USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1287 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 169 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.051) USER MOD Set 1.2: A 172 HIS : no HD1:sc= 0 X(o=-0.015,f=-0.017) USER MOD Set 2.1: A 108 THR OG1 : rot -114:sc= 1.17 USER MOD Set 2.2: A 127 SER OG : rot 180:sc= 0.996 USER MOD Set 3.1: A 80 THR OG1 : rot 130:sc= 0.142 USER MOD Set 3.2: A 109 HIS : no HE2:sc= -1.83 K(o=-1.7,f=-3.8!) USER MOD Set 4.1: A 60 LYS NZ :NH3+ 172:sc=-0.00642 (180deg=-0.144) USER MOD Set 4.2: A 78 GLN : amide:sc= -0.0548 K(o=-0.061,f=-4.5!) USER MOD Single : A 1 THR N :NH3+ 159:sc= 0.0311 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 171:sc= 0.434 USER MOD Single : A 4 SER OG : rot -104:sc= 0.263 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc=-0.00567 (180deg=-0.0793) USER MOD Single : A 13 SER OG : rot 59:sc= 0.306 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 49 THR OG1 : rot -1:sc= 0.125 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.000621 USER MOD Single : A 53 HIS : no HE2:sc= -1.32 X(o=-1.3,f=-1.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 166:sc= -0.273 (180deg=-0.428) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 64:sc= 0.289 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : +bothHN:sc= 0.483 K(o=0.48,f=-2.3) USER MOD Single : A 98 HIS : no HD1:sc=-0.00892 X(o=-0.0089,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.0225 X(o=-0.022,f=-0.5!) USER MOD Single : A 121 THR OG1 : rot 83:sc= 0.318 USER MOD Single : A 123 MET CE :methyl -107:sc= -0.607 (180deg=-2.29) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 45:sc= -0.0853 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0.113 K(o=0.11,f=-6.9!) USER MOD Single : A 135 MET CE :methyl -143:sc= -0.479 (180deg=-1.77) USER MOD Single : A 136 GLN : amide:sc=-0.00431 X(o=-0.0043,f=-0.18) USER MOD Single : A 137 LYS NZ :NH3+ 161:sc= 0.199 (180deg=0.0917) USER MOD Single : A 138 MET CE :methyl 155:sc= -0.196 (180deg=-2.02!) USER MOD Single : A 141 MET CE :methyl -162:sc= -0.0619 (180deg=-0.431) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 MET CE :methyl -117:sc= -0.288 (180deg=-1.73!) USER MOD Single : A 153 GLN :FLIP amide:sc= -2.58! C(o=-3.7!,f=-2.6!) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 163 ASN : amide:sc= -0.0985 X(o=-0.099,f=-0.1) USER MOD Single : A 167 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.046) USER MOD Single : A 168 HIS : no HD1:sc= 0.278 K(o=0.28,f=-1) USER MOD Single : A 170 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 171 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -12.775 2.358 -7.135 1.00 72.40 N ATOM 2 CA THR A 1 -12.466 2.221 -8.579 1.00 51.43 C ATOM 3 C THR A 1 -11.597 0.966 -8.857 1.00 61.23 C ATOM 4 O THR A 1 -12.150 -0.132 -8.947 1.00 25.54 O ATOM 5 CB THR A 1 -11.806 3.524 -9.135 1.00 61.31 C ATOM 6 OG1 THR A 1 -12.608 4.660 -8.771 1.00 44.44 O ATOM 7 CG2 THR A 1 -11.629 3.488 -10.668 1.00 1.23 C ATOM 0 H1 THR A 1 -13.032 3.344 -6.927 1.00 72.40 H new ATOM 0 H2 THR A 1 -13.570 1.734 -6.889 1.00 72.40 H new ATOM 0 H3 THR A 1 -11.940 2.092 -6.575 1.00 72.40 H new ATOM 0 HA THR A 1 -13.406 2.079 -9.112 1.00 51.43 H new ATOM 0 HB THR A 1 -10.812 3.601 -8.694 1.00 61.31 H new ATOM 0 HG1 THR A 1 -12.124 5.485 -8.986 1.00 44.44 H new ATOM 0 HG21 THR A 1 -11.166 4.416 -11.003 1.00 1.23 H new ATOM 0 HG22 THR A 1 -10.992 2.646 -10.941 1.00 1.23 H new ATOM 0 HG23 THR A 1 -12.603 3.376 -11.144 1.00 1.23 H new ATOM 17 N VAL A 2 -10.243 1.123 -8.920 1.00 2.55 N ATOM 18 CA VAL A 2 -9.299 0.068 -9.393 1.00 53.34 C ATOM 19 C VAL A 2 -9.692 -0.467 -10.804 1.00 3.55 C ATOM 20 O VAL A 2 -10.511 -1.388 -10.934 1.00 53.51 O ATOM 21 CB VAL A 2 -9.138 -1.121 -8.364 1.00 32.12 C ATOM 22 CG1 VAL A 2 -8.087 -2.153 -8.849 1.00 11.23 C ATOM 23 CG2 VAL A 2 -8.782 -0.592 -6.956 1.00 35.10 C ATOM 0 H VAL A 2 -9.776 1.986 -8.644 1.00 2.55 