USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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 37 TYR OH : rot -170:sc= 0.352 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.0365 K(o=0.32,f=-2.5) USER MOD Set 2.1: A 11 TYR OH : rot 100:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.0983! (180deg=-1.06!) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.77 F(o=-5.3!,f=-0.77) USER MOD Single : A 6 MET CE :methyl -158:sc= 0 (180deg=-0.862) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= -1.32! (180deg=-1.39!) USER MOD Single : A 23 HIS : no HE2:sc= 0.436 K(o=0.44,f=-1.4!) USER MOD Single : A 24 SER OG : rot -27:sc= 0.888 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc=-0.00607 (180deg=-0.121) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 30 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.071) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.1 USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= -2.08! (180deg=-4.85!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0.0313 (180deg=-0.153) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.2) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.86 USER MOD Single : A 70 SER OG : rot -19:sc= 0.984 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -1.12! (180deg=-2.03!) USER MOD Single : A 76 SER OG : rot -23:sc= 0.264 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -163:sc= 0.641 (180deg=0.478) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 170:sc= 0.111 (180deg=0.0537) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0874) USER MOD Single : A 100 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.0033) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 102 HIS : no HE2:sc= 0.952 K(o=0.95,f=-3.1!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.471 -8.475 -1.110 1.00 2.23 N ATOM 2 CA MET A 1 16.228 -8.223 -2.367 1.00 2.44 C ATOM 3 C MET A 1 16.572 -9.531 -3.116 1.00 4.32 C ATOM 4 O MET A 1 17.743 -9.896 -3.255 1.00 35.43 O ATOM 5 CB MET A 1 17.505 -7.413 -2.063 1.00 22.24 C ATOM 6 CG MET A 1 18.427 -8.053 -1.029 1.00 22.03 C ATOM 7 SD MET A 1 17.605 -8.348 0.550 1.00 0.34 S ATOM 8 CE MET A 1 18.922 -9.124 1.489 1.00 53.20 C ATOM 0 H1 MET A 1 14.821 -7.683 -0.932 1.00 2.23 H new ATOM 0 H2 MET A 1 14.926 -9.356 -1.203 1.00 2.23 H new ATOM 0 H3 MET A 1 16.136 -8.562 -0.315 1.00 2.23 H new ATOM 0 HA MET A 1 15.585 -7.641 -3.028 1.00 2.44 H new ATOM 0 HB2 MET A 1 18.061 -7.273 -2.990 1.00 22.24 H new ATOM 0 HB3 MET A 1 17.217 -6.422 -1.711 1.00 22.24 H new ATOM 0 HG2 MET A 1 18.804 -8.998 -1.420 1.00 22.03 H new ATOM 0 HG3 MET A 1 19.291 -7.407 -0.869 1.00 22.03 H new ATOM 0 HE1 MET A 1 18.563 -9.365 2.489 1.00 53.20 H new ATOM 0 HE2 MET A 1 19.237 -10.039 0.987 1.00 53.20 H new ATOM 0 HE3 MET A 1 19.768 -8.441 1.562 1.00 53.20 H new ATOM 20 N ASP A 2 15.550 -10.244 -3.599 1.00 45.52 N ATOM 21 CA ASP A 2 15.770 -11.438 -4.427 1.00 55.53 C ATOM 22 C ASP A 2 16.237 -11.040 -5.842 1.00 1.41 C ATOM 23 O ASP A 2 15.434 -10.936 -6.772 1.00 71.44 O ATOM 24 CB ASP A 2 14.491 -12.279 -4.508 1.00 72.51 C ATOM 25 CG ASP A 2 14.077 -12.837 -3.159 1.00 74.45 C ATOM 26 OD1 ASP A 2 13.445 -12.106 -2.374 1.00 43.34 O ATOM 27 OD2 ASP A 2 14.387 -14.013 -2.872 1.00 64.22 O ATOM 0 H ASP A 2 14.569 -10.019 -3.434 1.00 45.52 H new ATOM 0 HA ASP A 2 16.552 -12.037 -3.960 1.00 55.53 H new ATOM 0 HB2 ASP A 2 13.682 -11.667 -4.908 1.00 72.51 H new ATOM 0 HB3 ASP A 2 14.644 -13.102 -5.206 1.00 72.51 H new ATOM 32 N LEU A 3 17.539 -10.798 -5.989 1.00 32.10 N ATOM 33 CA LEU A 3 18.102 -10.292 -7.253 1.00 52.42 C ATOM 34 C LEU A 3 17.953 -11.284 -8.422 1.00 24.32 C ATOM 35 O LEU A 3 17.982 -10.882 -9.584 1.00 40.11 O ATOM 36 CB LEU A 3 19.583 -9.885 -7.082 1.00 23.35 C ATOM 37 CG LEU A 3 20.605 -11.022 -6.859 1.00 44.15 C ATOM 38 CD1 LEU A 3 22.034 -10.486 -6.957 1.00 32.43 C ATOM 39 CD2 LEU A 3 20.394 -11.704 -5.510 1.00 25.15 C ATOM 0 H LEU A 3 18.229 -10.942 -5.252 1.00 32.10 H new ATOM 0 HA LEU A 3 17.517 -9.409 -7.509 1.00 52.42 H new ATOM 0 HB2 LEU A 3 19.885 -9.328 -7.969 1.00 23.35 H new ATOM 0 HB3 LEU A 3 19.650 -9.200 -6.237 1.00 23.35 H new ATOM 0 HG LEU A 3 20.449 -11.764 -7.642 1.00 44.15 H new ATOM 0 HD11 LEU A 3 22.740 -11.301 -6.797 1.00 32.43 H new ATOM 0 HD12 LEU A 3 22.194 -10.056 -7.946 1.00 32.43 H new ATOM 0 HD13 LEU A 3 22.188 -9.719 -6.198 1.00 32.43 H new ATOM 0 HD21 LEU A 3 21.129 -12.499 -5.385 1.00 25.15 H new ATOM 0 HD22 LEU A 3 20.511 -10.973 -4.710 1.00 25.15 H new ATOM 0 HD23 LEU A 3 19.391 -12.128 -5.470 1.00 25.15 H new ATOM 51 N ASN A 4 17.796 -12.574 -8.123 1.00 31.25 N ATOM 52 CA ASN A 4 17.583 -13.585 -9.175 1.00 31.15 C ATOM 53 C ASN A 4 16.098 -13.682 -9.579 1.00 51.42 C ATOM 54 O ASN A 4 15.759 -14.315 -10.578 1.00 41.11 O ATOM 55 CB ASN A 4 18.094 -14.962 -8.721 1.00 22.43 C ATOM 56 CG ASN A 4 19.611 -15.048 -8.623 1.00 41.53 C ATOM 57 OD1 ASN A 4 20.267 -13.939 -8.356 1.00 1.22 O flip ATOM 58 ND2 ASN A 4 20.194 -16.114 -8.795 1.00 72.21 N flip ATOM 0 H ASN A 4 17.811 -12.947 -7.174 1.00 31.25 H new ATOM 0 HA ASN A 4 18.152 -13.266 -10.048 1.00 31.15 H new ATOM 0 HB2 ASN A 4 17.662 -15.198 -7.749 1.00 22.43 H new ATOM 0 HB3 ASN A 4 17.740 -15.720 -9.420 1.00 22.43 H new ATOM 0 HD21 ASN A 4 19.661 -16.959 -9.001 1.00 72.21 H new ATOM 0 HD22 ASN A 4 21.211 -16.155 -8.732 1.00 72.21 H new ATOM 65 N ARG A 5 15.218 -13.054 -8.798 1.00 25.32 N ATOM 66 CA ARG A 5 13.775 -13.066 -9.085 1.00 25.35 C ATOM 67 C ARG A 5 13.289 -11.705 -9.603 1.00 11.33 C ATOM 68 O ARG A 5 12.735 -11.612 -10.700 1.00 51.55 O ATOM 69 CB ARG A 5 12.986 -13.462 -7.828 1.00 44.12 C ATOM 70 CG ARG A 5 13.291 -14.872 -7.333 1.00 13.24 C ATOM 71 CD ARG A 5 12.972 -15.927 -8.389 1.00 2.30 C ATOM 72 NE ARG A 5 13.355 -17.269 -7.962 1.00 44.22 N ATOM 73 CZ ARG A 5 13.165 -18.345 -8.672 1.00 0.52 C ATOM 74 NH1 ARG A 5 12.589 -18.282 -9.830 1.00 3.40 N ATOM 75 NH2 ARG A 5 13.549 -19.490 -8.214 1.00 23.32 N ATOM 0 H ARG A 5 15.475 -12.530 -7.961 1.00 25.32 H new ATOM 0 HA ARG A 5 13.601 -13.804 -9.868 1.00 25.35 H new ATOM 0 HB2 ARG A 5 13.207 -12.751 -7.032 1.00 44.12 H new ATOM 0 HB3 ARG A 5 11.920 -13.383 -8.039 1.00 44.12 H new ATOM 0 HG2 ARG A 5 14.343 -14.940 -7.058 1.00 13.24 H new ATOM 0 HG3 ARG A 5 12.712 -15.074 -6.432 1.00 13.24 H new ATOM 0 HD2 ARG A 5 11.904 -15.908 -8.608 1.00 2.30 H new ATOM 0 HD3 ARG A 5 13.491 -15.680 -9.315 1.00 2.30 H new ATOM 0 HE ARG A 5 13.800 -17.371 -7.050 1.00 44.22 H new ATOM 0 HH11 ARG A 5 12.278 -17.382 -10.197 1.00 3.40 H new ATOM 0 HH12 ARG A 5 12.446 -19.132 -10.376 1.00 3.40 H new ATOM 0 HH21 ARG A 5 13.999 -19.549 -7.300 1.00 23.32 H new ATOM 0 HH22 ARG A 5 13.403 -20.335 -8.766 1.00 23.32 H new ATOM 89 N MET A 6 13.498 -10.655 -8.802 1.00 31.00 N ATOM 90 CA MET A 6 13.090 -9.284 -9.157 1.00 62.31 C ATOM 91 C MET A 6 11.559 -9.141 -9.288 1.00 10.02 C ATOM 92 O MET A 6 10.811 -10.114 -9.176 1.00 25.35 O ATOM 93 CB MET A 6 13.775 -8.828 -10.456 1.00 11.14 C ATOM 94 CG MET A 6 15.296 -8.814 -10.381 1.00 24.04 C ATOM 95 SD MET A 6 16.056 -8.215 -11.906 1.00 23.42 S ATOM 96 CE MET A 6 17.797 -8.341 -11.497 1.00 73.34 C ATOM 0 H MET A 6 13.953 -10.727 -7.892 1.00 31.00 H new ATOM 0 HA MET A 6 13.411 -8.641 -8.338 1.00 62.31 H new ATOM 0 HB2 MET A 6 13.467 -9.487 -11.268 1.00 11.14 H new ATOM 0 HB3 MET A 6 13.424 -7.827 -10.708 1.00 11.14 H new ATOM 0 HG2 MET A 6 15.610 -8.183 -9.550 1.00 24.04 H new ATOM 0 HG3 MET A 6 15.656 -9.821 -10.170 1.00 24.04 H new ATOM 0 HE1 MET A 6 18.371 -7.672 -12.138 1.00 73.34 H new ATOM 0 HE2 MET A 6 17.947 -8.061 -10.454 1.00 73.34 H new ATOM 0 HE3 MET A 6 18.133 -9.367 -11.649 1.00 73.34 H new ATOM 106 N GLY A 7 11.102 -7.910 -9.514 1.00 34.04 N ATOM 107 CA GLY A 7 9.672 -7.648 -9.659 1.00 71.13 C ATOM 108 C GLY A 7 9.262 -6.286 -9.108 1.00 31.31 C ATOM 109 O GLY A 7 9.401 -6.023 -7.912 1.00 55.52 O ATOM 0 H GLY A 7 11.696 -7.085 -9.600 1.00 34.04 H new ATOM 0 HA2 GLY A 7 9.402 -7.705 -10.714 1.00 71.13 H new ATOM 0 HA3 GLY A 7 9.110 -8.427 -9.144 1.00 71.13 H new ATOM 113 N LYS A 8 8.770 -5.408 -9.979 1.00 2.04 N ATOM 114 CA LYS A 8 8.331 -4.068 -9.574 1.00 41.24 C ATOM 115 C LYS A 8 6.793 -3.962 -9.586 1.00 0.12 C ATOM 116 O LYS A 8 6.149 -4.236 -10.600 1.00 3.11 O ATOM 117 CB LYS A 8 8.956 -3.021 -10.508 1.00 73.12 C ATOM 118 CG LYS A 8 10.486 -3.040 -10.512 1.00 34.33 C ATOM 119 CD LYS A 8 11.069 -2.151 -11.610 1.00 64.32 C ATOM 120 CE LYS A 8 12.595 -2.144 -11.580 1.00 51.25 C ATOM 121 NZ LYS A 8 13.175 -1.288 -12.648 1.00 34.54 N ATOM 0 H LYS A 8 8.664 -5.599 -10.975 1.00 2.04 H new ATOM 0 HA LYS A 8 8.665 -3.881 -8.553 1.00 41.24 H new ATOM 0 HB2 LYS A 8 8.596 -3.191 -11.523 1.00 73.12 H new ATOM 0 HB3 LYS A 8 8.614 -2.030 -10.210 1.00 73.12 H new ATOM 0 HG2 LYS A 8 10.855 -2.706 -9.542 1.00 34.33 H new ATOM 0 HG3 LYS A 8 10.835 -4.063 -10.651 1.00 34.33 H new ATOM 0 HD2 LYS A 8 10.726 -2.502 -12.583 1.00 64.32 H new ATOM 0 HD3 LYS A 8 10.698 -1.133 -11.489 1.00 64.32 H new ATOM 0 HE2 LYS A 8 12.936 -1.789 -10.607 1.00 51.25 H new ATOM 0 HE3 LYS A 8 12.963 -3.164 -11.694 1.00 51.25 H new ATOM 0 HZ1 LYS A 8 14.213 -1.314 -12.588 1.00 34.54 H new ATOM 0 HZ2 LYS A 8 12.873 -1.641 -13.578 1.00 34.54 H new ATOM 0 HZ3 LYS A 8 12.846 -0.309 -12.525 1.00 34.54 H new ATOM 135 N ASP A 9 6.209 -3.571 -8.452 1.00 62.31 N ATOM 136 CA ASP A 9 4.745 -3.493 -8.311 1.00 53.43 C ATOM 137 C ASP A 9 4.260 -2.039 -8.161 1.00 25.54 C ATOM 138 O ASP A 9 4.972 -1.188 -7.622 1.00 63.43 O ATOM 139 CB ASP A 9 4.297 -4.297 -7.081 1.00 30.43 C ATOM 140 CG ASP A 9 4.868 -5.703 -7.064 1.00 25.45 C ATOM 141 OD1 ASP A 9 4.326 -6.581 -7.765 1.00 70.11 O ATOM 142 OD2 ASP A 9 5.859 -5.936 -6.337 1.00 13.33 O ATOM 0 H ASP A 9 6.724 -3.302 -7.614 1.00 62.31 H new ATOM 0 HA ASP A 9 4.307 -3.909 -9.218 1.00 53.43 H new ATOM 0 HB2 ASP A 9 4.605 -3.773 -6.177 1.00 30.43 H new ATOM 0 HB3 ASP A 9 3.208 -4.351 -7.063 1.00 30.43 H new ATOM 147 N GLU A 10 3.049 -1.761 -8.643 1.00 11.51 N ATOM 148 CA GLU A 10 2.391 -0.471 -8.393 1.00 25.11 C ATOM 149 C GLU A 10 1.126 -0.663 -7.536 1.00 31.11 C ATOM 150 O GLU A 10 0.310 -1.547 -7.801 1.00 61.44 O ATOM 151 CB GLU A 10 2.031 0.250 -9.707 1.00 64.12 C ATOM 152 CG GLU A 10 1.039 -0.498 -10.599 1.00 14.52 C ATOM 153 CD GLU A 10 1.710 -1.433 -11.594 1.00 61.21 C ATOM 154 OE1 GLU A 10 2.147 -2.530 -11.196 1.00 35.12 O ATOM 155 OE2 GLU A 10 1.799 -1.069 -12.787 1.00 22.53 O ATOM 0 H GLU A 10 2.501 -2.409 -9.209 1.00 11.51 H new ATOM 0 HA GLU A 10 3.100 0.153 -7.849 1.00 25.11 H new ATOM 0 HB2 GLU A 10 1.615 1.228 -9.466 1.00 64.12 H new ATOM 0 HB3 GLU A 10 2.947 0.424 -10.272 1.00 64.12 H new ATOM 0 HG2 GLU A 10 0.359 -1.074 -9.971 1.00 14.52 H new ATOM 0 HG3 GLU A 10 0.433 0.226 -11.143 1.00 14.52 H new ATOM 162 N TYR A 11 0.970 0.161 -6.504 1.00 33.02 N ATOM 163 CA TYR A 11 -0.181 0.055 -5.600 1.00 30.11 C ATOM 164 C TYR A 11 -1.196 1.178 -5.868 1.00 53.13 C ATOM 165 O TYR A 11 -0.840 2.358 -5.875 1.00 32.25 O ATOM 166 CB TYR A 11 0.282 0.123 -4.136 1.00 5.45 C ATOM 167 CG TYR A 11 1.441 -0.806 -3.807 1.00 75.52 C ATOM 168 CD1 TYR A 11 1.222 -2.125 -3.423 1.00 20.53 C ATOM 169 CD2 TYR A 11 2.754 -0.355 -3.880 1.00 53.34 C ATOM 170 CE1 TYR A 11 2.278 -2.966 -3.122 1.00 73.10 C ATOM 171 CE2 TYR A 11 3.811 -1.189 -3.582 1.00 65.23 C ATOM 172 CZ TYR A 11 3.571 -2.493 -3.204 1.00 23.44 C ATOM 173 OH TYR A 11 4.631 -3.324 -2.908 1.00 65.24 O ATOM 0 H TYR A 11 1.622 0.909 -6.269 1.00 33.02 H new ATOM 0 HA TYR A 11 -0.663 -0.905 -5.784 1.00 30.11 H new ATOM 0 HB2 TYR A 11 0.575 1.147 -3.906 1.00 5.45 H new ATOM 0 HB3 TYR A 11 -0.560 -0.121 -3.488 1.00 5.45 H new ATOM 0 HD1 TYR A 11 0.211 -2.499 -3.359 1.00 20.53 H new ATOM 0 HD2 TYR A 11 2.949 0.665 -4.175 1.00 53.34 H new ATOM 0 HE1 TYR A 11 2.091 -3.987 -2.824 1.00 73.10 H new ATOM 0 HE2 TYR A 11 4.825 -0.822 -3.645 1.00 65.23 H new ATOM 0 HH TYR A 11 5.024 -3.662 -3.740 1.00 65.24 H new ATOM 183 N TYR A 12 -2.455 0.810 -6.098 1.00 53.24 N ATOM 184 CA TYR A 12 -3.525 1.798 -6.278 1.00 2.12 C ATOM 185 C TYR A 12 -4.139 2.179 -4.922 1.00 13.53 C ATOM 186 O TYR A 12 -4.964 1.452 -4.374 1.00 61.44 O ATOM 187 CB TYR A 12 -4.612 1.256 -7.217 1.00 74.20 C ATOM 188 CG TYR A 12 -4.123 0.989 -8.630 1.00 24.22 C ATOM 189 CD1 TYR A 12 -4.008 2.025 -9.553 1.00 52.54 C ATOM 190 CD2 TYR A 12 -3.775 -0.295 -9.040 1.00 41.54 C ATOM 191 CE1 TYR A 12 -3.563 1.789 -10.839 1.00 0.11 C ATOM 192 CE2 TYR A 12 -3.330 -0.538 -10.325 1.00 12.31 C ATOM 193 CZ TYR