 40.41 C ATOM 1067 O ILE A 75 3.009 -8.334 6.321 1.00 42.54 O ATOM 1068 CB ILE A 75 0.234 -7.285 5.815 1.00 43.32 C ATOM 1069 CG1 ILE A 75 -1.151 -7.269 5.089 1.00 53.02 C ATOM 1070 CG2 ILE A 75 0.436 -6.020 6.692 1.00 43.12 C ATOM 1071 CD1 ILE A 75 -2.369 -7.237 5.999 1.00 73.31 C ATOM 0 H ILE A 75 0.590 -9.370 4.449 1.00 3.25 H new ATOM 0 HA ILE A 75 1.334 -6.618 4.065 1.00 65.44 H new ATOM 0 HB ILE A 75 0.260 -8.137 6.495 1.00 43.32 H new ATOM 0 HG12 ILE A 75 -1.187 -6.400 4.433 1.00 53.02 H new ATOM 0 HG13 ILE A 75 -1.218 -8.152 4.453 1.00 53.02 H new ATOM 0 HG21 ILE A 75 -0.383 -5.938 7.406 1.00 43.12 H new ATOM 0 HG22 ILE A 75 1.380 -6.098 7.231 1.00 43.12 H new ATOM 0 HG23 ILE A 75 0.453 -5.135 6.056 1.00 43.12 H new ATOM 0 HD11 ILE A 75 -3.275 -7.228 5.394 1.00 73.31 H new ATOM 0 HD12 ILE A 75 -2.369 -8.120 6.639 1.00 73.31 H new ATOM 0 HD13 ILE A 75 -2.337 -6.340 6.618 1.00 73.31 H new ATOM 1083 N PRO A 76 3.727 -6.564 5.068 1.00 65.44 N ATOM 1084 CA PRO A 76 5.098 -6.550 5.640 1.00 65.11 C ATOM 1085 C PRO A 76 5.091 -6.230 7.159 1.00 34.53 C ATOM 1086 O PRO A 76 4.884 -5.072 7.557 1.00 22.40 O ATOM 1087 CB PRO A 76 5.831 -5.465 4.806 1.00 22.01 C ATOM 1088 CG PRO A 76 4.745 -4.591 4.258 1.00 72.43 C ATOM 1089 CD PRO A 76 3.542 -5.485 4.059 1.00 54.23 C ATOM 0 HA PRO A 76 5.591 -7.520 5.579 1.00 65.11 H new ATOM 0 HB2 PRO A 76 6.522 -4.893 5.425 1.00 22.01 H new ATOM 0 HB3 PRO A 76 6.417 -5.914 4.004 1.00 22.01 H new ATOM 0 HG2 PRO A 76 4.516 -3.778 4.947 1.00 72.43 H new ATOM 0 HG3 PRO A 76 5.051 -4.135 3.316 1.00 72.43 H new ATOM 0 HD2 PRO A 76 2.610 -4.943 4.220 1.00 54.23 H new ATOM 0 HD3 PRO A 76 3.506 -5.887 3.046 1.00 54.23 H new ATOM 1097 N LYS A 77 5.231 -7.306 7.965 1.00 23.12 N ATOM 1098 CA LYS A 77 5.300 -7.278 9.441 1.00 72.14 C ATOM 1099 C LYS A 77 3.930 -6.889 10.043 1.00 33.10 C ATOM 1100 O LYS A 77 3.215 -7.742 10.589 1.00 74.32 O ATOM 1101 CB LYS A 77 6.467 -6.360 9.943 1.00 53.10 C ATOM 1102 CG LYS A 77 6.673 -6.337 11.474 1.00 62.53 C ATOM 1103 CD LYS A 77 7.005 -7.729 12.058 1.00 21.20 C ATOM 1104 CE LYS A 77 7.188 -7.706 13.585 1.00 30.13 C ATOM 1105 NZ LYS A 77 7.437 -9.067 14.133 1.00 62.11 N ATOM 0 H LYS A 77 5.302 -8.252 7.590 1.00 23.12 H new