H new ATOM 0 HA VAL A 2 -8.325 0.551 -9.471 1.00 53.34 H new ATOM 0 HB VAL A 2 -10.099 -1.632 -8.301 1.00 32.12 H new ATOM 0 HG11 VAL A 2 -8.002 -2.957 -8.118 1.00 11.23 H new ATOM 0 HG12 VAL A 2 -8.399 -2.567 -9.808 1.00 11.23 H new ATOM 0 HG13 VAL A 2 -7.121 -1.662 -8.963 1.00 11.23 H new ATOM 0 HG21 VAL A 2 -8.677 -1.431 -6.268 1.00 35.10 H new ATOM 0 HG22 VAL A 2 -7.843 -0.040 -7.001 1.00 35.10 H new ATOM 0 HG23 VAL A 2 -9.574 0.069 -6.604 1.00 35.10 H new ATOM 33 N VAL A 3 -9.122 0.148 -11.854 1.00 44.12 N ATOM 34 CA VAL A 3 -9.444 -0.182 -13.269 1.00 13.52 C ATOM 35 C VAL A 3 -8.592 -1.355 -13.823 1.00 24.15 C ATOM 36 O VAL A 3 -9.044 -2.087 -14.711 1.00 31.25 O ATOM 37 CB VAL A 3 -9.292 1.088 -14.196 1.00 50.44 C ATOM 38 CG1 VAL A 3 -10.411 2.121 -13.908 1.00 43.23 C ATOM 39 CG2 VAL A 3 -7.895 1.740 -14.030 1.00 41.34 C ATOM 0 H VAL A 3 -8.426 0.887 -11.755 1.00 44.12 H new ATOM 0 HA VAL A 3 -10.484 -0.508 -13.277 1.00 13.52 H new ATOM 0 HB VAL A 3 -9.389 0.756 -15.229 1.00 50.44 H new ATOM 0 HG11 VAL A 3 -10.284 2.986 -14.559 1.00 43.23 H new ATOM 0 HG12 VAL A 3 -11.383 1.666 -14.095 1.00 43.23 H new ATOM 0 HG13 VAL A 3 -10.354 2.439 -12.867 1.00 43.23 H new ATOM 0 HG21 VAL A 3 -7.821 2.611 -14.681 1.00 41.34 H new ATOM 0 HG22 VAL A 3 -7.758 2.048 -12.993 1.00 41.34 H new ATOM 0 HG23 VAL A 3 -7.123 1.019 -14.299 1.00 41.34 H new ATOM 49 N SER A 4 -7.369 -1.543 -13.283 1.00 45.41 N ATOM 50 CA SER A 4 -6.435 -2.606 -13.742 1.00 33.04 C ATOM 51 C SER A 4 -5.577 -3.139 -12.577 1.00 64.40 C ATOM 52 O SER A 4 -5.178 -2.384 -11.690 1.00 54.12 O ATOM 53 CB SER A 4 -5.513 -2.075 -14.867 1.00 23.13 C ATOM 54 OG SER A 4 -4.618 -3.076 -15.327 1.00 33.24 O ATOM 0 H SER A 4 -6.999 -0.971 -12.524 1.00 45.41 H new ATOM 0 HA SER A 4 -7.039 -3.426 -14.131 1.00 33.04 H new ATOM 0 HB2 SER A 4 -6.121 -1.720 -15.699 1.00 23.13 H new ATOM 0 HB3 SER A 4 -4.945 -1.220 -14.500 1.00 23.13 H new ATOM 0 HG SER A 4 -3.723 -2.907 -14.964 1.00 33.24 H new ATOM 60 N VAL A 5 -5.323 -4.459 -12.586 1.00 54.12 N ATOM 61 CA VAL A 5 -4.415 -5.137 -11.626 1.00 13.01 C ATOM 62 C VAL A 5 -3.405 -6.008 -12.412 1.00 21.00 C ATOM 63 O VAL A 5 -3.750 -7.092 -12.907 1.00 23.43 O ATOM 64 CB VAL A 5 -5.213 -6.022 -10.585 1.00 72.31 C ATOM 65 CG1 VAL A 5 -4.259 -6.767 -9.610 1.00 23.51 C ATOM 66 CG2 VAL A 5 -6.230 -5.166 -9.796 1.00 23.24 C ATOM 0 H VAL A 5 -5.742 -5.096 -13.263 1.00 54.12 H new ATOM 0 HA VAL A 5 -3.884 -4.374 -11.057 1.00 13.01 H new ATOM 0 HB VAL A 5 -5.759 -6.774 -11.154 1.00 72.31 H new ATOM 0 HG11 VAL A 5 -4.846 -7.363 -8.911 1.00 23.51 H new ATOM 0 HG12 VAL A 5 -3.597 -7.421 -10.178 1.00 23.51 H new ATOM 0 HG13 VAL A 5 -3.665 -6.040 -9.056 1.00 23.51 H new ATOM 0 HG21 VAL A 5 -6.765 -5.798 -9.087 1.00 23.24 H new ATOM 0 HG22 VAL A 5 -5.702 -4.381 -9.255 1.00 23.24 H new ATOM 0 HG23 VAL A 5 -6.941 -4.715 -10.489 1.00 23.24 H new ATOM 76 N ASP A 6 -2.175 -5.496 -12.557 1.00 60.41 N ATOM 77 CA ASP A 6 -1.083 -6.151 -13.314 1.00 44.45 C ATOM 78 C ASP A 6 -0.104 -6.884 -12.365 1.00 5.02 C ATOM 79 O ASP A 6 0.337 -6.319 -11.368 1.00 4.35 O ATOM 80 CB ASP A 6 -0.311 -5.083 -14.139 1.00 0.41 C ATOM 81 CG ASP A 6 -1.243 -4.202 -14.985 1.00 14.23 C ATOM 82 OD1 ASP A 6 -1.577 -4.592 -16.126 1.00 60.22 O ATOM 83 OD2 ASP A 6 -1.666 -3.128 -14.498 1.00 51.05 O ATOM 0 H ASP A 6 -1.900 -4.603 -12.148 1.00 60.41 H new ATOM 0 HA ASP A 6 -1.525 -6.890 -13.983 1.00 44.45 H new ATOM 0 HB2 ASP A 6 0.264 -4.451 -13.461 1.00 0.41 H new ATOM 0 HB3 ASP A 6 0.404 -5.582 -14.793 1.00 0.41 H new ATOM 88 N LYS A 7 0.253 -8.133 -12.698 1.00 61.30 N ATOM 89 CA LYS A 7 1.232 -8.938 -11.932 1.00 70.22 C ATOM 90 C LYS A 7 2.232 -9.614 -12.895 1.00 4.52 C ATOM 91 O LYS A 7 1.821 -10.237 -13.881 1.00 72.25 O ATOM 92 CB LYS A 7 0.488 -9.990 -11.059 1.00 10.23 C ATOM 93 CG LYS A 7 1.409 -10.996 -10.329 1.00 73.53 C ATOM 94 CD LYS A 7 0.628 -12.000 -9.445 1.00 4.33 C ATOM 95 CE LYS A 7 1.454 -13.252 -9.095 1.00 0.25 C ATOM 96 NZ LYS A 7 1.632 -14.134 -10.280 1.00 1.25 N ATOM 0 H LYS A 7 -0.128 -8.621 -13.509 1.00 61.30 H new ATOM 0 HA LYS A 7 1.796 -8.284 -11.267 1.00 70.22 H new ATOM 0 HB2 LYS A 7 -0.114 -9.465 -10.317 1.00 10.23 H new ATOM 0 HB3 LYS A 7 -0.202 -10.546 -11.694 1.00 10.23 H new ATOM 0 HG2 LYS A 7 1.993 -11.547 -11.066 1.00 73.53 H new ATOM 0 HG3 LYS A 7 2.117 -10.447 -9.708 1.00 73.53 H new ATOM 0 HD2 LYS A 7 0.320 -11.504 -8.525 1.00 4.33 H new ATOM 0 HD3 LYS A 7 -0.282 -12.303 -9.964 1.00 4.33 H new ATOM 0 HE2 LYS A 7 2.430 -12.951 -8.714 1.00 0.25 H new ATOM 0 HE3 LYS A 7 0.958 -13.806 -8.298 1.00 0.25 H new ATOM 0 HZ1 LYS A 7 2.057 -15.035 -9.981 1.00 1.25 H new ATOM 0 HZ2 LYS A 7 0.707 -14.316 -10.719 1.00 1.25 H new ATOM 0 HZ3 LYS A 7 2.257 -13.668 -10.969 1.00 1.25 H new ATOM 110 N ASP A 8 3.546 -9.484 -12.608 1.00 71.41 N ATOM 111 CA ASP A 8 4.617 -10.139 -13.395 1.00 2.45 C ATOM 112 C ASP A 8 5.630 -10.834 -12.447 1.00 53.23 C ATOM 113 O ASP A 8 6.237 -10.186 -11.587 1.00 42.51 O ATOM 114 CB ASP A 8 5.334 -9.111 -14.315 1.00 64.23 C ATOM 115 CG ASP A 8 6.213 -9.791 -15.388 1.00 12.04 C ATOM 116 OD1 ASP A 8 7.356 -10.163 -15.088 1.00 11.31 O ATOM 117 OD2 ASP A 8 5.744 -9.994 -16.524 1.00 13.34 O ATOM 0 H ASP A 8 3.894 -8.925 -11.829 1.00 71.41 H new ATOM 0 HA ASP A 8 4.164 -10.898 -14.033 1.00 2.45 H new ATOM 0 HB2 ASP A 8 4.589 -8.484 -14.804 1.00 64.23 H new ATOM 0 HB3 ASP A 8 5.954 -8.453 -13.706 1.00 64.23 H new ATOM 122 N VAL A 9 5.808 -12.155 -12.632 1.00 75.33 N ATOM 123 CA VAL A 9 6.681 -13.001 -11.778 1.00 45.42 C ATOM 124 C VAL A 9 8.169 -12.907 -12.203 1.00 64.31 C ATOM 125 O VAL A 9 9.071 -13.029 -11.374 1.00 73.35 O ATOM 126 CB VAL A 9 6.213 -14.507 -11.821 1.00 30.10 C ATOM 127 CG1 VAL A 9 6.954 -15.377 -10.778 1.00 73.52 C ATOM 128 CG2 VAL A 9 4.688 -14.620 -11.622 1.00 63.02 C ATOM 0 H VAL A 9 5.350 -12.674 -13.381 1.00 75.33 H new ATOM 0 HA VAL A 9 6.593 -12.624 -10.759 1.00 45.42 H new ATOM 0 HB VAL A 9 6.467 -14.887 -12.810 1.00 30.10 H new ATOM 0 HG11 VAL A 9 6.599 -16.406 -10.844 1.00 73.52 H new ATOM 0 HG12 VAL A 9 8.025 -15.349 -10.976 1.00 73.52 H new ATOM 0 HG13 VAL A 9 6.760 -14.990 -9.778 1.00 73.52 H new ATOM 0 HG21 VAL A 9 4.393 -15.669 -11.656 1.00 63.02 H new ATOM 0 HG22 VAL A 9 4.415 -14.198 -10.655 1.00 63.02 H new ATOM 0 HG23 VAL A 9 4.176 -14.073 -12.414 1.00 63.02 H new ATOM 138 N GLU A 10 8.405 -12.672 -13.497 1.00 74.54 N ATOM 139 CA GLU A 10 9.766 -12.645 -14.095 1.00 41.20 C ATOM 140 C GLU A 10 10.551 -11.382 -13.672 1.00 62.11 C ATOM 141 O GLU A 10 11.769 -11.416 -13.484 1.00 45.21 O ATOM 142 CB GLU A 10 9.627 -12.734 -15.632 1.00 12.53 C ATOM 143 CG GLU A 10 8.951 -14.035 -16.107 1.00 2.25 C ATOM 144 CD GLU A 10 8.667 -14.075 -17.616 1.00 32.31 C ATOM 145 OE1 GLU A 10 9.625 -14.171 -18.404 1.00 41.32 O ATOM 146 OE2 GLU A 10 7.483 -14.027 -18.017 1.00 63.24 O ATOM 0 H GLU A 10 7.662 -12.493 -14.172 1.00 74.54 H new ATOM 0 HA GLU A 10 10.338 -13.497 -13.729 1.00 41.20 H new ATOM 0 HB2 GLU A 10 9.049 -11.881 -15.988 1.00 12.53 H new ATOM 0 HB3 GLU A 10 10.616 -12.660 -16.085 1.00 12.53 H new ATOM 0 HG2 GLU A 10 9.588 -14.880 -15.845 1.00 2.25 H new ATOM 0 HG3 GLU A 10 8.013 -14.163 -15.567 1.00 2.25 H new ATOM 153 N ALA A 11 9.816 -10.282 -13.508 1.00 33.34 N ATOM 154 CA ALA A 11 10.356 -8.983 -13.061 1.00 10.21 C ATOM 155 C ALA A 11 10.223 -8.798 -11.530 1.00 63.11 C ATOM 156 O ALA A 11 10.708 -7.797 -10.988 1.00 71.31 O ATOM 157 CB ALA A 11 9.621 -7.859 -13.801 1.00 41.30 C ATOM 0 H ALA A 11 8.811 -10.261 -13.683 1.00 33.34 H new ATOM 0 HA ALA A 11 11.420 -8.952 -13.294 1.00 10.21 H new ATOM 0 HB1 ALA A 11 10.012 -6.894 -13.478 1.00 41.30 H new ATOM 0 HB2 ALA A 11 9.772 -7.971 -14.875 1.00 41.30 H new ATOM 0 HB3 ALA A 11 8.556 -7.912 -13.577 1.00 41.30 H new ATOM 163 N LEU A 12 9.550 -9.772 -10.860 1.00 22.44 N ATOM 164 CA LEU A 12 9.245 -9.738 -9.402 1.00 65.15 C ATOM 