A 12 -3.225 0.506 -11.220 1.00 20.50 C ATOM 194 OH TYR A 12 -2.781 0.266 -12.500 1.00 73.33 O ATOM 0 H TYR A 12 -2.762 -0.161 -6.165 1.00 53.24 H new ATOM 0 HA TYR A 12 -3.091 2.690 -6.729 1.00 2.12 H new ATOM 0 HB2 TYR A 12 -5.012 0.332 -6.800 1.00 74.20 H new ATOM 0 HB3 TYR A 12 -5.435 1.970 -7.256 1.00 74.20 H new ATOM 0 HD1 TYR A 12 -4.271 3.030 -9.258 1.00 52.54 H new ATOM 0 HD2 TYR A 12 -3.854 -1.115 -8.342 1.00 41.54 H new ATOM 0 HE1 TYR A 12 -3.480 2.604 -11.543 1.00 0.11 H new ATOM 0 HE2 TYR A 12 -3.066 -1.541 -10.627 1.00 12.31 H new ATOM 0 HH TYR A 12 -2.585 -0.688 -12.605 1.00 73.33 H new ATOM 204 N VAL A 13 -3.719 3.321 -4.387 1.00 2.34 N ATOM 205 CA VAL A 13 -4.170 3.780 -3.066 1.00 3.21 C ATOM 206 C VAL A 13 -4.850 5.151 -3.145 1.00 54.41 C ATOM 207 O VAL A 13 -4.519 5.966 -4.001 1.00 11.12 O ATOM 208 CB VAL A 13 -2.983 3.862 -2.076 1.00 2.32 C ATOM 209 CG1 VAL A 13 -2.417 2.472 -1.801 1.00 52.05 C ATOM 210 CG2 VAL A 13 -1.901 4.796 -2.616 1.00 60.32 C ATOM 0 H VAL A 13 -3.063 3.953 -4.846 1.00 2.34 H new ATOM 0 HA VAL A 13 -4.895 3.049 -2.708 1.00 3.21 H new ATOM 0 HB VAL A 13 -3.345 4.271 -1.133 1.00 2.32 H new ATOM 0 HG11 VAL A 13 -1.583 2.550 -1.103 1.00 52.05 H new ATOM 0 HG12 VAL A 13 -3.194 1.842 -1.369 1.00 52.05 H new ATOM 0 HG13 VAL A 13 -2.068 2.030 -2.734 1.00 52.05 H new ATOM 0 HG21 VAL A 13 -1.074 4.842 -1.908 1.00 60.32 H new ATOM 0 HG22 VAL A 13 -1.539 4.419 -3.573 1.00 60.32 H new ATOM 0 HG23 VAL A 13 -2.317 5.794 -2.753 1.00 60.32 H new ATOM 220 N GLN A 14 -5.798 5.407 -2.248 1.00 62.40 N ATOM 221 CA GLN A 14 -6.493 6.700 -2.212 1.00 22.11 C ATOM 222 C GLN A 14 -5.878 7.632 -1.159 1.00 61.33 C ATOM 223 O GLN A 14 -5.607 7.222 -0.027 1.00 62.25 O ATOM 224 CB GLN A 14 -7.994 6.502 -1.938 1.00 41.10 C ATOM 225 CG GLN A 14 -8.306 5.759 -0.639 1.00 10.44 C ATOM 226 CD GLN A 14 -9.799 5.563 -0.400 1.00 23.34 C ATOM 227 OE1 GLN A 14 -10.610 6.502 -0.847 1.00 21.41 O flip ATOM 228 NE2 GLN A 14 -10.221 4.582 0.203 1.00 53.21 N flip ATOM 0 H GLN A 14 -6.105 4.743 -1.537 1.00 62.40 H new ATOM 0 HA GLN A 14 -6.375 7.168 -3.189 1.00 22.11 H new ATOM 0 HB2 GLN A 14 -8.478 7.478 -1.909 1.00 41.10 H new ATOM 0 HB3 GLN A 14 -8.434 5.953 -2.771 1.00 41.10 H new ATOM 0 HG2 GLN A 14 -7.817 4.785 -0.659 1.00 10.44 H new ATOM 0 HG3 GLN A 14 -7.880 6.312 0.199 1.00 10.44 H new ATOM 0 HE21 GLN A 14 -9.571 3.871 0.538 1.00 53.21 H new ATOM 0 HE22 GLN A 14 -11.222 4.477 0.370 1.00 53.21 H new ATOM 237 N ILE A 15 -5.665 8.889 -1.540 1.00 74.34 N ATOM 238 CA ILE A 15 -5.033 9.875 -0.658 1.00 64.14 C ATOM 239 C ILE A 15 -5.953 10.285 0.504 1.00 34.22 C ATOM 240 O ILE A 15 -6.842 11.124 0.349 1.00 62.12 O ATOM 241 CB ILE A 15 -4.607 11.138 -1.451 1.00 40.44 C ATOM 242 CG1 ILE A 15 -3.696 10.749 -2.627 1.00 71.01 C ATOM 243 CG2 ILE A 15 -3.908 12.146 -0.539 1.00 12.42 C ATOM 244 CD1 ILE A 15 -2.432 10.023 -2.210 1.00 4.12 C ATOM 0 H ILE A 15 -5.921 9.253 -2.458 1.00 74.34 H new ATOM 0 HA ILE A 15 -4.148 9.396 -0.239 1.00 64.14 H new ATOM 0 HB ILE A 15 -5.505 11.611 -1.849 1.00 40.44 H new ATOM 0 HG12 ILE A 15 -4.257 10.116 -3.315 1.00 71.01 H new ATOM 0 HG13 ILE A 15 -3.422 11.650 -3.175 1.00 71.01 H new ATOM 0 HG21 ILE A 15 -3.619 13.022 -1.119 1.00 12.42 H new ATOM 0 HG22 ILE A 15 -4.587 12.447 0.259 1.00 12.42 H new ATOM 0 HG23 ILE A 15 -3.019 11.689 -0.106 1.00 12.42 H new ATOM 0 HD11 ILE A 15 -1.842 9.782 -3.094 1.00 4.12 H new ATOM 0 HD12 ILE A 15 -1.848 10.661 -1.547 1.00 4.12 H new ATOM 0 HD13 ILE A 15 -2.696 9.103 -1.689 1.00 4.12 H new ATOM 256 N THR A 16 -5.742 9.667 1.662 1.00 75.32 N ATOM 257 CA THR A 16 -6.492 10.005 2.877 1.00 33.32 C ATOM 258 C THR A 16 -5.896 11.232 3.582 1.00 24.32 C ATOM 259 O THR A 16 -6.621 12.133 4.002 1.00 70.20 O ATOM 260 CB THR A 16 -6.506 8.826 3.873 1.00 31.22 C ATOM 261 OG1 THR A 16 -5.162 8.477 4.237 1.00 61.42 O ATOM 262 CG2 THR A 16 -7.208 7.611 3.277 1.00 61.22 C ATOM 0 H THR A 16 -5.054 8.924 1.789 1.00 75.32 H new ATOM 0 HA THR A 16 -7.511 10.228 2.561 1.00 33.32 H new ATOM 0 HB THR A 16 -7.056 9.139 4.761 1.00 31.22 H new ATOM 0 HG1 THR A 16 -5.178 7.729 4.870 1.00 61.42 H new ATOM 0 HG21 THR A 16 -7.203 6.796 4.001 1.00 61.22 H new ATOM 0 HG22 THR A 16 -8.238 7.870 3.030 1.00 61.22 H new ATOM 0 HG23 THR A 16 -6.686 7.297 2.373 1.00 61.22 H new ATOM 270 N VAL A 17 -4.571 11.255 3.704 1.00 41.34 N ATOM 271 CA VAL A 17 -3.861 12.364 4.359 1.00 13.53 C ATOM 272 C VAL A 17 -3.491 13.470 3.356 1.00 11.41 C ATOM 273 O VAL A 17 -3.102 13.188 2.226 1.00 41.01 O ATOM 274 CB VAL A 17 -2.575 11.858 5.070 1.00 60.24 C ATOM 275 CG1 VAL A 17 -2.930 10.858 6.167 1.00 61.11 C ATOM 276 CG2 VAL A 17 -1.595 11.240 4.068 1.00 53.11 C ATOM 0 H VAL A 17 -3.959 10.516 3.357 1.00 41.34 H new ATOM 0 HA VAL A 17 -4.540 12.783 5.102 1.00 13.53 H new ATOM 0 HB VAL A 17 -2.083 12.715 5.530 1.00 60.24 H new ATOM 0 HG11 VAL A 17 -2.018 10.514 6.655 1.00 61.11 H new ATOM 0 HG12 VAL A 17 -3.575 11.338 6.902 1.00 61.11 H new ATOM 0 HG13 VAL A 17 -3.451 10.007 5.729 1.00 61.11 H new ATOM 0 HG21 VAL A 17 -0.705 10.895 4.595 1.00 53.11 H new ATOM 0 HG22 VAL A 17 -2.070 10.396 3.567 1.00 53.11 H new ATOM 0 HG23 VAL A 17 -1.311 11.988 3.328 1.00 53.11 H new ATOM 286 N ASP A 18 -3.631 14.731 3.767 1.00 44.33 N ATOM 287 CA ASP A 18 -3.315 15.874 2.899 1.00 65.41 C ATOM 288 C ASP A 18 -2.428 16.903 3.619 1.00 54.13 C ATOM 289 O ASP A 18 -2.330 16.902 4.848 1.00 10.45 O ATOM 290 CB ASP A 18 -4.611 16.547 2.436 1.00 52.44 C ATOM 291 CG ASP A 18 -5.401 17.118 3.600 1.00 1.03 C ATOM 292 OD1 ASP A 18 -6.085 16.342 4.297 1.00 21.20 O ATOM 293 OD2 ASP A 18 -5.325 18.339 3.842 1.00 5.31 O ATOM 0 H ASP A 18 -3.961 14.990 4.696 1.00 44.33 H new ATOM 0 HA ASP A 18 -2.764 15.497 2.037 1.00 65.41 H new ATOM 0 HB2 ASP A 18 -4.374 17.345 1.732 1.00 52.44 H new ATOM 0 HB3 ASP A 18 -5.225 15.822 1.901 1.00 52.44 H new ATOM 298 N GLY A 19 -1.780 17.775 2.842 1.00 24.04 N ATOM 299 CA GLY A 19 -1.012 18.885 3.418 1.00 45.11 C ATOM 300 C GLY A 19 0.157 18.460 4.304 1.00 51.14 C ATOM 301 O GLY A 19 0.762 19.296 4.975 1.00 11.22 O ATOM 0 H GLY A 19 -1.770 17.736 1.823 1.00 24.04 H new ATOM 0 HA2 GLY A 19 -0.629 19.504 2.606 1.00 45.11 H new ATOM 0 HA3 GLY A 19 -1.686 19.510 4.004 1.00 45.11 H new ATOM 305 N LYS A 20 0.485 17.173 4.309 1.00 42.01 N ATOM 306 CA LYS A 20 1.506 16.645 5.211 1.00 40.40 C ATOM 307 C LYS A 20 2.903 16.961 4.664 1.00 32.25 C ATOM 308 O LYS A 20 3.132 16.877 3.459 1.00 51.32 O ATOM 309 CB LYS A 20 1.296 15.133 5.394 1.00 63.53 C ATOM 310 CG LYS A 20 2.232 14.480 6.407 1.00 44.35 C ATOM 311 CD LYS A 20 1.826 13.036 6.689 1.00 63.13 C ATOM 312 CE LYS A 20 2.748 12.364 7.699 1.00 62.12 C ATOM 313 NZ LYS A 20 4.124 12.205 7.171 1.00 1.05 N ATOM 0 H LYS A 20 0.060 16.475 3.699 1.00 42.01 H new ATOM 0 HA LYS A 20 1.419 17.120 6.188 1.00 40.40 H new ATOM 0 HB2 LYS A 20 0.266 14.957 5.705 1.00 63.53 H new ATOM 0 HB3 LYS A 20 1.426 14.642 4.430 1.00 63.53 H new ATOM 0 HG2 LYS A 20 3.254 14.505 6.029 1.00 44.35 H new ATOM 0 HG3 LYS A 20 2.221 15.051 7.336 1.00 44.35 H new ATOM 0 HD2 LYS A 20 0.803 13.015 7.064 1.00 63.13 H new ATOM 0 HD3 LYS A 20 1.836 12.469 5.758 1.00 63.13 H new ATOM 0 HE2 LYS A 20 2.776 12.955 8.614 1.00 62.12 H new ATOM 0 HE3 LYS A 20 2.345 11.386 7.964 1.00 62.12 H new ATOM 0 HZ1 LYS A 20 4.728 11.775 7.900 1.00 1.05 H new ATOM 0 HZ2 LYS A 20 4.105 11.592 6.331 1.00 1.05 H new ATOM 0 HZ3 LYS A 20 4.506 13.137 6.911 1.00 1.05 H new ATOM 327 N GLU A 21 3.824 17.353 5.540 1.00 42.41 N ATOM 328 CA GLU A 21 5.151 17.810 5.107 1.00 33.41 C ATOM 329 C GLU A 21 6.282 17.066 5.834 1.00 2.14 C ATOM 330 O GLU A 21 6.090 16.509 6.917 1.00 14.13 O ATOM 331 CB GLU A 21 5.296 19.319 5.369 1.00 74.53 C ATOM 332 CG GLU A 21 5.319 19.677 6.854 1.00 71.24 C ATOM 333 CD GLU A 21 5.403 21.172 7.115 1.00 72.22 C ATOM 334 OE1 GLU A 21 6.523 21.725 7.120 1.00 64.53 O ATOM 335 OE2 GLU A 21 4.348 21.803 7.330 1.00 61.12 O ATOM 0 H GLU A 21 3.682 17.365 6.550 1.00 42.41 H new ATOM 0 HA GLU A 21 5.234 17.599 4.041 1.00 33.41 H new ATOM 0 HB2 GLU A 21 6.215 19.675 4.903 1.00 74.53 H new ATOM 0 HB3 GLU A 21 4.471 19.845 4.889 1.00 74.53 H new ATOM 0 HG2 GLU A 21 4.420 19.283 7.329 1.00 71.24 H new ATOM 0 HG3 GLU A 21 6.170 19.185 7.325 1.00 71.24 H new ATOM 342 N VAL A 22 7.468 17.076 5.235 1.00 2.21 N ATOM 343 CA VAL A 22 8.667 16.553 5.888 1.00 2.41 C ATOM 344 C VAL A 22 9.414 17.680 6.627 1.00 41.22 C ATOM 345 O VAL A 22 10.599 17.920 6.396 1.00 73.12 O ATOM 346 CB VAL A 22 9.615 15.869 4.863 1.00 4.01 C ATOM 347 CG1 VAL A 22 8.991 14.581 4.325 1.00 54.43 C ATOM 348 CG2 VAL A 22 9.963 16.821 3.714 1.00 51.45 C ATOM 0 H VAL A 22 7.627 17.441 4.296 1.00 2.21 H new ATOM 0 HA VAL A 22 8.350 15.803 6.612 1.00 2.41 H new ATOM 0 HB VAL A 22 10.540 15.613 5.380 1.00 4.01 H new ATOM 0 HG11 VAL A 22 9.671 14.119 3.609 1.00 54.43 H new ATOM 0 HG12 VAL A 22 8.809 13.892 5.150 1.00 54.43 H new ATOM 0 HG13 VAL A 22 8.047 14.813 3.831 1.00 54.43 H new ATOM 0 HG21 VAL A 22 10.627 16.317 3.012 1.00 51.45 H new ATOM 0 HG22 VAL A 22 9.050 17.119 3.199 1.00 51.45 H new ATOM 0 HG23 VAL A 22 10.460 17.706 4.112 1.00 51.45 H new ATOM 358 N HIS A 23 8.716 18.338 7.559 1.00 34.14 N ATOM 359 CA HIS A 23 9.285 19.475 8.303 1.00 65.04 C ATOM 360 C HIS A 23 10.587 19.080 8.999 1.00 0.03 C ATOM 361 O HIS A 23 11.513 19.877 9.141 1.00 14.22 O ATOM 362 CB HIS A 23 8.269 20.001 9.327 1.00 52.11 C ATOM 363 CG HIS A 23 8.609 21.351 9.890 1.00 1.21 C ATOM 364 ND1 HIS A 23 7.955 22.507 9.521 1.00 63.24 N ATOM 365 CD2 HIS A 23 9.543 21.728 10.797 1.00 33.04 C ATOM 366 CE1 HIS A 23 8.466 23.530 10.175 1.00 13.31 C ATOM 367 NE2 HIS A 23 9.431 23.086 10.955 1.00 11.13 N ATOM 0 H HIS A 23 7.757 18.106 7.818 1.00 34.14 H new ATOM 0 HA HIS A 23 9.511 20.269 7.591 1.00 65.04 H new ATOM 0 HB2 HIS A 23 7.288 20.052 8.856 1.00 52.11 H new ATOM 0 HB3 HIS A 23 8.192 19.286 10.146 1.00 52.11 H new ATOM 0 HD1 HIS A 23 7.193 22.562 8.846 1.00 63.24 H new ATOM 0 HD2 HIS A 23 10.245 21.080 11.301 1.00 33.04 H new ATOM 0 HE1 HIS A 23 8.148 24.558 10.087 1.00 13.31 H new ATOM 376 N SER A 24 10.623 17.838 9.427 1.00 12.11 N ATOM 377 CA SER A 24 11.816 17.237 10.036 1.00 34.13 C ATOM 378 C SER A 24 11.870 15.733 9.737 1.00 1.03 C ATOM 379 O SER A 24 12.690 14.999 10.286 1.00 4.23 O ATOM 380 CB SER A 24 11.814 17.482 11.553 1.00 1.03 C ATOM 381 OG SER A 24 12.929 16.873 12.185 1.00 62.12 O ATOM 0 H SER A 24 9.827 17.203 9.368 1.00 12.11 H new ATOM 0 HA SER A 24 12.702 17.705 9.607 1.00 34.13 H new ATOM 0 HB2 SER A 24 11.826 18.554 11.748 1.00 1.03 H new ATOM 0 HB3 SER A 24 10.893 17.090 11.984 1.00 1.03 H new ATOM 0 HG SER A 24 13.225 16.103 11.656 1.00 62.12 H new ATOM 387 N LYS A 25 11.000 15.287 8.831 1.00 30.24 N ATOM 388 CA LYS A 25 10.868 13.861 8.504 1.00 61.23 C ATOM 389 C LYS A 25 11.625 13.498 7.218 1.00 5.00 C ATOM 390 O LYS A 25 11.573 12.357 6.760 1.00 73.23 O ATOM 391 CB LYS A 25 9.382 13.496 8.359 1.00 23.40 C ATOM 392 CG LYS A 25 8.560 13.737 9.622 1.00 32.11 C ATOM 393 CD LYS A 25 7.082 13.428 9.403 1.00 44.11 C ATOM 394 CE LYS A 25 6.268 13.621 10.679 1.00 31.13 C ATOM 395 NZ LYS A 25 6.656 12.659 11.745 1.00 71.02 N ATOM 0 H LYS A 25 10.371 15.894 8.306 1.00 30.24 H new ATOM 0 HA LYS A 25 11.310 13.289 9.320 1.00 61.23 H new ATOM 0 HB2 LYS A 25 8.953 14.077 7.542 1.00 23.40 H new ATOM 0 HB3 LYS A 25 9.302 12.445 8.080 1.00 23.40 H new ATOM 0 HG2 LYS A 25 8.945 13.116 10.431 1.00 32.11 H new ATOM 0 HG3 LYS A 25 8.672 14.775 9.936 1.00 32.11 H new ATOM 0 HD2 LYS A 25 6.688 14.075 8.619 1.00 44.11 H new ATOM 0 HD3 LYS A 25 6.973 12.401 9.054 1.00 44.11 H new ATOM 0 HE2 LYS A 25 6.404 14.639 11.044 1.00 31.13 H new ATOM 0 HE3 LYS A 25 5.208 13.502 10.453 1.00 31.13 H new ATOM 0 HZ1 LYS A 25 5.962 12.699 12.518 1.00 71.02 H new ATOM 0 HZ2 LYS A 25 6.681 11.697 11.352 1.00 71.02 H new ATOM 0 HZ3 LYS A 25 7.597 12.908 12.112 1.00 71.02 H new ATOM 409 N ALA A 26 12.330 14.474 6.647 1.00 12.14 N ATOM 410 CA ALA A 26 13.079 14.273 5.400 1.00 64.25 C ATOM 411 C ALA A 26 14.184 13.210 5.560 1.00 71.52 C ATOM 412 O ALA A 26 13.956 12.028 5.294 1.00 12.04 O ATOM 413 CB ALA A 26 13.666 15.597 4.930 1.00 64.21 C ATOM 0 H ALA A 26 12.400 15.418 7.028 1.00 12.14 H new ATOM 0 HA ALA A 26 12.385 13.902 4.645 1.00 64.25 H new ATOM 0 HB1 ALA A 26 14.220 15.441 4.005 1.00 64.21 H new ATOM 0 HB2 ALA A 26 12.861 16.310 4.755 1.00 64.21 H new ATOM 0 HB3 ALA A 26 14.338 15.989 5.694 1.00 64.21 H new ATOM 419 N ASP A 27 15.375 