ATOM 0 HA LYS A 77 5.531 -8.282 9.796 1.00 72.14 H new ATOM 0 HB2 LYS A 77 7.394 -6.688 9.473 1.00 53.10 H new ATOM 0 HB3 LYS A 77 6.279 -5.342 9.602 1.00 53.10 H new ATOM 0 HG2 LYS A 77 7.480 -5.645 11.716 1.00 62.53 H new ATOM 0 HG3 LYS A 77 5.771 -5.954 11.951 1.00 62.53 H new ATOM 0 HD2 LYS A 77 6.206 -8.425 11.803 1.00 21.20 H new ATOM 0 HD3 LYS A 77 7.916 -8.105 11.593 1.00 21.20 H new ATOM 0 HE2 LYS A 77 8.022 -7.053 13.841 1.00 30.13 H new ATOM 0 HE3 LYS A 77 6.298 -7.284 14.051 1.00 30.13 H new ATOM 0 HZ1 LYS A 77 7.555 -9.010 15.165 1.00 62.11 H new ATOM 0 HZ2 LYS A 77 6.630 -9.684 13.911 1.00 62.11 H new ATOM 0 HZ3 LYS A 77 8.301 -9.460 13.707 1.00 62.11 H new ATOM 1119 N GLY A 78 3.581 -5.608 9.927 1.00 44.32 N ATOM 1120 CA GLY A 78 2.273 -5.104 10.315 1.00 51.24 C ATOM 1121 C GLY A 78 2.114 -3.675 9.842 1.00 53.41 C ATOM 1122 O GLY A 78 1.462 -3.415 8.817 1.00 2.01 O ATOM 0 H GLY A 78 4.205 -4.890 9.558 1.00 44.32 H new ATOM 0 HA2 GLY A 78 1.490 -5.729 9.885 1.00 51.24 H new ATOM 0 HA3 GLY A 78 2.161 -5.153 11.398 1.00 51.24 H new ATOM 1126 N GLU A 79 2.741 -2.749 10.587 1.00 64.44 N ATOM 1127 CA GLU A 79 2.890 -1.341 10.192 1.00 63.34 C ATOM 1128 C GLU A 79 3.758 -1.252 8.920 1.00 72.11 C ATOM 1129 O GLU A 79 4.705 -2.030 8.754 1.00 32.22 O ATOM 1130 CB GLU A 79 3.537 -0.526 11.342 1.00 24.44 C ATOM 1131 CG GLU A 79 3.655 0.992 11.081 1.00 12.23 C ATOM 1132 CD GLU A 79 4.519 1.707 12.129 1.00 71.12 C ATOM 1133 OE1 GLU A 79 4.026 1.969 13.249 1.00 30.43 O ATOM 1134 OE2 GLU A 79 5.710 1.979 11.852 1.00 13.35 O ATOM 0 H GLU A 79 3.163 -2.961 11.491 1.00 64.44 H new ATOM 0 HA GLU A 79 1.906 -0.921 9.984 1.00 63.34 H new ATOM 0 HB2 GLU A 79 2.952 -0.679 12.249 1.00 24.44 H new ATOM 0 HB3 GLU A 79 4.533 -0.925 11.534 1.00 24.44 H new ATOM 0 HG2 GLU A 79 4.082 1.154 10.092 1.00 12.23 H new ATOM 0 HG3 GLU A 79 2.659 1.434 11.074 1.00 12.23 H new ATOM 1141 N TRP A 80 3.435 -0.300 8.042 1.00 51.33 N ATOM 1142 CA TRP A 80 4.033 -0.197 6.715 1.00 11.43 C ATOM 1143 C TRP A 80 4.343 1.267 6.348 1.00 44.42 C ATOM 1144 O TRP A 80 3.602 2.193 6.697 1.00 4.31 O ATOM 1145 CB TRP A 80 3.063 -0.853 5.702 1.00 52.22 C ATOM 1146 CG TRP A 80 3.366 -0.593 4.249 1.00 42.40 C ATOM 1147 