165 C LEU A 12 8.466 -8.453 -9.010 1.00 43.45 C ATOM 166 O LEU A 12 8.597 -7.952 -7.902 1.00 40.10 O ATOM 167 CB LEU A 12 10.557 -9.888 -8.564 1.00 21.24 C ATOM 168 CG LEU A 12 11.426 -11.152 -8.867 1.00 70.10 C ATOM 169 CD1 LEU A 12 12.718 -11.155 -8.023 1.00 21.43 C ATOM 170 CD2 LEU A 12 10.622 -12.449 -8.658 1.00 43.02 C ATOM 0 H LEU A 12 9.200 -10.612 -11.321 1.00 22.44 H new ATOM 0 HA LEU A 12 8.597 -10.585 -9.175 1.00 65.15 H new ATOM 0 HB2 LEU A 12 11.171 -9.002 -8.727 1.00 21.24 H new ATOM 0 HB3 LEU A 12 10.290 -9.901 -7.507 1.00 21.24 H new ATOM 0 HG LEU A 12 11.714 -11.109 -9.917 1.00 70.10 H new ATOM 0 HD11 LEU A 12 13.302 -12.046 -8.255 1.00 21.43 H new ATOM 0 HD12 LEU A 12 13.305 -10.266 -8.253 1.00 21.43 H new ATOM 0 HD13 LEU A 12 12.461 -11.156 -6.964 1.00 21.43 H new ATOM 0 HD21 LEU A 12 11.255 -13.309 -8.877 1.00 43.02 H new ATOM 0 HD22 LEU A 12 10.281 -12.503 -7.624 1.00 43.02 H new ATOM 0 HD23 LEU A 12 9.760 -12.454 -9.325 1.00 43.02 H new ATOM 182 N SER A 13 7.635 -7.941 -9.935 1.00 2.35 N ATOM 183 CA SER A 13 6.947 -6.636 -9.770 1.00 21.53 C ATOM 184 C SER A 13 5.421 -6.790 -9.895 1.00 53.41 C ATOM 185 O SER A 13 4.926 -7.444 -10.819 1.00 14.22 O ATOM 186 CB SER A 13 7.464 -5.624 -10.817 1.00 34.13 C ATOM 187 OG SER A 13 8.869 -5.428 -10.703 1.00 42.21 O ATOM 0 H SER A 13 7.419 -8.411 -10.814 1.00 2.35 H new ATOM 0 HA SER A 13 7.170 -6.263 -8.770 1.00 21.53 H new ATOM 0 HB2 SER A 13 7.225 -5.981 -11.819 1.00 34.13 H new ATOM 0 HB3 SER A 13 6.951 -4.671 -10.688 1.00 34.13 H new ATOM 0 HG SER A 13 9.330 -6.283 -10.832 1.00 42.21 H new ATOM 193 N PHE A 14 4.686 -6.171 -8.960 1.00 63.31 N ATOM 194 CA PHE A 14 3.211 -6.189 -8.926 1.00 21.42 C ATOM 195 C PHE A 14 2.636 -4.742 -8.957 1.00 45.23 C ATOM 196 O PHE A 14 2.741 -4.004 -7.982 1.00 41.23 O ATOM 197 CB PHE A 14 2.745 -6.961 -7.664 1.00 42.02 C ATOM 198 CG PHE A 14 1.245 -6.890 -7.439 1.00 24.53 C ATOM 199 CD1 PHE A 14 0.367 -7.347 -8.416 1.00 62.10 C ATOM 200 CD2 PHE A 14 0.716 -6.334 -6.276 1.00 3.24 C ATOM 201 CE1 PHE A 14 -0.985 -7.244 -8.252 1.00 5.20 C ATOM 202 CE2 PHE A 14 -0.641 -6.241 -6.107 1.00 40.30 C ATOM 203 CZ PHE A 14 -1.493 -6.695 -7.097 1.00 43.41 C ATOM 0 H PHE A 14 5.101 -5.637 -8.196 1.00 63.31 H new ATOM 0 HA PHE A 14 2.832 -6.699 -9.812 1.00 21.42 H new ATOM 0 HB2 PHE A 14 3.043 -8.006 -7.754 1.00 42.02 H new ATOM 0 HB3 PHE A 14 3.256 -6.558 -6.790 1.00 42.02 H new ATOM 0 HD1 PHE A 14 0.761 -7.790 -9.319 1.00 62.10 H new ATOM 0 HD2 PHE A 14 1.379 -5.974 -5.503 1.00 3.24 H new ATOM 0 HE1 PHE A 14 -1.653 -7.592 -9.026 1.00 5.20 H new ATOM 0 HE2 PHE A 14 -1.045 -5.813 -5.201 1.00 40.30 H new ATOM 0 HZ PHE A 14 -2.562 -6.618 -6.963 1.00 43.41 H new ATOM 213 N SER A 15 1.996 -4.371 -10.074 1.00 43.41 N ATOM 214 CA SER A 15 1.485 -2.995 -10.321 1.00 1.25 C ATOM 215 C SER A 15 -0.063 -2.927 -10.277 1.00 64.34 C ATOM 216 O SER A 15 -0.725 -3.672 -10.982 1.00 1.10 O ATOM 217 CB SER A 15 1.987 -2.516 -11.699 1.00 54.20 C ATOM 218 OG SER A 15 1.486 -1.229 -12.022 1.00 43.21 O ATOM 0 H SER A 15 1.812 -5.014 -10.844 1.00 43.41 H new ATOM 0 HA SER A 15 1.859 -2.348 -9.528 1.00 1.25 H new ATOM 0 HB2 SER A 15 3.077 -2.493 -11.701 1.00 54.20 H new ATOM 0 HB3 SER A 15 1.681 -3.228 -12.465 1.00 54.20 H new ATOM 0 HG SER A 15 1.825 -0.957 -12.900 1.00 43.21 H new ATOM 224 N ILE A 16 -0.634 -2.020 -9.462 1.00 65.41 N ATOM 225 CA ILE A 16 -2.105 -1.765 -9.435 1.00 22.34 C ATOM 226 C ILE A 16 -2.414 -0.358 -9.975 1.00 12.32 C ATOM 227 O ILE A 16 -1.904 0.629 -9.449 1.00 15.33 O ATOM 228 CB ILE A 16 -2.703 -1.898 -7.981 1.00 15.43 C ATOM 229 CG1 ILE A 16 -2.469 -3.332 -7.435 1.00 41.12 C ATOM 230 CG2 ILE A 16 -4.217 -1.529 -7.936 1.00 60.44 C ATOM 231 CD1 ILE A 16 -2.932 -3.550 -6.009 1.00 51.24 C ATOM 0 H ILE A 16 -0.105 -1.444 -8.807 1.00 65.41 H new ATOM 0 HA ILE A 16 -2.570 -2.521 -10.068 1.00 22.34 H new ATOM 0 HB ILE A 16 -2.181 -1.186 -7.342 1.00 15.43 H new ATOM 0 