13.637 5.998 1.00 35.31 N ATOM 420 CA ASP A 27 16.488 12.710 6.257 1.00 43.40 C ATOM 421 C ASP A 27 17.697 13.456 6.853 1.00 22.03 C ATOM 422 O ASP A 27 18.582 13.903 6.124 1.00 53.03 O ATOM 423 CB ASP A 27 16.896 11.968 4.970 1.00 51.23 C ATOM 424 CG ASP A 27 17.850 10.812 5.238 1.00 31.31 C ATOM 425 OD1 ASP A 27 17.374 9.722 5.626 1.00 73.24 O ATOM 426 OD2 ASP A 27 19.075 10.982 5.065 1.00 45.02 O ATOM 0 H ASP A 27 15.594 14.616 6.181 1.00 35.31 H new ATOM 0 HA ASP A 27 16.147 11.973 6.984 1.00 43.40 H new ATOM 0 HB2 ASP A 27 16.002 11.589 4.475 1.00 51.23 H new ATOM 0 HB3 ASP A 27 17.367 12.671 4.283 1.00 51.23 H new ATOM 431 N ASN A 28 17.689 13.626 8.182 1.00 65.35 N ATOM 432 CA ASN A 28 18.797 14.266 8.924 1.00 54.31 C ATOM 433 C ASN A 28 19.293 15.578 8.276 1.00 73.43 C ATOM 434 O ASN A 28 20.445 15.975 8.453 1.00 34.52 O ATOM 435 CB ASN A 28 19.953 13.272 9.076 1.00 43.11 C ATOM 436 CG ASN A 28 19.566 12.071 9.925 1.00 45.50 C ATOM 437 OD1 ASN A 28 18.720 12.168 10.808 1.00 24.02 O ATOM 438 ND2 ASN A 28 20.194 10.937 9.684 1.00 53.43 N ATOM 0 H ASN A 28 16.917 13.326 8.778 1.00 65.35 H new ATOM 0 HA ASN A 28 18.408 14.543 9.904 1.00 54.31 H new ATOM 0 HB2 ASN A 28 20.270 12.932 8.090 1.00 43.11 H new ATOM 0 HB3 ASN A 28 20.807 13.776 9.529 1.00 43.11 H new ATOM 0 HD21 ASN A 28 19.981 10.108 10.239 1.00 53.43 H new ATOM 0 HD22 ASN A 28 20.893 10.889 8.942 1.00 53.43 H new ATOM 445 N GLY A 29 18.407 16.264 7.564 1.00 73.12 N ATOM 446 CA GLY A 29 18.772 17.510 6.900 1.00 33.11 C ATOM 447 C GLY A 29 17.564 18.376 6.573 1.00 65.15 C ATOM 448 O GLY A 29 17.300 18.678 5.410 1.00 11.32 O ATOM 0 H GLY A 29 17.436 15.981 7.432 1.00 73.12 H new ATOM 0 HA2 GLY A 29 19.454 18.071 7.539 1.00 33.11 H new ATOM 0 HA3 GLY A 29 19.311 17.283 5.980 1.00 33.11 H new ATOM 452 N GLN A 30 16.818 18.770 7.600 1.00 41.13 N ATOM 453 CA GLN A 30 15.600 19.562 7.400 1.00 34.22 C ATOM 454 C GLN A 30 15.911 20.982 6.892 1.00 3.01 C ATOM 455 O GLN A 30 16.060 21.927 7.665 1.00 1.15 O ATOM 456 CB GLN A 30 14.774 19.607 8.696 1.00 64.00 C ATOM 457 CG GLN A 30 15.555 20.101 9.913 1.00 74.03 C ATOM 458 CD GLN A 30 14.750 20.083 11.206 1.00 54.34 C ATOM 459 OE1 GLN A 30 15.299 19.878 12.282 1.00 73.23 O ATOM 460 NE2 GLN A 30 13.456 20.321 11.124 1.00 43.31 N ATOM 0 H GLN A 30 17.030 18.558 8.575 1.00 41.13 H new ATOM 0 HA GLN A 30 15.010 19.072 6.626 1.00 34.22 H new ATOM 0 HB2 GLN A 30 13.911 20.255 8.543 1.00 64.00 H new ATOM 0 HB3 GLN A 30 14.389 18.609 8.905 1.00 64.00 H new ATOM 0 HG2 GLN A 30 16.443 19.482 10.040 1.00 74.03 H new ATOM 0 HG3 GLN A 30 15.900 21.118 9.724 1.00 74.03 H new ATOM 0 HE21 GLN A 30 13.025 20.488 10.215 1.00 43.31 H new ATOM 0 HE22 GLN A 30 12.886 20.338 11.970 1.00 43.31 H new ATOM 469 N LYS A 31 16.037 21.106 5.575 1.00 23.42 N ATOM 470 CA LYS A 31 16.237 22.404 4.913 1.00 41.32 C ATOM 471 C LYS A 31 15.094 22.667 3.920 1.00 21.55 C ATOM 472 O LYS A 31 14.869 23.794 3.470 1.00 3.42 O ATOM 473 CB LYS A 31 17.612 22.388 4.205 1.00 4.31 C ATOM 474 CG LYS A 31 18.050 23.703 3.540 1.00 3.33 C ATOM 475 CD LYS A 31 17.451 23.910 2.142 1.00 52.30 C ATOM 476 CE LYS A 31 17.718 22.733 1.210 1.00 25.33 C ATOM 477 NZ LYS A 31 19.168 22.509 0.979 1.00 14.33 N ATOM 0 H LYS A 31 16.004 20.315 4.932 1.00 23.42 H new ATOM 0 HA LYS A 31 16.227 23.212 5.645 1.00 41.32 H new ATOM 0 HB2 LYS A 31 18.370 22.105 4.935 1.00 4.31 H new ATOM 0 HB3 LYS A 31 17.596 21.608 3.444 1.00 4.31 H new ATOM 0 HG2 LYS A 31 17.760 24.538 4.178 1.00 3.33 H new ATOM 0 HG3 LYS A 31 19.137 23.720 3.467 1.00 3.33 H new ATOM 0 HD2 LYS A 31 16.375 24.062 2.230 1.00 52.30 H new ATOM 0 HD3 LYS A 31 17.866 24.817 1.704 1.00 52.30 H new ATOM 0 HE2 LYS A 31 17.277 21.831 1.634 1.00 25.33 H new ATOM 0 HE3 LYS A 31 17.224 22.911 0.255 1.00 25.33 H new ATOM 0 HZ1 LYS A 31 19.297 21.699 0.340 1.00 14.33 H new ATOM 0 HZ2 LYS A 31 19.586 23.359 0.550 1.00 14.33 H new ATOM 0 HZ3 LYS A 31 19.638 22.312 1.886 1.00 14.33 H new ATOM 491 N TYR A 32 14.350 21.612 3.631 1.00 25.53 N ATOM 492 CA TYR A 32 13.315 21.623 2.595 1.00 2.11 C ATOM 493 C TYR A 32 11.984 21.057 3.125 1.00 51.31 C ATOM 494 O TYR A 32 11.857 19.856 3.368 1.00 73.13 O ATOM 495 CB TYR A 32 13.803 20.819 1.371 1.00 75.11 C ATOM 496 CG TYR A 32 14.452 19.483 1.722 1.00 12.31 C ATOM 497 CD1 TYR A 32 15.728 19.439 2.280 1.00 52.24 C ATOM 498 CD2 TYR A 32 13.797 18.274 1.500 1.00 11.24 C ATOM 499 CE1 TYR A 32 16.328 18.239 2.604 1.00 44.43 C ATOM 500 CE2 TYR A 32 14.396 17.069 1.823 1.00 25.42 C ATOM 501 CZ TYR A 32 15.661 17.057 2.374 1.00 42.12 C ATOM 502 OH TYR A 32 16.262 15.858 2.696 1.00 31.32 O ATOM 0 H TYR A 32 14.443 20.715 4.108 1.00 25.53 H new ATOM 0 HA TYR A 32 13.132 22.655 2.297 1.00 2.11 H new ATOM 0 HB2 TYR A 32 12.957 20.637 0.708 1.00 75.11 H new ATOM 0 HB3 TYR A 32 14.519 21.424 0.815 1.00 75.11 H new ATOM 0 HD1 TYR A 32 16.258 20.362 2.463 1.00 52.24 H new ATOM 0 HD2 TYR A 32 12.807 18.277 1.069 1.00 11.24 H new ATOM 0 HE1 TYR A 32 17.318 18.227 3.037 1.00 44.43 H new ATOM 0 HE2 TYR A 32 13.875 16.140 1.644 1.00 25.42 H new ATOM 0 HH TYR A 32 16.867 15.989 3.456 1.00 31.32 H new ATOM 512 N LYS A 33 10.998 21.932 3.322 1.00 42.30 N ATOM 513 CA LYS A 33 9.677 21.509 3.795 1.00 73.22 C ATOM 514 C LYS A 33 8.768 21.129 2.619 1.00 53.34 C ATOM 515 O LYS A 33 7.819 21.849 2.287 1.00 65.21 O ATOM 516 CB LYS A 33 9.021 22.617 4.633 1.00 53.34 C ATOM 517 CG LYS A 33 9.837 23.033 5.852 1.00 43.24 C ATOM 518 CD LYS A 33 9.151 24.118 6.688 1.00 52.34 C ATOM 519 CE LYS A 33 9.003 25.447 5.943 1.00 30.22 C ATOM 520 NZ LYS A 33 7.966 25.394 4.877 1.00 14.44 N ATOM 0 H LYS A 33 11.087 22.936 3.162 1.00 42.30 H new ATOM 0 HA LYS A 33 9.813 20.629 4.423 1.00 73.22 H new ATOM 0 HB2 LYS A 33 8.859 23.490 4.001 1.00 53.34 H new ATOM 0 HB3 LYS A 33 8.040 22.277 4.963 1.00 53.34 H new ATOM 0 HG2 LYS A 33 10.017 22.159 6.478 1.00 43.24 H new ATOM 0 HG3 LYS A 33 10.811 23.396 5.524 1.00 43.24 H new ATOM 0 HD2 LYS A 33 8.165 23.766 6.990 1.00 52.34 H new ATOM 0 HD3 LYS A 33 9.724 24.282 7.600 1.00 52.34 H new ATOM 0 HE2 LYS A 33 8.747 26.232 6.655 1.00 30.22 H new ATOM 0 HE3 LYS A 33 9.961 25.719 5.500 1.00 30.22 H new ATOM 0 HZ1 LYS A 33 8.427 25.381 3.945 1.00 14.44 H new ATOM 0 HZ2 LYS A 33 7.394 24.533 4.992 1.00 14.44 H new ATOM 0 HZ3 LYS A 33 7.352 26.230 4.948 1.00 14.44 H new ATOM 534 N ASP A 34 9.090 20.022 1.959 1.00 70.03 N ATOM 535 CA ASP A 34 8.253 19.500 0.877 1.00 55.11 C ATOM 536 C ASP A 34 7.147 18.590 1.431 1.00 0.23 C ATOM 537 O ASP A 34 7.181 18.188 2.598 1.00 13.55 O ATOM 538 CB ASP A 34 9.108 18.751 -0.154 1.00 33.12 C ATOM 539 CG ASP A 34 10.034 19.684 -0.917 1.00 32.21 C ATOM 540 OD1 ASP A 34 9.543 20.424 -1.798 1.00 22.23 O ATOM 541 OD2 ASP A 34 11.251 19.687 -0.644 1.00 21.51 O ATOM 0 H ASP A 34 9.924 19.467 2.152 1.00 70.03 H new ATOM 0 HA ASP A 34 7.777 20.344 0.378 1.00 55.11 H new ATOM 0 HB2 ASP A 34 9.700 17.988 0.352 1.00 33.12 H new ATOM 0 HB3 ASP A 34 8.456 18.234 -0.858 1.00 33.12 H new ATOM 546 N TYR A 35 6.165 18.270 0.595 1.00 54.54 N ATOM 547 CA TYR A 35 4.996 17.505 1.036 1.00 3.22 C ATOM 548 C TYR A 35 5.234 15.990 0.960 1.00 53.51 C ATOM 549 O TYR A 35 6.073 15.512 0.194 1.00 42.40 O ATOM 550 CB TYR A 35 3.765 17.914 0.219 1.00 41.02 C ATOM 551 CG TYR A 35 3.337 19.344 0.495 1.00 44.04 C ATOM 552 CD1 TYR A 35 4.007 20.418 -0.083 1.00 2.02 C ATOM 553 CD2 TYR A 35 2.280 19.622 1.355 1.00 3.34 C ATOM 554 CE1 TYR A 35 3.634 21.720 0.183 1.00 12.33 C ATOM 555 CE2 TYR A 35 1.905 20.923 1.628 1.00 55.13 C ATOM 556 CZ TYR A 35 2.585 21.967 1.041 1.00 4.12 C ATOM 557 OH TYR A 35 2.215 23.264 1.315 1.00 62.41 O ATOM 0 H TYR A 35 6.152 18.527 -0.392 1.00 54.54 H new ATOM 0 HA TYR A 35 4.818 17.740 2.085 1.00 3.22 H new ATOM 0 HB2 TYR A 35 3.983 17.801 -0.843 1.00 41.02 H new ATOM 0 HB3 TYR A 35 2.940 17.240 0.448 1.00 41.02 H new ATOM 0 HD1 TYR A 35 4.834 20.229 -0.752 1.00 2.02 H new ATOM 0 HD2 TYR A 35 1.743 18.807 1.817 1.00 3.34 H new ATOM 0 HE1 TYR A 35 4.162 22.541 -0.279 1.00 12.33 H new ATOM 0 HE2 TYR A 35 1.082 21.121 2.299 1.00 55.13 H new ATOM 0 HH TYR A 35 1.458 23.264 1.937 1.00 62.41 H new ATOM 567 N GLU A 36 4.481 15.237 1.756 1.00 72.24 N ATOM 568 CA GLU A 36 4.693 13.795 1.884 1.00 2.30 C ATOM 569 C GLU A 36 3.402 13.088 2.303 1.00 1.31 C ATOM 570 O GLU A 36 2.649 13.589 3.138 1.00 11.53 O ATOM 571 CB GLU A 36 5.824 13.519 2.894 1.00 11.21 C ATOM 572 CG GLU A 36 6.060 12.038 3.214 1.00 31.44 C ATOM 573 CD GLU A 36 5.502 11.626 4.572 1.00 14.20 C ATOM 574 OE1 GLU A 36 6.199 11.815 5.592 1.00 54.20 O ATOM 575 OE2 GLU A 36 4.357 11.129 4.635 1.00 42.21 O ATOM 0 H GLU A 36 3.716 15.601 2.324 1.00 72.24 H new ATOM 0 HA GLU A 36 4.987 13.397 0.913 1.00 2.30 H new ATOM 0 HB2 GLU A 36 6.750 13.943 2.505 1.00 11.21 H new ATOM 0 HB3 GLU A 36 5.598 14.044 3.822 1.00 11.21 H new ATOM 0 HG2 GLU A 36 5.600 11.426 2.438 1.00 31.44 H new ATOM 0 HG3 GLU A 36 7.130 11.833 3.190 1.00 31.44 H new ATOM 582 N TYR A 37 3.140 11.936 1.702 1.00 11.22 N ATOM 583 CA TYR A 37 1.913 11.186 1.968 1.00 2.30 C ATOM 584 C TYR A 37 2.230 9.718 2.289 1.00 13.25 C ATOM 585 O TYR A 37 2.533 8.928 1.392 1.00 52.40 O ATOM 586 CB TYR A 37 0.973 11.272 0.754 1.00 23.51 C ATOM 587 CG TYR A 37 0.662 12.693 0.307 1.00 23.15 C ATOM 588 CD1 TYR A 37 1.544 13.393 -0.513 1.00 22.53 C ATOM 589 CD2 TYR A 37 -0.508 13.328 0.700 1.00 61.11 C ATOM 590 CE1 TYR A 37 1.265 14.681 -0.925 1.00 23.13 C ATOM 591 CE2 TYR A 37 -0.796 14.615 0.288 1.00 60.32 C ATOM 592 CZ TYR A 37 0.095 15.288 -0.524 1.00 63.33 C ATOM 593 OH TYR A 37 -0.190 16.568 -0.946 1.00 23.32 O ATOM 0 H TYR A 37 3.762 11.496 1.023 1.00 11.22 H new ATOM 0 HA TYR A 37 1.419 11.626 2.835 1.00 2.30 H new ATOM 0 HB2 TYR A 37 1.422 10.731 -0.079 1.00 23.51 H new ATOM 0 HB3 TYR A 37 0.038 10.766 0.995 1.00 23.51 H new ATOM 0 HD1 TYR A 37 2.461 12.920 -0.832 1.00 22.53 H new ATOM 0 HD2 TYR A 37 -1.206 12.807 1.339 1.00 61.11 H new ATOM 0 HE1 TYR A 37 1.961 15.210 -1.559 1.00 23.13 H new ATOM 0 HE2 TYR A 37 -1.713 15.092 0.600 1.00 60.32 H new ATOM 0 HH TYR A 37 -0.966 16.910 -0.454 1.00 23.32 H new ATOM 603 N LYS A 38 2.193 9.368 3.574 1.00 25.11 N ATOM 604 CA LYS A 38 2.426 7.984 4.007 1.00 73.15 C ATOM 605 C LYS A 38 1.102 7.223 4.155 1.00 54.43 C ATOM 606 O LYS A 38 0.239 7.603 4.956 1.00 60.53 O ATOM 607 CB LYS A 38 3.195 7.953 5.336 1.00 1.15 C ATOM 608 CG LYS A 38 3.730 6.567 5.696 1.00 22.30 C ATOM 609 CD LYS A 38 4.338 6.533 7.093 1.00 72.30 C ATOM 610 CE LYS A 38 3.275 6.718 8.169 1.00 20.31 C ATOM 611 NZ LYS A 38 2.250 5.639 8.123 1.00 3.02 N ATOM 0 H LYS A 38 2.004 10.020 4.335 1.00 25.11 H new ATOM 0 HA LYS A 38 3.025 7.494 3.240 1.00 73.15 H new ATOM 0 HB2 LYS A 38 4.029 8.653 5.281 1.00 1.15 H new ATOM 0 HB3 LYS A 38 2.539 8.300 6.135 1.00 1.15 H new ATOM 0 HG2 LYS A 38 2.921 5.839 5.635 1.00 22.30 H new ATOM 0 HG3 LYS A 38 4.482 6.268 4.966 1.00 22.30 H new ATOM 0 HD2 LYS A 38 4.850 5.583 7.245 1.00 72.30 H new ATOM 0 HD3 LYS A 38 5.089 7.318 7.183 1.00 72.30 H new ATOM 0 HE2 LYS A 38 3.749 6.728 9.151 1.00 20.31 H new ATOM 0 HE3 LYS A 38 2.791 7.686 8.039 1.00 20.31 H new ATOM 0 HZ1 LYS A 38 1.516 5.826 8.836 1.00 3.02 H new ATOM 0 HZ2 LYS A 38 1.816 5.613 7.178 1.00 3.02 H new ATOM 0 HZ3 LYS A 38 2.701 4.723 8.323 1.00 3.02 H new ATOM 625 N LEU A 39 0.957 6.143 3.395 1.00 51.21 N ATOM 626 CA LEU A 39 -0.281 5.360 3.379 1.00 22.45 C ATOM 627 C LEU A 39 -0.019 3.860 3.139 1.00 34.44 C ATOM 628 O LEU A 39 1.046 3.460 2.662 1.00 44.14 O ATOM 629 CB LEU A 39 -1.248 5.934 2.321 1.00 42.34 C ATOM 630 CG LEU A 39 -0.594 6.492 1.038 1.00 61.01 C ATOM 631 CD1 LEU A 39 0.136 5.397 0.263 1.00 62.41 C ATOM 632 CD2 LEU A 39 -1.639 7.183 0.160 1.00 54.24 C ATOM 0 H LEU A 39 1.685 5.785 2.777 1.00 51.21 H new ATOM 0 HA LEU A 39 -0.742 5.439 4.363 1.00 22.45 H new ATOM 0 HB2 LEU A 39 -1.950 5.150 2.036 1.00 42.34 H new ATOM 0 HB3 LEU A 39 -1.830 6.730 2.784 1.00 42.34 H new ATOM 0 HG LEU A 39 0.149 7.233 1.334 1.00 61.01 H new ATOM 0 HD11 LEU A 39 0.585 5.824 -0.634 1.00 62.41 H new ATOM 0 HD12 LEU A 39 0.917 4.967 0.890 1.00 62.41 H new ATOM 0 HD13 LEU A 39 -0.572 4.618 -0.021 1.00 62.41 H new ATOM 0 HD21 LEU A 39 -1.160 7.570 -0.739 1.00 54.24 H new ATOM 0 HD22 LEU A 39 -2.411 6.466 -0.120 1.00 54.24 H new ATOM 0 HD23 LEU A 39 -2.092 8.006 0.713 1.00 54.24 H new ATOM 644 N THR A 40 -1.004 3.035 3.479 1.00 50.01 N ATOM 645 CA THR A 40 -0.880 1.580 3.344 1.00 63.12 C ATOM 646 C THR A 40 -1.214 1.102 1.923 1.00 