CD1 TRP A 80 4.309 -1.193 3.465 1.00 3.34 C ATOM 1148 CD2 TRP A 80 2.695 0.347 3.410 1.00 30.13 C ATOM 1149 NE1 TRP A 80 4.251 -0.690 2.194 1.00 42.51 N ATOM 1150 CE2 TRP A 80 3.266 0.258 2.136 1.00 13.52 C ATOM 1151 CE3 TRP A 80 1.661 1.252 3.625 1.00 62.44 C ATOM 1152 CZ2 TRP A 80 2.829 1.035 1.079 1.00 23.13 C ATOM 1153 CZ3 TRP A 80 1.228 2.028 2.573 1.00 51.44 C ATOM 1154 CH2 TRP A 80 1.814 1.917 1.313 1.00 63.32 C ATOM 0 H TRP A 80 2.745 0.426 8.236 1.00 51.33 H new ATOM 0 HA TRP A 80 4.990 -0.719 6.696 1.00 11.43 H new ATOM 0 HB2 TRP A 80 3.066 -1.930 5.868 1.00 52.22 H new ATOM 0 HB3 TRP A 80 2.053 -0.501 5.913 1.00 52.22 H new ATOM 0 HD1 TRP A 80 5.000 -1.953 3.799 1.00 3.34 H new ATOM 0 HE1 TRP A 80 4.846 -0.975 1.416 1.00 42.51 H new ATOM 0 HE3 TRP A 80 1.206 1.345 4.600 1.00 62.44 H new ATOM 0 HZ2 TRP A 80 3.276 0.947 0.100 1.00 23.13 H new ATOM 0 HZ3 TRP A 80 0.424 2.732 2.726 1.00 51.44 H new ATOM 0 HH2 TRP A 80 1.458 2.541 0.507 1.00 63.32 H new ATOM 1165 N LEU A 81 5.466 1.434 5.638 1.00 13.21 N ATOM 1166 CA LEU A 81 5.910 2.697 5.044 1.00 23.42 C ATOM 1167 C LEU A 81 5.894 2.537 3.514 1.00 73.34 C ATOM 1168 O LEU A 81 6.396 1.521 3.003 1.00 14.31 O ATOM 1169 CB LEU A 81 7.352 3.013 5.525 1.00 3.12 C ATOM 1170 CG LEU A 81 7.565 3.131 7.066 1.00 75.12 C ATOM 1171 CD1 LEU A 81 9.055 3.351 7.412 1.00 62.50 C ATOM 1172 CD2 LEU A 81 6.690 4.248 7.654 1.00 21.50 C ATOM 0 H LEU A 81 6.111 0.665 5.456 1.00 13.21 H new ATOM 0 HA LEU A 81 5.252 3.513 5.343 1.00 23.42 H new ATOM 0 HB2 LEU A 81 8.015 2.234 5.148 1.00 3.12 H new ATOM 0 HB3 LEU A 81 7.667 3.950 5.065 1.00 3.12 H new ATOM 0 HG LEU A 81 7.259 2.188 7.519 1.00 75.12 H new ATOM 0 HD11 LEU A 81 9.170 3.429 8.493 1.00 62.50 H new ATOM 0 HD12 LEU A 81 9.642 2.509 7.045 1.00 62.50 H new ATOM 0 HD13 LEU A 81 9.406 4.270 6.943 1.00 62.50 H new ATOM 0 HD21 LEU A 81 6.855 4.312 8.730 1.00 21.50 H new ATOM 0 HD22 LEU A 81 6.953 5.199 7.190 1.00 21.50 H new ATOM 0 HD23 LEU A 81 5.640 4.028 7.461 1.00 21.50 H new ATOM 1184 N CYS A 82 5.314 3.509 2.782 1.00 44.14 N ATOM 1185 CA CYS A 82 5.320 3.473 1.311 1.00 32.22 C ATOM 1186 C CYS A 82 6.752 3.683 0.790 1.00 20.52 C ATOM 1187 O CYS A 82 7.480 4.503 1.368 1.00 62.14 O ATOM 