USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 987 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 GLN : amide:sc= 0.692 K(o=0.63,f=-3.4!) USER MOD Set 1.2: A 104 THR OG1 : rot -8:sc= -0.0663 USER MOD Set 2.1: A 56 TYR OH : rot 38:sc= 0.759 USER MOD Set 2.2: A 65 GLN : amide:sc= 0.39 X(o=0.44,f=-0.026) USER MOD Set 2.3: A 69 HIS : no HE2:sc= -0.711 K(o=0.44,f=-1.6) USER MOD Set 3.1: A 5 THR OG1 : rot 135:sc= 1.13 USER MOD Set 3.2: A 127 HIS : no HD1:sc= 0.361 K(o=1.5,f=-0.11) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.408 (180deg=-1.14) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -167:sc= 0.424 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= 0.566 (180deg=0.0505) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.483 USER MOD Single : A 23 THR OG1 : rot 137:sc= 0.0239 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0389) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 165:sc= 0.188 USER MOD Single : A 37 ASN : amide:sc= -0.111 K(o=-0.11,f=-5.1!) USER MOD Single : A 40 ASN : amide:sc= -1.7! C(o=-1.7!,f=-5.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 0.127 (180deg=0.02) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00618 USER MOD Single : A 51 SER OG : rot 90:sc= 0.763 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc=-0.00883 (180deg=-0.126) USER MOD Single : A 58 MET CE :methyl -142:sc= -0.137 (180deg=-0.771) USER MOD Single : A 61 TYR OH : rot 70:sc= -1.31 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0.802 (180deg=0.772) USER MOD Single : A 83 GLN : amide:sc= 0.359 K(o=0.36,f=-3!) USER MOD Single : A 86 THR OG1 : rot -28:sc= 0.533 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 0.461 (180deg=0.373) USER MOD Single : A 93 ASN : amide:sc=-0.00569 K(o=-0.0057,f=-0.96) USER MOD Single : A 96 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 97 THR OG1 : rot -150:sc= 0.134 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 148:sc= 0.616 (180deg=0.162) USER MOD Single : A 109 LYS NZ :NH3+ -151:sc= 1.15 (180deg=0.418) USER MOD Single : A 115 GLN : amide:sc= 0.179 X(o=0.18,f=-0.16) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 131:sc= 0.539 (180deg=0.201) USER MOD Single : A 123 LYS NZ :NH3+ -149:sc= 0.722 (180deg=0.249) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 130 HIS : no HE2:sc= 0.8 K(o=0.8,f=-2.5!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.377 -8.650 17.000 1.00 55.25 N ATOM 2 CA MET A 1 3.789 -8.868 15.600 1.00 14.32 C ATOM 3 C MET A 1 5.017 -9.769 15.550 1.00 21.33 C ATOM 4 O MET A 1 6.001 -9.540 16.254 1.00 21.22 O ATOM 5 CB MET A 1 4.077 -7.514 14.942 1.00 33.33 C ATOM 6 CG MET A 1 4.516 -7.584 13.487 1.00 3.40 C ATOM 7 SD MET A 1 4.607 -5.958 12.710 1.00 52.20 S ATOM 8 CE MET A 1 5.572 -5.038 13.894 1.00 51.42 C ATOM 0 H1 MET A 1 2.539 -8.035 17.023 1.00 55.25 H new ATOM 0 H2 MET A 1 3.148 -9.564 17.441 1.00 55.25 H new ATOM 0 H3 MET A 1 4.153 -8.198 17.524 1.00 55.25 H new ATOM 0 HA MET A 1 2.986 -9.362 15.053 1.00 14.32 H new ATOM 0 HB2 MET A 1 3.180 -6.899 15.005 1.00 33.33 H new ATOM 0 HB3 MET A 1 4.853 -7.007 15.515 1.00 33.33 H new ATOM 0 HG2 MET A 1 5.492 -8.065 13.429 1.00 3.40 H new ATOM 0 HG3 MET A 1 3.818 -8.210 12.931 1.00 3.40 H new ATOM 0 HE1 MET A 1 6.117 -4.245 13.382 1.00 51.42 H new ATOM 0 HE2 MET A 1 4.910 -4.600 14.641 1.00 51.42 H new ATOM 0 HE3 MET A 1 6.280 -5.706 14.384 1.00 51.42 H new ATOM 20 N LYS A 2 4.938 -10.803 14.725 1.00 54.04 N ATOM 21 CA LYS A 2 6.045 -11.719 14.525 1.00 13.21 C ATOM 22 C LYS A 2 6.760 -11.371 13.224 1.00 25.53 C ATOM 23 O LYS A 2 6.230 -10.623 12.402 1.00 3.35 O ATOM 24 CB LYS A 2 5.545 -13.176 14.517 1.00 64.40 C ATOM 25 CG LYS A 2 4.568 -13.512 13.391 1.00 14.33 C ATOM 26 CD LYS A 2 3.959 -14.897 13.558 1.00 33.23 C ATOM 27 CE LYS A 2 3.009 -14.949 14.746 1.00 44.50 C ATOM 28 NZ LYS A 2 2.494 -16.316 14.987 1.00 65.14 N ATOM 0 H LYS A 2 4.107 -11.028 14.178 1.00 54.04 H new ATOM 0 HA LYS A 2 6.752 -11.620 15.349 1.00 13.21 H new ATOM 0 HB2 LYS A 2 6.406 -13.840 14.442 1.00 64.40 H new ATOM 0 HB3 LYS A 2 5.063 -13.385 15.472 1.00 64.40 H new ATOM 0 HG2 LYS A 2 3.773 -12.767 13.367 1.00 14.33 H new ATOM 0 HG3 LYS A 2 5.086 -13.457 12.433 1.00 14.33 H new ATOM 0 HD2 LYS A 2 3.423 -15.172 12.650 1.00 33.23 H new ATOM 0 HD3 LYS A 2 4.753 -15.631 13.694 1.00 33.23 H new ATOM 0 HE2 LYS A 2 3.525 -14.594 15.638 1.00 44.50 H new ATOM 0 HE3 LYS A 2 2.173 -14.272 14.571 1.00 44.50 H new ATOM 0 HZ1 LYS A 2 1.851 -16.306 15.805 1.00 65.14 H new ATOM 0 HZ2 LYS A 2 1.979 -16.646 14.146 1.00 65.14 H new ATOM 0 HZ3 LYS A 2 3.289 -16.958 15.180 1.00 65.14 H new ATOM 42 N ASP A 3 7.956 -11.906 13.048 1.00 2.34 N ATOM 43 CA ASP A 3 8.743 -11.669 11.843 1.00 72.24 C ATOM 44 C ASP A 3 8.209 -12.507 10.670 1.00 65.31 C ATOM 45 O ASP A 3 8.307 -13.735 10.643 1.00 72.32 O ATOM 46 CB ASP A 3 10.247 -11.912 12.106 1.00 44.42 C ATOM 47 CG ASP A 3 10.593 -13.306 12.607 1.00 71.31 C ATOM 48 OD1 ASP A 3 10.128 -13.695 13.698 1.00 21.32 O ATOM 49 OD2 ASP A 3 11.362 -14.003 11.924 1.00 23.20 O ATOM 0 H ASP A 3 8.410 -12.514 13.730 1.00 2.34 H new ATOM 0 HA ASP A 3 8.639 -10.621 11.560 1.00 72.24 H new ATOM 0 HB2 ASP A 3 10.797 -11.727 11.183 1.00 44.42 H new ATOM 0 HB3 ASP A 3 10.596 -11.182 12.837 1.00 44.42 H new ATOM 54 N GLY A 4 7.598 -11.820 9.719 1.00 32.33 N ATOM 55 CA GLY A 4 6.971 -12.482 8.600 1.00 61.21 C ATOM 56 C GLY A 4 6.393 -11.486 7.629 1.00 11.24 C ATOM 57 O GLY A 4 6.513 -10.277 7.832 1.00 52.42 O ATOM 0 H GLY A 4 7.526 -10.803 9.705 1.00 32.33 H new ATOM 0 HA2 GLY A 4 7.702 -13.109 8.089 1.00 61.21 H new ATOM 0 HA3 GLY A 4 6.182 -13.142 8.961 1.00 61.21 H new ATOM 61 N THR A 5 5.754 -11.981 6.590 1.00 44.32 N ATOM 62 CA THR A 5 5.194 -11.121 5.573 1.00 12.41 C ATOM 63 C THR A 5 3.688 -11.000 5.749 1.00 64.14 C ATOM 64 O THR A 5 2.946 -11.975 5.708 1.00 41.24 O ATOM 65 CB THR A 5 5.560 -11.629 4.165 1.00 41.41 C ATOM 66 OG1 THR A 5 6.979 -11.632 4.027 1.00 61.11 O ATOM 67 CG2 THR A 5 4.960 -10.766 3.068 1.00 60.30 C ATOM 0 H THR A 5 5.610 -12.978 6.429 1.00 44.32 H new ATOM 0 HA THR A 5 5.624 -10.125 5.684 1.00 12.41 H new ATOM 0 HB THR A 5 5.153 -12.634 4.058 1.00 41.41 H new ATOM 0 HG1 THR A 5 7.266 -12.474 3.615 1.00 61.11 H new ATOM 0 HG21 THR A 5 5.246 -11.164 2.094 1.00 60.30 H new ATOM 0 HG22 THR A 5 3.874 -10.769 3.156 1.00 60.30 H new ATOM 0 HG23 THR A 5 5.329 -9.745 3.165 1.00 60.30 H new ATOM 75 N TYR A 6 3.266 -9.788 5.984 1.00 54.22 N ATOM 76 CA TYR A 6 1.875 -9.473 6.172 1.00 3.24 C ATOM 77 C TYR A 6 1.374 -8.760 4.954 1.00 3.21 C ATOM 78 O TYR A 6 2.075 -7.939 4.420 1.00 32.54 O ATOM 79 CB TYR A 6 1.716 -8.548 7.368 1.00 3.51 C ATOM 80 CG TYR A 6 2.131 -9.150 8.677 1.00 40.44 C ATOM 81 CD1 TYR A 6 3.455 -9.157 9.098 1.00 64.15 C ATOM 82 CD2 TYR A 6 1.181 -9.681 9.505 1.00 2.31 C ATOM 83 CE1 TYR A 6 3.806 -9.695 10.317 1.00 31.22 C ATOM 84 CE2 TYR A 6 1.521 -10.203 10.713 1.00 34.43 C ATOM 85 CZ TYR A 6 2.824 -10.211 11.124 1.00 23.15 C ATOM 86 OH TYR A 6 3.133 -10.729 12.354 1.00 51.14 O ATOM 0 H TYR A 6 3.886 -8.981 6.051 1.00 54.22 H new ATOM 0 HA TYR A 6 1.314 -10.393 6.339 1.00 3.24 H new ATOM 0 HB2 TYR A 6 2.303 -7.646 7.195 1.00 3.51 H new ATOM 0 HB3 TYR A 6 0.673 -8.241 7.438 1.00 3.51 H new ATOM 0 HD1 TYR A 6 4.219 -8.735 8.462 1.00 64.15 H new ATOM 0 HD2 TYR A 6 0.147 -9.686 9.195 1.00 2.31 H new ATOM 0 HE1 TYR A 6 4.839 -9.710 10.632 1.00 31.22 H new ATOM 0 HE2 TYR A 6 0.755 -10.615 11.353 1.00 34.43 H new ATOM 0 HH TYR A 6 2.366 -11.231 12.700 1.00 51.14 H new ATOM 96 N TYR A 7 0.200 -9.085 4.482 1.00 32.12 N ATOM 97 CA TYR A 7 -0.397 -8.274 3.445 1.00 22.11 C ATOM 98 C TYR A 7 -1.894 -8.156 3.688 1.00 22.13 C ATOM 99 O TYR A 7 -2.499 -9.012 4.348 1.00 31.22 O ATOM 100 CB TYR A 7 -0.044 -8.811 2.029 1.00 45.12 C ATOM 101 CG TYR A 7 -1.092 -9.666 1.358 1.00 11.13 C ATOM 102 CD1 TYR A 7 -1.218 -11.015 1.649 1.00 42.41 C ATOM 103 CD2 TYR A 7 -1.969 -9.101 0.441 1.00 65.02 C ATOM 104 CE1 TYR A 7 -2.189 -11.781 1.042 1.00 63.34 C ATOM 105 CE2 TYR A 7 -2.943 -9.853 -0.169 1.00 64.13 C ATOM 106 CZ TYR A 7 -3.053 -11.197 0.135 1.00 2.14 C ATOM 107 OH TYR A 7 -4.027 -11.960 -0.464 1.00 10.00 O ATOM 0 H TYR A 7 -0.354 -9.885 4.787 1.00 32.12 H new ATOM 0 HA TYR A 7 0.021 -7.268 3.486 1.00 22.11 H new ATOM 0 HB2 TYR A 7 0.168 -7.959 1.383 1.00 45.12 H new ATOM 0 HB3 TYR A 7 0.876 -9.392 2.103 1.00 45.12 H new ATOM 0 HD1 TYR A 7 -0.546 -11.472 2.361 1.00 42.41 H new ATOM 0 HD2 TYR A 7 -1.883 -8.051 0.203 1.00 65.02 H new ATOM 0 HE1 TYR A 7 -2.275 -12.832 1.274 1.00 63.34 H new ATOM 0 HE2 TYR A 7 -3.617 -9.398 -0.880 1.00 64.13 H new ATOM 0 HH TYR A 7 -4.552 -11.401 -1.074 1.00 10.00 H new ATOM 117 N ALA A 8 -2.467 -7.084 3.183 1.00 52.14 N ATOM 118 CA ALA A 8 -3.902 -6.908 3.172 1.00 41.21 C ATOM 119 C ALA A 8 -4.312 -6.280 1.867 1.00 61.00 C ATOM 120 O ALA A 8 -3.563 -5.487 1.295 1.00 72.44 O ATOM 121 CB ALA A 8 -4.360 -6.044 4.326 1.00 75.54 C ATOM 0 H ALA A 8 -1.949 -6.309 2.768 1.00 52.14 H new ATOM 0 HA ALA A 8 -4.373 -7.885 3.281 1.00 41.21 H new ATOM 0 HB1 ALA A 8 -5.444 -5.931 4.289 1.00 75.54 H new ATOM 0 HB2 ALA A 8 -4.076 -6.514 5.268 1.00 75.54 H new ATOM 0 HB3 ALA A 8 -3.891 -5.063 4.255 1.00 75.54 H new ATOM 127 N GLU A 9 -5.491 -6.632 1.401 1.00 53.34 N ATOM 128 CA GLU A 9 -6.015 -6.057 0.185 1.00 70.03 C ATOM 129 C GLU A 9 -7.230 -5.213 0.527 1.00 34.24 C ATOM 130 O GLU A 9 -7.877 -5.439 1.556 1.00 21.22 O ATOM 131 CB GLU A 9 -6.342 -7.160 -0.835 1.00 10.12 C ATOM 132 CG GLU A 9 -7.510 -8.056 -0.479 1.00 4.31 C ATOM 133 CD GLU A 9 -7.614 -9.249 -1.405 1.00 12.05 C ATOM 134 OE1 GLU A 9 -8.238 -9.125 -2.475 1.00 33.54 O ATOM 135 OE2 GLU A 9 -7.068 -10.313 -1.070 1.00 12.50 O ATOM 0 H GLU A 9 -6.104 -7.314 1.848 1.00 53.34 H new ATOM 0 HA GLU A 9 -5.268 -5.413 -0.280 1.00 70.03 H new ATOM 0 HB2 GLU A 9 -6.547 -6.691 -1.797 1.00 10.12 H new ATOM 0 HB3 GLU A 9 -5.457 -7.782 -0.966 1.00 10.12 H new ATOM 0 HG2 GLU A 9 -7.400 -8.403 0.548 1.00 4.31 H new ATOM 0 HG3 GLU A 9 -8.435 -7.481 -0.524 1.00 4.31 H new ATOM 142 N ALA A 10 -7.496 -4.203 -0.294 1.00 11.13 N ATOM 143 CA ALA A 10 -8.588 -3.266 -0.050 1.00 73.24 C ATOM 144 C ALA A 10 -9.964 -3.915 -0.200 1.00 44.31 C ATOM 145 O ALA A 10 -10.106 -5.024 -0.724 1.00 64.12 O ATOM 146 CB ALA A 10 -8.458 -2.073 -0.982 1.00 41.31 C ATOM 0 H ALA A 10 -6.964 -4.011 -1.143 1.00 11.13 H new ATOM 0 HA ALA A 10 -8.510 -2.934 0.985 1.00 73.24 H new ATOM 0 HB1 ALA A 10 -9.275 -1.376 -0.797 1.00 41.31 H new ATOM 0 HB2 ALA A 10 -7.506 -1.573 -0.802 1.00 41.31 H new ATOM 0 HB3 ALA A 10 -8.499 -2.413 -2.017 1.00 41.31 H new ATOM 152 N ASP A 11 -10.975 -3.213 0.278 1.00 64.25 N ATOM 153 CA ASP A 11 -12.359 -3.668 0.164 1.00 34.44 C ATOM 154 C ASP A 11 -12.941 -3.252 -1.200 1.00 15.05 C ATOM 155 O ASP A 11 -13.970 -3.760 -1.650 1.00 61.03 O ATOM 156 CB ASP A 11 -13.173 -3.076 1.326 1.00 4.21 C ATOM 157 CG ASP A 11 -14.594 -3.598 1.403 1.00 13.24 C ATOM 158 OD1 ASP A 11 -14.781 -4.803 1.666 1.00 72.44 O ATOM 159 OD2 ASP A 11 -15.528 -2.800 1.218 1.00 72.13 O ATOM 0 H ASP A 11 -10.867 -2.317 0.754 1.00 64.25 H new ATOM 0 HA ASP A 11 -12.404 -4.756 0.222 1.00 34.44 H new ATOM 0 HB2 ASP A 11 -12.663 -3.296 2.264 1.00 4.21 H new ATOM 0 HB3 ASP A 11 -13.199 -1.991 1.224 1.00 4.21 H new ATOM 164 N ASP A 12 -12.226 -2.358 -1.867 1.00 44.02 N ATOM 165 CA ASP A 12 -12.654 -1.765 -3.120 1.00 21.02 C ATOM 166 C ASP A 12 -11.548 -1.859 -4.169 1.00 33.02 C ATOM 167 O ASP A 12 -10.392 -2.153 -3.851 1.00 52.53 O ATOM 168 CB ASP A 12 -13.013 -0.284 -2.886 1.00 25.32 C ATOM 169 CG ASP A 12 -11.828 0.545 -2.399 1.00 65.12 C ATOM 170 OD1 ASP A 12 -11.449 0.418 -1.215 1.00 31.44 O ATOM 171 OD2 ASP A 12 -11.267 1.317 -3.201 1.00 14.52 O ATOM 0 H ASP A 12 -11.319 -2.021 -1.546 1.00 44.02 H new ATOM 0 HA ASP A 12 -13.526 -2.309 -3.484 1.00 21.02 H new ATOM 0 HB2 ASP A 12 -13.392 0.144 -3.814 1.00 25.32 H new ATOM 0 HB3 ASP A 12 -13.818 -0.222 -2.154 1.00 25.32 H new ATOM 176 N PHE A 13 -11.919 -1.634 -5.419 1.00 14.33 N ATOM 177 CA PHE A 13 -10.958 -1.365 -6.477 1.00 54.30 C ATOM 178 C PHE A 13 -10.990 0.120 -6.773 1.00 21.04 C ATOM 179 O PHE A 13 -12.008 0.780 -6.542 1.00 70.44 O ATOM 180 CB PHE A 13 -11.287 -2.129 -7.773 1.00 60.13 C ATOM 181 CG PHE A 13 -11.143 -3.624 -7.695 1.00 42.55 C ATOM 182 CD1 PHE A 13 -12.199 -4.419 -7.282 1.00 3.41 C ATOM 183 CD2 PHE A 13 -9.955 -4.232 -8.054 1.00 75.25 C ATOM 184 CE1 PHE A 13 -12.069 -5.791 -7.228 1.00 53.11 C ATOM 185 CE2 PHE A 13 -9.821 -5.605 -8.002 1.00 71.34 C ATOM 186 CZ PHE A 13 -10.880 -6.384 -7.587 1.00 31.44 C ATOM 0 H PHE A 13 -12.891 -1.633 -5.728 1.00 14.33 H new ATOM 0 HA PHE A 13 -9.976 -1.693 -6.137 1.00 54.30 H new ATOM 0 HB2 PHE A 13 -12.311 -1.894 -8.063 1.00 60.13 H new ATOM 0 HB3 PHE A 13 -10.638 -1.759 -8.567 1.00 60.13 H new ATOM 0 HD1 PHE A 13 -13.135 -3.960 -6.999 1.00 3.41 H new ATOM 0 HD2 PHE A 13 -9.122 -3.626 -8.379 1.00 75.25 H new ATOM 0 HE1 PHE A 13 -12.900 -6.400 -6.904 1.00 53.11 H new ATOM 0 HE2 PHE A 13 -8.888 -6.068 -8.286 1.00 71.34 H new ATOM 0 HZ PHE A 13 -10.777 -7.458 -7.544 1.00 31.44 H new ATOM 196 N ASP A 14 -9.892 0.647 -7.289 1.00 42.32 N ATOM 197 CA ASP A 14 -9.862 2.019 -7.766 1.00 11.40 C ATOM 198 C ASP A 14 -10.454 2.059 -9.183 1.00 65.40 C ATOM 199 O ASP A 14 -10.700 1.003 -9.784 1.00 33.43 O ATOM 200 CB ASP A 14 -8.423 2.566 -7.743 1.00 31.25 C ATOM 201 CG ASP A 14 -8.370 4.079 -7.647 1.00 51.31 C ATOM 202 OD1 ASP A 14 -8.416 4.605 -6.517 1.00 51.32 O ATOM 203 OD2 ASP A 14 -8.321 4.746 -8.700 1.00 35.24 O ATOM 0 H ASP A 14 -9.010 0.145 -7.388 1.00 42.32 H new ATOM 0 HA ASP A 14 -10.459 2.655 -7.112 1.00 11.40 H new ATOM 0 HB2 ASP A 14 -7.889 2.134 -6.897 1.00 31.25 H new ATOM 0 HB3 ASP A 14 -7.903 2.245 -8.646 1.00 31.25 H new ATOM 208 N GLU A 15 -10.661 3.263 -9.713 1.00 1.35 N ATOM 209 CA GLU A 15 -11.347 3.472 -10.993 1.00 63.50 C ATOM 210 C GLU A 15 -10.562 2.901 -12.180 1.00 33.32 C ATOM 211 O GLU A 15 -11.166 2.382 -13.118 1.00 3.34 O ATOM 212 CB GLU A 15 -11.608 4.957 -11.214 1.00 65.41 C ATOM 213 CG GLU A 15 -12.498 5.593 -10.158 1.00 61.11 C ATOM 214 CD GLU A 15 -12.722 7.064 -10.417 1.00 71.11 C ATOM 215 OE1 GLU A 15 -11.738 7.823 -10.401 1.00 23.21 O ATOM 216 OE2 GLU A 15 -13.879 7.466 -10.646 1.00 41.00 O ATOM 0 H GLU A 15 -10.357 4.128 -9.266 1.00 1.35 H new ATOM 0 HA GLU A 15 -12.293 2.934 -10.938 1.00 63.50 H new ATOM 0 HB2 GLU A 15 -10.654 5.484 -11.235 1.00 65.41 H new ATOM 0 HB3 GLU A 15 -12.069 5.093 -12.192 1.00 65.41 H new ATOM 0 HG2 GLU A 15 -13.459 5.079 -10.136 1.00 61.11 H new ATOM 0 HG3 GLU A 15 -12.044 5.463 -9.175 1.00 61.11 H new ATOM 223 N SER A 16 -9.225 2.953 -12.106 1.00 62.34 N ATOM 224 CA SER A 16 -8.369 2.428 -13.178 1.00 64.41 C ATOM 225 C SER A 16 -8.117 0.912 -13.046 1.00 25.43 C ATOM 226 O SER A 16 -7.329 0.336 -13.809 1.00 72.42 O ATOM 227 CB SER A 16 -7.055 3.208 -13.231 1.00 41.03 C ATOM 228 OG SER A 16 -7.308 4.589 -13.455 1.00 43.40 O ATOM 0 H SER A 16 -8.715 3.352 -11.318 1.00 62.34 H new ATOM 0 HA SER A 16 -8.900 2.567 -14.120 1.00 64.41 H new ATOM 0 HB2 SER A 16 -6.510 3.078 -12.296 1.00 41.03 H new ATOM 0 HB3 SER A 16 -6.422 2.814 -14.026 1.00 41.03 H new ATOM 0 HG SER A 16 -6.458 5.077 -13.485 1.00 43.40 H new ATOM 234 N GLY A 17 -8.814 0.269 -12.099 1.00 3.22 N ATOM 235 CA GLY A 17 -8.873 -1.180 -12.052 1.00 72.14 C ATOM 236 C GLY A 17 -7.788 -1.797 -11.207 1.00 3.30 C ATOM 237 O GLY A 17 -7.227 -2.828 -11.580 1.00 22.13 O ATOM 0 H GLY A 17 -9.340 0.737 -11.361 1.00 3.22 H new ATOM 0 HA2 GLY A 17 -9.844 -1.484 -11.662 1.00 72.14 H new ATOM 0 HA3 GLY A 17 -8.800 -1.572 -13.066 1.00 72.14 H new ATOM 241 N TRP A 18 -7.482 -1.164 -10.078 1.00 3.52 N ATOM 242 CA TRP A 18 -6.430 -1.649 -9.191 1.00 15.33 C ATOM 243 C TRP A 18 -6.875 -1.627 -7.734 1.00 23.45 C ATOM 244 O TRP A 18 -7.246 -0.585 -7.206 1.00 1.34 O ATOM 245 CB TRP A 18 -5.153 -0.815 -9.349 1.00 43.23 C ATOM 246 CG TRP A 18 -4.445 -0.984 -10.664 1.00 74.54 C ATOM 247 CD1 TRP A 18 -4.326 -0.065 -11.665 1.00 71.33 C ATOM 248 CD2 TRP A 18 -3.780 -2.160 -11.123 1.00 73.32 C ATOM 249 NE1 TRP A 18 -3.586 -0.591 -12.695 1.00 74.32 N ATOM 250 CE2 TRP A 18 -3.253 -1.878 -12.389 1.00 54.23 C ATOM 251 CE3 TRP A 18 -3.568 -3.420 -10.583 1.00 30.15 C ATOM 252 CZ2 TRP A 18 -2.532 -2.813 -13.113 1.00 14.12 C ATOM 253 CZ3 TRP A 18 -2.859 -4.345 -11.306 1.00 1.24 C ATOM 254 CH2 TRP A 18 -2.346 -4.037 -12.558 1.00 33.21 C ATOM 0 H TRP A 18 -7.947 -0.315 -9.756 1.00 3.52 H new ATOM 0 HA TRP A 18 -6.221 -2.680 -9.475 1.00 15.33 H new ATOM 0 HB2 TRP A 18 -5.406 0.238 -9.222 1.00 43.23 H new ATOM 0 HB3 TRP A 18 -4.464 -1.077 -8.546 1.00 43.23 H new ATOM 0 HD1 TRP A 18 -4.750 0.928 -11.650 1.00 71.33 H new ATOM 0 HE1 TRP A 18 -3.327 -0.099 -13.550 1.00 74.32 H new ATOM 0 HE3 TRP A 18 -3.956 -3.669 -9.606 1.00 30.15 H new ATOM 0 HZ2 TRP A 18 -2.131 -2.576 -14.087 1.00 14.12 H new ATOM 0 HZ3 TRP A 18 -2.697 -5.330 -10.894 1.00 1.24 H new ATOM 0 HH2 TRP A 18 -1.788 -4.786 -13.101 1.00 33.21 H new ATOM 265 N LYS A 19 -6.846 -2.788 -7.097 1.00 4.44 N ATOM 266 CA LYS A 19 -7.104 -2.891 -5.668 1.00 14.14 C ATOM 267 C LYS A 19 -5.806 -2.664 -4.913 1.00 22.35 C ATOM 268 O LYS A 19 -4.862 -3.431 -5.075 1.00 0.43 O ATOM 269 CB LYS A 19 -7.678 -4.267 -5.305 1.00 73.04 C ATOM 270 CG LYS A 19 -7.994 -4.415 -3.831 1.00 63.41 C ATOM 271 CD LYS A 19 -8.493 -5.797 -3.482 1.00 11.32 C ATOM 272 CE LYS A 19 -9.918 -6.024 -3.938 1.00 71.35 C ATOM 273 NZ LYS A 19 -10.463 -7.272 -3.356 1.00 30.14 N ATOM 0 H LYS A 19 -6.645 -3.679 -7.551 1.00 4.44 H new ATOM 0 HA LYS A 19 -7.839 -2.135 -5.391 1.00 14.14 H new ATOM 0 HB2 LYS A 19 -8.586 -4.438 -5.883 1.00 73.04 H new ATOM 0 HB3 LYS A 19 -6.965 -5.039 -5.596 1.00 73.04 H new ATOM 0 HG2 LYS A 19 -7.100 -4.197 -3.247 1.00 63.41 H new ATOM 0 HG3 LYS A 19 -8.746 -3.679 -3.548 1.00 63.41 H new ATOM 0 HD2 LYS A 19 -7.844 -6.542 -3.941 1.00 11.32 H new ATOM 0 HD3 LYS A 19 -8.431 -5.942 -2.403 1.00 11.32 H new ATOM 0 HE2 LYS A 19 -10.539 -5.178 -3.642 1.00 71.35 H new ATOM 0 HE3 LYS A 19 -9.952 -6.079 -5.026 1.00 71.35 H new ATOM 0 HZ1 LYS A 19 -11.031 -7.769 -4.071 1.00 30.14 H new ATOM 0 HZ2 LYS A 19 -9.679 -7.883 -3.050 1.00 30.14 H new ATOM 0 HZ3 LYS A 19 -11.062 -7.041 -2.538 1.00 30.14 H new ATOM 287 N ASP A 20 -5.770 -1.620 -4.093 1.00 4.24 N ATOM 288 CA ASP A 20 -4.563 -1.256 -3.353 1.00 12.35 C ATOM 289 C ASP A 20 -4.258 -2.273 -2.260 1.00 41.42 C ATOM 290 O ASP A 20 -5.127 -2.623 -1.458 1.00 73.32 O ATOM 291 CB ASP A 20 -4.721 0.132 -2.731 1.00 22.13 C ATOM 292 CG ASP A 20 -4.902 1.219 -3.767 1.00 11.22 C ATOM 293 OD1 ASP A 20 -3.936 1.511 -4.493 1.00 52.40 O ATOM 294 OD2 ASP A 20 -6.015 1.781 -3.843 1.00 23.00 O ATOM 0 H ASP A 20 -6.567 -1.006 -3.922 1.00 4.24 H new ATOM 0 HA ASP A 20 -3.732 -1.246 -4.058 1.00 12.35 H new ATOM 0 HB2 ASP A 20 -5.580 0.129 -2.060 1.00 22.13 H new ATOM 0 HB3 ASP A 20 -3.843 0.356 -2.125 1.00 22.13 H new ATOM 299 N THR A 21 -3.022 -2.762 -2.250 1.00 53.55 N ATOM 300 CA THR A 21 -2.585 -3.739 -1.258 1.00 53.11 C ATOM 301 C THR A 21 -1.303 -3.260 -0.604 1.00 12.02 C ATOM 302 O THR A 21 -0.473 -2.595 -1.243 1.00 71.03 O ATOM 303 CB THR A 21 -2.346 -5.163 -1.844 1.00 61.42 C ATOM 304 OG1 THR A 21 -1.244 -5.168 -2.744 1.00 31.11 O ATOM 305 CG2 THR A 21 -3.567 -5.683 -2.571 1.00 15.34 C ATOM 0 H THR A 21 -2.302 -2.496 -2.921 1.00 53.55 H new ATOM 0 HA THR A 21 -3.395 -3.822 -0.534 1.00 53.11 H new ATOM 0 HB THR A 21 -2.132 -5.815 -0.997 1.00 61.42 H new ATOM 0 HG1 THR A 21 -1.302 -5.953 -3.327 1.00 31.11 H new ATOM 0 HG21 THR A 21 -3.360 -6.678 -2.965 1.00 15.34 H new ATOM 0 HG22 THR A 21 -4.408 -5.734 -1.879 1.00 15.34 H new ATOM 0 HG23 THR A 21 -3.814 -5.012 -3.393 1.00 15.34 H new ATOM 313 N VAL A 22 -1.143 -3.588 0.668 1.00 60.03 N ATOM 314 CA VAL A 22 0.024 -3.156 1.422 1.00 14.11 C ATOM 315 C VAL A 22 0.684 -4.362 2.074 1.00 72.50 C ATOM 316 O VAL A 22 0.094 -5.032 2.925 1.00 53.03 O ATOM 317 CB VAL A 22 -0.318 -2.066 2.486 1.00 61.33 C ATOM 318 CG1 VAL A 22 0.924 -1.639 3.258 1.00 41.53 C ATOM 319 CG2 VAL A 22 -0.949 -0.841 1.833 1.00 4.32 C ATOM 0 H VAL A 22 -1.806 -4.152 1.200 1.00 60.03 H new ATOM 0 HA VAL A 22 0.719 -2.693 0.722 1.00 14.11 H new ATOM 0 HB VAL A 22 -1.032 -2.510 3.180 1.00 61.33 H new ATOM 0 HG11 VAL A 22 0.653 -0.879 3.991 1.00 41.53 H new ATOM 0 HG12 VAL A 22 1.349 -2.502 3.770 1.00 41.53 H new ATOM 0 HG13 VAL A 22 1.660 -1.229 2.566 1.00 41.53 H new ATOM 0 HG21 VAL A 22 -1.177 -0.098 2.597 1.00 4.32 H new ATOM 0 HG22 VAL A 22 -0.254 -0.416 1.109 1.00 4.32 H new ATOM 0 HG23 VAL A 22 -1.868 -1.132 1.325 1.00 4.32 H new ATOM 329 N THR A 23 1.899 -4.635 1.640 1.00 24.54 N ATOM 330 CA THR A 23 2.656 -5.768 2.117 1.00 51.14 C ATOM 331 C THR A 23 3.755 -5.311 3.090 1.00 31.35 C ATOM 332 O THR A 23 4.675 -4.623 2.709 1.00 11.11 O ATOM 333 CB THR A 23 3.286 -6.518 0.927 1.00 51.14 C ATOM 334 OG1 THR A 23 2.302 -6.756 -0.090 1.00 73.35 O ATOM 335 CG2 THR A 23 3.879 -7.837 1.367 1.00 3.13 C ATOM 0 H THR A 23 2.388 -4.073 0.944 1.00 24.54 H new ATOM 0 HA THR A 23 1.980 -6.440 2.647 1.00 51.14 H new ATOM 0 HB THR A 23 4.083 -5.892 0.525 1.00 51.14 H new ATOM 0 HG1 THR A 23 2.688 -6.563 -0.970 1.00 73.35 H new ATOM 0 HG21 THR A 23 4.316 -8.344 0.507 1.00 3.13 H new ATOM 0 HG22 THR A 23 4.652 -7.657 2.114 1.00 3.13 H new ATOM 0 HG23 THR A 23 3.097 -8.462 1.798 1.00 3.13 H new ATOM 343 N ILE A 24 3.644 -5.708 4.339 1.00 10.34 N ATOM 344 CA ILE A 24 4.600 -5.358 5.378 1.00 61.52 C ATOM 345 C ILE A 24 5.599 -6.506 5.565 1.00 44.15 C ATOM 346 O ILE A 24 5.206 -7.615 5.921 1.00 32.21 O ATOM 347 CB ILE A 24 3.861 -5.078 6.723 1.00 45.34 C ATOM 348 CG1 ILE A 24 2.737 -4.038 6.531 1.00 64.30 C ATOM 349 CG2 ILE A 24 4.828 -4.625 7.815 1.00 10.02 C ATOM 350 CD1 ILE A 24 3.211 -2.644 6.148 1.00 72.23 C ATOM 0 H ILE A 24 2.877 -6.292 4.671 1.00 10.34 H new ATOM 0 HA ILE A 24 5.134 -4.456 5.078 1.00 61.52 H new ATOM 0 HB ILE A 24 3.412 -6.017 7.046 1.00 45.34 H new ATOM 0 HG12 ILE A 24 2.056 -4.399 5.760 1.00 64.30 H new ATOM 0 HG13 ILE A 24 2.164 -3.970 7.456 1.00 64.30 H new ATOM 0 HG21 ILE A 24 4.276 -4.440 8.736 1.00 10.02 H new ATOM 0 HG22 ILE A 24 5.572 -5.403 7.988 1.00 10.02 H new ATOM 0 HG23 ILE A 24 5.328 -3.709 7.501 1.00 10.02 H new ATOM 0 HD11 ILE A 24 2.350 -1.985 6.036 1.00 72.23 H new ATOM 0 HD12 ILE A 24 3.866 -2.255 6.928 1.00 72.23 H new ATOM 0 HD13 ILE A 24 3.757 -2.691 5.206 1.00 72.23 H new ATOM 362 N GLU A 25 6.877 -6.244 5.309 1.00 33.14 N ATOM 363 CA GLU A 25 7.924 -7.235 5.544 1.00 21.45 C ATOM 364 C GLU A 25 8.558 -6.994 6.911 1.00 65.12 C ATOM 365 O GLU A 25 9.199 -5.965 7.156 1.00 44.44 O ATOM 366 CB GLU A 25 8.982 -7.204 4.424 1.00 63.34 C ATOM 367 CG GLU A 25 10.192 -8.100 4.682 1.00 33.11 C ATOM 368 CD GLU A 25 11.143 -8.182 3.505 1.00 4.30 C ATOM 369 OE1 GLU A 25 12.049 -7.342 3.426 1.00 74.11 O ATOM 370 OE2 GLU A 25 11.002 -9.091 2.669 1.00 62.43 O ATOM 0 H GLU A 25 7.213 -5.355 4.939 1.00 33.14 H new ATOM 0 HA GLU A 25 7.477 -8.229 5.535 1.00 21.45 H new ATOM 0 HB2 GLU A 25 8.513 -7.506 3.488 1.00 63.34 H new ATOM 0 HB3 GLU A 25 9.325 -6.178 4.292 1.00 63.34 H new ATOM 0 HG2 GLU A 25 10.733 -7.726 5.551 1.00 33.11 H new ATOM 0 HG3 GLU A 25 9.845 -9.103 4.930 1.00 33.11 H new ATOM 377 N VAL A 26 8.333 -7.945 7.800 1.00 43.22 N ATOM 378 CA VAL A 26 8.787 -7.854 9.177 1.00 41.21 C ATOM 379 C VAL A 26 9.935 -8.835 9.418 1.00 44.43 C ATOM 380 O VAL A 26 9.896 -9.983 8.977 1.00 72.43 O ATOM 381 CB VAL A 26 7.610 -8.115 10.170 1.00 12.40 C ATOM 382 CG1 VAL A 26 8.034 -7.954 11.622 1.00 71.31 C ATOM 383 CG2 VAL A 26 6.451 -7.181 9.873 1.00 54.43 C ATOM 0 H VAL A 26 7.828 -8.805 7.587 1.00 43.22 H new ATOM 0 HA VAL A 26 9.153 -6.843 9.356 1.00 41.21 H new ATOM 0 HB VAL A 26 7.297 -9.149 10.027 1.00 12.40 H new ATOM 0 HG11 VAL A 26 7.181 -8.146 12.273 1.00 71.31 H new ATOM 0 HG12 VAL A 26 8.831 -8.663 11.849 1.00 71.31 H new ATOM 0 HG13 VAL A 26 8.394 -6.938 11.785 1.00 71.31 H new ATOM 0 HG21 VAL A 26 5.639 -7.375 10.573 1.00 54.43 H new ATOM 0 HG22 VAL A 26 6.781 -6.147 9.977 1.00 54.43 H new ATOM 0 HG23 VAL A 26 6.100 -7.349 8.855 1.00 54.43 H new ATOM 393 N LYS A 27 10.965 -8.344 10.082 1.00 4.31 N ATOM 394 CA LYS A 27 12.127 -9.126 10.460 1.00 55.42 C ATOM 395 C LYS A 27 12.662 -8.546 11.765 1.00 44.34 C ATOM 396 O LYS A 27 12.755 -7.323 11.886 1.00 0.21 O ATOM 397 CB LYS A 27 13.174 -9.055 9.342 1.00 54.21 C ATOM 398 CG LYS A 27 14.466 -9.803 9.612 1.00 64.31 C ATOM 399 CD LYS A 27 15.462 -9.573 8.487 1.00 42.43 C ATOM 400 CE LYS A 27 16.777 -10.303 8.723 1.00 34.02 C ATOM 401 NZ LYS A 27 16.622 -11.784 8.691 1.00 12.44 N ATOM 0 H LYS A 27 11.018 -7.370 10.380 1.00 4.31 H new ATOM 0 HA LYS A 27 11.874 -10.176 10.606 1.00 55.42 H new ATOM 0 HB2 LYS A 27 12.731 -9.448 8.427 1.00 54.21 H new ATOM 0 HB3 LYS A 27 13.412 -8.008 9.157 1.00 54.21 H new ATOM 0 HG2 LYS A 27 14.894 -9.471 10.558 1.00 64.31 H new ATOM 0 HG3 LYS A 27 14.261 -10.869 9.712 1.00 64.31 H new ATOM 0 HD2 LYS A 27 15.027 -9.908 7.545 1.00 42.43 H new ATOM 0 HD3 LYS A 27 15.654 -8.505 8.388 1.00 42.43 H new ATOM 0 HE2 LYS A 27 17.498 -10.000 7.964 1.00 34.02 H new ATOM 0 HE3 LYS A 27 17.186 -10.005 9.688 1.00 34.02 H new ATOM 0 HZ1 LYS A 27 17.558 -12.232 8.755 1.00 12.44 H new ATOM 0 HZ2 LYS A 27 16.036 -12.089 9.494 1.00 12.44 H new ATOM 0 HZ3 LYS A 27 16.163 -12.066 7.801 1.00 12.44 H new ATOM 415 N ASN A 28 12.952 -9.433 12.744 1.00 14.33 N ATOM 416 CA ASN A 28 13.427 -9.060 14.107 1.00 13.24 C ATOM 417 C ASN A 28 12.332 -8.356 14.922 1.00 71.21 C ATOM 418 O ASN A 28 12.623 -7.647 15.887 1.00 74.14 O ATOM 419 CB ASN A 28 14.696 -8.175 14.061 1.00 63.53 C ATOM 420 CG ASN A 28 15.902 -8.886 13.493 1.00 73.42 C ATOM 421 OD1 ASN A 28 16.083 -10.082 13.691 1.00 42.33 O ATOM 422 ND2 ASN A 28 16.726 -8.155 12.765 1.00 13.22 N ATOM 0 H ASN A 28 12.864 -10.441 12.614 1.00 14.33 H new ATOM 0 HA ASN A 28 13.681 -9.997 14.603 1.00 13.24 H new ATOM 0 HB2 ASN A 28 14.490 -7.288 13.461 1.00 63.53 H new ATOM 0 HB3 ASN A 28 14.927 -7.831 15.069 1.00 63.53 H new ATOM 0 HD21 ASN A 28 17.550 -8.583 12.343 1.00 13.22 H new ATOM 0 HD22 ASN A 28 16.539 -7.162 12.625 1.00 13.22 H new ATOM 429 N GLY A 29 11.070 -8.578 14.533 1.00 14.11 N ATOM 430 CA GLY A 29 9.947 -7.923 15.186 1.00 12.53 C ATOM 431 C GLY A 29 9.624 -6.540 14.635 1.00 62.13 C ATOM 432 O GLY A 29 8.601 -5.960 14.995 1.00 70.11 O ATOM 0 H GLY A 29 10.809 -9.205 13.772 1.00 14.11 H new ATOM 0 HA2 GLY A 29 9.065 -8.556 15.088 1.00 12.53 H new ATOM 0 HA3 GLY A 29 10.161 -7.837 16.251 1.00 12.53 H new ATOM 436 N LYS A 30 10.475 -6.015 13.757 1.00 53.13 N ATOM 437 CA LYS A 30 10.300 -4.666 13.240 1.00 41.10 C ATOM 438 C LYS A 30 10.071 -4.690 11.730 1.00 74.42 C ATOM 439 O LYS A 30 10.386 -5.673 11.064 1.00 5.11 O ATOM 440 CB LYS A 30 11.526 -3.801 13.584 1.00 12.31 C ATOM 441 CG LYS A 30 12.785 -4.164 12.805 1.00 72.41 C ATOM 442 CD LYS A 30 13.975 -3.322 13.207 1.00 71.14 C ATOM 443 CE LYS A 30 14.571 -3.781 14.523 1.00 32.23 C ATOM 444 NZ LYS A 30 15.818 -3.045 14.838 1.00 64.12 N ATOM 0 H LYS A 30 11.291 -6.505 13.391 1.00 53.13 H new ATOM 0 HA LYS A 30 9.419 -4.229 13.711 1.00 41.10 H new ATOM 0 HB2 LYS A 30 11.284 -2.755 13.394 1.00 12.31 H new ATOM 0 HB3 LYS A 30 11.733 -3.892 14.650 1.00 12.31 H new ATOM 0 HG2 LYS A 30 13.017 -5.217 12.966 1.00 72.41 H new ATOM 0 HG3 LYS A 30 12.598 -4.038 11.739 1.00 72.41 H new ATOM 0 HD2 LYS A 30 14.735 -3.371 12.427 1.00 71.14 H new ATOM 0 HD3 LYS A 30 13.671 -2.279 13.290 1.00 71.14 H new ATOM 0 HE2 LYS A 30 13.847 -3.632 15.324 1.00 32.23 H new ATOM 0 HE3 LYS A 30 14.779 -4.850 14.477 1.00 32.23 H new ATOM 0 HZ1 LYS A 30 16.201 -3.382 15.744 1.00 64.12 H new ATOM 0 HZ2 LYS A 30 16.517 -3.208 14.085 1.00 64.12 H new ATOM 0 HZ3 LYS A 30 15.613 -2.028 14.906 1.00 64.12 H new ATOM 458 N ILE A 31 9.530 -3.606 11.196 1.00 50.14 N ATOM 459 CA ILE A 31 9.338 -3.480 9.758 1.00 50.43 C ATOM 460 C ILE A 31 10.666 -3.114 9.097 1.00 2.44 C ATOM 461 O ILE A 31 11.187 -2.022 9.295 1.00 23.43 O ATOM 462 CB ILE A 31 8.284 -2.400 9.416 1.00 64.31 C ATOM 463 CG1 ILE A 31 6.991 -2.626 10.217 1.00 72.11 C ATOM 464 CG2 ILE A 31 7.995 -2.409 7.916 1.00 30.53 C ATOM 465 CD1 ILE A 31 6.000 -1.485 10.114 1.00 33.02 C ATOM 0 H ILE A 31 9.216 -2.800 11.736 1.00 50.14 H new ATOM 0 HA ILE A 31 8.978 -4.438 9.382 1.00 50.43 H new ATOM 0 HB ILE A 31 8.684 -1.424 9.691 1.00 64.31 H new ATOM 0 HG12 ILE A 31 6.514 -3.542 9.868 1.00 72.11 H new ATOM 0 HG13 ILE A 31 7.246 -2.779 11.265 1.00 72.11 H new ATOM 0 HG21 ILE A 31 7.252 -1.646 7.684 1.00 30.53 H new ATOM 0 HG22 ILE A 31 8.913 -2.200 7.367 1.00 30.53 H new ATOM 0 HG23 ILE A 31 7.613 -3.388 7.625 1.00 30.53 H new ATOM 0 HD11 ILE A 31 5.114 -1.718 10.705 1.00 33.02 H new ATOM 0 HD12 ILE A 31 6.458 -0.570 10.491 1.00 33.02 H new ATOM 0 HD13 ILE A 31 5.714 -1.345 9.072 1.00 33.02 H new ATOM 477 N VAL A 32 11.208 -4.026 8.312 1.00 34.30 N ATOM 478 CA VAL A 32 12.482 -3.784 7.649 1.00 32.22 C ATOM 479 C VAL A 32 12.277 -3.288 6.219 1.00 63.51 C ATOM 480 O VAL A 32 13.161 -2.640 5.653 1.00 