44.22 C ATOM 647 O THR A 40 -2.369 1.147 1.498 1.00 34.22 O ATOM 648 CB THR A 40 -1.800 0.840 4.345 1.00 14.04 C ATOM 649 OG1 THR A 40 -1.543 1.306 5.679 1.00 73.34 O ATOM 650 CG2 THR A 40 -1.583 -0.671 4.280 1.00 3.14 C ATOM 0 H THR A 40 -1.901 3.346 3.852 1.00 50.01 H new ATOM 0 HA THR A 40 0.162 1.344 3.561 1.00 63.12 H new ATOM 0 HB THR A 40 -2.835 1.051 4.074 1.00 14.04 H new ATOM 0 HG1 THR A 40 -2.129 0.836 6.308 1.00 73.34 H new ATOM 0 HG21 THR A 40 -2.243 -1.164 4.994 1.00 3.14 H new ATOM 0 HG22 THR A 40 -1.805 -1.028 3.274 1.00 3.14 H new ATOM 0 HG23 THR A 40 -0.546 -0.901 4.525 1.00 3.14 H new ATOM 658 N GLY A 41 -0.194 0.655 1.194 1.00 12.52 N ATOM 659 CA GLY A 41 -0.406 0.061 -0.120 1.00 41.54 C ATOM 660 C GLY A 41 -0.849 -1.397 -0.042 1.00 33.32 C ATOM 661 O GLY A 41 -0.568 -2.088 0.940 1.00 30.33 O ATOM 0 H GLY A 41 0.781 0.693 1.490 1.00 12.52 H new ATOM 0 HA2 GLY A 41 -1.159 0.637 -0.658 1.00 41.54 H new ATOM 0 HA3 GLY A 41 0.517 0.126 -0.697 1.00 41.54 H new ATOM 665 N PHE A 42 -1.548 -1.868 -1.073 1.00 63.12 N ATOM 666 CA PHE A 42 -2.036 -3.253 -1.110 1.00 1.15 C ATOM 667 C PHE A 42 -1.505 -4.007 -2.339 1.00 22.04 C ATOM 668 O PHE A 42 -1.649 -3.551 -3.475 1.00 24.44 O ATOM 669 CB PHE A 42 -3.570 -3.278 -1.103 1.00 62.11 C ATOM 670 CG PHE A 42 -4.178 -2.690 0.148 1.00 11.43 C ATOM 671 CD1 PHE A 42 -4.236 -3.431 1.321 1.00 33.44 C ATOM 672 CD2 PHE A 42 -4.682 -1.396 0.153 1.00 75.02 C ATOM 673 CE1 PHE A 42 -4.784 -2.893 2.471 1.00 64.11 C ATOM 674 CE2 PHE A 42 -5.230 -0.857 1.301 1.00 43.44 C ATOM 675 CZ PHE A 42 -5.281 -1.606 2.459 1.00 14.14 C ATOM 0 H PHE A 42 -1.791 -1.315 -1.895 1.00 63.12 H new ATOM 0 HA PHE A 42 -1.663 -3.758 -0.219 1.00 1.15 H new ATOM 0 HB2 PHE A 42 -3.938 -2.728 -1.969 1.00 62.11 H new ATOM 0 HB3 PHE A 42 -3.909 -4.308 -1.212 1.00 62.11 H new ATOM 0 HD1 PHE A 42 -3.849 -4.439 1.335 1.00 33.44 H new ATOM 0 HD2 PHE A 42 -4.645 -0.805 -0.750 1.00 75.02 H new ATOM 0 HE1 PHE A 42 -4.823 -3.479 3.377 1.00 64.11 H new ATOM 0 HE2 PHE A 42 -5.619 0.151 1.292 1.00 43.44 H new ATOM 0 HZ PHE A 42 -5.710 -1.185 3.356 1.00 14.14 H new ATOM 685 N ASP A 43 -0.888 -5.161 -2.093 1.00 53.35 N ATOM 686 CA ASP A 43 -0.339 -6.003 -3.164 1.00 32.42 C ATOM 687 C ASP A 43 -1.465 -6.676 -3.974 1.00 21.34 C ATOM 688 O ASP A 43 -2.563 -6.899 -3.460 1.00 11.23 O ATOM 689 CB ASP A 43 0.600 -7.060 -2.560 1.00 21.22 C ATOM 690 CG ASP A 43 1.273 -7.934 -3.606 1.00 40.10 C ATOM 691 OD1 ASP A 43 0.662 -8.934 -4.034 1.00 21.52 O ATOM 692 OD2 ASP A 43 2.420 -7.632 -3.999 1.00 73.24 O ATOM 0 H ASP A 43 -0.753 -5.540 -1.156 1.00 53.35 H new ATOM 0 HA ASP A 43 0.227 -5.371 -3.848 1.00 32.42 H new ATOM 0 HB2 ASP A 43 1.366 -6.560 -1.967 1.00 21.22 H new ATOM 0 HB3 ASP A 43 0.032 -7.693 -1.878 1.00 21.22 H new ATOM 697 N LYS A 44 -1.170 -7.018 -5.229 1.00 45.01 N ATOM 698 CA LYS A 44 -2.167 -7.590 -6.150 1.00 15.53 C ATOM 699 C LYS A 44 -2.827 -8.872 -5.606 1.00 50.22 C ATOM 700 O LYS A 44 -3.956 -9.194 -5.969 1.00 62.44 O ATOM 701 CB LYS A 44 -1.518 -7.903 -7.507 1.00 70.15 C ATOM 702 CG LYS A 44 -0.354 -8.892 -7.421 1.00 13.34 C ATOM 703 CD LYS A 44 0.071 -9.405 -8.797 1.00 12.24 C ATOM 704 CE LYS A 44 -1.055 -10.176 -9.478 1.00 13.02 C ATOM 705 NZ LYS A 44 -0.658 -10.697 -10.812 1.00 60.42 N ATOM 0 H LYS A 44 -0.242 -6.909 -5.638 1.00 45.01 H new ATOM 0 HA LYS A 44 -2.947 -6.837 -6.261 1.00 15.53 H new ATOM 0 HB2 LYS A 44 -2.277 -8.306 -8.178 1.00 70.15 H new ATOM 0 HB3 LYS A 44 -1.161 -6.974 -7.952 1.00 70.15 H new ATOM 0 HG2 LYS A 44 0.495 -8.410 -6.937 1.00 13.34 H new ATOM 0 HG3 LYS A 44 -0.642 -9.736 -6.794 1.00 13.34 H new ATOM 0 HD2 LYS A 44 0.369 -8.564 -9.424 1.00 12.24 H new ATOM 0 HD3 LYS A 44 0.944 -10.050 -8.693 1.00 12.24 H new ATOM 0 HE2 LYS A 44 -1.359 -11.007 -8.842 1.00 13.02 H new ATOM 0 HE3 LYS A 44 -1.922 -9.525 -9.588 1.00 13.02 H new ATOM 0 HZ1 LYS A 44 -1.456 -11.213 -11.235 1.00 60.42 H new ATOM 0 HZ2 LYS A 44 -0.393 -9.903 -11.430 1.00 60.42 H new ATOM 0 HZ3 LYS A 44 0.153 -11.340 -10.706 1.00 60.42 H new ATOM 719 N ASP A 45 -2.117 -9.605 -4.752 1.00 54.44 N ATOM 720 CA ASP A 45 -2.620 -10.875 -4.213 1.00 54.51 C ATOM 721 C ASP A 45 -3.467 -10.661 -2.939 1.00 4.54 C ATOM 722 O ASP A 45 -3.978 -11.614 -2.348 1.00 31.21 O ATOM 723 CB ASP A 45 -1.433 -11.802 -3.922 1.00 0.42 C ATOM 724 CG ASP A 45 -1.850 -13.245 -3.696 1.00 34.52 C ATOM 725 OD1 ASP A 45 -2.167 -13.936 -4.690 1.00 72.05 O ATOM 726 OD2 ASP A 45 -1.844 -13.704 -2.534 1.00 20.25 O ATOM 0 H ASP A 45 -1.190 -9.345 -4.415 1.00 54.44 H new ATOM 0 HA ASP A 45 -3.272 -11.333 -4.956 1.00 54.51 H new ATOM 0 HB2 ASP A 45 -0.732 -11.758 -4.755 1.00 0.42 H new ATOM 0 HB3 ASP A 45 -0.904 -11.440 -3.041 1.00 0.42 H new ATOM 731 N GLY A 46 -3.627 -9.404 -2.534 1.00 21.44 N ATOM 732 CA GLY A 46 -4.354 -9.089 -1.308 1.00 63.33 C ATOM 733 C GLY A 46 -3.443 -9.031 -0.085 1.00 42.14 C ATOM 734 O GLY A 46 -3.748 -9.606 0.964 1.00 45.41 O ATOM 0 H GLY A 46 -3.265 -8.591 -3.033 1.00 21.44 H new ATOM 0 HA2 GLY A 46 -4.860 -8.131 -1.426 1.00 63.33 H new ATOM 0 HA3 GLY A 46 -5.127 -9.840 -1.145 1.00 63.33 H new ATOM 738 N LYS A 47 -2.313 -8.342 -0.224 1.00 25.03 N ATOM 739 CA LYS A 47 -1.327 -8.216 0.858 1.00 42.30 C ATOM 740 C LYS A 47 -1.097 -6.739 1.222 1.00 24.14 C ATOM 741 O LYS A 47 -1.704 -5.844 0.633 1.00 51.51 O ATOM 742 CB LYS A 47 -0.009 -8.887 0.441 1.00 2.42 C ATOM 743 CG LYS A 47 -0.175 -10.355 0.050 1.00 2.03 C ATOM 744 CD LYS A 47 1.102 -10.938 -0.542 1.00 52.32 C ATOM 745 CE LYS A 47 0.916 -12.393 -0.959 1.00 41.13 C ATOM 746 NZ LYS A 47 2.124 -12.941 -1.633 1.00 44.44 N ATOM 0 H LYS A 47 -2.052 -7.856 -1.082 1.00 25.03 H new ATOM 0 HA LYS A 47 -1.713 -8.719 1.744 1.00 42.30 H new ATOM 0 HB2 LYS A 47 0.419 -8.341 -0.400 1.00 2.42 H new ATOM 0 HB3 LYS A 47 0.703 -8.816 1.263 1.00 2.42 H new ATOM 0 HG2 LYS A 47 -0.464 -10.933 0.928 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -0.985 -10.448 -0.674 1.00 2.03 H new ATOM 0 HD2 LYS A 47 1.405 -10.347 -1.406 1.00 52.32 H new ATOM 0 HD3 LYS A 47 1.907 -10.869 0.190 1.00 52.32 H new ATOM 0 HE2 LYS A 47 0.687 -12.995 -0.080 1.00 41.13 H new ATOM 0 HE3 LYS A 47 0.060 -12.471 -1.630 1.00 41.13 H new ATOM 0 HZ1 LYS A 47 1.954 -13.932 -1.899 1.00 44.44 H new ATOM 0 HZ2 LYS A 47 2.328 -12.383 -2.487 1.00 44.44 H new ATOM 0 HZ3 LYS A 47 2.936 -12.891 -0.985 1.00 44.44 H new ATOM 760 N GLU A 48 -0.216 -6.490 2.187 1.00 62.13 N ATOM 761 CA GLU A 48 0.009 -5.133 2.711 1.00 10.35 C ATOM 762 C GLU A 48 1.375 -4.547 2.305 1.00 45.00 C ATOM 763 O GLU A 48 2.284 -5.273 1.898 1.00 3.24 O ATOM 764 CB GLU A 48 -0.120 -5.141 4.249 1.00 21.03 C ATOM 765 CG GLU A 48 0.420 -6.404 4.940 1.00 3.05 C ATOM 766 CD GLU A 48 1.854 -6.762 4.559 1.00 71.40 C ATOM 767 OE1 GLU A 48 2.793 -6.092 5.036 1.00 73.33 O ATOM 768 OE2 GLU A 48 2.040 -7.715 3.765 1.00 63.50 O ATOM 0 H GLU A 48 0.359 -7.208 2.628 1.00 62.13 H new ATOM 0 HA GLU A 48 -0.753 -4.492 2.269 1.00 10.35 H new ATOM 0 HB2 GLU A 48 0.407 -4.274 4.647 1.00 21.03 H new ATOM 0 HB3 GLU A 48 -1.171 -5.023 4.511 1.00 21.03 H new ATOM 0 HG2 GLU A 48 0.367 -6.264 6.020 1.00 3.05 H new ATOM 0 HG3 GLU A 48 -0.230 -7.244 4.695 1.00 3.05 H new ATOM 775 N LYS A 49 1.490 -3.220 2.395 1.00 62.03 N ATOM 776 CA LYS A 49 2.785 -2.537 2.297 1.00 43.52 C ATOM 777 C LYS A 49 2.652 -1.051 2.678 1.00 63.24 C ATOM 778 O LYS A 49 2.317 -0.207 1.849 1.00 53.33 O ATOM 779 CB LYS A 49 3.393 -2.687 0.888 1.00 54.41 C ATOM 780 CG LYS A 49 4.915 -2.806 0.901 1.00 74.44 C ATOM 781 CD LYS A 49 5.358 -4.032 1.703 1.00 64.02 C ATOM 782 CE LYS A 49 6.868 -4.103 1.874 1.00 34.11 C ATOM 783 NZ LYS A 49 7.267 -5.256 2.726 1.00 34.22 N ATOM 0 H LYS A 49 0.698 -2.593 2.536 1.00 62.03 H new ATOM 0 HA LYS A 49 3.464 -3.012 3.005 1.00 43.52 H new ATOM 0 HB2 LYS A 49 2.970 -3.570 0.408 1.00 54.41 H new ATOM 0 HB3 LYS A 49 3.107 -1.827 0.282 1.00 54.41 H new ATOM 0 HG2 LYS A 49 5.287 -2.881 -0.121 1.00 74.44 H new ATOM 0 HG3 LYS A 49 5.351 -1.906 1.334 1.00 74.44 H new ATOM 0 HD2 LYS A 49 4.885 -4.010 2.685 1.00 64.02 H new ATOM 0 HD3 LYS A 49 5.010 -4.935 1.202 1.00 64.02 H new ATOM 0 HE2 LYS A 49 7.342 -4.190 0.896 1.00 34.11 H new ATOM 0 HE3 LYS A 49 7.228 -3.177 2.321 1.00 34.11 H new ATOM 0 HZ1 LYS A 49 8.302 -5.275 2.822 1.00 34.22 H new ATOM 0 HZ2 LYS A 49 6.834 -5.159 3.666 1.00 34.22 H new ATOM 0 HZ3 LYS A 49 6.944 -6.141 2.286 1.00 34.22 H new ATOM 797 N GLU A 50 2.903 -0.746 3.950 1.00 34.24 N ATOM 798 CA GLU A 50 2.744 0.617 4.483 1.00 31.22 C ATOM 799 C GLU A 50 3.966 1.488 4.122 1.00 1.04 C ATOM 800 O GLU A 50 5.050 1.317 4.687 1.00 11.25 O ATOM 801 CB GLU A 50 2.553 0.535 6.014 1.00 13.32 C ATOM 802 CG GLU A 50 1.638 1.606 6.614 1.00 42.04 C ATOM 803 CD GLU A 50 2.267 2.989 6.686 1.00 12.34 C ATOM 804 OE1 GLU A 50 3.250 3.159 7.441 1.00 32.40 O ATOM 805 OE2 GLU A 50 1.753 3.922 6.040 1.00 11.11 O ATOM 0 H GLU A 50 3.220 -1.427 4.640 1.00 34.24 H new ATOM 0 HA GLU A 50 1.867 1.086 4.037 1.00 31.22 H new ATOM 0 HB2 GLU A 50 2.148 -0.446 6.262 1.00 13.32 H new ATOM 0 HB3 GLU A 50 3.531 0.606 6.491 1.00 13.32 H new ATOM 0 HG2 GLU A 50 0.726 1.664 6.020 1.00 42.04 H new ATOM 0 HG3 GLU A 50 1.346 1.298 7.618 1.00 42.04 H new ATOM 812 N LEU A 51 3.788 2.417 3.181 1.00 10.05 N ATOM 813 CA LEU A 51 4.907 3.209 2.643 1.00 10.24 C ATOM 814 C LEU A 51 4.541 4.690 2.451 1.00 44.33 C ATOM 815 O LEU A 51 3.396 5.090 2.646 1.00 55.01 O ATOM 816 CB LEU A 51 5.394 2.586 1.317 1.00 30.22 C ATOM 817 CG LEU A 51 4.299 2.244 0.280 1.00 11.43 C ATOM 818 CD1 LEU A 51 3.722 3.502 -0.373 1.00 14.44 C ATOM 819 CD2 LEU A 51 4.844 1.286 -0.777 1.00 51.02 C ATOM 0 H LEU A 51 2.881 2.643 2.773 1.00 10.05 H new ATOM 0 HA LEU A 51 5.714 3.183 3.375 1.00 10.24 H new ATOM 0 HB2 LEU A 51 6.101 3.275 0.854 1.00 30.22 H new ATOM 0 HB3 LEU A 51 5.943 1.673 1.549 1.00 30.22 H new ATOM 0 HG LEU A 51 3.484 1.752 0.811 1.00 11.43 H new ATOM 0 HD11 LEU A 51 2.956 3.219 -1.095 1.00 14.44 H new ATOM 0 HD12 LEU A 51 3.280 4.140 0.393 1.00 14.44 H new ATOM 0 HD13 LEU A 51 4.518 4.045 -0.883 1.00 14.44 H new ATOM 0 HD21 LEU A 51 4.060 1.056 -1.499 1.00 51.02 H new ATOM 0 HD22 LEU A 51 5.685 1.751 -1.291 1.00 51.02 H new ATOM 0 HD23 LEU A 51 5.177 0.366 -0.297 1.00 51.02 H new ATOM 831 N GLU A 52 5.526 5.497 2.061 1.00 44.52 N ATOM 832 CA GLU A 52 5.323 6.936 1.857 1.00 21.34 C ATOM 833 C GLU A 52 5.918 7.413 0.526 1.00 35.25 C ATOM 834 O GLU A 52 6.800 6.768 -0.039 1.00 41.11 O ATOM 835 CB GLU A 52 5.949 7.735 3.014 1.00 35.34 C ATOM 836 CG GLU A 52 7.464 7.562 3.167 1.00 14.01 C ATOM 837 CD GLU A 52 7.866 6.176 3.655 1.00 1.34 C ATOM 838 OE1 GLU A 52 7.658 5.884 4.855 1.00 1.11 O ATOM 839 OE2 GLU A 52 8.386 5.374 2.846 1.00 53.35 O ATOM 0 H GLU A 52 6.478 5.180 1.878 1.00 44.52 H new ATOM 0 HA GLU A 52 4.247 7.110 1.830 1.00 21.34 H new ATOM 0 HB2 GLU A 52 5.731 8.793 2.866 1.00 35.34 H new ATOM 0 HB3 GLU A 52 5.467 7.437 3.945 1.00 35.34 H new ATOM 0 HG2 GLU A 52 7.943 7.755 2.207 1.00 14.01 H new ATOM 0 HG3 GLU A 52 7.839 8.309 3.867 1.00 14.01 H new ATOM 846 N PHE A 53 5.418 8.544 0.029 1.00 62.23 N ATOM 847 CA PHE A 53 5.989 9.198 -1.155 1.00 33.34 C ATOM 848 C PHE A 53 5.994 10.724 -0.986 1.00 10.11 C ATOM 849 O PHE A 53 5.144 11.284 -0.291 1.00 1.25 O ATOM 850 CB PHE A 53 5.222 8.797 -2.423 1.00 11.14 C ATOM 851 CG PHE A 53 3.766 9.191 -2.429 1.00 52.24 C ATOM 852 CD1 PHE A 53 2.807 8.364 -1.862 1.00 2.25 C ATOM 853 CD2 PHE A 53 3.358 10.382 -3.014 1.00 61.12 C ATOM 854 CE1 PHE A 53 1.472 8.719 -1.876 1.00 4.11 C ATOM 855 CE2 PHE A 53 2.026 10.741 -3.031 1.00 34.11 C ATOM 856 CZ PHE A 53 1.083 9.909 -2.461 1.00 44.11 C ATOM 0 H PHE A 53 4.615 9.031 0.428 1.00 62.23 H new ATOM 0 HA PHE A 53 7.021 8.863 -1.261 1.00 33.34 H new ATOM 0 HB2 PHE A 53 5.711 9.250 -3.286 1.00 11.14 H new ATOM 0 HB3 PHE A 53 5.293 7.716 -2.548 1.00 11.14 H new ATOM 0 HD1 PHE A 53 3.107 7.433 -1.405 1.00 2.25 H new ATOM 0 HD2 PHE A 53 4.092 11.036 -3.461 1.00 61.12 H new ATOM 0 HE1 PHE A 53 0.734 8.068 -1.431 1.00 4.11 H new ATOM 0 HE2 PHE A 53 1.722 11.671 -3.489 1.00 34.11 H new ATOM 0 HZ PHE A 53 0.040 10.189 -2.472 1.00 44.11 H new ATOM 866 N THR A 54 6.947 11.396 -1.628 1.00 72.42 N ATOM 867 CA THR A 54 7.115 12.848 -1.470 1.00 35.30 C ATOM 868 C THR A 54 6.693 13.626 -2.725 1.00 43.53 C ATOM 869 O THR A 54 6.964 13.210 -3.853 1.00 2.31 O ATOM 870 CB THR A 54 8.579 13.220 -1.124 1.00 41.15 C ATOM 871 OG1 THR A 54 9.475 12.745 -2.146 1.00 50.31 O ATOM 872 CG2 THR A 54 8.993 12.632 0.226 1.00 