1188 CB CYS A 82 4.366 4.533 0.726 1.00 2.32 C ATOM 1189 SG CYS A 82 4.834 6.248 1.085 1.00 34.31 S ATOM 0 H CYS A 82 4.841 4.319 3.182 1.00 44.14 H new ATOM 0 HA CYS A 82 4.965 2.495 0.987 1.00 32.22 H new ATOM 0 HB2 CYS A 82 4.317 4.402 -0.355 1.00 2.32 H new ATOM 0 HB3 CYS A 82 3.363 4.355 1.114 1.00 2.32 H new ATOM 0 HG CYS A 82 4.852 6.433 2.372 1.00 34.31 H new ATOM 1194 N PRO A 83 7.187 2.936 -0.281 1.00 55.01 N ATOM 1195 CA PRO A 83 8.547 3.050 -0.882 1.00 34.53 C ATOM 1196 C PRO A 83 9.022 4.508 -1.098 1.00 34.52 C ATOM 1197 O PRO A 83 10.215 4.793 -1.002 1.00 4.20 O ATOM 1198 CB PRO A 83 8.375 2.311 -2.228 1.00 70.20 C ATOM 1199 CG PRO A 83 7.361 1.244 -1.942 1.00 4.33 C ATOM 1200 CD PRO A 83 6.381 1.877 -0.975 1.00 61.35 C ATOM 0 HA PRO A 83 9.316 2.635 -0.230 1.00 34.53 H new ATOM 0 HB2 PRO A 83 8.030 2.987 -3.011 1.00 70.20 H new ATOM 0 HB3 PRO A 83 9.317 1.882 -2.569 1.00 70.20 H new ATOM 0 HG2 PRO A 83 6.861 0.921 -2.855 1.00 4.33 H new ATOM 0 HG3 PRO A 83 7.830 0.362 -1.506 1.00 4.33 H new ATOM 0 HD2 PRO A 83 5.525 2.305 -1.497 1.00 61.35 H new ATOM 0 HD3 PRO A 83 5.990 1.146 -0.268 1.00 61.35 H new ATOM 1208 N ARG A 84 8.055 5.408 -1.359 1.00 2.41 N ATOM 1209 CA ARG A 84 8.297 6.849 -1.579 1.00 32.03 C ATOM 1210 C ARG A 84 8.893 7.517 -0.313 1.00 74.34 C ATOM 1211 O ARG A 84 9.897 8.232 -0.383 1.00 0.51 O ATOM 1212 CB ARG A 84 6.954 7.534 -1.958 1.00 2.04 C ATOM 1213 CG ARG A 84 7.082 8.884 -2.696 1.00 14.25 C ATOM 1214 CD ARG A 84 7.656 8.718 -4.114 1.00 31.05 C ATOM 1215 NE ARG A 84 7.790 9.995 -4.833 1.00 15.20 N ATOM 1216 CZ ARG A 84 8.412 10.145 -6.016 1.00 52.40 C ATOM 1217 NH1 ARG A 84 8.974 9.106 -6.636 1.00 51.32 N ATOM 1218 NH2 ARG A 84 8.474 11.347 -6.572 1.00 2.34 N ATOM 0 H ARG A 84 7.070 5.152 -1.424 1.00 2.41 H new ATOM 0 HA ARG A 84 9.018 6.965 -2.388 1.00 32.03 H new ATOM 0 HB2 ARG A 84 6.381 6.850 -2.585 1.00 2.04 H new ATOM 0 HB3 ARG A 84 6.376 7.691 -1.047 1.00 2.04 H new ATOM 0 HG2 ARG A 84 6.102 9.358 -2.755 1.00 14.25 H new ATOM 0 HG3 ARG A 84 7.725 9.551 -2.121 1.00 14.25 H new ATOM 0 HD2 ARG A 84 8.633 8.239 -4.051 1.00 31.05 H new ATOM 0 HD3 ARG A 84 7.010 8.051 -4.686 1.00 31.05 H new ATOM 0 HE ARG A 84 7.382 10.825 -4.404 1.00 15.20 H