HG12 ILE A 16 -2.985 -4.041 -8.082 1.00 41.12 H new ATOM 0 HG13 ILE A 16 -1.405 -3.560 -7.496 1.00 41.12 H new ATOM 0 HG21 ILE A 16 -4.587 -1.635 -6.916 1.00 60.44 H new ATOM 0 HG22 ILE A 16 -4.350 -0.499 -8.266 1.00 60.44 H new ATOM 0 HG23 ILE A 16 -4.774 -2.195 -8.595 1.00 60.44 H new ATOM 0 HD11 ILE A 16 -2.728 -4.579 -5.714 1.00 51.24 H new ATOM 0 HD12 ILE A 16 -2.399 -2.870 -5.345 1.00 51.24 H new ATOM 0 HD13 ILE A 16 -4.003 -3.358 -5.941 1.00 51.24 H new ATOM 243 N VAL A 17 -3.274 -0.281 -11.003 1.00 52.24 N ATOM 244 CA VAL A 17 -3.725 0.990 -11.600 1.00 23.13 C ATOM 245 C VAL A 17 -5.170 1.315 -11.128 1.00 43.11 C ATOM 246 O VAL A 17 -6.124 0.602 -11.459 1.00 64.03 O ATOM 247 CB VAL A 17 -3.678 0.927 -13.174 1.00 41.40 C ATOM 248 CG1 VAL A 17 -4.037 2.300 -13.808 1.00 12.22 C ATOM 249 CG2 VAL A 17 -2.297 0.417 -13.674 1.00 33.41 C ATOM 0 H VAL A 17 -3.680 -1.104 -11.448 1.00 52.24 H new ATOM 0 HA VAL A 17 -3.049 1.778 -11.269 1.00 23.13 H new ATOM 0 HB VAL A 17 -4.433 0.211 -13.498 1.00 41.40 H new ATOM 0 HG11 VAL A 17 -3.995 2.221 -14.894 1.00 12.22 H new ATOM 0 HG12 VAL A 17 -5.043 2.589 -13.504 1.00 12.22 H new ATOM 0 HG13 VAL A 17 -3.325 3.054 -13.471 1.00 12.22 H new ATOM 0 HG21 VAL A 17 -2.294 0.384 -14.763 1.00 33.41 H new ATOM 0 HG22 VAL A 17 -1.513 1.092 -13.329 1.00 33.41 H new ATOM 0 HG23 VAL A 17 -2.114 -0.583 -13.280 1.00 33.41 H new ATOM 259 N ALA A 18 -5.304 2.375 -10.324 1.00 33.40 N ATOM 260 CA ALA A 18 -6.604 2.907 -9.855 1.00 61.40 C ATOM 261 C ALA A 18 -6.736 4.393 -10.232 1.00 62.42 C ATOM 262 O ALA A 18 -5.732 5.067 -10.419 1.00 34.42 O ATOM 263 CB ALA A 18 -6.724 2.712 -8.337 1.00 53.31 C ATOM 0 H ALA A 18 -4.505 2.901 -9.971 1.00 33.40 H new ATOM 0 HA ALA A 18 -7.414 2.363 -10.340 1.00 61.40 H new ATOM 0 HB1 ALA A 18 -7.681 3.104 -7.994 1.00 53.31 H new ATOM 0 HB2 ALA A 18 -6.662 1.650 -8.101 1.00 53.31 H new ATOM 0 HB3 ALA A 18 -5.914 3.243 -7.837 1.00 53.31 H new ATOM 269 N GLU A 19 -7.976 4.898 -10.376 1.00 45.34 N ATOM 270 CA GLU A 19 -8.237 6.320 -10.756 1.00 31.20 C ATOM 271 C GLU A 19 -9.376 6.898 -9.892 1.00 43.54 C ATOM 272 O GLU A 19 -10.437 6.303 -9.803 1.00 74.41 O ATOM 273 CB GLU A 19 -8.611 6.410 -12.261 1.00 24.31 C ATOM 274 CG GLU A 19 -7.543 5.847 -13.217 1.00 41.14 C ATOM 275 CD GLU A 19 -7.976 5.870 -14.685 1.00 75.50 C ATOM 276 OE1 GLU A 19 -8.694 4.950 -15.114 1.00 4.13 O ATOM 277 OE2 GLU A 19 -7.614 6.818 -15.406 1.00 64.01 O ATOM 0 H GLU A 19 -8.823 4.348 -10.236 1.00 45.34 H new ATOM 0 HA GLU A 19 -7.332 6.903 -10.583 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -9.546 5.873 -12.423 1.00 24.31 H new ATOM 0 HB3 GLU A 19 -8.795 7.454 -12.515 1.00 24.31 H new ATOM 0 HG2 GLU A 19 -6.625 6.424 -13.107 1.00 41.14 H new ATOM 0 HG3 GLU A 19 -7.311 4.822 -12.929 1.00 41.14 H new ATOM 284 N PHE A 20 -9.146 8.059 -9.263 1.00 21.12 N ATOM 285 CA PHE A 20 -10.119 8.684 -8.330 1.00 42.12 C ATOM 286 C PHE A 20 -10.464 10.118 -8.783 1.00 33.23 C ATOM 287 O PHE A 20 -9.592 10.848 -9.284 1.00 31.31 O ATOM 288 CB PHE A 20 -9.539 8.680 -6.881 1.00 61.52 C ATOM 289 CG PHE A 20 -9.114 7.284 -6.397 1.00 64.11 C ATOM 290 CD1 PHE A 20 -10.068 6.327 -6.045 1.00 71.42 C ATOM 291 CD2 PHE A 20 -7.761 6.921 -6.331 1.00 63.32 C ATOM 292 CE1 PHE A 20 -9.690 5.062 -5.639 1.00 51.21 C ATOM 293 CE2 PHE A 20 -7.387 5.656 -5.921 1.00 4.15 C ATOM 294 CZ PHE A 20 -8.350 4.726 -5.580 1.00 71.12 C ATOM 0 H PHE A 20 -8.287 8.596 -9.380 1.00 21.12 H new ATOM 0 HA PHE A 20 -11.041 8.103 -8.338 1.00 42.12 H new ATOM 0 HB2 PHE A 20 -8.679 9.348 -6.840 1.00 61.52 H new ATOM 0 HB3 PHE A 20 -10.287 9.081 -6.197 1.00 61.52 H new ATOM 0 HD1 PHE A 20 -11.117 6.580 -6.091 1.00 71.42 H new ATOM 0 HD2 PHE A 20 -7.002 7.639 -6.604 1.00 63.32 H new ATOM 0 HE1 PHE A 20 -10.441 4.335 -5.368 1.00 51.21 H new ATOM 0 HE2 PHE A 20 -6.341 5.394 -5.867 1.00 4.15 H new ATOM 0 HZ PHE A 20 -8.056 3.735 -5.267 1.00 71.12 H new ATOM 304 N ASP A 21 -11.744 10.505 -8.613 1.00 74.32 N ATOM 305 CA ASP A 21 -12.224 11.862 -8.939 1.00 64.41 C ATOM 306 C ASP A 21 -11.781 12.855 -7.840 1.00 3.15 C ATOM 307 O ASP A 21 -12.529 13.148 -6.897 1.00 14.24 O ATOM 308 CB ASP A 21 -13.765 11.847 -9.100 1.00 53.35 C ATOM 309 CG ASP A 21 -14.231 10.943 -10.247 1.00 74.43 C ATOM 310 OD1 ASP A 21 -14.464 9.737 -10.016 1.00 12.25 O ATOM 311 OD2 ASP A 21 -14.337 11.426 -11.395 1.00 42.51 O ATOM 0 H ASP A 21 -12.470 9.889 -8.248 1.00 74.32 H new ATOM 0 HA ASP A 21 -11.788 12.189 -9.883 1.00 64.41 H new ATOM 0 HB2 ASP A 21 -14.220 11.510 -8.169 1.00 53.35 H new ATOM 0 HB3 ASP A 21 -14.118 12.863 -9.277 1.00 53.35 H new ATOM 316 N ALA A 22 -10.537 13.338 -7.983 1.00 52.25 N ATOM 317 CA ALA A 22 -9.854 14.209 -7.000 1.00 35.33 C ATOM 318 C ALA A 22 -8.503 14.684 -7.569 1.00 65.55 C ATOM 319 O ALA A 22 -8.042 14.168 -8.591 1.00 3.54 O ATOM 320 CB ALA A 22 -9.634 13.455 -5.669 1.00 72.22 C ATOM 0 H ALA A 22 -9.962 13.133 -8.800 1.00 52.25 H new ATOM 0 HA ALA A 22 -10.484 15.077 -6.806 1.00 35.33 H new ATOM 0 HB1 ALA A 22 -9.131 14.111 -4.958 1.00 72.22 H new ATOM 0 HB2 ALA A 22 -10.597 13.149 -5.261 1.00 72.22 H new ATOM 0 HB3 ALA A 22 -9.019 12.573 -5.848 1.00 72.22 H new ATOM 326 N ASP A 23 -7.851 15.645 -6.888 1.00 51.10 N ATOM 327 CA ASP A 23 -6.511 16.122 -7.295 1.00 64.22 C ATOM 328 C ASP A 23 -5.414 15.215 -6.690 1.00 34.45 C ATOM 329 O ASP A 23 -5.689 14.389 -5.806 1.00 42.50 O ATOM 330 CB ASP A 23 -6.287 17.601 -6.884 1.00 11.52 C ATOM 331 CG ASP A 23 -6.339 17.815 -5.366 1.00 51.42 C ATOM 332 OD1 ASP A 23 -7.450 17.935 -4.818 1.00 32.02 O ATOM 333 OD2 ASP A 23 -5.270 17.853 -4.717 1.00 32.12 O ATOM 0 H ASP A 23 -8.225 16.105 -6.058 1.00 51.10 H new ATOM 0 HA ASP A 23 -6.450 16.070 -8.382 1.00 64.22 H new ATOM 0 HB2 ASP A 23 -5.320 17.934 -7.260 1.00 11.52 H new ATOM 0 HB3 ASP A 23 -7.045 18.223 -7.359 1.00 11.52 H new ATOM 338 N VAL A 24 -4.181 15.414 -7.169 1.00 23.22 N ATOM 339 CA VAL A 24 -2.997 14.622 -6.775 1.00 32.02 C ATOM 340 C VAL A 24 -2.758 14.644 -5.250 1.00 51.21 C ATOM 341 O VAL A 24 -2.551 13.600 -4.636 1.00 74.21 O ATOM 342 CB VAL A 24 -1.726 15.148 -7.537 1.00 22.32 C ATOM 343 CG1 VAL A 24 -0.435 14.408 -7.120 1.00 25.23 C ATOM 344 CG2 VAL A 24 -1.927 15.048 -9.061 1.00 4.22 C ATOM 0 H VAL A 24 -3.968 16.140 -7.853 1.00 23.22 H new ATOM 0 HA VAL A 24 -3.187 13.585 -7.052 1.00 32.02 H new ATOM 0 HB VAL A 24 -1.603 16.194 -7.257 1.00 22.32 H new ATOM 0 HG11 VAL A 24 0.411 14.811 -7.677 1.00 25.23 H new ATOM 0 HG12 VAL A 24 -0.266 14.546 -6.052 1.00 25.23 H new ATOM 0 HG13 VAL A 24 -0.539 13.345 -7.337 1.00 25.23 H new ATOM 0 HG21 VAL A 24 -1.037 15.417 -9.570 1.00 4.22 H new ATOM 0 HG22 VAL A 24 -2.099 14.008 -9.338 1.00 4.22 H new ATOM 0 HG23 VAL A 24 -2.788 15.649 -9.355 1.00 4.22 H new ATOM 354 N LYS A 25 -2.844 15.839 -4.654 1.00 63.51 N ATOM 355 CA LYS A 25 -2.560 16.051 -3.216 1.00 62.11 C ATOM 356 C LYS A 25 -3.681 15.482 -2.311 1.00 72.32 C ATOM 357 O LYS A 25 -3.419 15.095 -1.169 1.00 3.34 O ATOM 358 CB LYS A 25 -2.341 17.554 -2.937 1.00 72.41 C ATOM 359 CG LYS A 25 -1.262 18.196 -3.835 1.00 71.32 C ATOM 360 CD LYS A 25 -0.973 19.665 -3.480 1.00 21.42 C ATOM 361 CE LYS A 25 -0.384 19.823 -2.067 1.00 71.10 C ATOM 362 NZ LYS A 25 -0.060 21.239 -1.771 1.00 11.23 N ATOM 0 H LYS A 25 -3.112 16.690 -5.148 1.00 63.51 H new ATOM 0 HA LYS A 25 -1.648 15.506 -2.973 1.00 62.11 H new ATOM 0 HB2 LYS A 25 -3.283 18.083 -3.080 1.00 72.41 H new ATOM 0 HB3 LYS A 25 -2.058 17.684 -1.893 1.00 72.41 H new ATOM 0 HG2 LYS A 25 -0.340 17.621 -3.752 1.00 71.32 H new ATOM 0 HG3 LYS A 25 -1.582 18.137 -4.875 1.00 71.32 H new ATOM 0 HD2 LYS A 25 -0.278 20.082 -4.209 1.00 21.42 H new ATOM 0 HD3 LYS A 25 -1.895 20.242 -3.553 1.00 21.42 H new ATOM 0 HE2 LYS A 25 -1.096 19.449 -1.331 1.00 71.10 H new ATOM 0 HE3 LYS A 25 0.517 19.216 -1.977 1.00 71.10 H new ATOM 0 HZ1 LYS A 25 0.335 21.312 -0.812 1.00 11.23 H new