35.13 C ATOM 0 H THR A 54 7.617 10.963 -2.264 1.00 72.42 H new ATOM 0 HA THR A 54 6.461 13.131 -0.645 1.00 35.30 H new ATOM 0 HB THR A 54 8.638 14.307 -1.066 1.00 41.15 H new ATOM 0 HG1 THR A 54 10.395 12.989 -1.914 1.00 50.31 H new ATOM 0 HG21 THR A 54 10.025 12.909 0.443 1.00 35.13 H new ATOM 0 HG22 THR A 54 8.341 13.021 1.008 1.00 35.13 H new ATOM 0 HG23 THR A 54 8.909 11.546 0.191 1.00 35.13 H new ATOM 880 N ALA A 55 6.039 14.763 -2.509 1.00 15.12 N ATOM 881 CA ALA A 55 5.589 15.640 -3.594 1.00 4.43 C ATOM 882 C ALA A 55 6.067 17.084 -3.365 1.00 3.13 C ATOM 883 O ALA A 55 6.525 17.432 -2.274 1.00 23.20 O ATOM 884 CB ALA A 55 4.069 15.593 -3.709 1.00 64.43 C ATOM 0 H ALA A 55 5.804 15.106 -1.578 1.00 15.12 H new ATOM 0 HA ALA A 55 6.024 15.284 -4.528 1.00 4.43 H new ATOM 0 HB1 ALA A 55 3.745 16.248 -4.518 1.00 64.43 H new ATOM 0 HB2 ALA A 55 3.751 14.572 -3.920 1.00 64.43 H new ATOM 0 HB3 ALA A 55 3.623 15.926 -2.772 1.00 64.43 H new ATOM 890 N GLN A 56 5.955 17.928 -4.389 1.00 62.35 N ATOM 891 CA GLN A 56 6.408 19.322 -4.288 1.00 63.31 C ATOM 892 C GLN A 56 5.318 20.213 -3.680 1.00 20.03 C ATOM 893 O GLN A 56 5.575 21.005 -2.772 1.00 75.25 O ATOM 894 CB GLN A 56 6.804 19.859 -5.669 1.00 21.15 C ATOM 895 CG GLN A 56 7.404 21.262 -5.631 1.00 53.04 C ATOM 896 CD GLN A 56 7.759 21.791 -7.006 1.00 61.24 C ATOM 897 OE1 GLN A 56 8.065 21.030 -7.919 1.00 72.13 O ATOM 898 NE2 GLN A 56 7.729 23.098 -7.166 1.00 50.01 N ATOM 0 H GLN A 56 5.558 17.677 -5.294 1.00 62.35 H new ATOM 0 HA GLN A 56 7.279 19.342 -3.633 1.00 63.31 H new ATOM 0 HB2 GLN A 56 7.524 19.177 -6.122 1.00 21.15 H new ATOM 0 HB3 GLN A 56 5.924 19.867 -6.312 1.00 21.15 H new ATOM 0 HG2 GLN A 56 6.695 21.942 -5.158 1.00 53.04 H new ATOM 0 HG3 GLN A 56 8.299 21.252 -5.009 1.00 53.04 H new ATOM 0 HE21 GLN A 56 7.470 23.702 -6.386 1.00 50.01 H new ATOM 0 HE22 GLN A 56 7.965 23.507 -8.070 1.00 50.01 H new ATOM 907 N LYS A 57 4.102 20.080 -4.196 1.00 54.14 N ATOM 908 CA LYS A 57 2.958 20.854 -3.711 1.00 64.32 C ATOM 909 C LYS A 57 1.794 19.927 -3.336 1.00 53.43 C ATOM 910 O LYS A 57 1.769 18.756 -3.728 1.00 53.02 O ATOM 911 CB LYS A 57 2.517 21.868 -4.776 1.00 61.30 C ATOM 912 CG LYS A 57 3.611 22.868 -5.156 1.00 14.14 C ATOM 913 CD LYS A 57 3.139 23.886 -6.192 1.00 74.33 C ATOM 914 CE LYS A 57 1.977 24.728 -5.679 1.00 63.22 C ATOM 915 NZ LYS A 57 1.681 25.870 -6.581 1.00 14.34 N ATOM 0 H LYS A 57 3.878 19.438 -4.957 1.00 54.14 H new ATOM 0 HA LYS A 57 3.261 21.396 -2.815 1.00 64.32 H new ATOM 0 HB2 LYS A 57 2.201 21.330 -5.670 1.00 61.30 H new ATOM 0 HB3 LYS A 57 1.648 22.414 -4.409 1.00 61.30 H new ATOM 0 HG2 LYS A 57 3.945 23.393 -4.261 1.00 14.14 H new ATOM 0 HG3 LYS A 57 4.472 22.328 -5.549 1.00 14.14 H new ATOM 0 HD2 LYS A 57 3.969 24.540 -6.462 1.00 74.33 H new ATOM 0 HD3 LYS A 57 2.836 23.365 -7.100 1.00 74.33 H new ATOM 0 HE2 LYS A 57 1.090 24.102 -5.582 1.00 63.22 H new ATOM 0 HE3 LYS A 57 2.212 25.103 -4.683 1.00 63.22 H new ATOM 0 HZ1 LYS A 57 0.885 26.418 -6.197 1.00 14.34 H new ATOM 0 HZ2 LYS A 57 2.519 26.481 -6.654 1.00 14.34 H new ATOM 0 HZ3 LYS A 57 1.431 25.511 -7.525 1.00 14.34 H new ATOM 929 N ASN A 58 0.836 20.458 -2.581 1.00 10.52 N ATOM 930 CA ASN A 58 -0.305 19.669 -2.099 1.00 72.32 C ATOM 931 C ASN A 58 -1.149 19.143 -3.280 1.00 11.10 C ATOM 932 O ASN A 58 -1.686 19.928 -4.070 1.00 44.24 O ATOM 933 CB ASN A 58 -1.179 20.525 -1.165 1.00 62.41 C ATOM 934 CG ASN A 58 -1.911 19.706 -0.114 1.00 55.10 C ATOM 935 OD1 ASN A 58 -2.128 18.509 -0.266 1.00 31.35 O ATOM 936 ND2 ASN A 58 -2.299 20.348 0.970 1.00 33.04 N ATOM 0 H ASN A 58 0.823 21.434 -2.286 1.00 10.52 H new ATOM 0 HA ASN A 58 0.079 18.812 -1.545 1.00 72.32 H new ATOM 0 HB2 ASN A 58 -0.552 21.265 -0.668 1.00 62.41 H new ATOM 0 HB3 ASN A 58 -1.908 21.074 -1.761 1.00 62.41 H new ATOM 0 HD21 ASN A 58 -2.793 19.848 1.709 1.00 33.04 H new ATOM 0 HD22 ASN A 58 -2.105 21.344 1.070 1.00 33.04 H new ATOM 943 N LEU A 59 -1.255 17.819 -3.405 1.00 74.03 N ATOM 944 CA LEU A 59 -2.006 17.205 -4.511 1.00 71.11 C ATOM 945 C LEU A 59 -3.490 16.979 -4.153 1.00 25.12 C ATOM 946 O LEU A 59 -3.969 17.426 -3.112 1.00 55.43 O ATOM 947 CB LEU A 59 -1.323 15.895 -4.966 1.00 0.15 C ATOM 948 CG LEU A 59 -0.978 14.874 -3.859 1.00 51.12 C ATOM 949 CD1 LEU A 59 -2.225 14.164 -3.333 1.00 23.04 C ATOM 950 CD2 LEU A 59 0.047 13.859 -4.364 1.00 51.51 C ATOM 0 H LEU A 59 -0.834 17.151 -2.760 1.00 74.03 H new ATOM 0 HA LEU A 59 -1.995 17.904 -5.347 1.00 71.11 H new ATOM 0 HB2 LEU A 59 -1.974 15.405 -5.690 1.00 0.15 H new ATOM 0 HB3 LEU A 59 -0.403 16.155 -5.489 1.00 0.15 H new ATOM 0 HG LEU A 59 -0.542 15.428 -3.027 1.00 51.12 H new ATOM 0 HD11 LEU A 59 -1.939 13.455 -2.556 1.00 23.04 H new ATOM 0 HD12 LEU A 59 -2.914 14.899 -2.917 1.00 23.04 H new ATOM 0 HD13 LEU A 59 -2.712 13.631 -4.150 1.00 23.04 H new ATOM 0 HD21 LEU A 59 0.277 13.148 -3.570 1.00 51.51 H new ATOM 0 HD22 LEU A 59 -0.362 13.325 -5.222 1.00 51.51 H new ATOM 0 HD23 LEU A 59 0.958 14.379 -4.661 1.00 51.51 H new ATOM 962 N ARG A 60 -4.213 16.285 -5.030 1.00 24.11 N ATOM 963 CA ARG A 60 -5.663 16.113 -4.875 1.00 63.42 C ATOM 964 C ARG A 60 -6.013 14.917 -3.969 1.00 2.40 C ATOM 965 O ARG A 60 -5.792 13.761 -4.329 1.00 12.51 O ATOM 966 CB ARG A 60 -6.304 15.952 -6.262 1.00 1.22 C ATOM 967 CG ARG A 60 -6.017 17.130 -7.189 1.00 42.50 C ATOM 968 CD ARG A 60 -6.578 16.920 -8.591 1.00 70.41 C ATOM 969 NE ARG A 60 -6.282 18.054 -9.463 1.00 12.41 N ATOM 970 CZ ARG A 60 -6.485 18.065 -10.751 1.00 40.12 C ATOM 971 NH1 ARG A 60 -6.955 17.023 -11.359 1.00 64.12 N ATOM 972 NH2 ARG A 60 -6.199 19.121 -11.438 1.00 53.01 N ATOM 0 H ARG A 60 -3.822 15.832 -5.856 1.00 24.11 H new ATOM 0 HA ARG A 60 -6.062 17.002 -4.386 1.00 63.42 H new ATOM 0 HB2 ARG A 60 -5.936 15.035 -6.723 1.00 1.22 H new ATOM 0 HB3 ARG A 60 -7.382 15.840 -6.148 1.00 1.22 H new ATOM 0 HG2 ARG A 60 -6.445 18.037 -6.762 1.00 42.50 H new ATOM 0 HG3 ARG A 60 -4.940 17.285 -7.252 1.00 42.50 H new ATOM 0 HD2 ARG A 60 -6.157 16.011 -9.020 1.00 70.41 H new ATOM 0 HD3 ARG A 60 -7.657 16.776 -8.534 1.00 70.41 H new ATOM 0 HE ARG A 60 -5.890 18.893 -9.036 1.00 12.41 H new ATOM 0 HH11 ARG A 60 -7.172 16.178 -10.830 1.00 64.12 H new ATOM 0 HH12 ARG A 60 -7.108 17.047 -12.367 1.00 64.12 H new ATOM 0 HH21 ARG A 60 -5.815 19.944 -10.973 1.00 53.01 H new ATOM 0 HH22 ARG A 60 -6.357 19.132 -12.446 1.00 53.01 H new ATOM 986 N LYS A 61 -6.563 15.210 -2.790 1.00 1.22 N ATOM 987 CA LYS A 61 -6.945 14.168 -1.828 1.00 12.22 C ATOM 988 C LYS A 61 -8.254 13.458 -2.230 1.00 42.32 C ATOM 989 O LYS A 61 -9.021 13.954 -3.061 1.00 23.02 O ATOM 990 CB LYS A 61 -7.074 14.758 -0.416 1.00 20.35 C ATOM 991 CG LYS A 61 -8.164 15.821 -0.278 1.00 44.12 C ATOM 992 CD LYS A 61 -8.265 16.351 1.153 1.00 40.43 C ATOM 993 CE LYS A 61 -8.548 15.237 2.156 1.00 34.32 C ATOM 994 NZ LYS A 61 -8.675 15.755 3.544 1.00 55.41 N ATOM 0 H LYS A 61 -6.755 16.161 -2.475 1.00 1.22 H new ATOM 0 HA LYS A 61 -6.151 13.421 -1.832 1.00 12.22 H new ATOM 0 HB2 LYS A 61 -7.279 13.950 0.286 1.00 20.35 H new ATOM 0 HB3 LYS A 61 -6.118 15.195 -0.128 1.00 20.35 H new ATOM 0 HG2 LYS A 61 -7.954 16.647 -0.957 1.00 44.12 H new ATOM 0 HG3 LYS A 61 -9.123 15.399 -0.577 1.00 44.12 H new ATOM 0 HD2 LYS A 61 -7.335 16.852 1.421 1.00 40.43 H new ATOM 0 HD3 LYS A 61 -9.057 17.098 1.208 1.00 40.43 H new ATOM 0 HE2 LYS A 61 -9.467 14.722 1.876 1.00 34.32 H new ATOM 0 HE3 LYS A 61 -7.745 14.501 2.116 1.00 34.32 H new ATOM 0 HZ1 LYS A 61 -9.172 15.055 4.132 1.00 55.41 H new ATOM 0 HZ2 LYS A 61 -7.728 15.928 3.938 1.00 55.41 H new ATOM 0 HZ3 LYS A 61 -9.214 16.644 3.535 1.00 55.41 H new ATOM 1008 N GLU A 62 -8.486 12.286 -1.631 1.00 32.22 N ATOM 1009 CA GLU A 62 -9.633 11.417 -1.961 1.00 23.32 C ATOM 1010 C GLU A 62 -9.549 10.896 -3.414 1.00 72.54 C ATOM 1011 O GLU A 62 -10.475 10.265 -3.932 1.00 51.12 O ATOM 1012 CB GLU A 62 -10.972 12.137 -1.699 1.00 1.31 C ATOM 1013 CG GLU A 62 -12.188 11.216 -1.784 1.00 61.21 C ATOM 1014 CD GLU A 62 -13.468 11.870 -1.292 1.00 42.23 C ATOM 1015 OE1 GLU A 62 -14.117 12.589 -2.082 1.00 71.43 O ATOM 1016 OE2 GLU A 62 -13.833 11.660 -0.115 1.00 43.52 O ATOM 0 H GLU A 62 -7.884 11.907 -0.900 1.00 32.22 H new ATOM 0 HA GLU A 62 -9.589 10.550 -1.301 1.00 23.32 H new ATOM 0 HB2 GLU A 62 -10.942 12.595 -0.710 1.00 1.31 H new ATOM 0 HB3 GLU A 62 -11.088 12.945 -2.421 1.00 1.31 H new ATOM 0 HG2 GLU A 62 -12.324 10.898 -2.818 1.00 61.21 H new ATOM 0 HG3 GLU A 62 -11.997 10.318 -1.197 1.00 61.21 H new ATOM 1023 N ALA A 63 -8.420 11.158 -4.063 1.00 71.00 N ATOM 1024 CA ALA A 63 -8.125 10.593 -5.375 1.00 53.22 C ATOM 1025 C ALA A 63 -7.210 9.375 -5.225 1.00 34.42 C ATOM 1026 O ALA A 63 -6.431 9.291 -4.271 1.00 34.02 O ATOM 1027 CB ALA A 63 -7.470 11.643 -6.265 1.00 35.24 C ATOM 0 H ALA A 63 -7.687 11.765 -3.697 1.00 71.00 H new ATOM 0 HA ALA A 63 -9.057 10.276 -5.842 1.00 53.22 H new ATOM 0 HB1 ALA A 63 -7.255 11.209 -7.241 1.00 35.24 H new ATOM 0 HB2 ALA A 63 -8.145 12.490 -6.385 1.00 35.24 H new ATOM 0 HB3 ALA A 63 -6.541 11.981 -5.806 1.00 35.24 H new ATOM 1033 N PHE A 64 -7.308 8.425 -6.145 1.00 41.32 N ATOM 1034 CA PHE A 64 -6.421 7.264 -6.124 1.00 65.30 C ATOM 1035 C PHE A 64 -5.081 7.604 -6.779 1.00 51.33 C ATOM 1036 O PHE A 64 -4.987 8.526 -7.589 1.00 74.03 O ATOM 1037 CB PHE A 64 -7.078 6.055 -6.805 1.00 32.44 C ATOM 1038 CG PHE A 64 -8.098 5.366 -5.931 1.00 1.03 C ATOM 1039 CD1 PHE A 64 -9.351 5.923 -5.729 1.00 64.35 C ATOM 1040 CD2 PHE A 64 -7.796 4.163 -5.305 1.00 71.01 C ATOM 1041 CE1 PHE A 64 -10.285 5.296 -4.923 1.00 62.44 C ATOM 1042 CE2 PHE A 64 -8.725 3.532 -4.499 1.00 53.54 C ATOM 1043 CZ PHE A 64 -9.971 4.099 -4.308 1.00 4.30 C ATOM 0 H PHE A 64 -7.984 8.432 -6.909 1.00 41.32 H new ATOM 0 HA PHE A 64 -6.234 6.995 -5.084 1.00 65.30 H new ATOM 0 HB2 PHE A 64 -7.559 6.382 -7.727 1.00 32.44 H new ATOM 0 HB3 PHE A 64 -6.305 5.339 -7.085 1.00 32.44 H new ATOM 0 HD1 PHE A 64 -9.602 6.859 -6.207 1.00 64.35 H new ATOM 0 HD2 PHE A 64 -6.824 3.716 -5.450 1.00 71.01 H new ATOM 0 HE1 PHE A 64 -11.258 5.741 -4.775 1.00 62.44 H new ATOM 0 HE2 PHE A 64 -8.477 2.597 -4.019 1.00 53.54 H new ATOM 0 HZ PHE A 64 -10.698 3.607 -3.679 1.00 4.30 H new ATOM 1053 N LEU A 65 -4.045 6.865 -6.427 1.00 32.11 N ATOM 1054 CA LEU A 65 -2.702 7.199 -6.879 1.00 12.11 C ATOM 1055 C LEU A 65 -1.865 5.933 -7.120 1.00 34.14 C ATOM 1056 O LEU A 65 -1.755 5.063 -6.254 1.00 22.33 O ATOM 1057 CB LEU A 65 -2.038 8.126 -5.844 1.00 4.12 C ATOM 1058 CG LEU A 65 -1.074 9.178 -6.416 1.00 10.13 C ATOM 1059 CD1 LEU A 65 -0.774 10.248 -5.374 1.00 1.42 C ATOM 1060 CD2 LEU A 65 0.214 8.528 -6.899 1.00 62.30 C ATOM 0 H LEU A 65 -4.103 6.036 -5.835 1.00 32.11 H new ATOM 0 HA LEU A 65 -2.764 7.721 -7.834 1.00 12.11 H new ATOM 0 HB2 LEU A 65 -2.822 8.641 -5.289 1.00 4.12 H new ATOM 0 HB3 LEU A 65 -1.493 7.510 -5.129 1.00 4.12 H new ATOM 0 HG LEU A 65 -1.556 9.652 -7.271 1.00 10.13 H new ATOM 0 HD11 LEU A 65 -0.090 10.985 -5.795 1.00 1.42 H new ATOM 0 HD12 LEU A 65 -1.701 10.740 -5.080 1.00 1.42 H new ATOM 0 HD13 LEU A 65 -0.316 9.786 -4.500 1.00 1.42 H new ATOM 0 HD21 LEU A 65 0.880 9.293 -7.299 1.00 62.30 H new ATOM 0 HD22 LEU A 65 0.702 8.023 -6.065 1.00 62.30 H new ATOM 0 HD23 LEU A 65 -0.015 7.802 -7.679 1.00 62.30 H new ATOM 1072 N ARG A 66 -1.295 5.845 -8.318 1.00 51.34 N ATOM 1073 CA ARG A 66 -0.452 4.717 -8.718 1.00 10.40 C ATOM 1074 C ARG A 66 0.979 4.886 -8.178 1.00 2.41 C ATOM 1075 O ARG A 66 1.817 5.533 -8.811 1.00 10.31 O ATOM 1076 CB ARG A 66 -0.430 4.628 -10.256 1.00 71.41 C ATOM 1077 CG ARG A 66 0.299 3.412 -10.822 1.00 61.05 C ATOM 1078 CD ARG A 66 0.411 3.493 -12.343 1.00 54.55 C ATOM 1079 NE ARG A 66 0.922 2.255 -12.929 1.00 34.23 N ATOM 1080 CZ ARG A 66 1.459 2.167 -14.119 1.00 4.23 C ATOM 1081 NH1 ARG A 66 1.685 3.226 -14.826 1.00 73.41 N ATOM 1082 NH2 ARG A 66 1.811 1.016 -14.584 1.00 0.33 N ATOM 0 H ARG A 66 -1.403 6.555 -9.043 1.00 51.34 H new ATOM 0 HA ARG A 66 -0.863 3.798 -8.300 1.00 10.40 H new ATOM 0 HB2 ARG A 66 -1.458 4.618 -10.619 1.00 71.41 H new ATOM 0 HB3 ARG A 66 0.039 5.530 -10.650 1.00 71.41 H new ATOM 0 HG2 ARG A 66 1.295 3.346 -10.385 1.00 61.05 H new ATOM 0 HG3 ARG A 66 -0.233 2.503 -10.542 1.00 61.05 H new ATOM 0 HD2 ARG A 66 -0.569 3.715 -12.766 1.00 54.55 H new ATOM 0 HD3 ARG A 66 1.069 4.319 -12.613 1.00 54.55 H new ATOM 0 HE ARG A 66 0.855 1.403 -12.373 1.00 34.23 H new ATOM 0 HH11 ARG A 66 1.444 4.146 -14.458 1.00 73.41 H new ATOM 0 HH12 ARG A 66 2.104 3.141 -15.752 1.00 73.41 H new ATOM 0 HH21 ARG A 66 1.671 