new ATOM 0 HH11 ARG A 84 8.936 8.178 -6.213 1.00 51.32 H new ATOM 0 HH12 ARG A 84 9.441 9.239 -7.533 1.00 51.32 H new ATOM 0 HH21 ARG A 84 8.052 12.148 -6.103 1.00 2.34 H new ATOM 0 HH22 ARG A 84 8.944 11.470 -7.469 1.00 2.34 H new ATOM 1232 N CYS A 85 8.260 7.251 0.851 1.00 52.21 N ATOM 1233 CA CYS A 85 8.665 7.821 2.154 1.00 4.44 C ATOM 1234 C CYS A 85 9.988 7.195 2.660 1.00 5.35 C ATOM 1235 O CYS A 85 10.753 7.840 3.378 1.00 40.23 O ATOM 1236 CB CYS A 85 7.530 7.594 3.177 1.00 1.35 C ATOM 1237 SG CYS A 85 5.912 8.278 2.682 1.00 20.53 S ATOM 0 H CYS A 85 7.451 6.633 0.913 1.00 52.21 H new ATOM 0 HA CYS A 85 8.841 8.890 2.031 1.00 4.44 H new ATOM 0 HB2 CYS A 85 7.420 6.523 3.346 1.00 1.35 H new ATOM 0 HB3 CYS A 85 7.822 8.039 4.128 1.00 1.35 H new ATOM 0 HG CYS A 85 5.426 7.576 1.701 1.00 20.53 H new ATOM 1242 N VAL A 86 10.244 5.935 2.228 1.00 34.22 N ATOM 1243 CA VAL A 86 11.453 5.166 2.599 1.00 22.34 C ATOM 1244 C VAL A 86 12.721 5.761 1.928 1.00 22.35 C ATOM 1245 O VAL A 86 13.832 5.579 2.434 1.00 24.44 O ATOM 1246 CB VAL A 86 11.276 3.639 2.220 1.00 33.30 C ATOM 1247 CG1 VAL A 86 12.501 2.771 2.604 1.00 1.21 C ATOM 1248 CG2 VAL A 86 9.993 3.066 2.863 1.00 11.53 C ATOM 0 H VAL A 86 9.614 5.424 1.610 1.00 34.22 H new ATOM 0 HA VAL A 86 11.584 5.238 3.679 1.00 22.34 H new ATOM 0 HB VAL A 86 11.189 3.599 1.134 1.00 33.30 H new ATOM 0 HG11 VAL A 86 12.317 1.735 2.318 1.00 1.21 H new ATOM 0 HG12 VAL A 86 13.385 3.139 2.084 1.00 1.21 H new ATOM 0 HG13 VAL A 86 12.663 2.827 3.680 1.00 1.21 H new ATOM 0 HG21 VAL A 86 9.888 2.016 2.592 1.00 11.53 H new ATOM 0 HG22 VAL A 86 10.058 3.156 3.947 1.00 11.53 H new ATOM 0 HG23 VAL A 86 9.127 3.622 2.504 1.00 11.53 H new ATOM 1258 N VAL A 87 12.534 6.498 0.807 1.00 22.41 N ATOM 1259 CA VAL A 87 13.653 7.128 0.057 1.00 12.24 C ATOM 1260 C VAL A 87 14.369 8.211 0.891 1.00 2.55 C ATOM 1261 O VAL A 87 15.600 8.322 0.845 1.00 31.22 O ATOM 1262 CB VAL A 87 13.159 7.751 -1.305 1.00 33.51 C ATOM 1263 CG1 VAL A 87 14.284 8.484 -2.079 1.00 24.31 C ATOM 1264 CG2 VAL A 87 12.531 6.661 -2.185 1.00 12.11 C ATOM 0 H VAL A 87 11.616 6.673 0.399 1.00 22.41 H new ATOM 0 HA VAL A 87 14.365 6.331 -0.157 1.00 12.24 H new ATOM 0 HB VAL A 87 12.410 8.503 -1.056 