42.21 O ATOM 481 CB VAL A 32 13.403 -5.035 7.660 1.00 62.52 C ATOM 482 CG1 VAL A 32 13.839 -5.359 9.080 1.00 72.42 C ATOM 483 CG2 VAL A 32 12.724 -6.246 7.026 1.00 43.32 C ATOM 0 H VAL A 32 10.792 -4.936 8.117 1.00 34.30 H new ATOM 0 HA VAL A 32 12.984 -3.004 8.221 1.00 32.22 H new ATOM 0 HB VAL A 32 14.283 -4.799 7.061 1.00 62.52 H new ATOM 0 HG11 VAL A 32 14.484 -6.238 9.071 1.00 72.42 H new ATOM 0 HG12 VAL A 32 14.386 -4.512 9.495 1.00 72.42 H new ATOM 0 HG13 VAL A 32 12.961 -5.560 9.693 1.00 72.42 H new ATOM 0 HG21 VAL A 32 13.402 -7.099 7.054 1.00 43.32 H new ATOM 0 HG22 VAL A 32 11.816 -6.485 7.580 1.00 43.32 H new ATOM 0 HG23 VAL A 32 12.468 -6.019 5.991 1.00 43.32 H new ATOM 493 N SER A 33 11.098 -3.568 5.660 1.00 35.02 N ATOM 494 CA SER A 33 10.786 -3.212 4.287 1.00 71.33 C ATOM 495 C SER A 33 9.277 -3.274 4.088 1.00 60.40 C ATOM 496 O SER A 33 8.561 -3.830 4.918 1.00 43.33 O ATOM 497 CB SER A 33 11.502 -4.163 3.313 1.00 74.10 C ATOM 498 OG SER A 33 11.482 -3.681 1.978 1.00 71.14 O ATOM 0 H SER A 33 10.341 -4.046 6.149 1.00 35.02 H new ATOM 0 HA SER A 33 11.134 -2.199 4.084 1.00 71.33 H new ATOM 0 HB2 SER A 33 12.535 -4.297 3.633 1.00 74.10 H new ATOM 0 HB3 SER A 33 11.027 -5.143 3.350 1.00 74.10 H new ATOM 0 HG SER A 33 12.140 -4.172 1.443 1.00 71.14 H new ATOM 504 N VAL A 34 8.799 -2.687 3.004 1.00 20.34 N ATOM 505 CA VAL A 34 7.376 -2.660 2.698 1.00 73.04 C ATOM 506 C VAL A 34 7.160 -2.600 1.174 1.00 70.32 C ATOM 507 O VAL A 34 7.828 -1.865 0.451 1.00 25.02 O ATOM 508 CB VAL A 34 6.647 -1.504 3.466 1.00 41.34 C ATOM 509 CG1 VAL A 34 7.335 -0.191 3.237 1.00 30.50 C ATOM 510 CG2 VAL A 34 5.172 -1.385 3.097 1.00 3.35 C ATOM 0 H VAL A 34 9.383 -2.217 2.312 1.00 20.34 H new ATOM 0 HA VAL A 34 6.921 -3.586 3.051 1.00 73.04 H new ATOM 0 HB VAL A 34 6.699 -1.762 4.524 1.00 41.34 H new ATOM 0 HG11 VAL A 34 6.810 0.595 3.780 1.00 30.50 H new ATOM 0 HG12 VAL A 34 8.364 -0.252 3.592 1.00 30.50 H new ATOM 0 HG13 VAL A 34 7.332 0.040 2.172 1.00 30.50 H new ATOM 0 HG21 VAL A 34 4.721 -0.568 3.660 1.00 3.35 H new ATOM 0 HG22 VAL A 34 5.079 -1.185 2.030 1.00 3.35 H new ATOM 0 HG23 VAL A 34 4.661 -2.317 3.337 1.00 3.35 H new ATOM 520 N ASP A 35 6.228 -3.411 0.725 1.00 11.20 N ATOM 521 CA ASP A 35 5.931 -3.623 -0.679 1.00 3.11 C ATOM 522 C ASP A 35 4.594 -2.984 -1.031 1.00 33.10 C ATOM 523 O ASP A 35 3.572 -3.255 -0.397 1.00 12.52 O ATOM 524 CB ASP A 35 5.909 -5.139 -0.955 1.00 71.10 C ATOM 525 CG ASP A 35 5.450 -5.520 -2.353 1.00 64.12 C ATOM 526 OD1 ASP A 35 6.285 -5.507 -3.274 1.00 60.13 O ATOM 527 OD2 ASP A 35 4.266 -5.881 -2.518 1.00 20.03 O ATOM 0 H ASP A 35 5.635 -3.961 1.346 1.00 11.20 H new ATOM 0 HA ASP A 35 6.696 -3.157 -1.300 1.00 3.11 H new ATOM 0 HB2 ASP A 35 6.910 -5.539 -0.794 1.00 71.10 H new ATOM 0 HB3 ASP A 35 5.253 -5.618 -0.228 1.00 71.10 H new ATOM 532 N TRP A 36 4.625 -2.103 -2.013 1.00 50.33 N ATOM 533 CA TRP A 36 3.412 -1.538 -2.572 1.00 1.33 C ATOM 534 C TRP A 36 3.016 -2.306 -3.824 1.00 23.11 C ATOM 535 O TRP A 36 3.829 -2.525 -4.726 1.00 55.41 O ATOM 536 CB TRP A 36 3.556 -0.028 -2.851 1.00 32.10 C ATOM 537 CG TRP A 36 4.904 0.411 -3.369 1.00 52.03 C ATOM 538 CD1 TRP A 36 5.968 0.802 -2.613 1.00 71.42 C ATOM 539 CD2 TRP A 36 5.326 0.523 -4.738 1.00 51.12 C ATOM 540 NE1 TRP A 36 7.027 1.133 -3.416 1.00 23.30 N ATOM 541 CE2 TRP A 36 6.659 0.974 -4.723 1.00 42.12 C ATOM 542 CE3 TRP A 36 4.715 0.279 -5.975 1.00 34.42 C ATOM 543 CZ2 TRP A 36 7.387 1.185 -5.888 1.00 24.34 C ATOM 544 CZ3 TRP A 36 5.440 0.493 -7.130 1.00 14.53 C ATOM 545 CH2 TRP A 36 6.763 0.942 -7.080 1.00 25.14 C ATOM 0 H TRP A 36 5.485 -1.761 -2.443 1.00 50.33 H new ATOM 0 HA TRP A 36 2.615 -1.639 -1.836 1.00 1.33 H new ATOM 0 HB2 TRP A 36 2.795 0.264 -3.575 1.00 32.10 H new ATOM 0 HB3 TRP A 36 3.345 0.516 -1.930 1.00 32.10 H new ATOM 0 HD1 TRP A 36 5.975 0.845 -1.534 1.00 71.42 H new ATOM 0 HE1 TRP A 36 7.942 1.447 -3.092 1.00 23.30 H new ATOM 0 HE3 TRP A 36 3.694 -0.071 -6.024 1.00 34.42 H new ATOM 0 HZ2 TRP A 36 8.410 1.529 -5.853 1.00 24.34 H new ATOM 0 HZ3 TRP A 36 4.977 0.310 -8.089 1.00 14.53 H new ATOM 0 HH2 TRP A 36 7.303 1.100 -8.002 1.00 25.14 H new ATOM 556 N ASN A 37 1.769 -2.734 -3.866 1.00 34.23 N ATOM 557 CA ASN A 37 1.299 -3.609 -4.923 1.00 61.11 C ATOM 558 C ASN A 37 -0.188 -3.365 -5.149 1.00 60.50 C ATOM 559 O ASN A 37 -0.840 -2.706 -4.330 1.00 52.55 O ATOM 560 CB ASN A 37 1.581 -5.066 -4.509 1.00 52.13 C ATOM 561 CG ASN A 37 1.965 -5.991 -5.655 1.00 61.35 C ATOM 562 OD1 ASN A 37 1.443 -5.911 -6.767 1.00 13.10 O ATOM 563 ND2 ASN A 37 2.906 -6.878 -5.381 1.00 71.33 N ATOM 0 H ASN A 37 1.059 -2.488 -3.176 1.00 34.23 H new ATOM 0 HA ASN A 37 1.817 -3.408 -5.861 1.00 61.11 H new ATOM 0 HB2 ASN A 37 2.384 -5.071 -3.772 1.00 52.13 H new ATOM 0 HB3 ASN A 37 0.695 -5.468 -4.018 1.00 52.13 H new ATOM 0 HD21 ASN A 37 3.222 -7.525 -6.103 1.00 71.33 H new ATOM 0 HD22 ASN A 37 3.316 -6.915 -4.448 1.00 71.33 H new ATOM 570 N ALA A 38 -0.717 -3.856 -6.262 1.00 4.44 N ATOM 571 CA ALA A 38 -2.132 -3.745 -6.569 1.00 60.24 C ATOM 572 C ALA A 38 -2.607 -4.949 -7.384 1.00 11.14 C ATOM 573 O ALA A 38 -1.825 -5.561 -8.117 1.00 41.14 O ATOM 574 CB ALA A 38 -2.409 -2.447 -7.315 1.00 1.44 C ATOM 0 H ALA A 38 -0.175 -4.342 -6.976 1.00 4.44 H new ATOM 0 HA ALA A 38 -2.689 -3.732 -5.632 1.00 60.24 H new ATOM 0 HB1 ALA A 38 -3.473 -2.376 -7.539 1.00 1.44 H new ATOM 0 HB2 ALA A 38 -2.111 -1.601 -6.696 1.00 1.44 H new ATOM 0 HB3 ALA A 38 -1.841 -2.433 -8.245 1.00 1.44 H new ATOM 580 N ILE A 39 -3.888 -5.284 -7.243 1.00 22.33 N ATOM 581 CA ILE A 39 -4.490 -6.423 -7.946 1.00 33.40 C ATOM 582 C ILE A 39 -5.399 -5.915 -9.064 1.00 53.51 C ATOM 583 O ILE A 39 -6.169 -4.978 -8.858 1.00 35.51 O ATOM 584 CB ILE A 39 -5.335 -7.316 -7.000 1.00 2.31 C ATOM 585 CG1 ILE A 39 -4.639 -7.502 -5.647 1.00 62.44 C ATOM 586 CG2 ILE A 39 -5.575 -8.677 -7.651 1.00 5.41 C ATOM 587 CD1 ILE A 39 -5.520 -8.135 -4.593 1.00 64.43 C ATOM 0 H ILE A 39 -4.538 -4.778 -6.642 1.00 22.33 H new ATOM 0 HA ILE A 39 -3.671 -7.021 -8.347 1.00 33.40 H new ATOM 0 HB ILE A 39 -6.290 -6.821 -6.826 1.00 2.31 H new ATOM 0 HG12 ILE A 39 -3.752 -8.120 -5.786 1.00 62.44 H new ATOM 0 HG13 ILE A 39 -4.297 -6.531 -5.287 1.00 62.44 H new ATOM 0 HG21 ILE A 39 -6.169 -9.300 -6.983 1.00 5.41 H new ATOM 0 HG22 ILE A 39 -6.110 -8.541 -8.591 1.00 5.41 H new ATOM 0 HG23 ILE A 39 -4.618 -9.162 -7.844 1.00 5.41 H new ATOM 0 HD11 ILE A 39 -4.960 -8.235 -3.663 1.00 64.43 H new ATOM 0 HD12 ILE A 39 -6.395 -7.507 -4.424 1.00 64.43 H new ATOM 0 HD13 ILE A 39 -5.841 -9.120 -4.931 1.00 64.43 H new ATOM 599 N ASN A 40 -5.313 -6.533 -10.236 1.00 25.31 N ATOM 600 CA ASN A 40 -6.039 -6.059 -11.412 1.00 23.31 C ATOM 601 C ASN A 40 -7.499 -6.528 -11.400 1.00 72.24 C ATOM 602 O ASN A 40 -7.786 -7.695 -11.136 1.00 72.42 O ATOM 603 CB ASN A 40 -5.307 -6.522 -12.677 1.00 12.24 C ATOM 604 CG ASN A 40 -5.840 -5.914 -13.953 1.00 53.13 C ATOM 605 OD1 ASN A 40 -6.652 -6.516 -14.629 1.00 11.24 O ATOM 606 ND2 ASN A 40 -5.394 -4.710 -14.281 1.00 31.00 N ATOM 0 H ASN A 40 -4.747 -7.366 -10.399 1.00 25.31 H new ATOM 0 HA ASN A 40 -6.065 -4.969 -11.397 1.00 23.31 H new ATOM 0 HB2 ASN A 40 -4.249 -6.275 -12.583 1.00 12.24 H new ATOM 0 HB3 ASN A 40 -5.376 -7.608 -12.747 1.00 12.24 H new ATOM 0 HD21 ASN A 40 -5.732 -4.254 -15.128 1.00 31.00 H new ATOM 0 HD22 ASN A 40 -4.712 -4.239 -13.686 1.00 31.00 H new ATOM 613 N LYS A 41 -8.397 -5.578 -11.697 1.00 73.34 N ATOM 614 CA LYS A 41 -9.859 -5.774 -11.672 1.00 65.33 C ATOM 615 C LYS A 41 -10.343 -6.749 -12.750 1.00 52.23 C ATOM 616 O LYS A 41 -11.281 -7.520 -12.520 1.00 51.31 O ATOM 617 CB LYS A 41 -10.544 -4.413 -11.857 1.00 50.55 C ATOM 618 CG LYS A 41 -12.065 -4.452 -11.860 1.00 21.54 C ATOM 619 CD LYS A 41 -12.639 -3.123 -12.304 1.00 2.41 C ATOM 620 CE LYS A 41 -14.133 -3.212 -12.543 1.00 61.10 C ATOM 621 NZ LYS A 41 -14.688 -1.918 -13.007 1.00 13.30 N ATOM 0 H LYS A 41 -8.125 -4.633 -11.967 1.00 73.34 H new ATOM 0 HA LYS A 41 -10.121 -6.213 -10.709 1.00 65.33 H new ATOM 0 HB2 LYS A 41 -10.215 -3.746 -11.060 1.00 50.55 H new ATOM 0 HB3 LYS A 41 -10.205 -3.978 -12.797 1.00 50.55 H new ATOM 0 HG2 LYS A 41 -12.411 -5.243 -12.526 1.00 21.54 H new ATOM 0 HG3 LYS A 41 -12.428 -4.694 -10.861 1.00 21.54 H new ATOM 0 HD2 LYS A 41 -12.436 -2.367 -11.546 1.00 2.41 H new ATOM 0 HD3 LYS A 41 -12.142 -2.799 -13.219 1.00 2.41 H new ATOM 0 HE2 LYS A 41 -14.338 -3.984 -13.285 1.00 61.10 H new ATOM 0 HE3 LYS A 41 -14.632 -3.514 -11.622 1.00 61.10 H new ATOM 0 HZ1 LYS A 41 -15.712 -2.015 -13.161 1.00 13.30 H new ATOM 0 HZ2 LYS A 41 -14.513 -1.187 -12.288 1.00 13.30 H new ATOM 0 HZ3 LYS A 41 -14.229 -1.643 -13.899 1.00 13.30 H new ATOM 635 N ASP A 42 -9.697 -6.705 -13.916 1.00 14.01 N ATOM 636 CA ASP A 42 -10.003 -7.602 -15.035 1.00 20.10 C ATOM 637 C ASP A 42 -9.663 -9.053 -14.676 1.00 62.41 C ATOM 638 O ASP A 42 -10.372 -9.983 -15.069 1.00 72.43 O ATOM 639 CB ASP A 42 -9.231 -7.134 -16.282 1.00 12.33 C ATOM 640 CG ASP A 42 -9.255 -8.119 -17.431 1.00 1.22 C ATOM 641 OD1 ASP A 42 -10.195 -8.071 -18.243 1.00 70.24 O ATOM 642 OD2 ASP A 42 -8.317 -8.932 -17.536 1.00 53.30 O ATOM 0 H ASP A 42 -8.945 -6.045 -14.113 1.00 14.01 H new ATOM 0 HA ASP A 42 -11.071 -7.567 -15.250 1.00 20.10 H new ATOM 0 HB2 ASP A 42 -9.650 -6.187 -16.621 1.00 12.33 H new ATOM 0 HB3 ASP A 42 -8.195 -6.942 -16.004 1.00 12.33 H new ATOM 647 N GLY A 43 -8.595 -9.230 -13.906 1.00 25.22 N ATOM 648 CA GLY A 43 -8.244 -10.546 -13.430 1.00 12.12 C ATOM 649 C GLY A 43 -7.171 -11.201 -14.266 1.00 45.32 C ATOM 650 O GLY A 43 -7.163 -12.426 -14.415 1.00 44.54 O ATOM 0 H GLY A 43 -7.969 -8.483 -13.605 1.00 25.22 H new ATOM 0 HA2 GLY A 43 -7.902 -10.475 -12.398 1.00 12.12 H new ATOM 0 HA3 GLY A 43 -9.133 -11.176 -13.428 1.00 12.12 H new ATOM 654 N GLY A 44 -6.275 -10.388 -14.821 1.00 64.24 N ATOM 655 CA GLY A 44 -5.109 -10.914 -15.501 1.00 65.03 C ATOM 656 C GLY A 44 -4.065 -11.388 -14.518 1.00 64.11 C ATOM 657 O GLY A 44 -4.063 -12.551 -14.117 1.00 64.23 O ATOM 0 H GLY A 44 -6.339 -9.370 -14.810 1.00 64.24 H new ATOM 0 HA2 GLY A 44 -5.405 -11.741 -16.147 1.00 65.03 H new ATOM 0 HA3 GLY A 44 -4.683 -10.144 -16.144 1.00 65.03 H new ATOM 661 N ASP A 45 -3.174 -10.488 -14.142 1.00 62.35 N ATOM 662 CA ASP A 45 -2.205 -10.750 -13.077 1.00 75.12 C ATOM 663 C ASP A 45 -2.249 -9.623 -12.053 1.00 72.24 C ATOM 664 O ASP A 45 -3.211 -8.857 -12.013 1.00 1.44 O ATOM 665 CB ASP A 45 -0.783 -10.872 -13.650 1.00 61.22 C ATOM 666 CG ASP A 45 -0.612 -12.046 -14.581 1.00 22.10 C ATOM 667 OD1 ASP A 45 -0.485 -13.186 -14.092 1.00 41.43 O ATOM 668 OD2 ASP A 45 -0.604 -11.833 -15.809 1.00 32.40 O ATOM 0 H ASP A 45 -3.096 -9.560 -14.558 1.00 62.35 H new ATOM 0 HA ASP A 45 -2.467 -11.693 -12.596 1.00 75.12 H new ATOM 0 HB2 ASP A 45 -0.534 -9.955 -14.184 1.00 61.22 H new ATOM 0 HB3 ASP A 45 -0.074 -10.964 -12.827 1.00 61.22 H new ATOM 673 N ASP A 46 -1.214 -9.532 -11.221 1.00 45.41 N ATOM 674 CA ASP A 46 -1.022 -8.372 -10.348 1.00 25.43 C ATOM 675 C ASP A 46 -0.222 -7.333 -11.118 1.00 64.50 C ATOM 676 O ASP A 46 0.203 -7.605 -12.239 1.00 54.43 O ATOM 677 CB ASP A 46 -0.279 -8.760 -9.065 1.00 21.22 C ATOM 678 CG ASP A 46 -1.066 -9.728 -8.219 1.00 43.24 C ATOM 679 OD1 ASP A 46 -1.952 -9.279 -7.470 1.00 41.51 O ATOM 680 OD2 ASP A 46 -0.800 -10.946 -8.299 1.00 51.51 O ATOM 0 H ASP A 46 -0.493 -10.248 -11.132 1.00 45.41 H new ATOM 0 HA ASP A 46 -1.993 -7.972 -10.055 1.00 25.43 H new ATOM 0 HB2 ASP A 46 0.681 -9.205 -9.324 1.00 21.22 H new ATOM 0 HB3 ASP A 46 -0.068 -7.862 -8.484 1.00 21.22 H new ATOM 685 N LYS A 47 0.016 -6.159 -10.527 1.00 2.32 N ATOM 686 CA LYS A 47 0.753 -5.095 -11.228 1.00 33.31 C ATOM 687 C LYS A 47 2.230 -5.438 -11.415 1.00 23.44 C ATOM 688 O LYS A 47 2.878 -4.901 -12.312 1.00 62.25 O ATOM 689 CB LYS A 47 0.555 -3.710 -10.564 1.00 11.43 C ATOM 690 CG LYS A 47 0.908 -3.583 -9.083 1.00 53.12 C ATOM 691 CD LYS A 47 2.387 -3.321 -8.835 1.00 61.51 C ATOM 692 CE LYS A 47 2.873 -2.092 -9.580 1.00 70.21 C ATOM 693 NZ LYS A 47 4.318 -1.849 -9.344 1.00 21.14 N ATOM 0 H LYS A 47 -0.283 -5.920 -9.582 1.00 2.32 H new ATOM 0 HA LYS A 47 0.321 -5.027 -12.227 1.00 33.31 H new ATOM 0 HB2 LYS A 47 1.152 -2.984 -11.116 1.00 11.43 H new ATOM 0 HB3 LYS A 47 -0.490 -3.424 -10.687 1.00 11.43 H new ATOM 0 HG2 LYS A 47 0.325 -2.772 -8.646 1.00 53.12 H new ATOM 0 HG3 LYS A 47 0.617 -4.499 -8.568 1.00 53.12 H new ATOM 0 HD2 LYS A 47 2.559 -3.190 -7.767 1.00 61.51 H new ATOM 0 HD3 LYS A 47 2.968 -4.189 -9.148 1.00 61.51 H new ATOM 0 HE2 LYS A 47 2.694 -2.218 -10.648 1.00 70.21 H new ATOM 0 HE3 LYS A 47 2.300 -1.222 -9.261 1.00 70.21 H new ATOM 0 HZ1 LYS A 47 4.672 -1.160 -10.038 1.00 21.14 H new ATOM 0 HZ2 LYS A 47 4.455 -1.474 -8.384 1.00 21.14 H new ATOM 0 HZ3 LYS A 47 4.841 -2.742 -9.445 1.00 21.14 H new ATOM 707 N ASP A 48 2.746 -6.329 -10.566 1.00 23.22 N ATOM 708 CA ASP A 48 4.102 -6.841 -10.704 1.00 3.13 C ATOM 709 C ASP A 48 4.198 -7.792 -11.896 1.00 0.42 C ATOM 710 O ASP A 48 4.994 -7.568 -12.799 1.00 40.51 O ATOM 711 CB ASP A 48 4.526 -7.567 -9.424 1.00 74.43 C ATOM 712 CG ASP A 48 5.994 -7.961 -9.430 1.00 33.30 C ATOM 713 OD1 ASP A 48 6.329 -9.066 -9.907 1.00 3.23 O ATOM 714 OD2 ASP A 48 6.820 -7.157 -8.961 1.00 33.31 O ATOM 0 H ASP A 48 2.236 -6.711 -9.770 1.00 23.22 H new ATOM 0 HA ASP A 48 4.772 -5.998 -10.874 1.00 3.13 H new ATOM 0 HB2 ASP A 48 4.330 -6.925 -8.565 1.00 74.43 H new ATOM 0 HB3 ASP A 48 3.915 -8.461 -9.299 1.00 74.43 H new ATOM 719 N THR A 49 3.341 -8.820 -11.897 1.00 25.44 N ATOM 720 CA THR A 49 3.397 -9.907 -12.881 1.00 12.24 C ATOM 721 C THR A 49 2.967 -9.453 -14.289 1.00 51.33 C ATOM 722 O THR A 49 3.464 -9.978 -15.286 1.00 60.04 O ATOM 723 CB THR A 49 2.525 -11.091 -12.418 1.00 62.42 C ATOM 724 OG1 THR A 49 2.656 -11.251 -11.000 1.00 14.22 O ATOM 725 CG2 THR A 49 2.942 -12.387 -13.104 1.00 30.02 C ATOM 0 H THR A 49 2.589 -8.921 -11.215 1.00 25.44 H new ATOM 0 HA THR A 49 4.438 -10.222 -12.948 1.00 12.24 H new ATOM 0 HB THR A 49 1.490 -10.876 -12.684 1.00 62.42 H new ATOM 0 HG1 THR A 49 2.101 -12.002 -10.703 1.00 14.22 H new ATOM 0 HG21 THR A 49 2.308 -13.203 -12.756 1.00 30.02 H new ATOM 0 HG22 THR A 49 2.834 -12.278 -14.183 1.00 30.02 H new ATOM 0 HG23 THR A 49 3.982 -12.608 -12.864 1.00 30.02 H new ATOM 733 N LEU A 50 2.071 -8.461 -14.361 1.00 32.32 N ATOM 734 CA LEU A 50 1.691 -7.851 -15.641 1.00 2.12 C ATOM 735 C LEU A 50 2.860 -7.094 -16.262 1.00 40.03 C ATOM 736 O LEU A 50 3.021 -7.101 -17.469 1.00 21.31 O ATOM 737 CB LEU A 50 0.484 -6.919 -15.496 1.00 34.11 C ATOM 738 CG LEU A 50 -0.869 -7.614 -15.349 1.00 70.43 C ATOM 739 CD1 LEU A 50 -1.959 -6.595 -15.087 1.00 51.34 C ATOM 740 CD2 LEU A 50 -1.199 -8.427 -16.593 1.00 43.45 C ATOM 0 H LEU A 50 1.597 -8.064 -13.550 1.00 32.32 H new ATOM 0 HA LEU A 50 1.409 -8.669 -16.304 1.00 2.12 H new ATOM 0 HB2 LEU A 50 0.642 -6.281 -14.626 1.00 34.11 H new ATOM 0 HB3 LEU A 50 0.445 -6.266 -16.368 1.00 34.11 H new ATOM 0 HG LEU A 50 -0.811 -8.295 -14.500 1.00 70.43 H new ATOM 0 HD11 LEU A 50 -2.917 -7.105 -14.985 1.00 51.34 H new ATOM 0 HD12 LEU A 50 -1.737 -6.053 -14.168 1.00 51.34 H new ATOM 0 HD13 LEU A 50 -2.009 -5.893 -15.920 1.00 51.34 H new ATOM 0 HD21 LEU A 50 -2.167 -8.912 -16.464 1.00 43.45 H new ATOM 0 HD22 LEU A 50 -1.236 -7.767 -17.460 1.00 43.45 H new ATOM 0 HD23 LEU A 50 -0.431 -9.185 -16.747 1.00 43.45 H new ATOM 752 N SER A 51 3.690 -6.473 -15.423 1.00 72.44 N ATOM 753 CA SER A 51 4.905 -5.808 -15.889 1.00 5.20 C ATOM 754 C SER A 51 5.977 -6.821 -16.327 1.00 52.42 C ATOM 755 O SER A 51 6.771 -6.524 -17.217 1.00 32.00 O ATOM 756 CB SER A 51 5.453 -4.876 -14.806 1.00 63.33 C ATOM 757 OG SER A 51 4.506 -3.874 -14.476 1.00 72.14 O ATOM 0 H SER A 51 3.542 -6.417 -14.415 1.00 72.44 H new ATOM 0 HA SER A 51 4.642 -5.213 -16.764 1.00 5.20 H new ATOM 0 HB2 SER A 51 5.703 -5.453 -13.916 1.00 63.33 H new ATOM 0 HB3 SER A 51 6.375 -4.410 -15.153 1.00 63.33 H new ATOM 0 HG SER A 51 3.935 -4.191 -13.745 1.00 72.14 H new ATOM 763 N ARG A 52 5.973 -8.026 -15.723 1.00 44.12 N ATOM 764 CA ARG A 52 6.935 -9.090 -16.078 1.00 1.34 C ATOM 765 C ARG A 52 6.616 -9.682 -17.452 1.00 1.13 C ATOM 766 O ARG A 52 7.516 -10.014 -18.215 1.00 63.10 O ATOM 767 CB ARG A 52 6.928 -10.232 -15.046 1.00 11.12 C ATOM 768 CG ARG A 52 7.110 -9.797 -13.599 1.00 43.54 C ATOM 769 CD ARG A 52 8.412 -9.047 -13.372 1.00 13.50 C ATOM 770 NE ARG A 52 8.470 -8.479 -12.024 1.00 12.35 N ATOM 771 CZ ARG A 52 9.485 -7.758 -11.541 1.00 14.43 C ATOM 772 NH1 ARG A 52 10.580 -7.544 -12.260 1.00 35.21 N ATOM 773 NH2 ARG A 52 9.396 -7.251 -10.323 1.00 64.53 N ATOM 0 H ARG A 52 5.316 -8.287 -14.988 1.00 44.12 H new ATOM 0 HA ARG A 52 7.920 -8.624 -16.092 1.00 1.34 H new ATOM 0 HB2 ARG A 52 5.985 -10.771 -15.131 1.00 11.12 H new ATOM 0 HB3 ARG A 52 7.721 -10.935 -15.300 1.00 11.12 H new ATOM 0 HG2 ARG A 52 6.274 -9.162 -13.307 1.00 43.54 H new ATOM 0 HG3 ARG A 52 7.084 -10.675 -12.954 1.00 43.54 H new ATOM 0 HD2 ARG A 52 9.254 -9.723 -13.521 1.00 13.50 H new ATOM 0 HD3 ARG A 52 8.509 -8.250 -14.109 1.00 13.50 H new ATOM 0 HE ARG A 52 7.675 -8.647 -11.407 1.00 12.35 H new ATOM 0 HH11 ARG A 52 10.657 -7.933 -13.200 1.00 35.21 H new ATOM 0 HH12 ARG A 52 11.344 -6.990 -11.873 1.00 35.21 H new ATOM 0 HH21 ARG A 52 8.559 -7.412 -9.763 1.00 64.53 H new ATOM 0 HH22 ARG A 52 10.165 -6.699 -9.943 1.00 64.53 H new ATOM 787 N ASN A 53 5.322 -9.812 -17.744 1.00 44.05 N ATOM 788 CA ASN A 53 4.852 -10.316 -19.038 1.00 3.22 C ATOM 789 C ASN A 53 4.933 -9.249 -20.129 1.00 62.40 C ATOM 790 O ASN A 53 5.122 -9.563 -21.304 1.00 2.52 O ATOM 791 CB ASN A 53 3.405 -10.807 -18.919 1.00 64.14 C ATOM 792 CG ASN A 53 3.263 -12.028 -18.030 1.00 65.02 C ATOM 793 OD1 ASN A 53 4.165 -12.856 -17.938 1.00 4.42 O ATOM 794 ND2 ASN A 53 2.127 -12.155 -17.379 1.00 52.53 N ATOM 0 H ASN A 53 4.572 -9.573 -17.095 1.00 44.05 H new ATOM 0 HA ASN A 53 5.505 -11.142 -19.320 1.00 3.22 H new ATOM 0 HB2 ASN A 53 2.786 -10.002 -18.523 1.00 64.14 H new ATOM 0 HB3 ASN A 53 3.024 -11.042 -19.913 1.00 64.14 H new ATOM 0 HD21 ASN A 53 1.974 -12.961 -16.774 1.00 52.53 H new ATOM 0 HD22 ASN A 53 1.400 -11.447 -17.480 1.00 52.53 H new ATOM 801 N GLY A 54 4.807 -7.990 -19.716 1.00 32.43 N ATOM 802 CA GLY A 54 4.704 -6.887 -20.654 1.00 71.01 C ATOM 803 C GLY A 54 3.269 -6.647 -21.084 1.00 14.04 C ATOM 804 O GLY A 54 3.016 -6.073 -22.147 1.00 34.20 O ATOM 0 H GLY A 54 4.774 -7.713 -18.735 1.00 32.43 H new ATOM 0 HA2 GLY A 54 5.103 -5.982 -20.196 1.00 71.01 H new ATOM 0 HA3 GLY A 54 5.316 -7.097 -21.531 1.00 71.01 H new ATOM 808 N GLY A 55 2.334 -7.090 -20.243 1.00 43.21 N ATOM 809 CA GLY A 55 0.923 -6.933 -20.508 1.00 52.32 C ATOM 810 C GLY A 55 0.247 -6.079 -19.465 1.00 71.01 C ATOM 811 O GLY A 55 -0.901 -6.333 -19.101 1.00 74.11 O ATOM 0 H GLY A 55 2.543 -7.565 -19.365 1.00 43.21 H new ATOM 0 HA2 GLY A 55 0.786 -6.482 -21.491 1.00 52.32 H new ATOM 0 HA3 GLY A 55 0.448 -7.914 -20.538 1.00 52.32 H new ATOM 815 N TYR A 56 0.966 -5.060 -18.989 1.00 4.33 N ATOM 816 CA TYR A 56 0.454 -4.140 -17.983 1.00 52.04 C ATOM 817 C TYR A 56 -0.510 -3.143 -18.635 1.00 13.03 C ATOM 818 O TYR A 56 -0.113 -2.137 -19.223 1.00 62.52 O ATOM 819 CB TYR A 56 1.630 -3.444 -17.250 1.00 54.25 C ATOM 820 CG TYR A 56 1.248 -2.300 -16.327 1.00 55.03 C ATOM 821 CD1 TYR A 56 0.549 -2.511 -15.146 1.00 53.35 C ATOM 822 CD2 TYR A 56 1.583 -0.994 -16.657 1.00 72.03 C ATOM 823 CE1 TYR A 56 0.203 -1.450 -14.331 1.00 0.14 C ATOM 824 CE2 TYR A 56 1.236 0.061 -15.849 1.00 1.14 C ATOM 825 CZ TYR A 56 0.543 -0.170 -14.688 1.00 43.21 C ATOM 826 OH TYR A 56 0.183 0.883 -13.884 1.00 61.21 O ATOM 0 H TYR A 56 1.918 -4.854 -19.293 1.00 4.33 H new ATOM 0 HA TYR A 56 -0.110 -4.688 -17.228 1.00 52.04 H new ATOM 0 HB2 TYR A 56 2.165 -4.194 -16.667 1.00 54.25 H new ATOM 0 HB3 TYR A 56 2.327 -3.066 -17.998 1.00 54.25 H new ATOM 0 HD1 TYR A 56 0.273 -3.515 -14.861 1.00 53.35 H new ATOM 0 HD2 TYR A 56 2.129 -0.803 -17.569 1.00 72.03 H new ATOM 0 HE1 TYR A 56 -0.336 -1.629 -13.412 1.00 0.14 H new ATOM 0 HE2 TYR A 56 1.508 1.069 -16.127 1.00 1.14 H new ATOM 0 HH TYR A 56 0.268 0.621 -12.944 1.00 61.21 H new ATOM 836 N LYS A 57 -1.778 -3.504 -18.599 1.00 72.43 N ATOM 837 CA LYS A 57 -2.839 -2.655 -19.094 1.00 42.30 C ATOM 838 C LYS A 57 -3.825 -2.372 -17.985 1.00 3.25 C ATOM 839 O LYS A 57 -4.230 -3.275 -17.245 1.00 43.13 O ATOM 840 CB LYS A 57 -3.549 -3.301 -20.294 1.00 3.11 C ATOM 841 CG LYS A 57 -2.747 -3.251 -21.590 1.00 71.44 C ATOM 842 CD LYS A 57 -2.693 -1.840 -22.149 1.00 14.11 C ATOM 843 CE LYS A 57 -1.781 -1.727 -23.362 1.00 55.33 C ATOM 844 NZ LYS A 57 -0.353 -1.956 -23.016 1.00 15.54 N ATOM 0 H LYS A 57 -2.100 -4.396 -18.225 1.00 72.43 H new ATOM 0 HA LYS A 57 -2.402 -1.715 -19.433 1.00 42.30 H new ATOM 0 HB2 LYS A 57 -3.770 -4.341 -20.055 1.00 3.11 H new ATOM 0 HB3 LYS A 57 -4.504 -2.800 -20.450 1.00 3.11 H new ATOM 0 HG2 LYS A 57 -1.735 -3.612 -21.408 1.00 71.44 H new ATOM 0 HG3 LYS A 57 -3.196 -3.919 -22.325 1.00 71.44 H new ATOM 0 HD2 LYS A 57 -3.699 -1.523 -22.424 1.00 14.11 H new ATOM 0 HD3 LYS A 57 -2.345 -1.158 -21.373 1.00 14.11 H new ATOM 0 HE2 LYS A 57 -2.091 -2.451 -24.116 1.00 55.33 H new ATOM 0 HE3 LYS A 57 -1.891 -0.738 -23.806 1.00 55.33 H new ATOM 0 HZ1 LYS A 57 0.246 -1.705 -23.828 1.00 15.54 H new ATOM 0 HZ2 LYS A 57 -0.095 -1.366 -22.200 1.00 15.54 H new ATOM 0 HZ3 LYS A 57 -0.210 -2.958 -22.778 1.00 15.54 H new ATOM 858 N MET A 58 -4.177 -1.108 -17.864 1.00 41.11 N ATOM 859 CA MET A 58 -5.156 -0.664 -16.885 1.00 60.35 C ATOM 860 C MET A 58 -6.514 -0.583 -17.567 1.00 13.32 C ATOM 861 O MET A 58 -6.580 -0.648 -18.796 1.00 52.22 O ATOM 862 CB MET A 58 -4.757 0.700 -16.321 1.00 41.12 C ATOM 863 CG MET A 58 -3.322 0.741 -15.824 1.00 63.13 C ATOM 864 SD MET A 58 -2.870 2.318 -15.105 1.00 51.43 S ATOM 865 CE MET A 58 -3.092 3.415 -16.507 1.00 10.24 C ATOM 0 H MET A 58 -3.794 -0.358 -18.440 1.00 41.11 H new ATOM 0 HA MET A 58 -5.202 -1.369 -16.055 1.00 60.35 H new ATOM 0 HB2 MET A 58 -4.890 1.459 -17.092 1.00 41.12 H new ATOM 0 HB3 MET A 58 -5.427 0.958 -15.501 1.00 41.12 H new ATOM 0 HG2 MET A 58 -3.179 -0.044 -15.082 1.00 63.13 H new ATOM 0 HG3 MET A 58 -2.650 0.521 -16.654 1.00 63.13 H new ATOM 0 HE1 MET A 58 -2.307 4.171 -16.505 1.00 10.24 H new ATOM 0 HE2 MET A 58 -3.039 2.840 -17.431 1.00 10.24 H new ATOM 0 HE3 MET A 58 -4.065 3.902 -16.438 1.00 10.24 H new ATOM 875 N VAL A 59 -7.595 -0.441 -16.804 1.00 11.21 N ATOM 876 CA VAL A 59 -8.925 -0.412 -17.420 1.00 51.13 C ATOM 877 C VAL A 59 -9.317 1.017 -17.829 1.00 63.23 C ATOM 878 O VAL A 59 -10.242 1.211 -18.621 1.00 73.23 O ATOM 879 CB VAL A 59 -10.035 -1.080 -16.537 1.00 53.23 C ATOM 880 CG1 VAL A 59 -9.573 -2.436 -16.014 1.00 70.11 C ATOM 881 CG2 VAL A 59 -10.498 -0.194 -15.389 1.00 42.12 C ATOM 0 H VAL A 59 -7.584 -0.347 -15.788 1.00 11.21 H new ATOM 0 HA VAL A 59 -8.855 -1.020 -18.322 1.00 51.13 H new ATOM 0 HB VAL A 59 -10.897 -1.225 -17.188 1.00 53.23 H new ATOM 0 HG11 VAL A 59 -10.361 -2.879 -15.404 1.00 70.11 H new ATOM 0 HG12 VAL A 59 -9.352 -3.094 -16.854 1.00 70.11 H new ATOM 0 HG13 VAL A 59 -8.676 -2.306 -15.409 1.00 70.11 H new ATOM 0 HG21 VAL A 59 -11.266 -0.713 -14.816 1.00 42.12 H new ATOM 0 HG22 VAL A 59 -9.652 0.032 -14.740 1.00 42.12 H new ATOM 0 HG23 VAL A 59 -10.908 0.734 -15.788 1.00 42.12 H new ATOM 891 N GLU A 60 -8.598 2.009 -17.293 1.00 23.13 N ATOM 892 CA GLU A 60 -8.792 3.397 -17.680 1.00 0.44 C ATOM 893 C GLU A 60 -7.477 4.027 -18.083 1.00 1.50 C ATOM 894 O GLU A 60 -6.435 3.753 -17.482 1.00 41.40 O ATOM 895 CB GLU A 60 -9.404 4.226 -16.555 1.00 33.22 C ATOM 896 CG GLU A 60 -10.828 3.848 -16.212 1.00 44.23 C ATOM 897 CD GLU A 60 -11.499 4.858 -15.311 1.00 63.44 C ATOM 898 OE1 GLU A 60 -10.841 5.372 -14.392 1.00 43.32 O ATOM 899 OE2 GLU A 60 -12.698 5.130 -15.514 1.00 61.14 O ATOM 0 H GLU A 60 -7.875 1.868 -16.587 1.00 23.13 H new ATOM 0 HA GLU A 60 -9.481 3.391 -18.525 1.00 0.44 H new ATOM 0 HB2 GLU A 60 -8.787 4.120 -15.663 1.00 33.22 H new ATOM 0 HB3 GLU A 60 -9.377 5.278 -16.838 1.00 33.22 H new ATOM 0 HG2 GLU A 60 -11.405 3.748 -17.132 1.00 44.23 H new ATOM 0 HG3 GLU A 60 -10.833 2.873 -15.725 1.00 44.23 H new ATOM 906 N TYR A 61 -7.538 4.862 -19.114 1.00 45.33 N ATOM 907 CA TYR A 61 -6.386 5.639 -19.562 1.00 22.12 C ATOM 908 C TYR A 61 -6.733 7.126 -19.651 1.00 54.05 C ATOM 909 O TYR A 61 -5.940 7.938 -20.133 1.00 44.23 O ATOM 910 CB TYR A 61 -5.848 5.102 -20.897 1.00 32.15 C ATOM 911 CG TYR A 61 -4.949 3.899 -20.720 1.00 14.41 C ATOM 912 CD1 TYR A 61 -3.590 4.064 -20.500 1.00 35.15 C ATOM 913 CD2 TYR A 61 -5.459 2.607 -20.732 1.00 53.34 C ATOM 914 CE1 TYR A 61 -2.766 2.981 -20.301 1.00 12.24 C ATOM 915 CE2 TYR A 61 -4.638 1.517 -20.537 1.00 24.11 C ATOM 916 CZ TYR A 61 -3.292 1.710 -20.317 1.00 31.24 C ATOM 917 OH TYR A 61 -2.470 0.633 -20.098 1.00 2.21 O ATOM 0 H TYR A 61 -8.384 5.020 -19.662 1.00 45.33 H new ATOM 0 HA TYR A 61 -5.592 5.531 -18.823 1.00 22.12 H new ATOM 0 HB2 TYR A 61 -6.686 4.833 -21.540 1.00 32.15 H new ATOM 0 HB3 TYR A 61 -5.296 5.892 -21.406 1.00 32.15 H new ATOM 0 HD1 TYR A 61 -3.172 5.060 -20.485 1.00 35.15 H new ATOM 0 HD2 TYR A 61 -6.515 2.454 -20.897 1.00 53.34 H new ATOM 0 HE1 TYR A 61 -1.709 3.128 -20.133 1.00 12.24 H new ATOM 0 HE2 TYR A 61 -5.048 0.518 -20.557 1.00 24.11 H new ATOM 0 HH TYR A 61 -2.183 0.626 -19.161 1.00 2.21 H new ATOM 927 N GLY A 62 -7.926 7.470 -19.158 1.00 44.13 N ATOM 928 CA GLY A 62 -8.322 8.862 -19.014 1.00 65.13 C ATOM 929 C GLY A 62 -8.244 9.320 -17.566 1.00 41.41 C ATOM 930 O GLY A 62 -8.646 10.438 -17.237 1.00 71.23 O ATOM 0 H GLY A 62 -8.631 6.798 -18.853 1.00 44.13 H new ATOM 0 HA2 GLY A 62 -7.678 9.490 -19.630 1.00 65.13 H new ATOM 0 HA3 GLY A 62 -9.340 8.991 -19.383 1.00 65.13 H new ATOM 934 N GLY A 63 -7.719 8.441 -16.700 1.00 50.43 N ATOM 935 CA GLY A 63 -7.566 8.752 -15.292 1.00 65.55 C ATOM 936 C GLY A 63 -6.134 9.106 -14.941 1.00 62.12 C ATOM 937 O GLY A 63 -5.435 9.736 -15.739 1.00 42.34 O ATOM 0 H GLY A 63 -7.396 7.510 -16.962 1.00 50.43 H new ATOM 0 HA2 GLY A 63 -8.220 9.585 -15.031 1.00 65.55 H new ATOM 0 HA3 GLY A 63 -7.885 7.897 -14.695 1.00 65.55 H new ATOM 941 N ALA A 64 -5.692 8.685 -13.761 1.00 44.33 N ATOM 942 CA ALA A 64 -4.361 9.024 -13.262 1.00 42.00 C ATOM 943 C ALA A 64 -3.766 7.859 -12.485 1.00 21.20 C ATOM 944 O ALA A 64 -4.367 6.791 -12.417 1.00 64.41 O ATOM 945 CB ALA A 64 -4.434 10.256 -12.373 1.00 22.00 C ATOM 0 H ALA A 64 -6.240 8.104 -13.127 1.00 44.33 H new ATOM 0 HA ALA A 64 -3.718 9.237 -14.116 1.00 42.00 H new ATOM 0 HB1 ALA A 64 -3.437 10.500 -12.007 1.00 22.00 H new ATOM 0 HB2 ALA A 64 -4.825 11.096 -12.947 1.00 22.00 H new ATOM 0 HB3 ALA A 64 -5.092 10.056 -11.528 1.00 22.00 H new ATOM 951 N GLN A 65 -2.579 8.068 -11.911 1.00 23.12 N ATOM 952 CA GLN A 65 -1.936 7.054 -11.082 1.00 64.51 C ATOM 953 C GLN A 65 -2.090 7.413 -9.613 1.00 44.13 C ATOM 954 O GLN A 65 -1.224 8.060 -9.009 1.00 2.54 O ATOM 955 CB GLN A 65 -0.454 6.872 -11.472 1.00 24.12 C ATOM 956 CG GLN A 65 -0.259 6.413 -12.916 1.00 34.43 C ATOM 957 CD GLN A 65 -0.800 5.021 -13.173 1.00 54.42 C ATOM 958 OE1 GLN A 65 -0.073 4.034 -13.094 1.00 42.35 O ATOM 959 NE2 GLN A 65 -2.088 4.939 -13.452 1.00 42.02 N ATOM 0 H GLN A 65 -2.046 8.932 -12.007 1.00 23.12 H new ATOM 0 HA GLN A 65 -2.428 6.097 -11.253 1.00 64.51 H new ATOM 0 HB2 GLN A 65 0.071 7.815 -11.324 1.00 24.12 H new ATOM 0 HB3 GLN A 65 0.004 6.144 -10.802 1.00 24.12 H new ATOM 0 HG2 GLN A 65 -0.752 7.118 -13.585 1.00 34.43 H new ATOM 0 HG3 GLN A 65 0.804 6.434 -13.158 1.00 34.43 H new ATOM 0 HE21 GLN A 65 -2.653 5.787 -13.507 1.00 42.02 H new ATOM 0 HE22 GLN A 65 -2.518 4.028 -13.612 1.00 42.02 H new ATOM 968 N ALA A 66 -3.236 7.035 -9.072 1.00 51.14 N ATOM 969 CA ALA A 66 -3.557 7.271 -7.678 1.00 14.50 C ATOM 970 C ALA A 66 -3.367 5.990 -6.878 1.00 21.30 C ATOM 971 O ALA A 66 -3.106 6.019 -5.682 1.00 31.53 O ATOM 972 CB ALA A 66 -4.980 7.787 -7.560 1.00 71.25 C ATOM 0 H ALA A 66 -3.971 6.554 -9.591 1.00 51.14 H new ATOM 0 HA ALA A 66 -2.885 8.026 -7.271 1.00 14.50 H new ATOM 0 HB1 ALA A 66 -5.217 7.963 -6.511 1.00 71.25 H new ATOM 0 HB2 ALA A 66 -5.076 8.720 -8.115 1.00 71.25 H new ATOM 0 HB3 ALA A 66 -5.670 7.049 -7.969 1.00 71.25 H new ATOM 978 N GLU A 67 -3.465 4.865 -7.577 1.00 53.14 N ATOM 979 CA GLU A 67 -3.190 3.540 -7.029 1.00 13.54 C ATOM 980 C GLU A 67 -1.704 3.439 -6.655 1.00 74.30 C ATOM 981 O GLU A 67 -0.895 4.264 -7.113 1.00 54.21 O ATOM 982 CB GLU A 67 -3.541 2.444 -8.057 1.00 74.03 C ATOM 983 CG GLU A 67 -4.803 2.695 -8.900 1.00 23.22 C ATOM 984 CD GLU A 67 -4.555 3.550 -10.148 1.00 65.21 C ATOM 985 OE1 GLU A 67 -3.933 3.048 -11.106 1.00 32.45 O ATOM 986 OE2 GLU A 67 -4.969 4.726 -10.156 1.00 22.22 O ATOM 0 H GLU A 67 -3.743 4.847 -8.558 1.00 53.14 H new ATOM 0 HA GLU A 67 -3.804 3.394 -6.141 1.00 13.54 H new ATOM 0 HB2 GLU A 67 -2.694 2.322 -8.733 1.00 74.03 H new ATOM 0 HB3 GLU A 67 -3.664 1.500 -7.526 1.00 74.03 H new ATOM 0 HG2 GLU A 67 -5.221 1.736 -9.206 1.00 23.22 H new ATOM 0 HG3 GLU A 67 -5.552 3.185 -8.278 1.00 23.22 H new ATOM 993 N TRP A 68 -1.339 2.447 -5.837 1.00 34.34 N ATOM 994 CA TRP A 68 0.021 2.364 -5.296 