0.175 -14.024 1.00 0.33 H new ATOM 0 HH22 ARG A 66 2.230 0.947 -15.512 1.00 0.33 H new ATOM 1096 N VAL A 67 1.247 4.328 -6.995 1.00 32.31 N ATOM 1097 CA VAL A 67 2.573 4.444 -6.366 1.00 72.54 C ATOM 1098 C VAL A 67 3.476 3.248 -6.689 1.00 62.14 C ATOM 1099 O VAL A 67 3.049 2.093 -6.678 1.00 41.35 O ATOM 1100 CB VAL A 67 2.472 4.629 -4.829 1.00 62.24 C ATOM 1101 CG1 VAL A 67 1.710 5.909 -4.493 1.00 12.55 C ATOM 1102 CG2 VAL A 67 1.816 3.418 -4.168 1.00 4.23 C ATOM 0 H VAL A 67 0.569 3.793 -6.452 1.00 32.31 H new ATOM 0 HA VAL A 67 3.028 5.338 -6.792 1.00 72.54 H new ATOM 0 HB VAL A 67 3.484 4.715 -4.433 1.00 62.24 H new ATOM 0 HG11 VAL A 67 1.649 6.023 -3.411 1.00 12.55 H new ATOM 0 HG12 VAL A 67 2.232 6.766 -4.919 1.00 12.55 H new ATOM 0 HG13 VAL A 67 0.704 5.854 -4.909 1.00 12.55 H new ATOM 0 HG21 VAL A 67 1.759 3.577 -3.091 1.00 4.23 H new ATOM 0 HG22 VAL A 67 0.811 3.285 -4.568 1.00 4.23 H new ATOM 0 HG23 VAL A 67 2.409 2.526 -4.372 1.00 4.23 H new ATOM 1112 N TYR A 68 4.733 3.559 -6.970 1.00 13.14 N ATOM 1113 CA TYR A 68 5.725 2.582 -7.415 1.00 51.12 C ATOM 1114 C TYR A 68 6.516 1.977 -6.237 1.00 51.11 C ATOM 1115 O TYR A 68 7.034 2.697 -5.380 1.00 63.00 O ATOM 1116 CB TYR A 68 6.657 3.298 -8.399 1.00 63.03 C ATOM 1117 CG TYR A 68 7.880 2.527 -8.821 1.00 45.11 C ATOM 1118 CD1 TYR A 68 7.793 1.498 -9.743 1.00 42.14 C ATOM 1119 CD2 TYR A 68 9.126 2.855 -8.310 1.00 65.42 C ATOM 1120 CE1 TYR A 68 8.920 0.807 -10.142 1.00 22.31 C ATOM 1121 CE2 TYR A 68 10.258 2.177 -8.705 1.00 64.14 C ATOM 1122 CZ TYR A 68 10.152 1.153 -9.621 1.00 51.44 C ATOM 1123 OH TYR A 68 11.281 0.479 -10.021 1.00 45.13 O ATOM 0 H TYR A 68 5.101 4.508 -6.896 1.00 13.14 H new ATOM 0 HA TYR A 68 5.225 1.742 -7.897 1.00 51.12 H new ATOM 0 HB2 TYR A 68 6.086 3.553 -9.291 1.00 63.03 H new ATOM 0 HB3 TYR A 68 6.980 4.236 -7.948 1.00 63.03 H new ATOM 0 HD1 TYR A 68 6.831 1.232 -10.156 1.00 42.14 H new ATOM 0 HD2 TYR A 68 9.211 3.656 -7.590 1.00 65.42 H new ATOM 0 HE1 TYR A 68 8.839 0.001 -10.857 1.00 22.31 H new ATOM 0 HE2 TYR A 68 11.222 2.446 -8.300 1.00 64.14 H new ATOM 0 HH TYR A 68 12.063 0.848 -9.560 1.00 45.13 H new ATOM 1133 N HIS A 69 6.611 0.646 -6.206 1.00 64.02 N ATOM 1134 CA HIS A 69 7.322 -0.061 -5.132 1.00 5.00 C ATOM 1135 C HIS A 69 8.849 0.058 -5.289 1.00 11.00 C ATOM 1136 O HIS A 69 9.452 -0.602 -6.136 1.00 72.43 O ATOM 1137 CB HIS A 69 6.909 -1.542 -5.109 1.00 32.14 C ATOM 1138 CG HIS A 69 7.453 -2.312 -3.937 1.00 12.03 C ATOM 1139 ND1 HIS A 69 7.962 -3.589 -4.037 1.00 71.02 N ATOM 1140 CD2 HIS A 69 7.550 -1.979 -2.627 1.00 63.11 C ATOM 1141 CE1 HIS A 69 8.350 -4.004 -2.848 1.00 25.02 C ATOM 1142 NE2 HIS A 69 8.114 -3.048 -1.976 1.00 25.33 N ATOM 0 H HIS A 69 6.205 0.033 -6.913 1.00 64.02 H new ATOM 0 HA HIS A 69 7.046 0.407 -4.187 1.00 5.00 H new ATOM 0 HB2 HIS A 69 5.821 -1.605 -5.098 1.00 32.14 H new ATOM 0 HB3 HIS A 69 7.246 -2.017 -6.030 1.00 32.14 H new ATOM 0 HD2 HIS A 69 7.241 -1.046 -2.179 1.00 63.11 H new ATOM 0 HE1 HIS A 69 8.788 -4.966 -2.627 1.00 25.02 H new ATOM 0 HE2 HIS A 69 8.317 -3.094 -0.977 1.00 25.33 H new ATOM 1151 N SER A 70 9.465 0.910 -4.471 1.00 54.53 N ATOM 1152 CA SER A 70 10.927 1.082 -4.472 1.00 70.40 C ATOM 1153 C SER A 70 11.588 0.321 -3.313 1.00 71.31 C ATOM 1154 O SER A 70 10.996 0.163 -2.241 1.00 23.21 O ATOM 1155 CB SER A 70 11.287 2.573 -4.383 1.00 4.33 C ATOM 1156 OG SER A 70 10.815 3.286 -5.519 1.00 45.24 O ATOM 0 H SER A 70 8.977 1.497 -3.794 1.00 54.53 H new ATOM 0 HA SER A 70 11.305 0.670 -5.408 1.00 70.40 H new ATOM 0 HB2 SER A 70 10.856 3.000 -3.478 1.00 4.33 H new ATOM 0 HB3 SER A 70 12.368 2.684 -4.304 1.00 4.33 H new ATOM 0 HG SER A 70 10.629 2.656 -6.246 1.00 45.24 H new ATOM 1162 N ASP A 71 12.821 -0.129 -3.535 1.00 12.41 N ATOM 1163 CA ASP A 71 13.587 -0.889 -2.535 1.00 62.25 C ATOM 1164 C ASP A 71 13.852 -0.056 -1.265 1.00 2.04 C ATOM 1165 O ASP A 71 13.743 -0.554 -0.142 1.00 51.04 O ATOM 1166 CB ASP A 71 14.912 -1.351 -3.165 1.00 75.11 C ATOM 1167 CG ASP A 71 15.837 -2.047 -2.181 1.00 52.44 C ATOM 1168 OD1 ASP A 71 15.645 -3.255 -1.920 1.00 52.54 O ATOM 1169 OD2 ASP A 71 16.772 -1.393 -1.671 1.00 12.33 O ATOM 0 H ASP A 71 13.322 0.020 -4.411 1.00 12.41 H new ATOM 0 HA ASP A 71 13.000 -1.756 -2.231 1.00 62.25 H new ATOM 0 HB2 ASP A 71 14.696 -2.029 -3.991 1.00 75.11 H new ATOM 0 HB3 ASP A 71 15.426 -0.487 -3.587 1.00 75.11 H new ATOM 1174 N LYS A 72 14.195 1.214 -1.453 1.00 74.32 N ATOM 1175 CA LYS A 72 14.460 2.125 -0.329 1.00 32.00 C ATOM 1176 C LYS A 72 13.162 2.722 0.239 1.00 33.43 C ATOM 1177 O LYS A 72 13.198 3.480 1.210 1.00 14.22 O ATOM 1178 CB LYS A 72 15.368 3.277 -0.786 1.00 72.02 C ATOM 1179 CG LYS A 72 16.654 2.836 -1.477 1.00 4.31 C ATOM 1180 CD LYS A 72 17.432 4.035 -2.011 1.00 4.21 C ATOM 1181 CE LYS A 72 18.648 3.618 -2.827 1.00 51.12 C ATOM 1182 NZ LYS A 72 19.336 4.791 -3.427 1.00 34.33 N ATOM 0 H LYS A 72 14.298 1.643 -2.373 1.00 74.32 H new ATOM 0 HA LYS A 72 14.948 1.541 0.451 1.00 32.00 H new ATOM 0 HB2 LYS A 72 14.806 3.917 -1.467 1.00 72.02 H new ATOM 0 HB3 LYS A 72 15.627 3.884 0.081 1.00 72.02 H new ATOM 0 HG2 LYS A 72 17.275 2.280 -0.775 1.00 4.31 H new ATOM 0 HG3 LYS A 72 16.416 2.159 -2.297 1.00 4.31 H new ATOM 0 HD2 LYS A 72 16.774 4.646 -2.629 1.00 4.21 H new ATOM 0 HD3 LYS A 72 17.754 4.658 -1.176 1.00 4.21 H new ATOM 0 HE2 LYS A 72 19.345 3.074 -2.189 1.00 51.12 H new ATOM 0 HE3 LYS A 72 18.339 2.934 -3.617 1.00 51.12 H new ATOM 0 HZ1 LYS A 72 20.159 4.468 -3.975 1.00 34.33 H new ATOM 0 HZ2 LYS A 72 18.678 5.296 -4.055 1.00 34.33 H new ATOM 0 HZ3 LYS A 72 19.653 5.431 -2.671 1.00 34.33 H new ATOM 1196 N LYS A 73 12.020 2.345 -0.347 1.00 73.10 N ATOM 1197 CA LYS A 73 10.738 3.021 -0.096 1.00 42.12 C ATOM 1198 C LYS A 73 10.803 4.479 -0.586 1.00 24.42 C ATOM 1199 O LYS A 73 11.655 4.820 -1.410 1.00 11.33 O ATOM 1200 CB LYS A 73 10.325 2.948 1.392 1.00 54.14 C ATOM 1201 CG LYS A 73 9.937 1.544 1.868 1.00 63.35 C ATOM 1202 CD LYS A 73 11.146 0.629 2.089 1.00 5.21 C ATOM 1203 CE LYS A 73 11.835 0.884 3.434 1.00 62.05 C ATOM 1204 NZ LYS A 73 12.294 2.293 3.598 1.00 35.12 N ATOM 0 H LYS A 73 11.956 1.568 -1.005 1.00 73.10 H new ATOM 0 HA LYS A 73 9.967 2.496 -0.660 1.00 42.12 H new ATOM 0 HB2 LYS A 73 11.150 3.312 2.005 1.00 54.14 H new ATOM 0 HB3 LYS A 73 9.484 3.621 1.557 1.00 54.14 H new ATOM 0 HG2 LYS A 73 9.375 1.625 2.798 1.00 63.35 H new ATOM 0 HG3 LYS A 73 9.273 1.088 1.133 1.00 63.35 H new ATOM 0 HD2 LYS A 73 10.824 -0.411 2.040 1.00 5.21 H new ATOM 0 HD3 LYS A 73 11.864 0.779 1.282 1.00 5.21 H new ATOM 0 HE2 LYS A 73 11.146 0.636 4.241 1.00 62.05 H new ATOM 0 HE3 LYS A 73 12.691 0.216 3.529 1.00 62.05 H new ATOM 0 HZ1 LYS A 73 13.014 2.339 4.347 1.00 35.12 H new ATOM 0 HZ2 LYS A 73 12.703 2.631 2.704 1.00 35.12 H new ATOM 0 HZ3 LYS A 73 11.486 2.894 3.858 1.00 35.12 H new ATOM 1218 N GLY A 74 9.894 5.335 -0.119 1.00 1.20 N ATOM 1219 CA GLY A 74 9.863 6.721 -0.592 1.00 31.24 C ATOM 1220 C GLY A 74 9.226 6.880 -1.977 1.00 61.24 C ATOM 1221 O GLY A 74 8.849 7.987 -2.364 1.00 42.31 O ATOM 0 H GLY A 74 9.182 5.101 0.573 1.00 1.20 H new ATOM 0 HA2 GLY A 74 9.311 7.329 0.125 1.00 31.24 H new ATOM 0 HA3 GLY A 74 10.881 7.109 -0.622 1.00 31.24 H new ATOM 1225 N VAL A 75 9.122 5.770 -2.720 1.00 13.54 N ATOM 1226 CA VAL A 75 8.460 5.736 -4.034 1.00 63.22 C ATOM 1227 C VAL A 75 9.182 6.607 -5.084 1.00 34.25 C ATOM 1228 O VAL A 75 9.064 7.834 -5.094 1.00 74.04 O ATOM 1229 CB VAL A 75 6.969 6.151 -3.923 1.00 52.31 C ATOM 1230 CG1 VAL A 75 6.298 6.194 -5.293 1.00 71.44 C ATOM 1231 CG2 VAL A 75 6.220 5.203 -2.985 1.00 1.30 C ATOM 0 H VAL A 75 9.495 4.867 -2.427 1.00 13.54 H new ATOM 0 HA VAL A 75 8.512 4.703 -4.377 1.00 63.22 H new ATOM 0 HB VAL A 75 6.932 7.157 -3.506 1.00 52.31 H new ATOM 0 HG11 VAL A 75 5.255 6.488 -5.178 1.00 71.44 H new ATOM 0 HG12 VAL A 75 6.811 6.917 -5.927 1.00 71.44 H new ATOM 0 HG13 VAL A 75 6.348 5.207 -5.754 1.00 71.44 H new ATOM 0 HG21 VAL A 75 5.176 5.508 -2.918 1.00 1.30 H new ATOM 0 HG22 VAL A 75 6.277 4.186 -3.374 1.00 1.30 H new ATOM 0 HG23 VAL A 75 6.673 5.239 -1.994 1.00 1.30 H new ATOM 1241 N SER A 76 9.922 5.953 -5.980 1.00 73.10 N ATOM 1242 CA SER A 76 10.706 6.650 -7.017 1.00 34.42 C ATOM 1243 C SER A 76 9.827 7.208 -8.152 1.00 70.34 C ATOM 1244 O SER A 76 10.296 7.990 -8.982 1.00 42.54 O ATOM 1245 CB SER A 76 11.761 5.698 -7.600 1.00 54.34 C ATOM 1246 OG SER A 76 12.572 6.338 -8.574 1.00 22.04 O ATOM 0 H SER A 76 9.999 4.936 -6.014 1.00 73.10 H new ATOM 0 HA SER A 76 11.190 7.500 -6.536 1.00 34.42 H new ATOM 0 HB2 SER A 76 12.391 5.318 -6.796 1.00 54.34 H new ATOM 0 HB3 SER A 76 11.265 4.838 -8.049 1.00 54.34 H new ATOM 0 HG SER A 76 12.090 7.104 -8.949 1.00 22.04 H new ATOM 1252 N ALA A 77 8.555 6.806 -8.188 1.00 4.33 N ATOM 1253 CA ALA A 77 7.623 7.267 -9.228 1.00 13.20 C ATOM 1254 C ALA A 77 6.160 7.104 -8.788 1.00 22.42 C ATOM 1255 O ALA A 77 5.782 6.077 -8.228 1.00 72.52 O ATOM 1256 CB ALA A 77 7.866 6.500 -10.524 1.00 31.22 C ATOM 0 H ALA A 77 8.144 6.163 -7.511 1.00 4.33 H new ATOM 0 HA ALA A 77 7.806 8.329 -9.394 1.00 13.20 H new ATOM 0 HB1 ALA A 77 7.171 6.848 -11.288 1.00 31.22 H new ATOM 0 HB2 ALA A 77 8.889 6.668 -10.860 1.00 31.22 H new ATOM 0 HB3 ALA A 77 7.711 5.435 -10.351 1.00 31.22 H new ATOM 1262 N TRP A 78 5.339 8.118 -9.041 1.00 35.44 N ATOM 1263 CA TRP A 78 3.919 8.064 -8.677 1.00 61.13 C ATOM 1264 C TRP A 78 3.046 8.852 -9.667 1.00 21.10 C ATOM 1265 O TRP A 78 3.402 9.952 -10.090 1.00 53.11 O ATOM 1266 CB TRP A 78 3.711 8.579 -7.239 1.00 2.12 C ATOM 1267 CG TRP A 78 4.280 9.948 -6.968 1.00 64.12 C ATOM 1268 CD1 TRP A 78 5.543 10.237 -6.536 1.00 22.34 C ATOM 1269 CD2 TRP A 78 3.605 11.208 -7.099 1.00 10.22 C ATOM 1270 NE1 TRP A 78 5.694 11.594 -6.393 1.00 53.52 N ATOM 1271 CE2 TRP A 78 4.521 12.211 -6.733 1.00 0.44 C ATOM 1272 CE3 TRP A 78 2.316 11.587 -7.495 1.00 60.31 C ATOM 1273 CZ2 TRP A 78 4.191 13.565 -6.746 1.00 73.13 C ATOM 1274 CZ3 TRP A 78 1.990 12.932 -7.509 1.00 72.31 C ATOM 1275 CH2 TRP A 78 2.924 13.905 -7.136 1.00 71.21 C ATOM 0 H TRP A 78 5.626 8.985 -9.494 1.00 35.44 H new ATOM 0 HA TRP A 78 3.606 7.021 -8.725 1.00 61.13 H new ATOM 0 HB2 TRP A 78 2.642 8.597 -7.026 1.00 2.12 H new ATOM 0 HB3 TRP A 78 4.163 7.870 -6.545 1.00 2.12 H new ATOM 0 HD1 TRP A 78 6.311 9.505 -6.336 1.00 22.34 H new ATOM 0 HE1 TRP A 78 6.543 12.066 -6.083 1.00 53.52 H new ATOM 0 HE3 TRP A 78 1.589 10.843 -7.784 1.00 60.31 H new ATOM 0 HZ2 TRP A 78 4.909 14.319 -6.459 1.00 73.13 H new ATOM 0 HZ3 TRP A 78 0.999 13.235 -7.813 1.00 72.31 H new ATOM 0 HH2 TRP A 78 2.639 14.946 -7.156 1.00 71.21 H new ATOM 1286 N GLU A 79 1.901 8.274 -10.038 1.00 64.32 N ATOM 1287 CA GLU A 79 0.960 8.917 -10.973 1.00 72.43 C ATOM 1288 C GLU A 79 -0.433 9.058 -10.350 1.00 32.21 C ATOM 1289 O GLU A 79 -0.936 8.134 -9.721 1.00 14.52 O ATOM 1290 CB GLU A 79 0.829 8.104 -12.264 1.00 2.53 C ATOM 1291 CG GLU A 79 2.144 7.826 -12.977 1.00 10.54 C ATOM 1292 CD GLU A 79 1.957 6.923 -14.183 1.00 25.03 C ATOM 1293 OE1 GLU A 79 1.412 7.392 -15.205 1.00 63.14 O ATOM 1294 OE2 GLU A 79 2.329 5.737 -14.111 1.00 62.21 O ATOM 0 H GLU A 79 1.598 7.358 -9.706 1.00 64.32 H new ATOM 0 HA GLU A 79 1.362 9.905 -11.196 1.00 72.43 H new ATOM 0 HB2 GLU A 79 0.350 7.153 -12.031 1.00 2.53 H new ATOM 0 HB3 GLU A 79 0.167 8.636 -12.947 1.00 2.53 H new ATOM 0 HG2 GLU A 79 2.590 8.768 -13.295 1.00 10.54 H new ATOM 0 HG3 GLU A 79 2.843 7.362 -12.281 1.00 10.54 H new ATOM 1301 N GLU A 80 -1.063 10.200 -10.565 1.00 33.12 N ATOM 1302 CA GLU A 80 -2.394 10.469 -10.007 1.00 72.30 C ATOM 1303 C GLU A 80 -3.495 9.874 -10.913 1.00 44.43 C ATOM 1304 O GLU A 80 -3.501 10.103 -12.126 1.00 21.24 O ATOM 1305 CB GLU A 80 -2.584 11.985 -9.843 1.00 52.35 C ATOM 1306 CG GLU A 80 -3.795 12.377 -9.003 1.00 22.43 C ATOM 1307 CD GLU A 80 -3.993 13.887 -8.932 1.00 61.10 C ATOM 1308 OE1 GLU A 80 -3.434 14.529 -8.014 1.00 52.51 O ATOM 1309 OE2 GLU A 80 -4.686 14.441 -9.811 1.00 43.25 O ATOM 0 H GLU A 80 -0.680 10.963 -11.123 1.00 33.12 H new ATOM 0 HA GLU A 80 -2.474 9.993 -9.029 1.00 72.30 H new ATOM 0 HB2 GLU A 80 -1.688 12.405 -9.386 1.00 52.35 H new ATOM 0 HB3 GLU A 80 -2.679 12.437 -10.830 1.00 52.35 H new ATOM 0 HG2 GLU A 80 -4.689 11.916 -9.423 1.00 22.43 H new ATOM 0 HG3 GLU A 80 -3.677 11.982 -7.994 1.00 22.43 H new ATOM 1316 N VAL A 81 -4.416 9.099 -10.331 1.00 32.53 N ATOM 1317 CA VAL A 81 -5.473 8.438 -11.114 1.00 10.42 C ATOM 1318 C VAL A 81 -6.878 8.686 -10.525 1.00 5.21 C ATOM 1319 O VAL A 81 -7.059 8.795 -9.311 1.00 