1.00 33.51 H new ATOM 0 HG11 VAL A 87 13.882 8.891 -3.007 1.00 24.31 H new ATOM 0 HG12 VAL A 87 14.677 9.296 -1.467 1.00 24.31 H new ATOM 0 HG13 VAL A 87 15.085 7.782 -2.308 1.00 24.31 H new ATOM 0 HG21 VAL A 87 12.193 7.101 -3.123 1.00 12.11 H new ATOM 0 HG22 VAL A 87 13.272 5.889 -2.392 1.00 12.11 H new ATOM 0 HG23 VAL A 87 11.682 6.218 -1.665 1.00 12.11 H new ATOM 1274 N GLU A 88 13.575 8.980 1.663 1.00 11.34 N ATOM 1275 CA GLU A 88 14.079 10.121 2.467 1.00 32.14 C ATOM 1276 C GLU A 88 15.152 9.685 3.496 1.00 42.34 C ATOM 1277 O GLU A 88 14.976 8.670 4.171 1.00 20.45 O ATOM 1278 CB GLU A 88 12.914 10.841 3.205 1.00 52.31 C ATOM 1279 CG GLU A 88 11.858 11.498 2.292 1.00 70.04 C ATOM 1280 CD GLU A 88 10.806 12.306 3.089 1.00 75.44 C ATOM 1281 OE1 GLU A 88 11.076 13.489 3.424 1.00 33.22 O ATOM 1282 OE2 GLU A 88 9.714 11.766 3.385 1.00 43.02 O ATOM 0 H GLU A 88 12.570 8.832 1.749 1.00 11.34 H new ATOM 0 HA GLU A 88 14.545 10.812 1.765 1.00 32.14 H new ATOM 0 HB2 GLU A 88 12.413 10.119 3.850 1.00 52.31 H new ATOM 0 HB3 GLU A 88 13.337 11.608 3.854 1.00 52.31 H new ATOM 0 HG2 GLU A 88 12.356 12.158 1.582 1.00 70.04 H new ATOM 0 HG3 GLU A 88 11.354 10.726 1.710 1.00 70.04 H new ATOM 1289 N GLU A 89 16.244 10.486 3.583 1.00 53.11 N ATOM 1290 CA GLU A 89 17.397 10.282 4.501 1.00 42.55 C ATOM 1291 C GLU A 89 18.021 8.872 4.324 1.00 51.12 C ATOM 1292 O GLU A 89 17.491 7.887 4.849 1.00 72.03 O ATOM 1293 CB GLU A 89 17.000 10.548 6.001 1.00 12.14 C ATOM 1294 CG GLU A 89 18.136 11.100 6.908 1.00 34.35 C ATOM 1295 CD GLU A 89 19.420 10.244 6.926 1.00 42.50 C ATOM 1296 OE1 GLU A 89 19.466 9.246 7.678 1.00 13.44 O ATOM 1297 OE2 GLU A 89 20.378 10.557 6.178 1.00 23.31 O ATOM 0 H GLU A 89 16.351 11.316 3.000 1.00 53.11 H new ATOM 0 HA GLU A 89 18.157 11.015 4.231 1.00 42.55 H new ATOM 0 HB2 GLU A 89 16.170 11.254 6.019 1.00 12.14 H new ATOM 0 HB3 GLU A 89 16.635 9.616 6.433 1.00 12.14 H new ATOM 0 HG2 GLU A 89 18.391 12.106 6.576 1.00 34.35 H new ATOM 0 HG3 GLU A 89 17.759 11.187 7.927 1.00 34.35 H new ATOM 1304 N VAL A 90 19.159 8.800 3.613 1.00 70.34 N ATOM 1305 CA VAL A 90 19.862 7.530 3.362 1.00 13.53 C ATOM 1306 C VAL A 90 20.495 6.980 4.667 1.00 42.22 C ATOM 1307 O VAL A 90 20.071 5.927 