ATOM 0 HZ2 LYS A 25 0.637 21.587 -2.460 1.00 11.23 H new ATOM 0 HZ3 LYS A 25 -0.925 21.813 -1.834 1.00 11.23 H new ATOM 376 N ARG A 26 -4.922 15.450 -2.831 1.00 41.42 N ATOM 377 CA ARG A 26 -6.076 14.839 -2.134 1.00 31.12 C ATOM 378 C ARG A 26 -5.896 13.303 -2.018 1.00 64.04 C ATOM 379 O ARG A 26 -6.150 12.715 -0.961 1.00 32.13 O ATOM 380 CB ARG A 26 -7.390 15.178 -2.884 1.00 14.11 C ATOM 381 CG ARG A 26 -8.676 14.553 -2.297 1.00 51.03 C ATOM 382 CD ARG A 26 -8.999 15.016 -0.865 1.00 73.32 C ATOM 383 NE ARG A 26 -10.258 14.420 -0.380 1.00 24.15 N ATOM 384 CZ ARG A 26 -10.831 14.667 0.782 1.00 55.13 C ATOM 385 NH1 ARG A 26 -10.330 15.532 1.616 1.00 30.31 N ATOM 386 NH2 ARG A 26 -11.922 14.046 1.094 1.00 52.51 N ATOM 0 H ARG A 26 -5.156 15.844 -3.742 1.00 41.42 H new ATOM 0 HA ARG A 26 -6.131 15.250 -1.126 1.00 31.12 H new ATOM 0 HB2 ARG A 26 -7.509 16.261 -2.900 1.00 14.11 H new ATOM 0 HB3 ARG A 26 -7.290 14.853 -3.920 1.00 14.11 H new ATOM 0 HG2 ARG A 26 -9.516 14.799 -2.946 1.00 51.03 H new ATOM 0 HG3 ARG A 26 -8.576 13.468 -2.303 1.00 51.03 H new ATOM 0 HD2 ARG A 26 -8.183 14.739 -0.198 1.00 73.32 H new ATOM 0 HD3 ARG A 26 -9.076 16.103 -0.841 1.00 73.32 H new ATOM 0 HE ARG A 26 -10.727 13.758 -0.998 1.00 24.15 H new ATOM 0 HH11 ARG A 26 -9.476 16.036 1.377 1.00 30.31 H new ATOM 0 HH12 ARG A 26 -10.791 15.706 2.509 1.00 30.31 H new ATOM 0 HH21 ARG A 26 -12.330 13.374 0.444 1.00 52.51 H new ATOM 0 HH22 ARG A 26 -12.374 14.229 1.990 1.00 52.51 H new ATOM 400 N VAL A 27 -5.452 12.670 -3.118 1.00 33.31 N ATOM 401 CA VAL A 27 -5.132 11.220 -3.143 1.00 63.12 C ATOM 402 C VAL A 27 -3.815 10.937 -2.359 1.00 55.25 C ATOM 403 O VAL A 27 -3.620 9.851 -1.834 1.00 30.01 O ATOM 404 CB VAL A 27 -5.038 10.654 -4.617 1.00 62.32 C ATOM 405 CG1 VAL A 27 -4.968 9.099 -4.625 1.00 12.52 C ATOM 406 CG2 VAL A 27 -6.215 11.161 -5.497 1.00 74.33 C ATOM 0 H VAL A 27 -5.304 13.139 -4.012 1.00 33.31 H new ATOM 0 HA VAL A 27 -5.954 10.699 -2.652 1.00 63.12 H new ATOM 0 HB VAL A 27 -4.112 11.032 -5.050 1.00 62.32 H new ATOM 0 HG11 VAL A 27 -4.904 8.743 -5.653 1.00 12.52 H new ATOM 0 HG12 VAL A 27 -4.087 8.772 -4.072 1.00 12.52 H new ATOM 0 HG13 VAL A 27 -5.863 8.692 -4.155 1.00 12.52 H new ATOM 0 HG21 VAL A 27 -6.119 10.753 -6.503 1.00 74.33 H new ATOM 0 HG22 VAL A 27 -7.160 10.836 -5.062 1.00 74.33 H new ATOM 0 HG23 VAL A 27 -6.192 12.250 -5.543 1.00 74.33 H new ATOM 416 N TRP A 28 -2.897 11.919 -2.328 1.00 31.54 N ATOM 417 CA TRP A 28 -1.656 11.858 -1.509 1.00 10.50 C ATOM 418 C TRP A 28 -1.960 11.922 0.013 1.00 24.25 C ATOM 419 O TRP A 28 -1.232 11.333 0.819 1.00 2.40 O ATOM 420 CB TRP A 28 -0.708 13.020 -1.916 1.00 62.51 C ATOM 421 CG TRP A 28 0.616 13.058 -1.181 1.00 21.10 C ATOM 422 CD1 TRP A 28 0.970 13.880 -0.141 1.00 10.44 C ATOM 423 CD2 TRP A 28 1.763 12.237 -1.447 1.00 53.11 C ATOM 424 NE1 TRP A 28 2.257 13.615 0.247 1.00 3.44 N ATOM 425 CE2 TRP A 28 2.766 12.614 -0.537 1.00 42.52 C ATOM 426 CE3 TRP A 28 2.032 11.219 -2.360 1.00 70.32 C ATOM 427 CZ2 TRP A 28 4.021 12.019 -0.526 1.00 51.25 C ATOM 428 CZ3 TRP A 28 3.276 10.631 -2.350 1.00 35.54 C ATOM 429 CH2 TRP A 28 4.258 11.029 -1.433 1.00 12.43 C ATOM 0 H TRP A 28 -2.987 12.780 -2.867 1.00 31.54 H new ATOM 0 HA TRP A 28 -1.172 10.901 -1.702 1.00 10.50 H new ATOM 0 HB2 TRP A 28 -0.510 12.949 -2.985 1.00 62.51 H new ATOM 0 HB3 TRP A 28 -1.225 13.965 -1.750 1.00 62.51 H new ATOM 0 HD1 TRP A 28 0.329 14.626 0.306 1.00 10.44 H new ATOM 0 HE1 TRP A 28 2.757 14.088 1.000 1.00 3.44 H new ATOM 0 HE3 TRP A 28 1.278 10.897 -3.063 1.00 70.32 H new ATOM 0 HZ2 TRP A 28 4.781 12.329 0.175 1.00 51.25 H new ATOM 0 HZ3 TRP A 28 3.499 9.849 -3.061 1.00 35.54 H new ATOM 0 HH2 TRP A 28 5.222 10.542 -1.445 1.00 12.43 H new ATOM 440 N ALA A 29 -3.037 12.650 0.378 1.00 21.54 N ATOM 441 CA ALA A 29 -3.437 12.882 1.789 1.00 31.12 C ATOM 442 C ALA A 29 -3.685 11.575 2.579 1.00 70.14 C ATOM 443 O ALA A 29 -3.417 11.512 3.777 1.00 42.15 