23.20 O ATOM 1320 CB VAL A 81 -5.230 6.903 -11.241 1.00 34.22 C ATOM 1321 CG1 VAL A 81 -3.881 6.607 -11.901 1.00 62.51 C ATOM 1322 CG2 VAL A 81 -5.320 6.213 -9.885 1.00 51.54 C ATOM 0 H VAL A 81 -4.454 8.913 -9.329 1.00 32.53 H new ATOM 0 HA VAL A 81 -5.430 8.885 -12.107 1.00 10.42 H new ATOM 0 HB VAL A 81 -6.018 6.503 -11.879 1.00 34.22 H new ATOM 0 HG11 VAL A 81 -3.741 5.529 -11.975 1.00 62.51 H new ATOM 0 HG12 VAL A 81 -3.860 7.045 -12.899 1.00 62.51 H new ATOM 0 HG13 VAL A 81 -3.080 7.036 -11.300 1.00 62.51 H new ATOM 0 HG21 VAL A 81 -5.146 5.144 -10.008 1.00 51.54 H new ATOM 0 HG22 VAL A 81 -4.567 6.628 -9.215 1.00 51.54 H new ATOM 0 HG23 VAL A 81 -6.311 6.372 -9.461 1.00 51.54 H new ATOM 1332 N LYS A 82 -7.871 8.781 -11.404 1.00 73.50 N ATOM 1333 CA LYS A 82 -9.268 8.983 -10.992 1.00 4.34 C ATOM 1334 C LYS A 82 -9.923 7.647 -10.611 1.00 53.31 C ATOM 1335 O LYS A 82 -9.384 6.583 -10.906 1.00 71.13 O ATOM 1336 CB LYS A 82 -10.062 9.624 -12.142 1.00 54.21 C ATOM 1337 CG LYS A 82 -9.470 10.937 -12.650 1.00 23.15 C ATOM 1338 CD LYS A 82 -10.234 11.484 -13.857 1.00 24.54 C ATOM 1339 CE LYS A 82 -10.230 10.505 -15.025 1.00 61.43 C ATOM 1340 NZ LYS A 82 -10.887 11.071 -16.233 1.00 5.31 N ATOM 0 H LYS A 82 -7.739 8.722 -12.414 1.00 73.50 H new ATOM 0 HA LYS A 82 -9.276 9.641 -10.123 1.00 4.34 H new ATOM 0 HB2 LYS A 82 -10.116 8.917 -12.970 1.00 54.21 H new ATOM 0 HB3 LYS A 82 -11.084 9.803 -11.808 1.00 54.21 H new ATOM 0 HG2 LYS A 82 -9.484 11.675 -11.848 1.00 23.15 H new ATOM 0 HG3 LYS A 82 -8.426 10.782 -12.922 1.00 23.15 H new ATOM 0 HD2 LYS A 82 -11.263 11.700 -13.568 1.00 24.54 H new ATOM 0 HD3 LYS A 82 -9.787 12.427 -14.172 1.00 24.54 H new ATOM 0 HE2 LYS A 82 -9.202 10.233 -15.266 1.00 61.43 H new ATOM 0 HE3 LYS A 82 -10.741 9.589 -14.731 1.00 61.43 H new ATOM 0 HZ1 LYS A 82 -10.861 10.371 -17.002 1.00 5.31 H new ATOM 0 HZ2 LYS A 82 -11.876 11.307 -16.012 1.00 5.31 H new ATOM 0 HZ3 LYS A 82 -10.384 11.931 -16.531 1.00 5.31 H new ATOM 1354 N LYS A 83 -11.095 7.698 -9.975 1.00 3.14 N ATOM 1355 CA LYS A 83 -11.872 6.477 -9.720 1.00 24.43 C ATOM 1356 C LYS A 83 -12.334 5.860 -11.052 1.00 23.11 C ATOM 1357 O LYS A 83 -12.426 4.641 -11.196 1.00 45.35 O ATOM 1358 CB LYS A 83 -13.084 6.762 -8.809 1.00 44.31 C ATOM 1359 CG LYS A 83 -12.752 6.811 -7.312 1.00 61.12 C ATOM 1360 CD LYS A 83 -12.001 8.079 -6.902 1.00 24.11 C ATOM 1361 CE LYS A 83 -12.910 9.304 -6.878 1.00 32.54 C ATOM 1362 NZ LYS A 83 -12.214 10.497 -6.325 1.00 62.35 N ATOM 0 H LYS A 83 -11.525 8.557 -9.630 1.00 3.14 H new ATOM 0 HA LYS A 83 -11.228 5.767 -9.202 1.00 24.43 H new ATOM 0 HB2 LYS A 83 -13.528 7.713 -9.102 1.00 44.31 H new ATOM 0 HB3 LYS A 83 -13.838 5.993 -8.977 1.00 44.31 H new ATOM 0 HG2 LYS A 83 -13.677 6.743 -6.739 1.00 61.12 H new ATOM 0 HG3 LYS A 83 -12.151 5.940 -7.051 1.00 61.12 H new ATOM 0 HD2 LYS A 83 -11.561 7.936 -5.915 1.00 24.11 H new ATOM 0 HD3 LYS A 83 -11.178 8.252 -7.596 1.00 24.11 H new ATOM 0 HE2 LYS A 83 -13.255 9.521 -7.889 1.00 32.54 H new ATOM 0 HE3 LYS A 83 -13.795 9.089 -6.279 1.00 32.54 H new ATOM 0 HZ1 LYS A 83 -12.917 11.215 -6.056 1.00 62.35 H new ATOM 0 HZ2 LYS A 83 -11.663 10.220 -5.487 1.00 62.35 H new ATOM 0 HZ3 LYS A 83 -11.575 10.891 -7.045 1.00 62.35 H new ATOM 1376 N ASP A 84 -12.605 6.725 -12.024 1.00 43.32 N ATOM 1377 CA ASP A 84 -12.947 6.310 -13.389 1.00 13.15 C ATOM 1378 C ASP A 84 -11.793 5.527 -14.056 1.00 31.51 C ATOM 1379 O ASP A 84 -12.005 4.760 -14.994 1.00 13.12 O ATOM 1380 CB ASP A 84 -13.296 7.561 -14.208 1.00 31.11 C ATOM 1381 CG ASP A 84 -13.686 7.252 -15.643 1.00 73.51 C ATOM 1382 OD1 ASP A 84 -14.749 6.638 -15.857 1.00 13.13 O ATOM 1383 OD2 ASP A 84 -12.941 7.645 -16.564 1.00 45.22 O ATOM 0 H ASP A 84 -12.595 7.736 -11.892 1.00 43.32 H new ATOM 0 HA ASP A 84 -13.804 5.637 -13.350 1.00 13.15 H new ATOM 0 HB2 ASP A 84 -14.117 8.088 -13.721 1.00 31.11 H new ATOM 0 HB3 ASP A 84 -12.440 8.236 -14.209 1.00 31.11 H new ATOM 1388 N GLU A 85 -10.574 5.715 -13.550 1.00 1.33 N ATOM 1389 CA GLU A 85 -9.384 5.046 -14.096 1.00 22.23 C ATOM 1390 C GLU A 85 -9.183 3.645 -13.489 1.00 5.34 C ATOM 1391 O GLU A 85 -8.230 2.937 -13.834 1.00 44.10 O ATOM 1392 CB GLU A 85 -8.136 5.899 -13.822 1.00 12.13 C ATOM 1393 CG GLU A 85 -8.146 7.268 -14.498 1.00 64.12 C ATOM 1394 CD GLU A 85 -8.025 7.180 -16.011 1.00 65.41 C ATOM 1395 OE1 GLU A 85 -6.920 6.865 -16.501 1.00 25.52 O ATOM 1396 OE2 GLU A 85 -9.022 7.433 -16.717 1.00 51.41 O ATOM 0 H GLU A 85 -10.380 6.328 -12.758 1.00 1.33 H new ATOM 0 HA GLU A 85 -9.536 4.932 -15.169 1.00 22.23 H new ATOM 0 HB2 GLU A 85 -8.036 6.040 -12.746 1.00 12.13 H new ATOM 0 HB3 GLU A 85 -7.255 5.350 -14.155 1.00 12.13 H new ATOM 0 HG2 GLU A 85 -9.069 7.788 -14.242 1.00 64.12 H new ATOM 0 HG3 GLU A 85 -7.324 7.867 -14.107 1.00 64.12 H new ATOM 1403 N LEU A 86 -10.076 3.252 -12.582 1.00 32.31 N ATOM 1404 CA LEU A 86 -9.959 1.966 -11.882 1.00 55.11 C ATOM 1405 C LEU A 86 -10.825 0.872 -12.532 1.00 51.22 C ATOM 1406 O LEU A 86 -12.039 1.031 -12.681 1.00 11.41 O ATOM 1407 CB LEU A 86 -10.367 2.129 -10.411 1.00 63.02 C ATOM 1408 CG LEU A 86 -9.538 3.142 -9.603 1.00 32.24 C ATOM 1409 CD1 LEU A 86 -10.071 3.252 -8.176 1.00 25.45 C ATOM 1410 CD2 LEU A 86 -8.057 2.758 -9.599 1.00 1.14 C ATOM 0 H LEU A 86 -10.890 3.804 -12.312 1.00 32.31 H new ATOM 0 HA LEU A 86 -8.917 1.655 -11.950 1.00 55.11 H new ATOM 0 HB2 LEU A 86 -11.414 2.430 -10.374 1.00 63.02 H new ATOM 0 HB3 LEU A 86 -10.297 1.157 -9.923 1.00 63.02 H new ATOM 0 HG LEU A 86 -9.631 4.117 -10.082 1.00 32.24 H new ATOM 0 HD11 LEU A 86 -9.473 3.973 -7.619 1.00 25.45 H new ATOM 0 HD12 LEU A 86 -11.109 3.583 -8.200 1.00 25.45 H new ATOM 0 HD13 LEU A 86 -10.012 2.278 -7.690 1.00 25.45 H new ATOM 0 HD21 LEU A 86 -7.493 3.490 -9.021 1.00 1.14 H new ATOM 0 HD22 LEU A 86 -7.938 1.772 -9.150 1.00 1.14 H new ATOM 0 HD23 LEU A 86 -7.684 2.738 -10.623 1.00 1.14 H new ATOM 1422 N PRO A 87 -10.212 -0.258 -12.935 1.00 54.42 N ATOM 1423 CA PRO A 87 -10.960 -1.427 -13.416 1.00 13.20 C ATOM 1424 C PRO A 87 -11.517 -2.281 -12.259 1.00 33.10 C ATOM 1425 O PRO A 87 -10.986 -2.259 -11.143 1.00 14.53 O ATOM 1426 CB PRO A 87 -9.898 -2.206 -14.201 1.00 44.11 C ATOM 1427 CG PRO A 87 -8.615 -1.893 -13.502 1.00 0.45 C ATOM 1428 CD PRO A 87 -8.751 -0.479 -12.982 1.00 42.43 C ATOM 0 HA PRO A 87 -11.835 -1.150 -14.005 1.00 13.20 H new ATOM 0 HB2 PRO A 87 -10.104 -3.276 -14.193 1.00 44.11 H new ATOM 0 HB3 PRO A 87 -9.868 -1.895 -15.245 1.00 44.11 H new ATOM 0 HG2 PRO A 87 -8.436 -2.592 -12.685 1.00 0.45 H new ATOM 0 HG3 PRO A 87 -7.769 -1.977 -14.185 1.00 0.45 H new ATOM 0 HD2 PRO A 87 -8.298 -0.370 -11.996 1.00 42.43 H new ATOM 0 HD3 PRO A 87 -8.259 0.238 -13.640 1.00 42.43 H new ATOM 1436 N ALA A 88 -12.576 -3.047 -12.529 1.00 15.02 N ATOM 1437 CA ALA A 88 -13.179 -3.926 -11.513 1.00 30.02 C ATOM 1438 C ALA A 88 -12.146 -4.897 -10.914 1.00 32.42 C ATOM 1439 O ALA A 88 -12.305 -5.379 -9.789 1.00 42.23 O ATOM 1440 CB ALA A 88 -14.350 -4.703 -12.113 1.00 3.42 C ATOM 0 H ALA A 88 -13.036 -3.080 -13.439 1.00 15.02 H new ATOM 0 HA ALA A 88 -13.546 -3.293 -10.704 1.00 30.02 H new ATOM 0 HB1 ALA A 88 -14.787 -5.349 -11.351 1.00 3.42 H new ATOM 0 HB2 ALA A 88 -15.105 -4.004 -12.472 1.00 3.42 H new ATOM 0 HB3 ALA A 88 -13.995 -5.312 -12.945 1.00 3.42 H new ATOM 1446 N LYS A 89 -11.076 -5.156 -11.671 1.00 2.31 N ATOM 1447 CA LYS A 89 -9.999 -6.060 -11.243 1.00 11.11 C ATOM 1448 C LYS A 89 -9.392 -5.655 -9.886 1.00 74.32 C ATOM 1449 O LYS A 89 -8.835 -6.493 -9.176 1.00 52.32 O ATOM 1450 CB LYS A 89 -8.907 -6.126 -12.318 1.00 33.13 C ATOM 1451 CG LYS A 89 -9.394 -6.727 -13.633 1.00 51.21 C ATOM 1452 CD LYS A 89 -8.289 -6.794 -14.682 1.00 42.32 C ATOM 1453 CE LYS A 89 -8.767 -7.501 -15.943 1.00 53.31 C ATOM 1454 NZ LYS A 89 -7.699 -7.585 -16.969 1.00 2.13 N ATOM 0 H LYS A 89 -10.930 -4.748 -12.594 1.00 2.31 H new ATOM 0 HA LYS A 89 -10.441 -7.048 -11.111 1.00 11.11 H new ATOM 0 HB2 LYS A 89 -8.528 -5.121 -12.504 1.00 33.13 H new ATOM 0 HB3 LYS A 89 -8.072 -6.718 -11.943 1.00 33.13 H new ATOM 0 HG2 LYS A 89 -9.780 -7.730 -13.451 1.00 51.21 H new ATOM 0 HG3 LYS A 89 -10.222 -6.131 -14.018 1.00 51.21 H new ATOM 0 HD2 LYS A 89 -7.959 -5.785 -14.931 1.00 42.32 H new ATOM 0 HD3 LYS A 89 -7.427 -7.320 -14.272 1.00 42.32 H new ATOM 0 HE2 LYS A 89 -9.107 -8.505 -15.690 1.00 53.31 H new ATOM 0 HE3 LYS A 89 -9.625 -6.969 -16.355 1.00 53.31 H new ATOM 0 HZ1 LYS A 89 -8.065 -8.073 -17.812 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 -7.392 -6.626 -17.230 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 -6.890 -8.115 -16.586 1.00 2.13 H new ATOM 1468 N VAL A 90 -9.501 -4.375 -9.530 1.00 40.43 N ATOM 1469 CA VAL A 90 -9.049 -3.899 -8.216 1.00 41.11 C ATOM 1470 C VAL A 90 -9.962 -4.437 -7.099 1.00 62.22 C ATOM 1471 O VAL A 90 -9.496 -4.891 -6.052 1.00 20.02 O ATOM 1472 CB VAL A 90 -9.021 -2.350 -8.155 1.00 4.23 C ATOM 1473 CG1 VAL A 90 -8.522 -1.864 -6.793 1.00 11.22 C ATOM 1474 CG2 VAL A 90 -8.159 -1.784 -9.284 1.00 43.21 C ATOM 0 H VAL A 90 -9.896 -3.649 -10.128 1.00 40.43 H new ATOM 0 HA VAL A 90 -8.036 -4.273 -8.067 1.00 41.11 H new ATOM 0 HB VAL A 90 -10.040 -1.986 -8.287 1.00 4.23 H new ATOM 0 HG11 VAL A 90 -8.512 -0.774 -6.777 1.00 11.22 H new ATOM 0 HG12 VAL A 90 -9.185 -2.232 -6.010 1.00 11.22 H new ATOM 0 HG13 VAL A 90 -7.513 -2.239 -6.620 1.00 11.22 H new ATOM 0 HG21 VAL A 90 -8.151 -0.696 -9.225 1.00 43.21 H new ATOM 0 HG22 VAL A 90 -7.140 -2.160 -9.188 1.00 43.21 H new ATOM 0 HG23 VAL A 90 -8.570 -2.092 -10.245 1.00 43.21 H new ATOM 1484 N LYS A 91 -11.270 -4.406 -7.345 1.00 70.14 N ATOM 1485 CA LYS A 91 -12.256 -4.858 -6.357 1.00 45.34 C ATOM 1486 C LYS A 91 -12.381 -6.392 -6.337 1.00 51.35 C ATOM 1487 O LYS A 91 -12.920 -6.962 -5.389 1.00 21.43 O ATOM 1488 CB LYS A 91 -13.620 -4.203 -6.624 1.00 33.32 C ATOM 1489 CG LYS A 91 -13.585 -2.675 -6.525 1.00 63.45 C ATOM 1490 CD LYS A 91 -14.979 -2.054 -6.602 1.00 13.54 C ATOM 1491 CE LYS A 91 -14.929 -0.530 -6.494 1.00 41.03 C ATOM 1492 NZ LYS A 91 -16.288 0.070 -6.435 1.00 34.41 N ATOM 0 H LYS A 91 -11.675 -4.073 -8.220 1.00 70.14 H new ATOM 0 HA LYS A 91 -11.906 -4.548 -5.372 1.00 45.34 H new ATOM 0 HB2 LYS A 91 -13.965 -4.488 -7.618 1.00 33.32 H new ATOM 0 HB3 LYS A 91 -14.348 -4.590 -5.911 1.00 33.32 H new ATOM 0 HG2 LYS A 91 -13.113 -2.385 -5.586 1.00 63.45 H new ATOM 0 HG3 LYS A 91 -12.967 -2.276 -7.329 1.00 63.45 H new ATOM 0 HD2 LYS A 91 -15.451 -2.336 -7.543 1.00 13.54 H new ATOM 0 HD3 LYS A 91 -15.600 -2.455 -5.801 1.00 13.54 H new ATOM 0 HE2 LYS A 91 -14.369 -0.248 -5.602 1.00 41.03 H new ATOM 0 HE3 LYS A 91 -14.390 -0.124 -7.350 1.00 41.03 H new ATOM 0 HZ1 LYS A 91 -16.208 1.104 -6.362 1.00 34.41 H new ATOM 0 HZ2 LYS A 91 -16.814 -0.177 -7.297 1.00 34.41 H new ATOM 0 HZ3 LYS A 91 -16.794 -0.297 -5.604 1.00 34.41 H new ATOM 1506 N GLU A 92 -11.878 -7.054 -7.384 1.00 50.30 N ATOM 1507 CA GLU A 92 -11.771 -8.525 -7.392 1.00 72.45 C ATOM 1508 C GLU A 92 -10.869 -9.018 -6.250 1.00 35.21 C ATOM 1509 O GLU A 92 -10.884 -10.196 -5.894 1.00 10.41 O ATOM 1510 CB GLU A 92 -11.184 -9.030 -8.716 1.00 71.14 C ATOM 1511 CG GLU A 92 -12.016 -8.733 -9.954 1.00 25.21 C ATOM 1512 CD GLU A 92 -11.389 -9.316 -11.217 1.00 12.21 C ATOM 1513 OE1 GLU A 92 -10.139 -9.424 -11.275 1.00 5.30 O ATOM 1514 OE2 GLU A 92 -12.138 -9.669 -12.152 1.00 44.10 O ATOM 0 H GLU A 92 -11.539 -6.603 -8.234 1.00 50.30 H new ATOM 0 HA GLU A 92 -12.780 -8.916 -7.263 1.00 72.45 H new ATOM 0 HB2 GLU A 92 -10.196 -8.588 -8.848 1.00 71.14 H new ATOM 0 HB3 GLU A 92 -11.043 -10.108 -8.644 1.00 71.14 H new ATOM 0 HG2 GLU A 92 -13.018 -9.142 -9.824 1.00 25.21 H new ATOM 0 HG3 GLU A 92 -12.125 -7.654 -10.068 1.00 25.21 H new ATOM 1521 N LYS A 93 -10.033 -8.114 -5.740 1.00 15.34 N ATOM 1522 CA LYS A 93 -9.121 -8.417 -4.632 1.00 40.12 C ATOM 1523 C LYS A 93 -9.564 -7.689 -3.353 1.00 61.34 C ATOM 1524 O LYS A 93 -9.601 -8.274 -2.268 1.00 42.02 O ATOM 1525 CB LYS A 93 -7.675 -8.018 -5.004 1.00 23.34 C ATOM 1526 CG LYS A 93 -7.006 -8.930 -6.040 1.00 31.12 C ATOM 1527 CD LYS A 93 -7.763 -8.970 -7.369 1.00 11.21 C ATOM 1528 CE LYS A 93 -7.148 -9.952 -8.361 1.00 35.04 C ATOM 1529 NZ LYS A 93 -8.093 -10.284 -9.464 1.00 4.10 N ATOM 0 H LYS A 93 -9.967 -7.155 -6.080 1.00 15.34 H new ATOM 0 HA LYS A 93 -9.150 -9.490 -4.444 1.00 40.12 H new ATOM 0 HB2 LYS A 93 -7.681 -6.998 -5.388 1.00 23.34 H new ATOM 0 HB3 LYS A 93 -7.069 -8.014 -4.098 1.00 23.34 H new ATOM 0 HG2 LYS A 93 -5.987 -8.585 -6.217 1.00 31.12 H new ATOM 0 HG3 LYS A 