1.00 33.43 C ATOM 995 C TRP A 68 1.065 2.015 -6.351 1.00 44.32 C ATOM 996 O TRP A 68 1.230 0.869 -6.775 1.00 42.40 O ATOM 997 CB TRP A 68 0.093 1.452 -4.064 1.00 35.31 C ATOM 998 CG TRP A 68 -0.706 1.993 -2.904 1.00 61.41 C ATOM 999 CD1 TRP A 68 -1.467 1.271 -2.036 1.00 21.13 C ATOM 1000 CD2 TRP A 68 -0.837 3.374 -2.502 1.00 72.00 C ATOM 1001 NE1 TRP A 68 -2.080 2.109 -1.135 1.00 51.33 N ATOM 1002 CE2 TRP A 68 -1.703 3.404 -1.401 1.00 14.02 C ATOM 1003 CE3 TRP A 68 -0.310 4.591 -2.963 1.00 33.53 C ATOM 1004 CZ2 TRP A 68 -2.055 4.593 -0.770 1.00 2.35 C ATOM 1005 CZ3 TRP A 68 -0.657 5.757 -2.327 1.00 64.31 C ATOM 1006 CH2 TRP A 68 -1.523 5.751 -1.241 1.00 64.21 C ATOM 0 H TRP A 68 -1.961 1.696 -5.537 1.00 34.34 H new ATOM 0 HA TRP A 68 0.278 3.368 -4.958 1.00 33.43 H new ATOM 0 HB2 TRP A 68 -0.277 0.461 -4.326 1.00 35.31 H new ATOM 0 HB3 TRP A 68 1.134 1.334 -3.762 1.00 35.31 H new ATOM 0 HD1 TRP A 68 -1.574 0.196 -2.053 1.00 21.13 H new ATOM 0 HE1 TRP A 68 -2.712 1.817 -0.390 1.00 51.33 H new ATOM 0 HE3 TRP A 68 0.361 4.610 -3.809 1.00 33.53 H new ATOM 0 HZ2 TRP A 68 -2.732 4.595 0.071 1.00 2.35 H new ATOM 0 HZ3 TRP A 68 -0.250 6.694 -2.677 1.00 64.31 H new ATOM 0 HH2 TRP A 68 -1.778 6.685 -0.762 1.00 64.21 H new ATOM 1017 N HIS A 69 1.726 3.084 -6.787 1.00 41.41 N ATOM 1018 CA HIS A 69 2.710 3.057 -7.857 1.00 0.05 C ATOM 1019 C HIS A 69 3.972 3.797 -7.396 1.00 24.21 C ATOM 1020 O HIS A 69 4.443 3.567 -6.287 1.00 53.22 O ATOM 1021 CB HIS A 69 2.117 3.685 -9.139 1.00 0.33 C ATOM 1022 CG HIS A 69 1.091 2.844 -9.839 1.00 75.54 C ATOM 1023 ND1 HIS A 69 -0.255 3.092 -9.770 1.00 22.44 N ATOM 1024 CD2 HIS A 69 1.227 1.758 -10.626 1.00 32.23 C ATOM 1025 CE1 HIS A 69 -0.903 2.199 -10.487 1.00 72.32 C ATOM 1026 NE2 HIS A 69 -0.030 1.374 -11.024 1.00 15.41 N ATOM 0 H HIS A 69 1.586 4.015 -6.394 1.00 41.41 H new ATOM 0 HA HIS A 69 2.980 2.027 -8.092 1.00 0.05 H new ATOM 0 HB2 HIS A 69 1.666 4.643 -8.881 1.00 0.33 H new ATOM 0 HB3 HIS A 69 2.931 3.893 -9.834 1.00 0.33 H new ATOM 0 HD1 HIS A 69 -0.688 3.851 -9.244 1.00 22.44 H new ATOM 0 HD2 HIS A 69 2.156 1.277 -10.895 1.00 32.23 H new ATOM 0 HE1 HIS A 69 -1.974 2.151 -10.614 1.00 72.32 H new ATOM 1035 N GLU A 70 4.500 4.707 -8.210 1.00 35.11 N ATOM 1036 CA GLU A 70 5.777 5.345 -7.910 1.00 51.25 C ATOM 1037 C GLU A 70 5.650 6.512 -6.921 1.00 31.30 C ATOM 1038 O GLU A 70 6.652 6.964 -6.382 1.00 14.14 O ATOM 1039 CB GLU A 70 6.492 5.794 -9.192 1.00 2.43 C ATOM 1040 CG GLU A 70 7.168 4.658 -9.964 1.00 14.55 C ATOM 1041 CD GLU A 70 6.257 3.947 -10.946 1.00 4.34 C ATOM 1042 OE1 GLU A 70 5.408 3.154 -10.516 1.00 13.22 O ATOM 1043 OE2 GLU A 70 6.407 4.163 -12.164 1.00 55.44 O ATOM 0 H GLU A 70 4.065 5.018 -9.079 1.00 35.11 H new ATOM 0 HA GLU A 70 6.385 4.585 -7.420 1.00 51.25 H new ATOM 0 HB2 GLU A 70 5.769 6.283 -9.846 1.00 2.43 H new ATOM 0 HB3 GLU A 70 7.243 6.540 -8.933 1.00 2.43 H new ATOM 0 HG2 GLU A 70 8.024 5.061 -10.505 1.00 14.55 H new ATOM 0 HG3 GLU A 70 7.555 3.930 -9.252 1.00 14.55 H new ATOM 1050 N GLN A 71 4.421 6.981 -6.656 1.00 61.15 N ATOM 1051 CA GLN A 71 4.188 7.946 -5.564 1.00 25.41 C ATOM 1052 C GLN A 71 4.230 7.233 -4.215 1.00 65.20 C ATOM 1053 O GLN A 71 4.573 7.828 -3.190 1.00 72.43 O ATOM 1054 CB GLN A 71 2.846 8.664 -5.711 1.00 20.10 C ATOM 1055 CG GLN A 71 2.759 9.588 -6.911 1.00 20.12 C ATOM 1056 CD GLN A 71 1.558 10.513 -6.844 1.00 3.30 C ATOM 1057 OE1 GLN A 71 1.119 10.908 -5.765 1.00 22.25 O ATOM 1058 NE2 GLN A 71 1.015 10.863 -7.996 1.00 75.11 N ATOM 0 H GLN A 71 3.583 6.714 -7.173 1.00 61.15 H new ATOM 0 HA GLN A 71 4.981 8.692 -5.619 1.00 25.41 H new ATOM 0 HB2 GLN A 71 2.055 7.918 -5.784 1.00 20.10 H new ATOM 0 HB3 GLN A 71 2.656 9.243 -4.807 1.00 20.10 H new ATOM 0 HG2 GLN A 71 3.670 10.184 -6.974 1.00 20.12 H new ATOM 0 HG3 GLN A 71 2.704 8.992 -7.822 1.00 20.12 H new ATOM 0 HE21 GLN A 71 1.407 10.515 -8.871 1.00 75.11 H new ATOM 0 HE22 GLN A 71 0.204 11.481 -8.011 1.00 75.11 H new ATOM 1067 N ALA A 72 3.910 5.933 -4.248 1.00 73.42 N ATOM 1068 CA ALA A 72 3.931 5.070 -3.071 1.00 62.53 C ATOM 1069 C ALA A 72 5.353 4.767 -2.611 1.00 20.53 C ATOM 1070 O ALA A 72 5.538 4.372 -1.473 1.00 23.32 O ATOM 1071 CB ALA A 72 3.175 3.781 -3.318 1.00 71.35 C ATOM 0 H ALA A 72 3.628 5.451 -5.102 1.00 73.42 H new ATOM 0 HA ALA A 72 3.430 5.618 -2.273 1.00 62.53 H new ATOM 0 HB1 ALA A 72 3.210 3.161 -2.422 1.00 71.35 H new ATOM 0 HB2 ALA A 72 2.137 4.009 -3.561 1.00 71.35 H new ATOM 0 HB3 ALA A 72 3.633 3.244 -4.149 1.00 71.35 H new ATOM 1077 N GLU A 73 6.334 4.910 -3.518 1.00 22.03 N ATOM 1078 CA GLU A 73 7.763 4.762 -3.191 1.00 23.50 C ATOM 1079 C GLU A 73 8.223 5.778 -2.116 1.00 1.15 C ATOM 1080 O GLU A 73 9.066 5.468 -1.272 1.00 34.42 O ATOM 1081 CB GLU A 73 8.603 4.922 -4.464 1.00 20.21 C ATOM 1082 CG GLU A 73 10.091 4.696 -4.246 1.00 31.54 C ATOM 1083 CD GLU A 73 10.925 5.076 -5.437 1.00 53.32 C ATOM 1084 OE1 GLU A 73 11.143 6.284 -5.653 1.00 13.05 O ATOM 1085 OE2 GLU A 73 11.365 4.170 -6.162 1.00 21.23 O ATOM 0 H GLU A 73 6.159 5.131 -4.498 1.00 22.03 H new ATOM 0 HA GLU A 73 7.908 3.765 -2.776 1.00 23.50 H new ATOM 0 HB2 GLU A 73 8.244 4.220 -5.216 1.00 20.21 H new ATOM 0 HB3 GLU A 73 8.451 5.924 -4.865 1.00 20.21 H new ATOM 0 HG2 GLU A 73 10.418 5.274 -3.382 1.00 31.54 H new ATOM 0 HG3 GLU A 73 10.262 3.646 -4.010 1.00 31.54 H new ATOM 1092 N LYS A 74 7.656 6.978 -2.136 1.00 55.43 N ATOM 1093 CA LYS A 74 7.954 7.978 -1.110 1.00 13.25 C ATOM 1094 C LYS A 74 7.266 7.628 0.218 1.00 13.44 C ATOM 1095 O LYS A 74 7.813 7.876 1.297 1.00 73.21 O ATOM 1096 CB LYS A 74 7.525 9.367 -1.586 1.00 2.31 C ATOM 1097 CG LYS A 74 8.369 9.923 -2.730 1.00 24.40 C ATOM 1098 CD LYS A 74 9.783 10.264 -2.276 1.00 14.24 C ATOM 1099 CE LYS A 74 10.552 11.057 -3.328 1.00 2.41 C ATOM 1100 NZ LYS A 74 10.948 10.221 -4.492 1.00 61.15 N ATOM 0 H LYS A 74 6.991 7.284 -2.846 1.00 55.43 H new ATOM 0 HA LYS A 74 9.031 7.982 -0.939 1.00 13.25 H new ATOM 0 HB2 LYS A 74 6.484 9.324 -1.905 1.00 2.31 H new ATOM 0 HB3 LYS A 74 7.573 10.058 -0.745 1.00 2.31 H new ATOM 0 HG2 LYS A 74 8.413 9.192 -3.538 1.00 24.40 H new ATOM 0 HG3 LYS A 74 7.891 10.816 -3.133 1.00 24.40 H new ATOM 0 HD2 LYS A 74 9.737 10.840 -1.352 1.00 14.24 H new ATOM 0 HD3 LYS A 74 10.322 9.344 -2.052 1.00 14.24 H new ATOM 0 HE2 LYS A 74 9.937 11.888 -3.674 1.00 2.41 H new ATOM 0 HE3 LYS A 74 11.444 11.488 -2.874 1.00 2.41 H new ATOM 0 HZ1 LYS A 74 11.467 10.805 -5.178 1.00 61.15 H new ATOM 0 HZ2 LYS A 74 11.557 9.442 -4.169 1.00 61.15 H new ATOM 0 HZ3 LYS A 74 10.097 9.830 -4.944 1.00 61.15 H new ATOM 1114 N VAL A 75 6.073 7.035 0.114 1.00 24.22 N ATOM 1115 CA VAL A 75 5.252 6.663 1.271 1.00 65.23 C ATOM 1116 C VAL A 75 5.820 5.426 2.004 1.00 13.42 C ATOM 1117 O VAL A 75 5.760 5.345 3.234 1.00 22.30 O ATOM 1118 CB VAL A 75 3.784 6.379 0.841 1.00 33.20 C ATOM 1119 CG1 VAL A 75 2.870 6.292 2.040 1.00 24.54 C ATOM 1120 CG2 VAL A 75 3.263 7.433 -0.117 1.00 53.31 C ATOM 0 H VAL A 75 5.646 6.798 -0.782 1.00 24.22 H new ATOM 0 HA VAL A 75 5.271 7.510 1.957 1.00 65.23 H new ATOM 0 HB VAL A 75 3.790 5.418 0.327 1.00 33.20 H new ATOM 0 HG11 VAL A 75 1.851 6.093 1.707 1.00 24.54 H new ATOM 0 HG12 VAL A 75 3.203 5.485 2.693 1.00 24.54 H new ATOM 0 HG13 VAL A 75 2.895 7.235 2.586 1.00 24.54 H new ATOM 0 HG21 VAL A 75 2.235 7.198 -0.393 1.00 53.31 H new ATOM 0 HG22 VAL A 75 3.295 8.410 0.365 1.00 53.31 H new ATOM 0 HG23 VAL A 75 3.884 7.450 -1.013 1.00 53.31 H new ATOM 1130 N GLU A 76 6.360 4.471 1.238 1.00 22.43 N ATOM 1131 CA GLU A 76 6.927 3.238 1.796 1.00 33.00 C ATOM 1132 C GLU A 76 8.212 3.506 2.587 1.00 24.42 C ATOM 1133 O GLU A 76 8.437 2.884 3.622 1.00 22.32 O ATOM 1134 CB GLU A 76 7.157 2.175 0.698 1.00 23.35 C ATOM 1135 CG GLU A 76 8.110 2.579 -0.414 1.00 54.04 C ATOM 1136 CD GLU A 76 9.410 1.805 -0.415 1.00 22.11 C ATOM 1137 OE1 GLU A 76 10.313 2.138 0.381 1.00 73.35 O ATOM 1138 OE2 GLU A 76 9.543 0.878 -1.228 1.00 64.43 O ATOM 0 H GLU A 76 6.416 4.530 0.221 1.00 22.43 H new ATOM 0 HA GLU A 76 6.194 2.839 2.497 1.00 33.00 H new ATOM 0 HB2 GLU A 76 7.539 1.269 1.168 1.00 23.35 H new ATOM 0 HB3 GLU A 76 6.194 1.923 0.254 1.00 23.35 H new ATOM 0 HG2 GLU A 76 7.614 2.439 -1.374 1.00 54.04 H new ATOM 0 HG3 GLU A 76 8.331 3.642 -0.322 1.00 54.04 H new ATOM 1145 N ALA A 77 9.035 4.450 2.105 1.00 24.03 N ATOM 1146 CA ALA A 77 10.239 4.876 2.813 1.00 14.45 C ATOM 1147 C ALA A 77 9.885 5.541 4.138 1.00 73.33 C ATOM 1148 O ALA A 77 10.587 5.369 5.134 1.00 21.42 O ATOM 1149 CB ALA A 77 11.048 5.812 1.942 1.00 52.45 C ATOM 0 H ALA A 77 8.881 4.933 1.220 1.00 24.03 H new ATOM 0 HA ALA A 77 10.842 3.995 3.034 1.00 14.45 H new ATOM 0 HB1 ALA A 77 11.944 6.125 2.478 1.00 52.45 H new ATOM 0 HB2 ALA A 77 11.335 5.298 1.024 1.00 52.45 H new ATOM 0 HB3 ALA A 77 10.449 6.688 1.695 1.00 52.45 H new ATOM 1155 N TYR A 78 8.759 6.260 4.130 1.00 43.01 N ATOM 1156 CA TYR A 78 8.213 6.896 5.316 1.00 72.44 C ATOM 1157 C TYR A 78 7.700 5.852 6.326 1.00 45.41 C ATOM 1158 O TYR A 78 7.855 6.038 7.518 1.00 65.14 O ATOM 1159 CB TYR A 78 7.093 7.847 4.894 1.00 14.51 C ATOM 1160 CG TYR A 78 6.509 8.684 6.008 1.00 44.22 C ATOM 1161 CD1 TYR A 78 7.134 9.843 6.437 1.00 22.04 C ATOM 1162 CD2 TYR A 78 5.312 8.326 6.609 1.00 4.40 C ATOM 1163 CE1 TYR A 78 6.586 10.619 7.435 1.00 22.24 C ATOM 1164 CE2 TYR A 78 4.754 9.098 7.600 1.00 51.41 C ATOM 1165 CZ TYR A 78 5.393 10.243 8.011 1.00 12.31 C ATOM 1166 OH TYR A 78 4.829 11.024 8.990 1.00 73.02 O ATOM 0 H TYR A 78 8.202 6.414 3.290 1.00 43.01 H new ATOM 0 HA TYR A 78 9.001 7.460 5.815 1.00 72.44 H new ATOM 0 HB2 TYR A 78 7.476 8.514 4.122 1.00 14.51 H new ATOM 0 HB3 TYR A 78 6.292 7.262 4.442 1.00 14.51 H new ATOM 0 HD1 TYR A 78 8.066 10.143 5.982 1.00 22.04 H new ATOM 0 HD2 TYR A 78 4.809 7.424 6.293 1.00 4.40 H new ATOM 0 HE1 TYR A 78 7.089 11.517 7.763 1.00 22.24 H new ATOM 0 HE2 TYR A 78 3.818 8.806 8.053 1.00 51.41 H new ATOM 0 HH TYR A 78 3.989 10.617 9.289 1.00 73.02 H new ATOM 1176 N LEU A 79 7.117 4.755 5.838 1.00 34.14 N ATOM 1177 CA LEU A 79 6.615 3.677 6.700 1.00 43.41 C ATOM 1178 C LEU A 79 7.769 2.976 7.434 1.00 13.11 C ATOM 1179 O LEU A 79 7.647 2.661 8.623 1.00 71.24 O ATOM 1180 CB LEU A 79 5.787 2.687 5.843 1.00 33.15 C ATOM 1181 CG LEU A 79 4.976 1.568 6.554 1.00 73.33 C ATOM 1182 CD1 LEU A 79 5.827 0.344 6.836 1.00 14.00 C ATOM 1183 CD2 LEU A 79 4.323 2.064 7.839 1.00 72.40 C ATOM 0 H LEU A 79 6.979 4.587 4.841 1.00 34.14 H new ATOM 0 HA LEU A 79 5.967 4.096 7.469 1.00 43.41 H new ATOM 0 HB2 LEU A 79 5.087 3.273 5.248 1.00 33.15 H new ATOM 0 HB3 LEU A 79 6.471 2.204 5.145 1.00 33.15 H new ATOM 0 HG LEU A 79 4.184 1.279 5.863 1.00 73.33 H new ATOM 0 HD11 LEU A 79 5.221 -0.413 7.333 1.00 14.00 H new ATOM 0 HD12 LEU A 79 6.210 -0.057 5.898 1.00 14.00 H new ATOM 0 HD13 LEU A 79 6.662 0.622 7.480 1.00 14.00 H new ATOM 0 HD21 LEU A 79 3.767 1.249 8.302 1.00 72.40 H new ATOM 0 HD22 LEU A 79 5.093 2.415 8.526 1.00 72.40 H new ATOM 0 HD23 LEU A 79 3.642 2.883 7.608 1.00 72.40 H new ATOM 1195 N VAL A 80 8.878 2.749 6.721 1.00 32.15 N ATOM 1196 CA VAL A 80 10.061 2.100 7.297 1.00 44.31 C ATOM 1197 C VAL A 80 10.696 2.973 8.395 1.00 21.33 C ATOM 1198 O VAL A 80 11.052 2.464 9.455 1.00 32.11 O ATOM 1199 CB VAL A 80 11.111 1.738 6.197 1.00 45.01 C ATOM 1200 CG1 VAL A 80 12.355 1.075 6.781 1.00 11.30 C ATOM 1201 CG2 VAL A 80 10.502 0.815 5.154 1.00 21.21 C ATOM 0 H VAL A 80 8.981 3.007 5.739 1.00 32.15 H new ATOM 0 HA VAL A 80 9.728 1.169 7.756 1.00 44.31 H new ATOM 0 HB VAL A 80 11.409 2.678 5.733 1.00 45.01 H new ATOM 0 HG11 VAL A 80 13.054 0.843 5.978 1.00 11.30 H new ATOM 0 HG12 VAL A 80 12.829 1.753 7.491 1.00 11.30 H new ATOM 0 HG13 VAL A 80 12.071 0.155 7.292 1.00 11.30 H new ATOM 0 HG21 VAL A 80 11.250 0.576 4.398 1.00 21.21 H new ATOM 0 HG22 VAL A 80 10.165 -0.104 5.634 1.00 21.21 H new ATOM 0 HG23 VAL A 80 9.654 1.310 4.681 1.00 21.21 H new ATOM 1211 N GLU A 81 10.775 4.291 8.168 1.00 22.44 N ATOM 1212 CA GLU A 81 11.377 5.198 9.152 1.00 53.24 C ATOM 1213 C GLU A 81 10.427 5.490 10.336 1.00 32.22 C ATOM 1214 O GLU A 81 10.889 5.840 11.418 1.00 70.32 O ATOM 1215 CB GLU A 81 11.854 6.501 8.487 1.00 51.54 C ATOM 1216 CG GLU A 81 10.744 7.340 7.882 1.00 10.44 C ATOM 1217 CD GLU A 81 11.246 8.524 7.097 1.00 15.23 C ATOM 1218 OE1 GLU A 81 11.627 8.347 5.922 1.00 51.00 O ATOM 1219 OE2 GLU A 81 11.237 9.645 7.639 1.00 22.25 O ATOM 0 H GLU A 81 10.434 4.748 7.322 1.00 22.44 H new ATOM 0 HA GLU A 81 12.249 4.689 9.563 1.00 53.24 H new ATOM 0 HB2 GLU A 81 12.383 7.100 9.228 1.00 51.54 H new ATOM 0 HB3 GLU A 81 12.573 6.254 7.706 1.00 51.54 H new ATOM 0 HG2 GLU A 81 10.139 6.711 7.229 1.00 10.44 H new ATOM 0 HG3 GLU A 81 10.090 7.693 8.680 1.00 10.44 H new ATOM 1226 N LYS A 82 9.107 5.344 10.125 1.00 11.32 N ATOM 1227 CA LYS A 82 8.126 5.522 11.204 1.00 32.33 C ATOM 1228 C LYS A 82 8.059 4.318 12.121 1.00 1.30 C ATOM 1229 O LYS A 82 7.763 4.478 13.308 1.00 2.45 O ATOM 1230 CB LYS A 82 6.717 5.786 10.650 1.00 44.21 C ATOM 1231 CG LYS A 82 6.490 7.195 10.110 1.00 74.44 C ATOM 1232 CD LYS A 82 6.145 8.219 11.190 1.00 72.54 C ATOM 1233 CE LYS A 82 7.340 8.629 12.038 1.00 65.24 C ATOM 1234 NZ LYS A 82 6.966 9.658 13.035 1.00 11.30 N ATOM 0 H LYS A 82 8.699 5.104 9.221 1.00 11.32 H new ATOM 0 HA LYS A 82 8.467 6.387 11.773 1.00 32.33 H new ATOM 0 HB2 LYS A 82 6.517 5.071 9.852 1.00 44.21 H new ATOM 0 HB3 LYS A 82 5.991 5.594 11.440 1.00 44.21 H new ATOM 0 HG2 LYS A 82 7.388 7.522 9.585 1.00 74.44 H new ATOM 0 HG3 LYS A 82 5.684 7.168 9.377 1.00 74.44 H new ATOM 0 HD2 LYS A 82 5.723 9.106 10.718 1.00 72.54 H new ATOM 0 HD3 LYS A 82 5.373 7.805 11.839 1.00 72.54 H new ATOM 0 HE2 LYS A 82 7.743 7.754 12.549 1.00 65.24 H new ATOM 0 HE3 LYS A 82 8.130 9.014 11.394 1.00 65.24 H new ATOM 0 HZ1 LYS A 82 7.774 9.843 13.663 1.00 11.30 H new ATOM 0 HZ2 LYS A 82 6.701 10.536 12.545 1.00 11.30 H new ATOM 0 HZ3 LYS A 82 6.160 9.319 13.598 1.00 11.30 H new ATOM 1248 N GLN A 83 8.299 3.120 11.539 1.00 53.03 N ATOM 1249 CA GLN A 83 8.293 1.827 12.256 1.00 1.14 C ATOM 1250 C GLN A 83 6.901 1.472 12.800 1.00 1.31 C ATOM 1251 O GLN A 83 6.768 0.584 13.641 1.00 34.12 O ATOM 1252 CB GLN A 83 9.330 1.826 13.395 1.00 11.22 C ATOM 1253 CG GLN A 83 10.772 1.754 12.925 1.00 14.13 C ATOM 1254 CD GLN A 83 11.154 0.365 12.459 1.00 63.10 C ATOM 1255 OE1 GLN A 83 11.631 -0.450 13.241 1.00 65.34 O ATOM 1256 NE2 GLN A 83 10.927 0.083 11.192 1.00 61.55 N ATOM 0 H GLN A 83 8.505 3.025 10.545 1.00 53.03 H new ATOM 0 HA GLN A 83 8.566 1.061 11.530 1.00 1.14 H new ATOM 0 HB2 GLN A 83 9.199 2.729 13.991 1.00 