5.157 1.00 61.13 O ATOM 1308 CB VAL A 90 20.957 7.681 2.241 1.00 44.45 C ATOM 1309 CG1 VAL A 90 21.671 6.337 1.955 1.00 22.13 C ATOM 1310 CG2 VAL A 90 20.349 8.274 0.951 1.00 35.31 C ATOM 0 H VAL A 90 19.615 9.613 3.199 1.00 70.34 H new ATOM 0 HA VAL A 90 19.120 6.815 3.007 1.00 13.53 H new ATOM 0 HB VAL A 90 21.711 8.377 2.610 1.00 44.45 H new ATOM 0 HG11 VAL A 90 22.420 6.481 1.176 1.00 22.13 H new ATOM 0 HG12 VAL A 90 22.157 5.983 2.864 1.00 22.13 H new ATOM 0 HG13 VAL A 90 20.940 5.600 1.623 1.00 22.13 H new ATOM 0 HG21 VAL A 90 21.126 8.368 0.192 1.00 35.31 H new ATOM 0 HG22 VAL A 90 19.561 7.616 0.584 1.00 35.31 H new ATOM 0 HG23 VAL A 90 19.930 9.257 1.165 1.00 35.31 H new ATOM 1320 N SER A 91 21.472 7.727 5.243 1.00 3.42 N ATOM 1321 CA SER A 91 22.253 7.263 6.423 1.00 52.23 C ATOM 1322 C SER A 91 23.153 8.382 7.007 1.00 40.24 C ATOM 1323 O SER A 91 23.797 9.126 6.254 1.00 12.34 O ATOM 1324 CB SER A 91 23.118 6.030 6.034 1.00 41.21 C ATOM 1325 OG SER A 91 23.910 6.288 4.882 1.00 33.31 O ATOM 0 H SER A 91 21.739 8.654 4.910 1.00 3.42 H new ATOM 0 HA SER A 91 21.540 6.983 7.198 1.00 52.23 H new ATOM 0 HB2 SER A 91 23.766 5.761 6.869 1.00 41.21 H new ATOM 0 HB3 SER A 91 22.469 5.175 5.846 1.00 41.21 H new ATOM 0 HG SER A 91 24.442 5.494 4.666 1.00 33.31 H new ATOM 1331 N LYS A 92 23.184 8.487 8.362 1.00 64.43 N ATOM 1332 CA LYS A 92 24.095 9.386 9.122 1.00 43.03 C ATOM 1333 C LYS A 92 24.750 8.574 10.264 1.00 13.34 C ATOM 1334 O LYS A 92 24.042 7.818 10.946 1.00 1.33 O ATOM 1335 CB LYS A 92 23.319 10.585 9.746 1.00 25.32 C ATOM 1336 CG LYS A 92 22.562 11.476 8.740 1.00 55.42 C ATOM 1337 CD LYS A 92 21.766 12.604 9.439 1.00 20.54 C ATOM 1338 CE LYS A 92 20.988 13.497 8.460 1.00 72.54 C ATOM 1339 NZ LYS A 92 20.248 14.579 9.172 1.00 12.43 N ATOM 0 H LYS A 92 22.568 7.942 8.966 1.00 64.43 H new ATOM 0 HA LYS A 92 24.845 9.779 8.436 1.00 43.03 H new ATOM 0 HB2 LYS A 92 22.604 10.196 10.471 1.00 25.32 H new ATOM 0 HB3 LYS A 92 24.025 11.206 10.297 1.00 25.32 H new ATOM 0 HG2 LYS A 92 23.273 11.916 8.040 1.00 55.42 H new ATOM 0 HG3 LYS A 92 21.879 10.860 8.155 1.00 55.42 H new ATOM 0 HD2 LYS A 92 21.067 12.160 10.148 1.00 20.54 H new ATOM 0 HD3 LYS A 92 22.455 13.222 10.015 1.00 