93 -6.935 -9.940 -5.637 1.00 31.12 H new ATOM 0 HD2 LYS A 93 -8.801 -9.247 -7.184 1.00 11.21 H new ATOM 0 HD3 LYS A 93 -7.773 -7.973 -7.808 1.00 11.21 H new ATOM 0 HE2 LYS A 93 -6.236 -9.525 -8.779 1.00 35.04 H new ATOM 0 HE3 LYS A 93 -6.862 -10.865 -7.839 1.00 35.04 H new ATOM 0 HZ1 LYS A 93 -7.590 -10.814 -10.204 1.00 4.10 H new ATOM 0 HZ2 LYS A 93 -8.872 -10.863 -9.091 1.00 4.10 H new ATOM 0 HZ3 LYS A 93 -8.477 -9.406 -9.868 1.00 4.10 H new ATOM 1543 N LEU A 94 -9.898 -6.404 -3.487 1.00 32.04 N ATOM 1544 CA LEU A 94 -10.392 -5.606 -2.358 1.00 42.15 C ATOM 1545 C LEU A 94 -11.932 -5.557 -2.340 1.00 2.35 C ATOM 1546 O LEU A 94 -12.544 -4.679 -2.953 1.00 43.21 O ATOM 1547 CB LEU A 94 -9.827 -4.172 -2.404 1.00 73.02 C ATOM 1548 CG LEU A 94 -8.313 -4.029 -2.138 1.00 5.11 C ATOM 1549 CD1 LEU A 94 -7.484 -4.624 -3.274 1.00 21.55 C ATOM 1550 CD2 LEU A 94 -7.947 -2.562 -1.920 1.00 63.42 C ATOM 0 H LEU A 94 -9.836 -5.891 -4.367 1.00 32.04 H new ATOM 0 HA LEU A 94 -10.048 -6.091 -1.445 1.00 42.15 H new ATOM 0 HB2 LEU A 94 -10.044 -3.749 -3.385 1.00 73.02 H new ATOM 0 HB3 LEU A 94 -10.363 -3.569 -1.671 1.00 73.02 H new ATOM 0 HG LEU A 94 -8.081 -4.589 -1.232 1.00 5.11 H new ATOM 0 HD11 LEU A 94 -6.424 -4.505 -3.052 1.00 21.55 H new ATOM 0 HD12 LEU A 94 -7.716 -5.684 -3.377 1.00 21.55 H new ATOM 0 HD13 LEU A 94 -7.720 -4.108 -4.205 1.00 21.55 H new ATOM 0 HD21 LEU A 94 -6.876 -2.478 -1.734 1.00 63.42 H new ATOM 0 HD22 LEU A 94 -8.207 -1.986 -2.808 1.00 63.42 H new ATOM 0 HD23 LEU A 94 -8.496 -2.174 -1.062 1.00 63.42 H new ATOM 1562 N GLY A 95 -12.553 -6.506 -1.639 1.00 1.25 N ATOM 1563 CA GLY A 95 -14.013 -6.544 -1.544 1.00 1.44 C ATOM 1564 C GLY A 95 -14.616 -7.857 -2.033 1.00 74.15 C ATOM 1565 O GLY A 95 -15.497 -8.430 -1.386 1.00 33.23 O ATOM 0 H GLY A 95 -12.074 -7.251 -1.133 1.00 1.25 H new ATOM 0 HA2 GLY A 95 -14.307 -6.381 -0.507 1.00 1.44 H new ATOM 0 HA3 GLY A 95 -14.429 -5.722 -2.126 1.00 1.44 H new ATOM 1569 N VAL A 96 -14.149 -8.328 -3.185 1.00 12.42 N ATOM 1570 CA VAL A 96 -14.633 -9.582 -3.780 1.00 42.24 C ATOM 1571 C VAL A 96 -13.517 -10.645 -3.802 1.00 42.21 C ATOM 1572 O VAL A 96 -12.339 -10.308 -3.804 1.00 1.22 O ATOM 1573 CB VAL A 96 -15.145 -9.337 -5.226 1.00 75.52 C ATOM 1574 CG1 VAL A 96 -15.800 -10.590 -5.807 1.00 62.11 C ATOM 1575 CG2 VAL A 96 -16.111 -8.151 -5.263 1.00 62.40 C ATOM 0 H VAL A 96 -13.429 -7.859 -3.734 1.00 12.42 H new ATOM 0 HA VAL A 96 -15.456 -9.947 -3.166 1.00 42.24 H new ATOM 0 HB VAL A 96 -14.282 -9.098 -5.848 1.00 75.52 H new ATOM 0 HG11 VAL A 96 -16.147 -10.383 -6.819 1.00 62.11 H new ATOM 0 HG12 VAL A 96 -15.074 -11.402 -5.831 1.00 62.11 H new ATOM 0 HG13 VAL A 96 -16.647 -10.879 -5.185 1.00 62.11 H new ATOM 0 HG21 VAL A 96 -16.458 -7.996 -6.285 1.00 62.40 H new ATOM 0 HG22 VAL A 96 -16.965 -8.357 -4.617 1.00 62.40 H new ATOM 0 HG23 VAL A 96 -15.600 -7.254 -4.914 1.00 62.40 H new ATOM 1585 N LYS A 97 -13.890 -11.927 -3.767 1.00 34.42 N ATOM 1586 CA LYS A 97 -12.910 -13.028 -3.881 1.00 21.21 C ATOM 1587 C LYS A 97 -13.236 -13.974 -5.049 1.00 62.14 C ATOM 1588 O LYS A 97 -12.476 -14.903 -5.326 1.00 41.41 O ATOM 1589 CB LYS A 97 -12.817 -13.840 -2.572 1.00 4.22 C ATOM 1590 CG LYS A 97 -12.068 -13.129 -1.445 1.00 31.14 C ATOM 1591 CD LYS A 97 -12.895 -12.019 -0.803 1.00 12.20 C ATOM 1592 CE LYS A 97 -12.047 -11.152 0.116 1.00 52.01 C ATOM 1593 NZ LYS A 97 -11.366 -11.953 1.168 1.00 74.43 N ATOM 0 H LYS A 97 -14.857 -12.235 -3.661 1.00 34.42 H new ATOM 0 HA LYS A 97 -11.946 -12.559 -4.077 1.00 21.21 H new ATOM 0 HB2 LYS A 97 -13.825 -14.075 -2.231 1.00 4.22 H new ATOM 0 HB3 LYS A 97 -12.322 -14.788 -2.780 1.00 4.22 H new ATOM 0 HG2 LYS A 97 -11.789 -13.857 -0.683 1.00 31.14 H new ATOM 0 HG3 LYS A 97 -11.143 -12.708 -1.837 1.00 31.14 H new ATOM 0 HD2 LYS A 97 -13.340 -11.399 -1.581 1.00 12.20 H new ATOM 0 HD3 LYS A 97 -13.716 -12.457 -0.236 1.00 12.20 H new ATOM 0 HE2 LYS A 97 -11.301 -10.620 -0.474 1.00 52.01 H new ATOM 0 HE3 LYS A 97 -12.678 -10.398 0.586 1.00 52.01 H new ATOM 0 HZ1 LYS A 97 -10.954 -11.315 1.878 1.00 74.43 H new ATOM 0 HZ2 LYS A 97 -12.056 -12.582 1.627 1.00 74.43 H new ATOM 0 HZ3 LYS A 97 -10.611 -12.523 0.736 1.00 74.43 H new ATOM 1607 N LEU A 98 -14.358 -13.720 -5.731 1.00 21.54 N ATOM 1608 CA LEU A 98 -14.809 -14.551 -6.863 1.00 53.41 C ATOM 1609 C LEU A 98 -15.008 -16.020 -6.436 1.00 2.44 C ATOM 1610 O LEU A 98 -14.046 -16.784 -6.310 1.00 3.02 O ATOM 1611 CB LEU A 98 -13.824 -14.464 -8.049 1.00 11.13 C ATOM 1612 CG LEU A 98 -13.698 -13.083 -8.730 1.00 4.12 C ATOM 1613 CD1 LEU A 98 -13.085 -12.049 -7.788 1.00 21.34 C ATOM 1614 CD2 LEU A 98 -12.874 -13.188 -10.013 1.00 42.24 C ATOM 0 H LEU A 98 -14.979 -12.939 -5.519 1.00 21.54 H new ATOM 0 HA LEU A 98 -15.772 -14.158 -7.189 1.00 53.41 H new ATOM 0 HB2 LEU A 98 -12.837 -14.764 -7.697 1.00 11.13 H new ATOM 0 HB3 LEU A 98 -14.129 -15.191 -8.802 1.00 11.13 H new ATOM 0 HG LEU A 98 -14.704 -12.749 -8.985 1.00 4.12 H new ATOM 0 HD11 LEU A 98 -13.011 -11.089 -8.300 1.00 21.34 H new ATOM 0 HD12 LEU A 98 -13.715 -11.942 -6.905 1.00 21.34 H new ATOM 0 HD13 LEU A 98 -12.090 -12.377 -7.486 1.00 21.34 H new ATOM 0 HD21 LEU A 98 -12.797 -12.205 -10.477 1.00 42.24 H new ATOM 0 HD22 LEU A 98 -11.876 -13.556 -9.775 1.00 42.24 H new ATOM 0 HD23 LEU A 98 -13.361 -13.878 -10.702 1.00 42.24 H new ATOM 1626 N GLU A 99 -16.262 -16.409 -6.213 1.00 25.15 N ATOM 1627 CA GLU A 99 -16.579 -17.745 -5.685 1.00 42.12 C ATOM 1628 C GLU A 99 -17.395 -18.586 -6.683 1.00 61.35 C ATOM 1629 O GLU A 99 -17.134 -19.778 -6.867 1.00 44.14 O ATOM 1630 CB GLU A 99 -17.345 -17.607 -4.357 1.00 22.52 C ATOM 1631 CG GLU A 99 -18.680 -16.878 -4.486 1.00 33.32 C ATOM 1632 CD GLU A 99 -19.319 -16.559 -3.145 1.00 30.40 C ATOM 1633 OE1 GLU A 99 -19.948 -17.457 -2.548 1.00 42.13 O ATOM 1634 OE2 GLU A 99 -19.195 -15.403 -2.681 1.00 34.54 O ATOM 0 H GLU A 99 -17.078 -15.822 -6.388 1.00 25.15 H new ATOM 0 HA GLU A 99 -15.638 -18.268 -5.517 1.00 42.12 H new ATOM 0 HB2 GLU A 99 -17.523 -18.601 -3.947 1.00 22.52 H new ATOM 0 HB3 GLU A 99 -16.719 -17.074 -3.641 1.00 22.52 H new ATOM 0 HG2 GLU A 99 -18.529 -15.951 -5.039 1.00 33.32 H new ATOM 0 HG3 GLU A 99 -19.366 -17.490 -5.072 1.00 33.32 H new ATOM 1641 N HIS A 100 -18.379 -17.963 -7.327 1.00 42.31 N ATOM 1642 CA HIS A 100 -19.270 -18.671 -8.255 1.00 71.31 C ATOM 1643 C HIS A 100 -18.768 -18.544 -9.703 1.00 21.50 C ATOM 1644 O HIS A 100 -18.545 -17.438 -10.198 1.00 35.21 O ATOM 1645 CB HIS A 100 -20.699 -18.116 -8.135 1.00 25.12 C ATOM 1646 CG HIS A 100 -21.756 -19.002 -8.729 1.00 3.24 C ATOM 1647 ND1 HIS A 100 -22.750 -19.593 -7.977 1.00 52.14 N ATOM 1648 CD2 HIS A 100 -21.983 -19.391 -10.011 1.00 71.45 C ATOM 1649 CE1 HIS A 100 -23.532 -20.307 -8.761 1.00 0.40 C ATOM 1650 NE2 HIS A 100 -23.091 -20.202 -9.995 1.00 20.01 N ATOM 0 H HIS A 100 -18.583 -16.969 -7.226 1.00 42.31 H new ATOM 0 HA HIS A 100 -19.274 -19.728 -7.990 1.00 71.31 H new ATOM 0 HB2 HIS A 100 -20.927 -17.954 -7.081 1.00 25.12 H new ATOM 0 HB3 HIS A 100 -20.741 -17.142 -8.623 1.00 25.12 H new ATOM 0 HD2 HIS A 100 -21.402 -19.115 -10.878 1.00 71.45 H new ATOM 0 HE1 HIS A 100 -24.390 -20.881 -8.444 1.00 0.40 H new ATOM 0 HE2 HIS A 100 -23.506 -20.652 -10.811 1.00 20.01 H new ATOM 1659 N HIS A 101 -18.603 -19.681 -10.376 1.00 61.11 N ATOM 1660 CA HIS A 101 -18.102 -19.705 -11.755 1.00 45.44 C ATOM 1661 C HIS A 101 -18.488 -21.003 -12.480 1.00 3.52 C ATOM 1662 O HIS A 101 -18.258 -22.098 -11.972 1.00 21.54 O ATOM 1663 CB HIS A 101 -16.573 -19.543 -11.762 1.00 70.42 C ATOM 1664 CG HIS A 101 -15.953 -19.669 -13.122 1.00 3.44 C ATOM 1665 ND1 HIS A 101 -15.175 -20.743 -13.502 1.00 32.24 N ATOM 1666 CD2 HIS A 101 -16.001 -18.848 -14.199 1.00 32.14 C ATOM 1667 CE1 HIS A 101 -14.776 -20.579 -14.746 1.00 34.12 C ATOM 1668 NE2 HIS A 101 -15.262 -19.440 -15.190 1.00 34.23 N ATOM 0 H HIS A 101 -18.809 -20.602 -9.990 1.00 61.11 H new ATOM 0 HA HIS A 101 -18.564 -18.874 -12.287 1.00 45.44 H new ATOM 0 HB2 HIS A 101 -16.319 -18.567 -11.347 1.00 70.42 H new ATOM 0 HB3 HIS A 101 -16.135 -20.293 -11.103 1.00 70.42 H new ATOM 0 HD2 HIS A 101 -16.523 -17.905 -14.264 1.00 32.14 H new ATOM 0 HE1 HIS A 101 -14.156 -21.263 -15.306 1.00 34.12 H new ATOM 0 HE2 HIS A 101 -15.113 -19.058 -16.124 1.00 34.23 H new ATOM 1677 N HIS A 102 -19.066 -20.874 -13.676 1.00 34.12 N ATOM 1678 CA HIS A 102 -19.388 -22.041 -14.505 1.00 31.20 C ATOM 1679 C HIS A 102 -18.625 -21.998 -15.837 1.00 33.43 C ATOM 1680 O HIS A 102 -17.927 -21.029 -16.137 1.00 51.32 O ATOM 1681 CB HIS A 102 -20.904 -22.137 -14.760 1.00 42.33 C ATOM 1682 CG HIS A 102 -21.465 -21.049 -15.629 1.00 50.44 C ATOM 1683 ND1 HIS A 102 -21.567 -21.160 -16.998 1.00 45.40 N ATOM 1684 CD2 HIS A 102 -21.987 -19.838 -15.316 1.00 30.21 C ATOM 1685 CE1 HIS A 102 -22.119 -20.070 -17.487 1.00 31.14 C ATOM 1686 NE2 HIS A 102 -22.388 -19.251 -16.491 1.00 0.21 N ATOM 0 H HIS A 102 -19.320 -19.978 -14.092 1.00 34.12 H new ATOM 0 HA HIS A 102 -19.075 -22.930 -13.958 1.00 31.20 H new ATOM 0 HB2 HIS A 102 -21.120 -23.100 -15.222 1.00 42.33 H new ATOM 0 HB3 HIS A 102 -21.422 -22.120 -13.801 1.00 42.33 H new ATOM 0 HD1 HIS A 102 -21.262 -21.963 -17.548 1.00 45.40 H new ATOM 0 HD2 HIS A 102 -22.072 -19.414 -14.327 1.00 30.21 H new ATOM 0 HE1 HIS A 102 -22.318 -19.879 -18.531 1.00 31.14 H new ATOM 1695 N HIS A 103 -18.765 -23.051 -16.634 1.00 11.30 N ATOM 1696 CA HIS A 103 -18.069 -23.150 -17.922 1.00 53.40 C ATOM 1697 C HIS A 103 -18.996 -22.780 -19.094 1.00 42.24 C ATOM 1698 O HIS A 103 -20.208 -22.634 -18.921 1.00 13.22 O ATOM 1699 CB HIS A 103 -17.532 -24.575 -18.112 1.00 42.50 C ATOM 1700 CG HIS A 103 -16.609 -25.017 -17.018 1.00 13.33 C ATOM 1701 ND1 HIS A 103 -15.266 -24.702 -16.987 1.00 23.02 N ATOM 1702 CD2 HIS A 103 -16.843 -25.744 -15.898 1.00 24.53 C ATOM 1703 CE1 HIS A 103 -14.719 -25.213 -15.905 1.00 24.20 C ATOM 1704 NE2 HIS A 103 -15.651 -25.849 -15.226 1.00 23.24 N ATOM 0 H HIS A 103 -19.355 -23.853 -16.414 1.00 11.30 H new ATOM 0 HA HIS A 103 -17.240 -22.442 -17.914 1.00 53.40 H new ATOM 0 HB2 HIS A 103 -18.372 -25.267 -18.169 1.00 42.50 H new ATOM 0 HB3 HIS A 103 -17.007 -24.633 -19.065 1.00 42.50 H new ATOM 0 HD2 HIS A 103 -17.790 -26.162 -15.592 1.00 24.53 H new ATOM 0 HE1 HIS A 103 -13.681 -25.126 -15.621 1.00 24.20 H new ATOM 0 HE2 HIS A 103 -15.510 -26.340 -14.343 1.00 23.24 H new ATOM 1713 N HIS A 104 -18.417 -22.621 -20.285 1.00 2.52 N ATOM 1714 CA HIS A 104 -19.200 -22.358 -21.499 1.00 33.45 C ATOM 1715 C HIS A 104 -19.683 -23.668 -22.131 1.00 24.24 C ATOM 1716 O HIS A 104 -18.882 -24.480 -22.596 1.00 1.52 O ATOM 1717 CB HIS A 104 -18.377 -21.559 -22.518 1.00 44.23 C ATOM 1718 CG HIS A 104 -18.174 -20.129 -22.135 1.00 62.03 C ATOM 1719 ND1 HIS A 104 -16.938 -19.579 -21.879 1.00 61.45 N ATOM 1720 CD2 HIS A 104 -19.067 -19.125 -21.973 1.00 23.41 C ATOM 1721 CE1 HIS A 104 -17.079 -18.304 -21.580 1.00 25.15 C ATOM 1722 NE2 HIS A 104 -18.359 -18.002 -21.628 1.00 3.31 N ATOM 0 H HIS A 104 -17.410 -22.669 -20.438 1.00 2.52 H new ATOM 0 HA HIS A 104 -20.069 -21.767 -21.211 1.00 33.45 H new ATOM 0 HB2 HIS A 104 -17.404 -22.035 -22.640 1.00 44.23 H new ATOM 0 HB3 HIS A 104 -18.875 -21.600 -23.487 1.00 44.23 H new ATOM 0 HD2 HIS A 104 -20.138 -19.195 -22.093 1.00 23.41 H new ATOM 0 HE1 HIS A 104 -16.279 -17.621 -21.336 1.00 25.15 H new ATOM 0 HE2 HIS A 104 -18.759 -17.083 -21.439 1.00 3.31 H new ATOM 1731 N HIS A 105 -20.994 -23.870 -22.136 1.00 41.52 N ATOM 1732 CA HIS A 105 -21.588 -25.087 -22.699 1.00 34.02 C ATOM 1733 C HIS A 105 -22.391 -24.778 -23.977 1.00 64.54 C ATOM 1734 O HIS A 105 -21.828 -24.917 -25.086 1.00 36.68 O ATOM 1735 CB HIS A 105 -22.479 -25.760 -21.646 1.00 2.43 C ATOM 1736 CG HIS A 105 -23.066 -27.063 -22.099 1.00 1.23 C ATOM 1737 ND1 HIS A 105 -24.256 -27.158 -22.790 1.00 40.52 N ATOM 1738 CD2 HIS A 105 -22.616 -28.333 -21.961 1.00 23.33 C ATOM 1739 CE1 HIS A 105 -24.513 -28.422 -23.049 1.00 62.23 C ATOM 1740 NE2 HIS A 105 -23.536 -29.154 -22.562 1.00 2.13 N ATOM 1741 OXT HIS A 105 -23.578 -24.397 -23.868 1.00 36.68 O ATOM 0 H HIS A 105 -21.672 -23.209 -21.757 1.00 41.52 H new ATOM 0 HA HIS A 105 -20.785 -25.770 -22.976 1.00 34.02 H new ATOM 0 HB2 HIS A 105 -21.894 -25.930 -20.742 1.00 2.43 H new ATOM 0 HB3 HIS A 105 -23.288 -25.080 -21.379 1.00 2.43 H new ATOM 0 HD2 HIS A 105 -21.705 -28.641 -21.470 1.00 23.33 H new ATOM 0 HE1 HIS A 105 -25.380 -28.795 -23.573 1.00 62.23 H new ATOM 0 HE2 HIS A 105 -23.472 -30.170 -22.621 1.00 2.13 H new TER 1750 HIS A 105