11.22 H new ATOM 0 HB3 GLN A 83 9.131 0.979 14.051 1.00 11.22 H new ATOM 0 HG2 GLN A 83 10.922 2.463 12.111 1.00 14.13 H new ATOM 0 HG3 GLN A 83 11.433 2.057 13.737 1.00 14.13 H new ATOM 0 HE21 GLN A 83 10.529 0.791 10.575 1.00 61.55 H new ATOM 0 HE22 GLN A 83 11.150 -0.843 10.828 1.00 61.55 H new ATOM 1265 N ASP A 84 5.872 2.137 12.281 1.00 31.32 N ATOM 1266 CA ASP A 84 4.529 2.026 12.817 1.00 1.02 C ATOM 1267 C ASP A 84 3.501 2.410 11.744 1.00 61.52 C ATOM 1268 O ASP A 84 3.575 3.502 11.171 1.00 73.32 O ATOM 1269 CB ASP A 84 4.390 2.927 14.057 1.00 30.01 C ATOM 1270 CG ASP A 84 3.106 2.695 14.806 1.00 33.34 C ATOM 1271 OD1 ASP A 84 2.993 1.666 15.499 1.00 5.40 O ATOM 1272 OD2 ASP A 84 2.206 3.532 14.700 1.00 32.34 O ATOM 0 H ASP A 84 5.951 2.764 11.480 1.00 31.32 H new ATOM 0 HA ASP A 84 4.341 0.994 13.114 1.00 1.02 H new ATOM 0 HB2 ASP A 84 5.232 2.749 14.726 1.00 30.01 H new ATOM 0 HB3 ASP A 84 4.442 3.971 13.749 1.00 30.01 H new ATOM 1277 N PRO A 85 2.530 1.503 11.453 1.00 70.55 N ATOM 1278 CA PRO A 85 1.525 1.700 10.385 1.00 33.04 C ATOM 1279 C PRO A 85 0.329 2.590 10.776 1.00 63.23 C ATOM 1280 O PRO A 85 -0.586 2.776 9.976 1.00 53.52 O ATOM 1281 CB PRO A 85 1.042 0.274 10.144 1.00 72.31 C ATOM 1282 CG PRO A 85 1.113 -0.364 11.482 1.00 75.12 C ATOM 1283 CD PRO A 85 2.356 0.184 12.119 1.00 73.22 C ATOM 0 HA PRO A 85 1.959 2.215 9.528 1.00 33.04 H new ATOM 0 HB2 PRO A 85 0.026 0.259 9.749 1.00 72.31 H new ATOM 0 HB3 PRO A 85 1.673 -0.244 9.422 1.00 72.31 H new ATOM 0 HG2 PRO A 85 0.230 -0.129 12.077 1.00 75.12 H new ATOM 0 HG3 PRO A 85 1.161 -1.450 11.398 1.00 75.12 H new ATOM 0 HD2 PRO A 85 2.242 0.290 13.198 1.00 73.22 H new ATOM 0 HD3 PRO A 85 3.214 -0.467 11.952 1.00 73.22 H new ATOM 1291 N THR A 86 0.314 3.118 11.998 1.00 73.35 N ATOM 1292 CA THR A 86 -0.790 3.966 12.434 1.00 25.33 C ATOM 1293 C THR A 86 -0.291 5.341 12.921 1.00 63.22 C ATOM 1294 O THR A 86 -1.091 6.208 13.292 1.00 10.33 O ATOM 1295 CB THR A 86 -1.674 3.242 13.508 1.00 53.21 C ATOM 1296 OG1 THR A 86 -2.804 4.040 13.868 1.00 45.13 O ATOM 1297 CG2 THR A 86 -0.903 2.890 14.767 1.00 21.32 C ATOM 0 H THR A 86 1.045 2.976 12.695 1.00 73.35 H new ATOM 0 HA THR A 86 -1.427 4.152 11.569 1.00 25.33 H new ATOM 0 HB THR A 86 -2.005 2.314 13.041 1.00 53.21 H new ATOM 0 HG1 THR A 86 -2.584 4.988 13.756 1.00 45.13 H new ATOM 0 HG21 THR A 86 -1.567 2.391 15.473 1.00 21.32 H new ATOM 0 HG22 THR A 86 -0.077 2.225 14.514 1.00 21.32 H new ATOM 0 HG23 THR A 86 -0.510 3.800 15.220 1.00 21.32 H new ATOM 1305 N ASP A 87 1.028 5.558 12.873 1.00 23.13 N ATOM 1306 CA ASP A 87 1.607 6.842 13.244 1.00 50.11 C ATOM 1307 C ASP A 87 1.651 7.755 12.021 1.00 25.03 C ATOM 1308 O ASP A 87 2.629 7.769 11.263 1.00 12.52 O ATOM 1309 CB ASP A 87 3.002 6.655 13.858 1.00 55.04 C ATOM 1310 CG ASP A 87 3.559 7.927 14.460 1.00 2.14 C ATOM 1311 OD1 ASP A 87 2.817 8.642 15.158 1.00 64.45 O ATOM 1312 OD2 ASP A 87 4.750 8.212 14.252 1.00 23.20 O ATOM 0 H ASP A 87 1.710 4.858 12.580 1.00 23.13 H new ATOM 0 HA ASP A 87 0.982 7.311 14.004 1.00 50.11 H new ATOM 0 HB2 ASP A 87 2.953 5.886 14.629 1.00 55.04 H new ATOM 0 HB3 ASP A 87 3.686 6.294 13.090 1.00 55.04 H new ATOM 1317 N ILE A 88 0.549 8.473 11.817 1.00 50.45 N ATOM 1318 CA ILE A 88 0.370 9.355 10.672 1.00 61.20 C ATOM 1319 C ILE A 88 -0.861 10.230 10.887 1.00 34.24 C ATOM 1320 O ILE A 88 -1.912 9.770 11.349 1.00 33.12 O ATOM 1321 CB ILE A 88 0.279 8.548 9.326 1.00 14.31 C ATOM 1322 CG1 ILE A 88 0.194 9.475 8.105 1.00 3.20 C ATOM 1323 CG2 ILE A 88 -0.898 7.574 9.327 1.00 3.10 C ATOM 1324 CD1 ILE A 88 1.429 10.314 7.871 1.00 72.11 C ATOM 0 H ILE A 88 -0.251 8.457 12.449 1.00 50.45 H new ATOM 0 HA ILE A 88 1.246 9.999 10.588 1.00 61.20 H new ATOM 0 HB ILE A 88 1.201 7.972 9.252 1.00 14.31 H new ATOM 0 HG12 ILE A 88 0.007 8.871 7.217 1.00 3.20 H new ATOM 0 HG13 ILE A 88 -0.663 10.138 8.226 1.00 3.20 H new ATOM 0 HG21 ILE A 88 -0.926 7.036 8.379 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -0.781 6.863 10.145 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -1.828 8.127 9.457 1.00 3.10 H new ATOM 0 HD11 ILE A 88 1.283 10.938 6.990 1.00 72.11 H new ATOM 0 HD12 ILE A 88 1.608 10.948 8.739 1.00 72.11 H new ATOM 0 HD13 ILE A 88 2.288 9.661 7.715 1.00 72.11 H new ATOM 1336 N LYS A 89 -0.693 11.509 10.597 1.00 21.32 N ATOM 1337 CA LYS A 89 -1.755 12.474 10.744 1.00 40.21 C ATOM 1338 C LYS A 89 -1.931 13.265 9.454 1.00 55.20 C ATOM 1339 O LYS A 89 -0.958 13.738 8.853 1.00 24.50 O ATOM 1340 CB LYS A 89 -1.479 13.395 11.936 1.00 2.24 C ATOM 1341 CG LYS A 89 -1.588 12.690 13.282 1.00 24.52 C ATOM 1342 CD LYS A 89 -1.408 13.642 14.447 1.00 61.43 C ATOM 1343 CE LYS A 89 -1.347 12.885 15.760 1.00 3.40 C ATOM 1344 NZ LYS A 89 -1.242 13.802 16.921 1.00 54.53 N ATOM 0 H LYS A 89 0.184 11.901 10.254 1.00 21.32 H new ATOM 0 HA LYS A 89 -2.689 11.948 10.943 1.00 40.21 H new ATOM 0 HB2 LYS A 89 -0.479 13.818 11.835 1.00 2.24 H new ATOM 0 HB3 LYS A 89 -2.181 14.228 11.912 1.00 2.24 H new ATOM 0 HG2 LYS A 89 -2.562 12.206 13.358 1.00 24.52 H new ATOM 0 HG3 LYS A 89 -0.836 11.903 13.339 1.00 24.52 H new ATOM 0 HD2 LYS A 89 -0.493 14.219 14.312 1.00 61.43 H new ATOM 0 HD3 LYS A 89 -2.233 14.354 14.471 1.00 61.43 H new ATOM 0 HE2 LYS A 89 -2.239 12.267 15.865 1.00 3.40 H new ATOM 0 HE3 LYS A 89 -0.491 12.211 15.751 1.00 3.40 H new ATOM 0 HZ1 LYS A 89 -1.203 13.247 17.799 1.00 54.53 H new ATOM 0 HZ2 LYS A 89 -0.378 14.374 16.834 1.00 54.53 H new ATOM 0 HZ3 LYS A 89 -2.072 14.429 16.944 1.00 54.53 H new ATOM 1358 N TYR A 90 -3.177 13.362 9.016 1.00 63.34 N ATOM 1359 CA TYR A 90 -3.510 14.039 7.767 1.00 33.22 C ATOM 1360 C TYR A 90 -4.164 15.381 8.050 1.00 63.51 C ATOM 1361 O TYR A 90 -4.959 15.519 8.983 1.00 61.01 O ATOM 1362 CB TYR A 90 -4.446 13.178 6.896 1.00 45.14 C ATOM 1363 CG TYR A 90 -3.943 11.770 6.676 1.00 24.43 C ATOM 1364 CD1 TYR A 90 -2.822 11.528 5.894 1.00 45.20 C ATOM 1365 CD2 TYR A 90 -4.570 10.693 7.274 1.00 72.33 C ATOM 1366 CE1 TYR A 90 -2.349 10.248 5.708 1.00 53.21 C ATOM 1367 CE2 TYR A 90 -4.097 9.411 7.101 1.00 12.30 C ATOM 1368 CZ TYR A 90 -2.986 9.195 6.321 1.00 12.43 C ATOM 1369 OH TYR A 90 -2.504 7.921 6.160 1.00 12.43 O ATOM 0 H TYR A 90 -3.982 12.978 9.510 1.00 63.34 H new ATOM 0 HA TYR A 90 -2.581 14.199 7.219 1.00 33.22 H new ATOM 0 HB2 TYR A 90 -5.428 13.135 7.366 1.00 45.14 H new ATOM 0 HB3 TYR A 90 -4.577 13.663 5.929 1.00 45.14 H new ATOM 0 HD1 TYR A 90 -2.313 12.356 5.424 1.00 45.20 H new ATOM 0 HD2 TYR A 90 -5.444 10.859 7.886 1.00 72.33 H new ATOM 0 HE1 TYR A 90 -1.484 10.073 5.085 1.00 53.21 H new ATOM 0 HE2 TYR A 90 -4.597 8.580 7.576 1.00 12.30 H new ATOM 0 HH TYR A 90 -3.067 7.293 6.659 1.00 12.43 H new ATOM 1379 N LYS A 91 -3.817 16.369 7.242 1.00 14.30 N ATOM 1380 CA LYS A 91 -4.436 17.683 7.326 1.00 4.24 C ATOM 1381 C LYS A 91 -5.186 17.955 6.030 1.00 3.44 C ATOM 1382 O LYS A 91 -4.709 18.675 5.152 1.00 13.41 O ATOM 1383 CB LYS A 91 -3.384 18.793 7.617 1.00 35.40 C ATOM 1384 CG LYS A 91 -1.909 18.457 7.291 1.00 40.41 C ATOM 1385 CD LYS A 91 -1.588 18.358 5.789 1.00 71.54 C ATOM 1386 CE LYS A 91 -1.708 19.692 5.055 1.00 33.45 C ATOM 1387 NZ LYS A 91 -0.775 20.719 5.575 1.00 33.22 N ATOM 0 H LYS A 91 -3.106 16.286 6.516 1.00 14.30 H new ATOM 0 HA LYS A 91 -5.138 17.696 8.160 1.00 4.24 H new ATOM 0 HB2 LYS A 91 -3.663 19.682 7.052 1.00 35.40 H new ATOM 0 HB3 LYS A 91 -3.448 19.053 8.673 1.00 35.40 H new ATOM 0 HG2 LYS A 91 -1.270 19.220 7.735 1.00 40.41 H new ATOM 0 HG3 LYS A 91 -1.653 17.510 7.766 1.00 40.41 H new ATOM 0 HD2 LYS A 91 -0.576 17.974 5.666 1.00 71.54 H new ATOM 0 HD3 LYS A 91 -2.262 17.636 5.328 1.00 71.54 H new ATOM 0 HE2 LYS A 91 -1.515 19.536 3.994 1.00 33.45 H new ATOM 0 HE3 LYS A 91 -2.731 20.059 5.142 1.00 33.45 H new ATOM 0 HZ1 LYS A 91 -0.911 21.608 5.053 1.00 33.22 H new ATOM 0 HZ2 LYS A 91 -0.963 20.879 6.585 1.00 33.22 H new ATOM 0 HZ3 LYS A 91 0.205 20.392 5.452 1.00 33.22 H new ATOM 1401 N ASP A 92 -6.377 17.384 5.910 1.00 55.52 N ATOM 1402 CA ASP A 92 -7.081 17.364 4.642 1.00 13.01 C ATOM 1403 C ASP A 92 -8.538 16.981 4.885 1.00 15.00 C ATOM 1404 O ASP A 92 -8.901 16.611 6.004 1.00 32.12 O ATOM 1405 CB ASP A 92 -6.391 16.357 3.708 1.00 43.31 C ATOM 1406 CG ASP A 92 -6.794 16.478 2.256 1.00 61.45 C ATOM 1407 OD1 ASP A 92 -6.910 17.607 1.759 1.00 43.35 O ATOM 1408 OD2 ASP A 92 -6.997 15.435 1.616 1.00 43.40 O ATOM 0 H ASP A 92 -6.873 16.930 6.677 1.00 55.52 H new ATOM 0 HA ASP A 92 -7.058 18.348 4.173 1.00 13.01 H new ATOM 0 HB2 ASP A 92 -5.312 16.488 3.785 1.00 43.31 H new ATOM 0 HB3 ASP A 92 -6.615 15.347 4.052 1.00 43.31 H new ATOM 1413 N ASN A 93 -9.366 17.060 3.848 1.00 74.41 N ATOM 1414 CA ASN A 93 -10.726 16.530 3.910 1.00 44.53 C ATOM 1415 C ASN A 93 -10.795 15.125 3.300 1.00 54.14 C ATOM 1416 O ASN A 93 -11.881 14.574 3.110 1.00 22.21 O ATOM 1417 CB ASN A 93 -11.718 17.463 3.202 1.00 1.03 C ATOM 1418 CG ASN A 93 -11.901 18.788 3.925 1.00 13.12 C ATOM 1419 OD1 ASN A 93 -11.731 18.882 5.143 1.00 53.42 O ATOM 1420 ND2 ASN A 93 -12.277 19.813 3.188 1.00 13.24 N ATOM 0 H ASN A 93 -9.120 17.486 2.954 1.00 74.41 H new ATOM 0 HA ASN A 93 -11.005 16.467 4.962 1.00 44.53 H new ATOM 0 HB2 ASN A 93 -11.369 17.654 2.187 1.00 1.03 H new ATOM 0 HB3 ASN A 93 -12.683 16.964 3.119 1.00 1.03 H new ATOM 0 HD21 ASN A 93 -12.437 20.722 3.622 1.00 13.24 H new ATOM 0 HD22 ASN A 93 -12.408 19.698 2.183 1.00 13.24 H new ATOM 1427 N ASP A 94 -9.631 14.543 3.003 1.00 1.21 N ATOM 1428 CA ASP A 94 -9.556 13.167 2.537 1.00 73.11 C ATOM 1429 C ASP A 94 -8.487 12.441 3.334 1.00 72.52 C ATOM 1430 O ASP A 94 -8.803 11.625 4.199 1.00 63.31 O ATOM 1431 CB ASP A 94 -9.236 13.076 1.028 1.00 74.14 C ATOM 1432 CG ASP A 94 -9.675 11.759 0.412 1.00 74.51 C ATOM 1433 OD1 ASP A 94 -10.436 11.007 1.061 1.00 32.34 O ATOM 1434 OD2 ASP A 94 -9.300 11.492 -0.742 1.00 23.22 O ATOM 0 H ASP A 94 -8.727 15.010 3.079 1.00 1.21 H new ATOM 0 HA ASP A 94 -10.531 12.703 2.686 1.00 73.11 H new ATOM 0 HB2 ASP A 94 -9.728 13.897 0.507 1.00 74.14 H new ATOM 0 HB3 ASP A 94 -8.163 13.201 0.880 1.00 74.14 H new ATOM 1439 N GLY A 95 -7.227 12.811 3.101 1.00 62.31 N ATOM 1440 CA GLY A 95 -6.118 12.072 3.661 1.00 4.34 C ATOM 1441 C GLY A 95 -4.781 12.466 3.067 1.00 10.11 C ATOM 1442 O GLY A 95 -4.004 11.602 2.677 1.00 42.20 O ATOM 0 H GLY A 95 -6.960 13.614 2.531 1.00 62.31 H new ATOM 0 HA2 GLY A 95 -6.091 12.231 4.739 1.00 4.34 H new ATOM 0 HA3 GLY A 95 -6.281 11.006 3.500 1.00 4.34 H new ATOM 1446 N HIS A 96 -4.502 13.762 3.010 1.00 65.22 N ATOM 1447 CA HIS A 96 -3.201 14.249 2.548 1.00 20.33 C ATOM 1448 C HIS A 96 -2.320 14.571 3.740 1.00 41.44 C ATOM 1449 O HIS A 96 -2.759 15.204 4.697 1.00 45.35 O ATOM 1450 CB HIS A 96 -3.322 15.498 1.658 1.00 32.23 C ATOM 1451 CG HIS A 96 -3.924 15.256 0.301 1.00 5.45 C ATOM 1452 ND1 HIS A 96 -4.584 16.233 -0.411 1.00 21.42 N ATOM 1453 CD2 HIS A 96 -3.966 14.146 -0.470 1.00 41.22 C ATOM 1454 CE1 HIS A 96 -5.007 15.737 -1.555 1.00 21.32 C ATOM 1455 NE2 HIS A 96 -4.644 14.473 -1.614 1.00 3.23 N ATOM 0 H HIS A 96 -5.156 14.497 3.277 1.00 65.22 H new ATOM 0 HA HIS A 96 -2.757 13.455 1.948 1.00 20.33 H new ATOM 0 HB2 HIS A 96 -3.926 16.240 2.180 1.00 32.23 H new ATOM 0 HB3 HIS A 96 -2.330 15.930 1.527 1.00 32.23 H new ATOM 0 HD2 HIS A 96 -3.544 13.182 -0.229 1.00 41.22 H new ATOM 0 HE1 HIS A 96 -5.557 16.274 -2.314 1.00 21.32 H new ATOM 0 HE2 HIS A 96 -4.837 13.838 -2.389 1.00 3.23 H new ATOM 1464 N THR A 97 -1.079 14.142 3.661 1.00 4.11 N ATOM 1465 CA THR A 97 -0.129 14.321 4.745 1.00 30.34 C ATOM 1466 C THR A 97 0.891 15.401 4.387 1.00 10.21 C ATOM 1467 O THR A 97 1.268 15.558 3.223 1.00 34.02 O ATOM 1468 CB THR A 97 0.573 12.985 5.110 1.00 72.00 C ATOM 1469 OG1 THR A 97 1.647 13.199 6.036 1.00 73.10 O ATOM 1470 CG2 THR A 97 1.096 12.273 3.872 1.00 21.33 C ATOM 0 H THR A 97 -0.698 13.660 2.847 1.00 4.11 H new ATOM 0 HA THR A 97 -0.680 14.649 5.627 1.00 30.34 H new ATOM 0 HB THR A 97 -0.177 12.351 5.582 1.00 72.00 H new ATOM 0 HG1 THR A 97 2.339 12.519 5.897 1.00 73.10 H new ATOM 0 HG21 THR A 97 1.581 11.342 4.165 1.00 21.33 H new ATOM 0 HG22 THR A 97 0.266 12.054 3.200 1.00 21.33 H new ATOM 0 HG23 THR A 97 1.816 12.912 3.362 1.00 21.33 H new ATOM 1478 N ASP A 98 1.309 16.151 5.400 1.00 14.41 N ATOM 1479 CA ASP A 98 2.274 17.235 5.230 1.00 71.13 C ATOM 1480 C ASP A 98 3.714 16.703 5.343 1.00 34.32 C ATOM 1481 O ASP A 98 4.676 17.389 4.996 1.00 65.52 O ATOM 1482 CB ASP A 98 2.014 18.298 6.309 1.00 11.02 C ATOM 1483 CG ASP A 98 2.549 19.667 5.952 1.00 63.34 C ATOM 1484 OD1 ASP A 98 2.069 20.249 4.963 1.00 42.21 O ATOM 1485 OD2 ASP A 98 3.416 20.183 6.680 1.00 2.42 O ATOM 0 H ASP A 98 0.990 16.027 6.361 1.00 14.41 H new ATOM 0 HA ASP A 98 2.156 17.675 4.240 1.00 71.13 H new ATOM 0 HB2 ASP A 98 0.941 18.371 6.484 1.00 11.02 H new ATOM 0 HB3 ASP A 98 2.468 17.972 7.245 1.00 11.02 H new ATOM 1490 N ALA A 99 3.838 15.457 5.791 1.00 64.32 N ATOM 1491 CA ALA A 99 5.125 14.889 6.163 1.00 23.42 C ATOM 1492 C ALA A 99 5.720 13.977 5.084 1.00 72.40 C ATOM 1493 O ALA A 99 6.838 13.487 5.248 1.00 43.43 O ATOM 1494 CB ALA A 99 4.976 14.135 7.476 1.00 22.24 C ATOM 0 H ALA A 99 3.052 14.817 5.905 1.00 64.32 H new ATOM 0 HA ALA A 99 5.826 15.715 6.277 1.00 23.42 H new ATOM 0 HB1 ALA A 99 5.937 13.707 7.761 1.00 22.24 H new ATOM 0 HB2 ALA A 99 4.640 14.821 8.253 1.00 22.24 H new ATOM 0 HB3 ALA A 99 4.244 13.336 7.356 1.00 22.24 H new ATOM 1500 N ILE A 100 4.997 13.740 3.981 1.00 71.14 N ATOM 1501 CA ILE A 100 5.540 12.917 2.895 1.00 41.30 C ATOM 1502 C ILE A 100 5.662 13.751 1.621 1.00 41.44 C ATOM 1503 O ILE A 100 4.667 14.055 0.956 1.00 44.24 O ATOM 1504 CB ILE A 100 4.708 11.634 2.592 1.00 23.02 C ATOM 1505 CG1 ILE A 100 4.476 10.821 3.874 1.00 62.34 C ATOM 1506 CG2 ILE A 100 5.428 10.771 1.544 1.00 0.51 C ATOM 1507 CD1 ILE A 100 3.612 9.590 3.684 1.00 10.12 C ATOM 0 H ILE A 100 4.056 14.098 3.819 1.00 71.14 H new ATOM 0 HA ILE A 100 6.518 12.580 3.237 1.00 41.30 H new ATOM 0 HB ILE A 100 3.739 11.939 2.197 1.00 23.02 H new ATOM 0 HG12 ILE A 100 5.442 10.514 4.276 1.00 62.34 H new ATOM 0 HG13 ILE A 100 4.011 11.466 4.620 1.00 62.34 H new ATOM 0 HG21 ILE A 100 4.838 9.878 1.340 1.00 0.51 H new ATOM 0 HG22 ILE A 100 5.550 11.343 0.624 1.00 0.51 H new ATOM 0 HG23 ILE A 100 6.408 10.480 1.923 1.00 0.51 H new ATOM 0 HD11 ILE A 100 3.499 9.074 4.638 1.00 10.12 H new ATOM 0 HD12 ILE A 100 2.631 9.888 3.314 1.00 10.12 H new ATOM 0 HD13 ILE A 100 4.084 8.922 2.964 1.00 10.12 H new ATOM 1519 N SER A 101 6.891 14.140 1.323 1.00 53.23 N ATOM 1520 CA SER A 101 7.211 14.826 0.082 