20.54 H new ATOM 0 HE2 LYS A 92 21.679 13.940 7.743 1.00 72.54 H new ATOM 0 HE3 LYS A 92 20.285 12.888 7.891 1.00 72.54 H new ATOM 0 HZ1 LYS A 92 19.735 15.162 8.480 1.00 12.43 H new ATOM 0 HZ2 LYS A 92 19.571 14.156 9.839 1.00 12.43 H new ATOM 0 HZ3 LYS A 92 20.922 15.175 9.694 1.00 12.43 H new ATOM 1353 N PRO A 93 26.101 8.686 10.495 1.00 42.23 N ATOM 1354 CA PRO A 93 26.775 8.025 11.649 1.00 5.34 C ATOM 1355 C PRO A 93 26.271 8.595 13.004 1.00 25.32 C ATOM 1356 O PRO A 93 26.642 9.706 13.407 1.00 11.34 O ATOM 1357 CB PRO A 93 28.283 8.323 11.406 1.00 42.12 C ATOM 1358 CG PRO A 93 28.306 9.542 10.531 1.00 54.30 C ATOM 1359 CD PRO A 93 27.078 9.430 9.648 1.00 62.45 C ATOM 0 HA PRO A 93 26.570 6.956 11.711 1.00 5.34 H new ATOM 0 HB2 PRO A 93 28.805 8.503 12.346 1.00 42.12 H new ATOM 0 HB3 PRO A 93 28.778 7.481 10.922 1.00 42.12 H new ATOM 0 HG2 PRO A 93 28.279 10.454 11.128 1.00 54.30 H new ATOM 0 HG3 PRO A 93 29.217 9.579 9.934 1.00 54.30 H new ATOM 0 HD2 PRO A 93 26.697 10.411 9.365 1.00 62.45 H new ATOM 0 HD3 PRO A 93 27.296 8.895 8.724 1.00 62.45 H new ATOM 1367 N GLN A 94 25.417 7.819 13.696 1.00 31.31 N ATOM 1368 CA GLN A 94 24.635 8.301 14.857 1.00 14.11 C ATOM 1369 C GLN A 94 24.362 7.126 15.838 1.00 30.43 C ATOM 1370 O GLN A 94 23.569 6.222 15.488 1.00 22.32 O ATOM 1371 CB GLN A 94 23.299 8.926 14.348 1.00 32.44 C ATOM 1372 CG GLN A 94 22.362 9.458 15.452 1.00 54.42 C ATOM 1373 CD GLN A 94 21.005 9.939 14.925 1.00 51.32 C ATOM 1374 OE1 GLN A 94 20.891 10.410 13.791 1.00 52.45 O ATOM 1375 NE2 GLN A 94 19.962 9.820 15.738 1.00 3.22 N ATOM 1376 OXT GLN A 94 24.945 7.109 16.945 1.00 37.49 O ATOM 0 H GLN A 94 25.247 6.839 13.469 1.00 31.31 H new ATOM 0 HA GLN A 94 25.199 9.064 15.394 1.00 14.11 H new ATOM 0 HB2 GLN A 94 23.535 9.745 13.668 1.00 32.44 H new ATOM 0 HB3 GLN A 94 22.762 8.175 13.769 1.00 32.44 H new ATOM 0 HG2 GLN A 94 22.198 8.671 16.188 1.00 54.42 H new ATOM 0 HG3 GLN A 94 22.854 10.282 15.969 1.00 54.42 H new ATOM 0 HE21 GLN A 94 20.085 9.427 16.671 1.00 3.22 H new ATOM 0 HE22 GLN A 94 19.038 10.122 15.429 1.00 3.22 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -5.983 0.550 -4.809 1.00 71.01 ZN HETATM 1387 ZN ZN A 102 4.181 7.513 2.366 1.00 45.43 ZN