1.00 63.13 C ATOM 1521 C SER A 101 7.328 13.818 -1.060 1.00 71.41 C ATOM 1522 O SER A 101 8.084 12.850 -0.959 1.00 4.01 O ATOM 1523 CB SER A 101 8.522 15.595 0.250 1.00 44.02 C ATOM 1524 OG SER A 101 8.466 16.455 1.379 1.00 54.14 O ATOM 0 H SER A 101 7.694 13.989 1.934 1.00 53.23 H new ATOM 0 HA SER A 101 6.413 15.529 -0.159 1.00 63.13 H new ATOM 0 HB2 SER A 101 9.348 14.893 0.364 1.00 44.02 H new ATOM 0 HB3 SER A 101 8.722 16.180 -0.648 1.00 44.02 H new ATOM 0 HG SER A 101 9.316 16.935 1.467 1.00 54.14 H new ATOM 1530 N GLY A 102 6.567 14.040 -2.128 1.00 74.31 N ATOM 1531 CA GLY A 102 6.565 13.125 -3.257 1.00 13.53 C ATOM 1532 C GLY A 102 5.203 12.503 -3.507 1.00 14.42 C ATOM 1533 O GLY A 102 4.885 12.124 -4.635 1.00 40.32 O ATOM 0 H GLY A 102 5.947 14.843 -2.232 1.00 74.31 H new ATOM 0 HA2 GLY A 102 6.886 13.658 -4.152 1.00 13.53 H new ATOM 0 HA3 GLY A 102 7.294 12.334 -3.079 1.00 13.53 H new ATOM 1537 N ALA A 103 4.402 12.392 -2.452 1.00 63.41 N ATOM 1538 CA ALA A 103 3.070 11.818 -2.558 1.00 32.22 C ATOM 1539 C ALA A 103 2.009 12.910 -2.550 1.00 32.25 C ATOM 1540 O ALA A 103 1.847 13.634 -1.565 1.00 70.11 O ATOM 1541 CB ALA A 103 2.829 10.836 -1.429 1.00 11.42 C ATOM 0 H ALA A 103 4.656 12.694 -1.511 1.00 63.41 H new ATOM 0 HA ALA A 103 3.001 11.284 -3.506 1.00 32.22 H new ATOM 0 HB1 ALA A 103 1.828 10.414 -1.521 1.00 11.42 H new ATOM 0 HB2 ALA A 103 3.566 10.035 -1.480 1.00 11.42 H new ATOM 0 HB3 ALA A 103 2.919 11.352 -0.473 1.00 11.42 H new ATOM 1547 N THR A 104 1.294 13.023 -3.661 1.00 11.53 N ATOM 1548 CA THR A 104 0.225 14.010 -3.803 1.00 21.40 C ATOM 1549 C THR A 104 -1.152 13.351 -3.671 1.00 72.33 C ATOM 1550 O THR A 104 -2.183 14.027 -3.630 1.00 44.21 O ATOM 1551 CB THR A 104 0.324 14.750 -5.159 1.00 2.25 C ATOM 1552 OG1 THR A 104 0.375 13.812 -6.245 1.00 51.34 O ATOM 1553 CG2 THR A 104 1.556 15.645 -5.204 1.00 31.21 C ATOM 0 H THR A 104 1.435 12.439 -4.485 1.00 11.53 H new ATOM 0 HA THR A 104 0.345 14.737 -3.000 1.00 21.40 H new ATOM 0 HB THR A 104 -0.566 15.370 -5.262 1.00 2.25 H new ATOM 0 HG1 THR A 104 0.474 12.904 -5.889 1.00 51.34 H new ATOM 0 HG21 THR A 104 1.602 16.153 -6.167 1.00 31.21 H new ATOM 0 HG22 THR A 104 1.498 16.385 -4.406 1.00 31.21 H new ATOM 0 HG23 THR A 104 2.452 15.038 -5.071 1.00 31.21 H new ATOM 1561 N ILE A 105 -1.144 12.025 -3.588 1.00 74.03 N ATOM 1562 CA ILE A 105 -2.349 11.227 -3.470 1.00 70.15 C ATOM 1563 C ILE A 105 -2.663 10.984 -1.979 1.00 70.45 C ATOM 1564 O ILE A 105 -1.763 11.063 -1.138 1.00 40.45 O ATOM 1565 CB ILE A 105 -2.169 9.906 -4.303 1.00 24.13 C ATOM 1566 CG1 ILE A 105 -3.477 9.075 -4.414 1.00 74.02 C ATOM 1567 CG2 ILE A 105 -0.995 9.065 -3.786 1.00 21.34 C ATOM 1568 CD1 ILE A 105 -3.694 7.988 -3.367 1.00 63.00 C ATOM 0 H ILE A 105 -0.287 11.472 -3.601 1.00 74.03 H new ATOM 0 HA ILE A 105 -3.213 11.748 -3.883 1.00 70.15 H new ATOM 0 HB ILE A 105 -1.925 10.216 -5.319 1.00 24.13 H new ATOM 0 HG12 ILE A 105 -4.321 9.763 -4.369 1.00 74.02 H new ATOM 0 HG13 ILE A 105 -3.499 8.607 -5.398 1.00 74.02 H new ATOM 0 HG21 ILE A 105 -0.903 8.160 -4.387 1.00 21.34 H new ATOM 0 HG22 ILE A 105 -0.074 9.643 -3.857 1.00 21.34 H new ATOM 0 HG23 ILE A 105 -1.173 8.793 -2.746 1.00 21.34 H new ATOM 0 HD11 ILE A 105 -4.641 7.484 -3.557 1.00 63.00 H new ATOM 0 HD12 ILE A 105 -2.881 7.264 -3.420 1.00 63.00 H new ATOM 0 HD13 ILE A 105 -3.715 8.438 -2.374 1.00 63.00 H new ATOM 1580 N LYS A 106 -3.961 10.797 -1.666 1.00 31.42 N ATOM 1581 CA LYS A 106 -4.433 10.413 -0.331 1.00 64.24 C ATOM 1582 C LYS A 106 -3.732 9.138 0.219 1.00 13.14 C ATOM 1583 O LYS A 106 -4.010 8.003 -0.172 1.00 23.22 O ATOM 1584 CB LYS A 106 -5.983 10.272 -0.308 1.00 65.21 C ATOM 1585 CG LYS A 106 -6.599 9.287 -1.316 1.00 70.22 C ATOM 1586 CD LYS A 106 -6.901 9.929 -2.666 1.00 32.55 C ATOM 1587 CE LYS A 106 -7.324 8.896 -3.711 1.00 22.22 C ATOM 1588 NZ LYS A 106 -8.622 8.258 -3.382 1.00 44.13 N ATOM 0 H LYS A 106 -4.715 10.911 -2.344 1.00 31.42 H new ATOM 0 HA LYS A 106 -4.154 11.222 0.344 1.00 64.24 H new ATOM 0 HB2 LYS A 106 -6.283 9.966 0.694 1.00 65.21 H new ATOM 0 HB3 LYS A 106 -6.417 11.256 -0.484 1.00 65.21 H new ATOM 0 HG2 LYS A 106 -5.916 8.450 -1.462 1.00 70.22 H new ATOM 0 HG3 LYS A 106 -7.520 8.878 -0.900 1.00 70.22 H new ATOM 0 HD2 LYS A 106 -7.693 10.669 -2.546 1.00 32.55 H new ATOM 0 HD3 LYS A 106 -6.018 10.462 -3.020 1.00 32.55 H new ATOM 0 HE2 LYS A 106 -7.396 9.378 -4.686 1.00 22.22 H new ATOM 0 HE3 LYS A 106 -6.555 8.128 -3.791 1.00 22.22 H new ATOM 0 HZ1 LYS A 106 -8.866 7.566 -4.119 1.00 44.13 H new ATOM 0 HZ2 LYS A 106 -8.548 7.774 -2.464 1.00 44.13 H new ATOM 0 HZ3 LYS A 106 -9.363 8.985 -3.332 1.00 44.13 H new ATOM 1602 N VAL A 107 -2.845 9.376 1.183 1.00 12.21 N ATOM 1603 CA VAL A 107 -1.973 8.357 1.791 1.00 1.44 C ATOM 1604 C VAL A 107 -2.747 7.478 2.814 1.00 60.45 C ATOM 1605 O VAL A 107 -2.261 6.435 3.275 1.00 72.21 O ATOM 1606 CB VAL A 107 -0.731 9.100 2.407 1.00 33.04 C ATOM 1607 CG1 VAL A 107 0.081 8.274 3.380 1.00 70.32 C ATOM 1608 CG2 VAL A 107 0.189 9.552 1.291 1.00 44.22 C ATOM 0 H VAL A 107 -2.704 10.306 1.578 1.00 12.21 H new ATOM 0 HA VAL A 107 -1.619 7.650 1.040 1.00 1.44 H new ATOM 0 HB VAL A 107 -1.143 9.937 2.971 1.00 33.04 H new ATOM 0 HG11 VAL A 107 0.916 8.868 3.753 1.00 70.32 H new ATOM 0 HG12 VAL A 107 -0.550 7.971 4.215 1.00 70.32 H new ATOM 0 HG13 VAL A 107 0.464 7.388 2.874 1.00 70.32 H new ATOM 0 HG21 VAL A 107 1.050 10.067 1.716 1.00 44.22 H new ATOM 0 HG22 VAL A 107 0.528 8.684 0.725 1.00 44.22 H new ATOM 0 HG23 VAL A 107 -0.349 10.230 0.628 1.00 44.22 H new ATOM 1618 N LYS A 108 -3.995 7.877 3.080 1.00 3.43 N ATOM 1619 CA LYS A 108 -4.924 7.164 3.976 1.00 15.44 C ATOM 1620 C LYS A 108 -5.125 5.689 3.593 1.00 52.40 C ATOM 1621 O LYS A 108 -5.237 4.850 4.472 1.00 45.31 O ATOM 1622 CB LYS A 108 -6.277 7.888 4.006 1.00 42.33 C ATOM 1623 CG LYS A 108 -6.766 8.295 2.623 1.00 65.23 C ATOM 1624 CD LYS A 108 -8.132 8.942 2.638 1.00 72.12 C ATOM 1625 CE LYS A 108 -9.246 7.964 2.936 1.00 61.53 C ATOM 1626 NZ LYS A 108 -10.569 8.631 2.894 1.00 21.02 N ATOM 0 H LYS A 108 -4.400 8.720 2.673 1.00 3.43 H new ATOM 0 HA LYS A 108 -4.471 7.169 4.968 1.00 15.44 H new ATOM 0 HB2 LYS A 108 -7.019 7.239 4.471 1.00 42.33 H new ATOM 0 HB3 LYS A 108 -6.193 8.777 4.632 1.00 42.33 H new ATOM 0 HG2 LYS A 108 -6.049 8.987 2.181 1.00 65.23 H new ATOM 0 HG3 LYS A 108 -6.796 7.414 1.982 1.00 65.23 H new ATOM 0 HD2 LYS A 108 -8.144 9.736 3.385 1.00 72.12 H new ATOM 0 HD3 LYS A 108 -8.316 9.411 1.671 1.00 72.12 H new ATOM 0 HE2 LYS A 108 -9.223 7.150 2.211 1.00 61.53 H new ATOM 0 HE3 LYS A 108 -9.091 7.520 3.919 1.00 61.53 H new ATOM 0 HZ1 LYS A 108 -11.288 7.956 2.563 1.00 21.02 H new ATOM 0 HZ2 LYS A 108 -10.820 8.964 3.847 1.00 21.02 H new ATOM 0 HZ3 LYS A 108 -10.529 9.441 2.243 1.00 21.02 H new ATOM 1640 N LYS A 109 -5.120 5.380 2.282 1.00 63.45 N ATOM 1641 CA LYS A 109 -5.320 4.009 1.794 1.00 42.23 C ATOM 1642 C LYS A 109 -4.119 3.108 2.143 1.00 13.32 C ATOM 1643 O LYS A 109 -4.283 1.917 2.375 1.00 74.34 O ATOM 1644 CB LYS A 109 -5.542 4.030 0.273 1.00 41.31 C ATOM 1645 CG LYS A 109 -6.143 2.750 -0.307 1.00 74.55 C ATOM 1646 CD LYS A 109 -7.617 2.614 0.047 1.00 33.24 C ATOM 1647 CE LYS A 109 -8.338 1.614 -0.849 1.00 24.32 C ATOM 1648 NZ LYS A 109 -8.478 2.101 -2.253 1.00 52.03 N ATOM 0 H LYS A 109 -4.979 6.067 1.542 1.00 63.45 H new ATOM 0 HA LYS A 109 -6.200 3.595 2.286 1.00 42.23 H new ATOM 0 HB2 LYS A 109 -6.198 4.866 0.028 1.00 41.31 H new ATOM 0 HB3 LYS A 109 -4.587 4.220 -0.216 1.00 41.31 H new ATOM 0 HG2 LYS A 109 -6.027 2.751 -1.391 1.00 74.55 H new ATOM 0 HG3 LYS A 109 -5.596 1.886 0.071 1.00 74.55 H new ATOM 0 HD2 LYS A 109 -7.711 2.300 1.087 1.00 33.24 H new ATOM 0 HD3 LYS A 109 -8.100 3.588 -0.037 1.00 33.24 H new ATOM 0 HE2 LYS A 109 -7.792 0.671 -0.848 1.00 24.32 H new ATOM 0 HE3 LYS A 109 -9.327 1.410 -0.438 1.00 24.32 H new ATOM 0 HZ1 LYS A 109 -9.333 1.690 -2.680 1.00 52.03 H new ATOM 0 HZ2 LYS A 109 -8.555 3.138 -2.255 1.00 52.03 H new ATOM 0 HZ3 LYS A 109 -7.644 1.815 -2.804 1.00 52.03 H new ATOM 1662 N PHE A 110 -2.923 3.696 2.195 1.00 34.03 N ATOM 1663 CA PHE A 110 -1.700 2.961 2.508 1.00 11.30 C ATOM 1664 C PHE A 110 -1.672 2.539 3.972 1.00 43.24 C ATOM 1665 O PHE A 110 -1.536 1.358 4.264 1.00 74.44 O ATOM 1666 CB PHE A 110 -0.458 3.810 2.168 1.00 32.41 C ATOM 1667 CG PHE A 110 0.856 3.175 2.536 1.00 75.41 C ATOM 1668 CD1 PHE A 110 1.411 2.174 1.760 1.00 61.13 C ATOM 1669 CD2 PHE A 110 1.520 3.580 3.676 1.00 51.25 C ATOM 1670 CE1 PHE A 110 2.609 1.588 2.126 1.00 51.24 C ATOM 1671 CE2 PHE A 110 2.711 3.007 4.042 1.00 41.33 C ATOM 1672 CZ PHE A 110 3.256 2.007 3.273 1.00 52.44 C ATOM 0 H PHE A 110 -2.777 4.690 2.022 1.00 34.03 H new ATOM 0 HA PHE A 110 -1.684 2.059 1.897 1.00 11.30 H new ATOM 0 HB2 PHE A 110 -0.459 4.018 1.098 1.00 32.41 H new ATOM 0 HB3 PHE A 110 -0.539 4.769 2.680 1.00 32.41 H new ATOM 0 HD1 PHE A 110 0.906 1.848 0.863 1.00 61.13 H new ATOM 0 HD2 PHE A 110 1.095 4.361 4.290 1.00 51.25 H new ATOM 0 HE1 PHE A 110 3.038 0.805 1.517 1.00 51.24 H new ATOM 0 HE2 PHE A 110 3.220 3.341 4.934 1.00 41.33 H new ATOM 0 HZ PHE A 110 4.189 1.549 3.565 1.00 52.44 H new ATOM 1682 N PHE A 111 -1.809 3.506 4.876 1.00 72.43 N ATOM 1683 CA PHE A 111 -1.661 3.239 6.303 1.00 34.13 C ATOM 1684 C PHE A 111 -2.849 2.471 6.883 1.00 63.41 C ATOM 1685 O PHE A 111 -2.664 1.706 7.815 1.00 53.14 O ATOM 1686 CB PHE A 111 -1.410 4.530 7.080 1.00 22.22 C ATOM 1687 CG PHE A 111 0.013 5.034 6.988 1.00 21.45 C ATOM 1688 CD1 PHE A 111 0.984 4.563 7.855 1.00 53.05 C ATOM 1689 CD2 PHE A 111 0.374 5.988 6.056 1.00 31.25 C ATOM 1690 CE1 PHE A 111 2.278 5.033 7.796 1.00 45.02 C ATOM 1691 CE2 PHE A 111 1.673 6.457 5.990 1.00 32.45 C ATOM 1692 CZ PHE A 111 2.624 5.977 6.860 1.00 52.30 C ATOM 0 H PHE A 111 -2.021 4.477 4.647 1.00 72.43 H new ATOM 0 HA PHE A 111 -0.788 2.596 6.413 1.00 34.13 H new ATOM 0 HB2 PHE A 111 -2.083 5.303 6.709 1.00 22.22 H new ATOM 0 HB3 PHE A 111 -1.660 4.366 8.128 1.00 22.22 H new ATOM 0 HD1 PHE A 111 0.723 3.815 8.589 1.00 53.05 H new ATOM 0 HD2 PHE A 111 -0.367 6.372 5.371 1.00 31.25 H new ATOM 0 HE1 PHE A 111 3.020 4.659 8.486 1.00 45.02 H new ATOM 0 HE2 PHE A 111 1.941 7.201 5.255 1.00 32.45 H new ATOM 0 HZ PHE A 111 3.639 6.341 6.807 1.00 52.30 H new ATOM 1702 N ASP A 112 -4.044 2.634 6.302 1.00 74.51 N ATOM 1703 CA ASP A 112 -5.228 1.868 6.728 1.00 62.20 C ATOM 1704 C ASP A 112 -5.109 0.395 6.365 1.00 72.24 C ATOM 1705 O ASP A 112 -5.500 -0.471 7.148 1.00 53.01 O ATOM 1706 CB ASP A 112 -6.510 2.425 6.111 1.00 22.35 C ATOM 1707 CG ASP A 112 -7.242 3.378 7.028 1.00 71.42 C ATOM 1708 OD1 ASP A 112 -6.961 4.591 6.981 1.00 2.03 O ATOM 1709 OD2 ASP A 112 -8.120 2.921 7.790 1.00 65.12 O ATOM 0 H ASP A 112 -4.219 3.287 5.538 1.00 74.51 H new ATOM 0 HA ASP A 112 -5.278 1.965 7.813 1.00 62.20 H new ATOM 0 HB2 ASP A 112 -6.265 2.940 5.182 1.00 22.35 H new ATOM 0 HB3 ASP A 112 -7.171 1.598 5.853 1.00 22.35 H new ATOM 1714 N LEU A 113 -4.561 0.119 5.178 1.00 34.30 N ATOM 1715 CA LEU A 113 -4.370 -1.256 4.713 1.00 61.52 C ATOM 1716 C LEU A 113 -3.136 -1.897 5.349 1.00 20.24 C ATOM 1717 O LEU A 113 -3.039 -3.117 5.415 1.00 12.44 O ATOM 1718 CB LEU A 113 -4.284 -1.322 3.179 1.00 51.24 C ATOM 1719 CG LEU A 113 -5.615 -1.524 2.427 1.00 73.12 C ATOM 1720 CD1 LEU A 113 -6.291 -2.790 2.907 1.00 32.41 C ATOM 1721 CD2 LEU A 113 -6.559 -0.342 2.585 1.00 52.31 C ATOM 0 H LEU A 113 -4.242 0.831 4.521 1.00 34.30 H new ATOM 0 HA LEU A 113 -5.244 -1.825 5.028 1.00 61.52 H new ATOM 0 HB2 LEU A 113 -3.826 -0.399 2.822 1.00 51.24 H new ATOM 0 HB3 LEU A 113 -3.612 -2.136 2.909 1.00 51.24 H new ATOM 0 HG LEU A 113 -5.377 -1.608 1.367 1.00 73.12 H new ATOM 0 HD11 LEU A 113 -7.231 -2.926 2.372 1.00 32.41 H new ATOM 0 HD12 LEU A 113 -5.640 -3.644 2.720 1.00 32.41 H new ATOM 0 HD13 LEU A 113 -6.490 -2.713 3.976 1.00 32.41 H new ATOM 0 HD21 LEU A 113 -7.480 -0.536 2.036 1.00 52.31 H new ATOM 0 HD22 LEU A 113 -6.789 -0.199 3.641 1.00 52.31 H new ATOM 0 HD23 LEU A 113 -6.085 0.557 2.192 1.00 52.31 H new ATOM 1733 N ALA A 114 -2.197 -1.061 5.801 1.00 52.25 N ATOM 1734 CA ALA A 114 -1.065 -1.513 6.606 1.00 33.22 C ATOM 1735 C ALA A 114 -1.520 -1.982 7.990 1.00 30.11 C ATOM 1736 O ALA A 114 -1.007 -2.966 8.505 1.00 42.15 O ATOM 1737 CB ALA A 114 -0.032 -0.407 6.730 1.00 1.42 C ATOM 0 H ALA A 114 -2.202 -0.057 5.619 1.00 52.25 H new ATOM 0 HA ALA A 114 -0.609 -2.364 6.100 1.00 33.22 H new ATOM 0 HB1 ALA A 114 0.806 -0.758 7.332 1.00 1.42 H new ATOM 0 HB2 ALA A 114 0.325 -0.130 5.738 1.00 1.42 H new ATOM 0 HB3 ALA A 114 -0.484 0.462 7.209 1.00 1.42 H new ATOM 1743 N GLN A 115 -2.510 -1.283 8.563 1.00 14.14 N ATOM 1744 CA GLN A 115 -3.118 -1.667 9.847 1.00 3.53 C ATOM 1745 C GLN A 115 -3.919 -2.968 9.713 1.00 22.41 C ATOM 1746 O GLN A 115 -3.925 -3.797 10.623 1.00 61.22 O ATOM 1747 CB GLN A 115 -4.025 -0.543 10.357 1.00 4.14 C ATOM 1748 CG GLN A 115 -3.269 0.710 10.770 1.00 14.21 C ATOM 1749 CD GLN A 115 -4.158 1.938 10.869 1.00 42.30 C ATOM 1750 OE1 GLN A 115 -5.333 1.853 11.212 1.00 65.14 O ATOM 1751 NE2 GLN A 115 -3.599 3.090 10.538 1.00 3.53 N ATOM 0 H GLN A 115 -2.911 -0.440 8.153 1.00 14.14 H new ATOM 0 HA GLN A 115 -2.315 -1.835 10.565 1.00 3.53 H new ATOM 0 HB2 GLN A 115 -4.742 -0.284 9.578 1.00 4.14 H new ATOM 0 HB3 GLN A 115 -4.598 -0.909 11.209 1.00 4.14 H new ATOM 0 HG2 GLN A 115 -2.790 0.537 11.734 1.00 14.21 H new ATOM 0 HG3 GLN A 115 -2.474 0.902 10.049 1.00 14.21 H new ATOM 0 HE21 GLN A 115 -2.619 3.119 10.258 1.00 3.53 H new ATOM 0 HE22 GLN A 115 -4.148 3.949 10.563 1.00 3.53 H new ATOM 1760 N LYS A 116 -4.565 -3.146 8.553 1.00 73.22 N ATOM 1761 CA LYS A 116 -5.313 -4.366 8.232 1.00 41.52 C ATOM 1762 C LYS A 116 -4.392 -5.555 7.959 1.00 2.31 C ATOM 1763 O LYS A 116 -4.804 -6.705 8.098 1.00 71.33 O ATOM 1764 CB LYS A 116 -6.229 -4.131 7.034 1.00 44.21 C ATOM 1765 CG LYS A 116 -7.460 -3.306 7.365 1.00 62.42 C ATOM 1766 CD LYS A 116 -8.304 -3.027 6.127 1.00 75.21 C ATOM 1767 CE LYS A 116 -8.915 -4.296 5.547 1.00 54.44 C ATOM 1768 NZ LYS A 116 -9.725 -4.014 4.335 1.00 35.12 N ATOM 0 H LYS A 116 -4.583 -2.447 7.811 1.00 73.22 H new ATOM 0 HA LYS A 116 -5.915 -4.610 9.107 1.00 41.52 H new ATOM 0 HB2 LYS A 116 -5.665 -3.628 6.249 1.00 44.21 H new ATOM 0 HB3 LYS A 116 -6.544 -5.094 6.633 1.00 44.21 H new ATOM 0 HG2 LYS A 116 -8.063 -3.833 8.105 1.00 62.42 H new ATOM 0 HG3 LYS A 116 -7.154 -2.362 7.817 1.00 62.42 H new ATOM 0 HD2 LYS A 116 -9.100 -2.327 6.382 1.00 75.21 H new ATOM 0 HD3 LYS A 116 -7.686 -2.545 5.370 1.00 75.21 H new ATOM 0 HE2 LYS A 116 -8.121 -5.001 5.298 1.00 54.44 H new ATOM 0 HE3 LYS A 116 -9.542 -4.775 6.300 1.00 54.44 H new ATOM 0 HZ1 LYS A 116 -10.124 -4.902 3.970 1.00 35.12 H new ATOM 0 HZ2 LYS A 116 -10.498 -3.361 4.578 1.00 35.12 H new ATOM 0 HZ3 LYS A 116 -9.122 -3.580 3.607 1.00 35.12 H new ATOM 1782 N ALA A 117 -3.162 -5.281 7.519 1.00 22.50 N ATOM 1783 CA ALA A 117 -2.168 -6.328 7.301 1.00 70.23 C ATOM 1784 C ALA A 117 -1.771 -6.995 8.615 1.00 11.33 C ATOM 1785 O ALA A 117 -1.523 -8.188 8.658 1.00 71.22 O ATOM 1786 CB ALA A 117 -0.941 -5.764 6.603 1.00 3.01 C ATOM 0 H ALA A 117 -2.832 -4.339 7.307 1.00 22.50 H new ATOM 0 HA ALA A 117 -2.618 -7.086 6.660 1.00 70.23 H new ATOM 0 HB1 ALA A 117 -0.212 -6.560 6.449 1.00 3.01 H new ATOM 0 HB2 ALA A 117 -1.231 -5.346 5.639 1.00 3.01 H new ATOM 0 HB3 ALA A 117 -0.499 -4.981 7.220 1.00 3.01 H new ATOM 1792 N LEU A 118 -1.774 -6.222 9.690 1.00 13.54 N ATOM 1793 CA LEU A 118 -1.296 -6.688 10.985 1.00 45.11 C ATOM 1794 C LEU A 118 -2.450 -6.850 11.982 1.00 73.32 C ATOM 1795 O LEU A 118 -2.232 -6.838 13.194 1.00 74.53 O ATOM 1796 CB LEU A 118 -0.295 -5.666 11.499 1.00 42.00 C ATOM 1797 CG LEU A 118 0.763 -5.279 10.481 1.00 61.30 C ATOM 1798 CD1 LEU A 118 1.164 -3.857 10.685 1.00 43.52 C ATOM 1799 CD2 LEU A 118 1.963 -6.172 10.579 1.00 4.50 C ATOM 0 H LEU A 118 -2.106 -5.258 9.691 1.00 13.54 H new ATOM 0 HA LEU A 118 -0.830 -7.667 10.875 1.00 45.11 H new ATOM 0 HB2 LEU A 118 -0.832 -4.770 11.810 1.00 42.00 H new ATOM 0 HB3 LEU A 118 0.196 -6.067 12.386 1.00 42.00 H new ATOM 0 HG LEU A 118 0.337 -5.396 9.484 1.00 61.30 H new ATOM 0 HD11 LEU A 118 1.923 -3.584 9.952 1.00 43.52 H new ATOM 0 HD12 LEU A 118 0.294 -3.212 10.563 1.00 43.52 H new ATOM 0 HD13 LEU A 118 1.569 -3.734 11.690 1.00 43.52 H new ATOM 0 HD21 LEU A 118 2.703 -5.870 9.838 1.00 4.50 H new ATOM 0 HD22 LEU A 118 2.395 -6.092 11.576 1.00 4.50 H new ATOM 0 HD23 LEU A 118 1.665 -7.204 10.394 1.00 4.50 H new ATOM 1811 N LYS A 119 -3.672 -7.015 11.452 1.00 23.12 N ATOM 1812 CA LYS A 119 -4.902 -7.091 12.266 1.00 22.10 C ATOM 1813 C LYS A 119 -4.923 -8.294 13.232 1.00 32.33 C ATOM 1814 O LYS A 119 -5.306 -8.150 14.390 1.00 4.15 O ATOM 1815 CB LYS A 119 -6.154 -7.076 11.359 1.00 73.32 C ATOM 1816 CG LYS A 119 -6.295 -8.267 10.398 1.00 25.43 C ATOM 1817 CD LYS A 119 -7.550 -8.167 9.534 1.00 74.15 C ATOM 1818 CE LYS A 119 -8.834 -8.311 10.348 1.00 32.44 C ATOM 1819 NZ LYS A 119 -8.998 -9.681 10.899 1.00 43.13 N ATOM 0 H LYS A 119 -3.838 -7.100 10.449 1.00 23.12 H new ATOM 0 HA LYS A 119 -4.914 -6.203 12.898 1.00 22.10 H new ATOM 0 HB2 LYS A 119 -7.039 -7.038 11.994 1.00 73.32 H new ATOM 0 HB3 LYS A 119 -6.143 -6.158 10.771 1.00 73.32 H new ATOM 0 HG2 LYS A 119 -5.417 -8.318 9.755 1.00 25.43 H new ATOM 0 HG3 LYS A 119 -6.324 -9.193 10.972 1.00 25.43 H new ATOM 0 HD2 LYS A 119 -7.556 -7.207 9.018 1.00 74.15 H new ATOM 0 HD3 LYS A 119 -7.521 -8.941 8.767 1.00 74.15 H new ATOM 0 HE2 LYS A 119 -8.826 -7.591 11.166 1.00 32.44 H new ATOM 0 HE3 LYS A 119 -9.690 -8.069 9.718 1.00 32.44 H new ATOM 0 HZ1 LYS A 119 -9.227 -9.623 11.912 1.00 43.13 H new ATOM 0 HZ2 LYS A 119 -9.769 -10.167 10.398 1.00 43.13 H new ATOM 0 HZ3 LYS A 119 -8.114 -10.214 10.774 1.00 43.13 H new ATOM 1833 N ASP A 120 -4.499 -9.461 12.761 1.00 52.31 N ATOM 1834 CA ASP A 120 -4.377 -10.644 13.622 1.00 40.24 C ATOM 1835 C ASP A 120 -2.923 -10.873 14.010 1.00 5.31 C ATOM 1836 O ASP A 120 -2.629 -11.691 14.887 1.00 61.50 O ATOM 1837 CB ASP A 120 -4.893 -11.896 12.906 1.00 52.02 C ATOM 1838 CG ASP A 120 -6.359 -11.822 12.565 1.00 53.02 C ATOM 1839 OD1 ASP A 120 -7.194 -12.194 13.411 1.00 42.11 O ATOM 1840 OD2 ASP A 120 -6.682 -11.383 11.449 1.00 63.31 O ATOM 0 H ASP A 120 -4.233 -9.619 11.789 1.00 52.31 H new ATOM 0 HA ASP A 120 -4.975 -10.463 14.515 1.00 40.24 H new ATOM 0 HB2 ASP A 120 -4.321 -12.045 11.991 1.00 52.02 H new ATOM 0 HB3 ASP A 120 -4.717 -12.767 13.538 1.00 52.02 H new ATOM 1845 N ALA A 121 -2.035 -10.122 13.336 1.00 53.50 N ATOM 1846 CA ALA A 121 -0.579 -10.321 13.345 1.00 50.12 C ATOM 1847 C ALA A 121 -0.184 -11.765 12.959 1.00 25.22 C ATOM 1848 O ALA A 121 0.829 -12.302 13.421 1.00 55.45 O ATOM 1849 CB ALA A 121 0.050 -9.865 14.656 1.00 13.02 C ATOM 0 H ALA A 121 -2.322 -9.336 12.753 1.00 53.50 H new ATOM 0 HA ALA A 121 -0.164 -9.679 12.568 1.00 50.12 H new ATOM 0 HB1 ALA A 121 1.127 -10.030 14.620 1.00 13.02 H new ATOM 0 HB2 ALA A 121 -0.150 -8.804 14.806 1.00 13.02 H new ATOM 0 HB3 ALA A 121 -0.377 -10.434 15.482 1.00 13.02 H new ATOM 1855 N GLU A 122 -0.969 -12.340 12.037 1.00 50.25 N ATOM 1856 CA GLU A 122 -0.692 -13.637 11.443 1.00 61.35 C ATOM 1857 C GLU A 122 -1.435 -13.783 10.101 1.00 21.32 C ATOM 1858 O GLU A 122 -2.613 -14.150 10.034 1.00 54.45 O ATOM 1859 CB GLU A 122 -1.031 -14.775 12.431 1.00 74.51 C ATOM 1860 CG GLU A 122 -2.448 -14.747 13.003 1.00 3.25 C ATOM 1861 CD GLU A 122 -2.707 -15.848 14.000 1.00 12.33 C ATOM 1862 OE1 GLU A 122 -2.485 -17.030 13.668 1.00 53.42 O ATOM 1863 OE2 GLU A 122 -3.154 -15.537 15.117 1.00 3.13 O ATOM 0 H GLU A 122 -1.822 -11.905 11.685 1.00 50.25 H new ATOM 0 HA GLU A 122 0.375 -13.710 11.231 1.00 61.35 H new ATOM 0 HB2 GLU A 122 -0.880 -15.729 11.925 1.00 74.51 H new ATOM 0 HB3 GLU A 122 -0.323 -14.738 13.259 1.00 74.51 H new ATOM 0 HG2 GLU A 122 -2.621 -13.783 13.482 1.00 3.25 H new ATOM 0 HG3 GLU A 122 -3.165 -14.829 12.186 1.00 3.25 H new ATOM 1870 N LYS A 123 -0.759 -13.413 9.019 1.00 32.53 N ATOM 1871 CA LYS A 123 -1.344 -13.544 7.682 1.00 23.13 C ATOM 1872 C LYS A 123 -0.568 -14.563 6.859 1.00 41.14 C ATOM 1873 O LYS A 123 0.633 -14.760 7.072 1.00 52.22 O ATOM 1874 CB LYS A 123 -1.382 -12.196 6.937 1.00 61.43 C ATOM 1875 CG LYS A 123 -2.152 -11.083 7.652 1.00 22.45 C ATOM 1876 CD LYS A 123 -3.629 -11.412 7.885 1.00 71.10 C ATOM 1877 CE LYS A 123 -4.476 -11.291 6.621 1.00 24.34 C ATOM 1878 NZ LYS A 123 -4.663 -9.873 6.190 1.00 1.41 N ATOM 0 H LYS A 123 0.184 -13.024 9.036 1.00 32.53 H new ATOM 0 HA LYS A 123 -2.371 -13.887 7.812 1.00 23.13 H new ATOM 0 HB2 LYS A 123 -0.358 -11.860 6.772 1.00 61.43 H new ATOM 0 HB3 LYS A 123 -1.828 -12.353 5.955 1.00 61.43 H new ATOM 0 HG2 LYS A 123 -1.677 -10.883 8.612 1.00 22.45 H new ATOM 0 HG3 LYS A 123 -2.081 -10.168 7.064 1.00 22.45 H new ATOM 0 HD2 LYS A 123 -3.712 -12.426 8.275 1.00 71.10 H new ATOM 0 HD3 LYS A 123 -4.028 -10.744 8.648 1.00 71.10 H new ATOM 0 HE2 LYS A 123 -4.003 -11.853 5.816 1.00 24.34 H new ATOM 0 HE3 LYS A 123 -5.451 -11.745 6.796 1.00 24.34 H new ATOM 0 HZ1 LYS A 123 -5.585 -9.772 5.720 1.00 1.41 H new ATOM 0 HZ2 LYS A 123 -4.628 -9.250 7.022 1.00 1.41 H new ATOM 0 HZ3 LYS A 123 -3.906 -9.609 5.528 1.00 1.41 H new ATOM 1892 N LEU A 124 -1.262 -15.223 5.930 1.00 40.42 N ATOM 1893 CA LEU A 124 -0.623 -16.171 5.016 1.00 70.44 C ATOM 1894 C LEU A 124 0.130 -15.427 3.919 1.00 21.33 C ATOM 1895 O LEU A 124 -0.342 -14.405 3.400 1.00 20.51 O ATOM 1896 CB LEU A 124 -1.635 -17.143 4.381 1.00 62.14 C ATOM 1897 CG LEU A 124 -2.044 -18.360 5.235 1.00 4.14 C ATOM 1898 CD1 LEU A 124 -3.026 -17.973 6.333 1.00 64.00 C ATOM 1899 CD2 LEU A 124 -2.633 -19.449 4.351 1.00 60.31 C ATOM 0 H LEU A 124 -2.267 -15.118 5.791 1.00 40.42 H new ATOM 0 HA LEU A 124 0.077 -16.760 5.608 1.00 70.44 H new ATOM 0 HB2 LEU A 124 -2.536 -16.583 4.130 1.00 62.14 H new ATOM 0 HB3 LEU A 124 -1.216 -17.509 3.444 1.00 62.14 H new ATOM 0 HG LEU A 124 -1.146 -18.743 5.720 1.00 4.14 H new ATOM 0 HD11 LEU A 124 -3.290 -18.857 6.913 1.00 64.00 H new ATOM 0 HD12 LEU A 124 -2.566 -17.233 6.988 1.00 64.00 H new ATOM 0 HD13 LEU A 124 -3.925 -17.551 5.885 1.00 64.00 H new ATOM 0 HD21 LEU A 124 -2.918 -20.303 4.966 1.00 60.31 H new ATOM 0 HD22 LEU A 124 -3.513 -19.063 3.836 1.00 60.31 H new ATOM 0 HD23 LEU A 124 -1.891 -19.762 3.617 1.00 60.31 H new ATOM 1911 N GLU A 125 1.311 -15.937 3.591 1.00 60.31 N ATOM 1912 CA GLU A 125 2.188 -15.293 2.628 1.00 23.15 C ATOM 1913 C GLU A 125 2.936 -16.303 1.757 1.00 74.03 C ATOM 1914 O GLU A 125 2.863 -17.513 1.979 1.00 31.13 O ATOM 1915 CB GLU A 125 3.173 -14.348 3.349 1.00 70.14 C ATOM 1916 CG GLU A 125 3.845 -14.905 4.617 1.00 32.34 C ATOM 1917 CD GLU A 125 4.891 -15.965 4.361 1.00 1.15 C ATOM 1918 OE1 GLU A 125 5.809 -15.722 3.562 1.00 72.42 O ATOM 1919 OE2 GLU A 125 4.785 -17.054 4.947 1.00 61.14 O ATOM 0 H GLU A 125 1.683 -16.802 3.983 1.00 60.31 H new ATOM 0 HA GLU A 125 1.561 -14.705 1.958 1.00 23.15 H new ATOM 0 HB2 GLU A 125 3.954 -14.065 2.644 1.00 70.14 H new ATOM 0 HB3 GLU A 125 2.639 -13.436 3.617 1.00 70.14 H new ATOM 0 HG2 GLU A 125 4.308 -14.080 5.159 1.00 32.34 H new ATOM 0 HG3 GLU A 125 3.076 -15.322 5.267 1.00 32.34 H new ATOM 1926 N HIS A 126 3.657 -15.776 0.774 1.00 43.40 N ATOM 1927 CA HIS A 126 4.531 -16.569 -0.091 1.00 33.14 C ATOM 1928 C HIS A 126 5.814 -15.781 -0.375 1.00 63.22 C ATOM 1929 O HIS A 126 6.363 -15.808 -1.477 1.00 63.54 O ATOM 1930 CB HIS A 126 3.801 -16.999 -1.393 1.00 13.34 C ATOM 1931 CG HIS A 126 3.058 -15.909 -2.135 1.00 33.03 C ATOM 1932 ND1 HIS A 126 1.724 -15.632 -1.923 1.00 21.34 N ATOM 1933 CD2 HIS A 126 3.463 -15.054 -3.098 1.00 42.42 C ATOM 1934 CE1 HIS A 126 1.349 -14.651 -2.723 1.00 21.24 C ATOM 1935 NE2 HIS A 126 2.384 -14.279 -3.446 1.00 63.25 N ATOM 0 H HIS A 126 3.654 -14.781 0.551 1.00 43.40 H new ATOM 0 HA HIS A 126 4.803 -17.492 0.421 1.00 33.14 H new ATOM 0 HB2 HIS A 126 4.536 -17.434 -2.070 1.00 13.34 H new ATOM 0 HB3 HIS A 126 3.092 -17.788 -1.143 1.00 13.34 H new ATOM 0 HD2 HIS A 126 4.456 -14.991 -3.519 1.00 42.42 H new ATOM 0 HE1 HIS A 126 0.358 -14.225 -2.775 1.00 21.24 H new ATOM 0 HE2 HIS A 126 2.385 -13.539 -4.148 1.00 63.25 H new ATOM 1944 N HIS A 127 6.299 -15.107 0.661 1.00 31.40 N ATOM 1945 CA HIS A 127 7.433 -14.205 0.550 1.00 45.14 C ATOM 1946 C HIS A 127 8.348 -14.368 1.769 1.00 71.11 C ATOM 1947 O HIS A 127 8.015 -13.944 2.867 1.00 21.13 O ATOM 1948 CB HIS A 127 6.895 -12.763 0.416 1.00 72.10 C ATOM 1949 CG HIS A 127 7.933 -11.682 0.244 1.00 23.32 C ATOM 1950 ND1 HIS A 127 8.393 -11.262 -0.983 1.00 34.32 N ATOM 1951 CD2 HIS A 127 8.541 -10.895 1.161 1.00 45.12 C ATOM 1952 CE1 HIS A 127 9.249 -10.269 -0.807 1.00 70.23 C ATOM 1953 NE2 HIS A 127 9.351 -10.025 0.485 1.00 55.25 N ATOM 0 H HIS A 127 5.914 -15.173 1.603 1.00 31.40 H new ATOM 0 HA HIS A 127 8.030 -14.437 -0.332 1.00 45.14 H new ATOM 0 HB2 HIS A 127 6.217 -12.727 -0.437 1.00 72.10 H new ATOM 0 HB3 HIS A 127 6.304 -12.533 1.302 1.00 72.10 H new ATOM 0 HD2 HIS A 127 8.410 -10.945 2.232 1.00 45.12 H new ATOM 0 HE1 HIS A 127 9.776 -9.745 -1.591 1.00 70.23 H new ATOM 0 HE2 HIS A 127 9.937 -9.306 0.910 1.00 55.25 H new ATOM 1962 N HIS A 128 9.488 -15.007 1.571 1.00 71.12 N ATOM 1963 CA HIS A 128 10.504 -15.095 2.617 1.00 43.42 C ATOM 1964 C HIS A 128 11.816 -14.479 2.113 1.00 72.41 C ATOM 1965 O HIS A 128 12.767 -14.294 2.873 1.00 71.21 O ATOM 1966 CB HIS A 128 10.708 -16.558 3.059 1.00 1.22 C ATOM 1967 CG HIS A 128 11.471 -16.718 4.350 1.00 42.24 C ATOM 1968 ND1 HIS A 128 12.732 -17.267 4.422 1.00 32.01 N ATOM 1969 CD2 HIS A 128 11.145 -16.378 5.622 1.00 25.04 C ATOM 1970 CE1 HIS A 128 13.149 -17.260 5.672 1.00 21.13 C ATOM 1971 NE2 HIS A 128 12.205 -16.726 6.418 1.00 34.34 N ATOM 0 H HIS A 128 9.737 -15.473 0.699 1.00 71.12 H new ATOM 0 HA HIS A 128 10.168 -14.534 3.489 1.00 43.42 H new ATOM 0 HB2 HIS A 128 9.732 -17.032 3.167 1.00 1.22 H new ATOM 0 HB3 HIS A 128 11.237 -17.093 2.270 1.00 1.22 H new ATOM 0 HD2 HIS A 128 10.223 -15.919 5.947 1.00 25.04 H new ATOM 0 HE1 HIS A 128 14.101 -17.629 6.024 1.00 21.13 H new ATOM 0 HE2 HIS A 128 12.255 -16.592 7.428 1.00 34.34 H new ATOM 1980 N HIS A 129 11.845 -14.165 0.820 1.00 20.04 N ATOM 1981 CA HIS A 129 12.984 -13.505 0.208 1.00 31.54 C ATOM 1982 C HIS A 129 13.002 -12.033 0.604 1.00 25.23 C ATOM 1983 O HIS A 129 12.161 -11.251 0.171 1.00 33.21 O ATOM 1984 CB HIS A 129 12.931 -13.662 -1.319 1.00 31.20 C ATOM 1985 CG HIS A 129 14.125 -13.116 -2.046 1.00 65.45 C ATOM 1986 ND1 HIS A 129 14.044 -12.068 -2.931 1.00 23.13 N ATOM 1987 CD2 HIS A 129 15.425 -13.482 -2.019 1.00 43.00 C ATOM 1988 CE1 HIS A 129 15.240 -11.806 -3.412 1.00 43.12 C ATOM 1989 NE2 HIS A 129 16.100 -12.649 -2.875 1.00 4.53 N ATOM 0 H HIS A 129 11.081 -14.362 0.174 1.00 20.04 H new ATOM 0 HA HIS A 129 13.903 -13.970 0.564 1.00 31.54 H new ATOM 0 HB2 HIS A 129 12.829 -14.720 -1.559 1.00 31.20 H new ATOM 0 HB3 HIS A 129 12.036 -13.163 -1.691 1.00 31.20 H new ATOM 0 HD2 HIS A 129 15.853 -14.282 -1.433 1.00 43.00 H new ATOM 0 HE1 HIS A 129 15.477 -11.031 -4.126 1.00 43.12 H new ATOM 0 HE2 HIS A 129 17.102 -12.677 -3.065 1.00 4.53 H new ATOM 1998 N HIS A 130 13.976 -11.689 1.427 1.00 31.10 N ATOM 1999 CA HIS A 130 14.163 -10.335 1.901 1.00 2.11 C ATOM 2000 C HIS A 130 14.706 -9.449 0.776 1.00 40.31 C ATOM 2001 O HIS A 130 15.680 -9.803 0.104 1.00 12.30 O ATOM 2002 CB HIS A 130 15.104 -10.374 3.125 1.00 11.51 C ATOM 2003 CG HIS A 130 15.569 -9.045 3.646 1.00 54.31 C ATOM 2004 ND1 HIS A 130 14.721 -8.037 4.029 1.00 30.33 N ATOM 2005 CD2 HIS A 130 16.819 -8.565 3.823 1.00 40.55 C ATOM 2006 CE1 HIS A 130 15.419 -6.993 4.414 1.00 62.45 C ATOM 2007 NE2 HIS A 130 16.693 -7.288 4.298 1.00 23.13 N ATOM 0 H HIS A 130 14.664 -12.350 1.787 1.00 31.10 H new ATOM 0 HA HIS A 130 13.212 -9.899 2.208 1.00 2.11 H new ATOM 0 HB2 HIS A 130 14.594 -10.899 3.933 1.00 11.51 H new ATOM 0 HB3 HIS A 130 15.981 -10.966 2.864 1.00 11.51 H new ATOM 0 HD1 HIS A 130 13.702 -8.090 4.017 1.00 30.33 H new ATOM 0 HD2 HIS A 130 17.743 -9.089 3.627 1.00 40.55 H new ATOM 0 HE1 HIS A 130 15.015 -6.055 4.765 1.00 62.45 H new ATOM 2016 N HIS A 131 14.045 -8.318 0.570 1.00 54.43 N ATOM 2017 CA HIS A 131 14.483 -7.345 -0.416 1.00 2.00 C ATOM 2018 C HIS A 131 14.413 -5.942 0.176 1.00 30.01 C ATOM 2019 O HIS A 131 13.647 -5.689 1.103 1.00 70.44 O ATOM 2020 CB HIS A 131 13.627 -7.436 -1.692 1.00 43.42 C ATOM 2021 CG HIS A 131 14.267 -6.793 -2.891 1.00 64.41 C ATOM 2022 ND1 HIS A 131 13.892 -5.564 -3.386 1.00 34.20 N ATOM 2023 CD2 HIS A 131 15.267 -7.224 -3.690 1.00 44.32 C ATOM 2024 CE1 HIS A 131 14.636 -5.266 -4.433 1.00 11.32 C ATOM 2025 NE2 HIS A 131 15.478 -6.257 -4.637 1.00 55.22 N ATOM 0 H HIS A 131 13.200 -8.053 1.076 1.00 54.43 H new ATOM 0 HA HIS A 131 15.516 -7.564 -0.688 1.00 2.00 H new ATOM 0 HB2 HIS A 131 13.430 -8.485 -1.914 1.00 43.42 H new ATOM 0 HB3 HIS A 131 12.663 -6.963 -1.507 1.00 43.42 H new ATOM 0 HD2 HIS A 131 15.801 -8.158 -3.599 1.00 44.32 H new ATOM 0 HE1 HIS A 131 14.566 -4.364 -5.022 1.00 11.32 H new ATOM 0 HE2 HIS A 131 16.175 -6.298 -5.380 1.00 55.22 H new TER 2034 HIS A 131