O ATOM 444 CB ALA A 29 -4.687 13.774 1.838 1.00 35.12 C ATOM 0 H ALA A 29 -3.658 13.096 -0.297 1.00 21.54 H new ATOM 0 HA ALA A 29 -2.599 13.382 2.274 1.00 31.12 H new ATOM 0 HB1 ALA A 29 -4.975 13.940 2.876 1.00 35.12 H new ATOM 0 HB2 ALA A 29 -4.470 14.731 1.364 1.00 35.12 H new ATOM 0 HB3 ALA A 29 -5.504 13.284 1.309 1.00 35.12 H new ATOM 450 N ILE A 30 -4.186 10.532 1.887 1.00 60.34 N ATOM 451 CA ILE A 30 -4.442 9.205 2.501 1.00 21.04 C ATOM 452 C ILE A 30 -3.123 8.498 2.920 1.00 22.11 C ATOM 453 O ILE A 30 -3.134 7.651 3.790 1.00 10.44 O ATOM 454 CB ILE A 30 -5.251 8.266 1.529 1.00 24.24 C ATOM 455 CG1 ILE A 30 -4.361 7.827 0.329 1.00 64.35 C ATOM 456 CG2 ILE A 30 -6.551 8.950 1.055 1.00 13.25 C ATOM 457 CD1 ILE A 30 -5.040 7.038 -0.757 1.00 23.35 C ATOM 0 H ILE A 30 -4.424 10.580 0.896 1.00 60.34 H new ATOM 0 HA ILE A 30 -5.038 9.389 3.395 1.00 21.04 H new ATOM 0 HB ILE A 30 -5.539 7.368 2.075 1.00 24.24 H new ATOM 0 HG12 ILE A 30 -3.927 8.721 -0.119 1.00 64.35 H new ATOM 0 HG13 ILE A 30 -3.534 7.232 0.717 1.00 64.35 H new ATOM 0 HG21 ILE A 30 -7.091 8.281 0.385 1.00 13.25 H new ATOM 0 HG22 ILE A 30 -7.176 9.182 1.918 1.00 13.25 H new ATOM 0 HG23 ILE A 30 -6.306 9.871 0.527 1.00 13.25 H new ATOM 0 HD11 ILE A 30 -4.317 6.792 -1.535 1.00 23.35 H new ATOM 0 HD12 ILE A 30 -5.448 6.119 -0.338 1.00 23.35 H new ATOM 0 HD13 ILE A 30 -5.847 7.631 -1.187 1.00 23.35 H new ATOM 469 N TRP A 31 -2.005 8.839 2.253 1.00 42.12 N ATOM 470 CA TRP A 31 -0.668 8.270 2.549 1.00 2.04 C ATOM 471 C TRP A 31 0.063 9.097 3.624 1.00 41.51 C ATOM 472 O TRP A 31 0.718 8.543 4.517 1.00 33.15 O ATOM 473 CB TRP A 31 0.186 8.218 1.253 1.00 14.44 C ATOM 474 CG TRP A 31 -0.407 7.339 0.169 1.00 25.13 C ATOM 475 CD1 TRP A 31 -1.063 7.737 -0.970 1.00 0.45 C ATOM 476 CD2 TRP A 31 -0.400 5.906 0.141 1.00 22.24 C ATOM 477 NE1 TRP A 31 -1.467 6.637 -1.687 1.00 23.32 N ATOM 478 CE2 TRP A 31 -1.066 5.502 -1.029 1.00 63.35 C ATOM 479 CE3 TRP A 31 0.113 4.925 0.999 1.00 52.33 C ATOM 480 CZ2 TRP A 31 -1.232 4.161 -1.363 1.00 14.22 C ATOM 481 CZ3 TRP A 31 -0.051 3.597 0.667 1.00 50.11 C ATOM 482 CH2 TRP A 31 -0.719 3.222 -0.503 1.00 65.34 C ATOM 0 H TRP A 31 -1.998 9.518 1.492 1.00 42.12 H new ATOM 0 HA TRP A 31 -0.808 7.259 2.932 1.00 2.04 H new ATOM 0 HB2 TRP A 31 0.304 9.230 0.865 1.00 14.44 H new ATOM 0 HB3 TRP A 31 1.183 7.853 1.500 1.00 14.44 H new ATOM 0 HD1 TRP A 31 -1.236 8.763 -1.259 1.00 0.45 H new ATOM 0 HE1 TRP A 31 -1.982 6.660 -2.567 1.00 23.32 H new ATOM 0 HE3 TRP A 31 0.629 5.204 1.906 1.00 52.33 H new ATOM 0 HZ2 TRP A 31 -1.746 3.870 -2.267 1.00 14.22 H new ATOM 0 HZ3 TRP A 31 0.343 2.834 1.321 1.00 50.11 H new ATOM 0 HH2 TRP A 31 -0.834 2.173 -0.734 1.00 65.34 H new ATOM 493 N GLU A 32 -0.056 10.432 3.511 1.00 75.54 N ATOM 494 CA GLU A 32 0.656 11.393 4.372 1.00 31.13 C ATOM 495 C GLU A 32 0.039 11.461 5.791 1.00 21.25 C ATOM 496 O GLU A 32 0.762 11.504 6.795 1.00 55.42 O ATOM 497 CB GLU A 32 0.665 12.789 3.691 1.00 44.21 C ATOM 498 CG GLU A 32 1.541 13.836 4.404 1.00 21.34 C ATOM 499 CD GLU A 32 1.712 15.132 3.605 1.00 61.12 C ATOM 500 OE1 GLU A 32 2.632 15.205 2.761 1.00 53.01 O ATOM 501 OE2 GLU A 32 0.927 16.080 3.813 1.00 31.44 O ATOM 0 H GLU A 32 -0.653 10.877 2.814 1.00 75.54 H new ATOM 0 HA GLU A 32 1.684 11.052 4.497 1.00 31.13 H new ATOM 0 HB2 GLU A 32 1.015 12.677 2.665 1.00 44.21 H new ATOM 0 HB3 GLU A 32 -0.358 13.162 3.640 1.00 44.21 H new ATOM 0 HG2 GLU A 32 1.099 14.070 5.372 1.00 21.34 H new ATOM 0 HG3 GLU A 32 2.523 13.405 4.598 1.00 21.34 H new ATOM 508 N ASP A 33 -1.298 11.465 5.856 1.00 60.30 N ATOM 509 CA ASP A 33 -2.049 11.466 7.126 1.00 54.51 C ATOM 510 C ASP A 33 -2.305 10.014 7.620 1.00 63.13 C ATOM 511 O ASP A 33 -3.009 9.252 6.948 1.00 71.23 O ATOM 512 CB ASP A 33 -3.382 12.222 6.950 1.00 24.32 C ATOM 513 CG ASP A 33 -3.180 13.723 6.719 1.00 31.34 C ATOM 514 OD1 ASP A 33 -2.989 14.146 5.557 1.00 32.34 O ATOM 515 OD2 ASP A 33 -3.185 14.487 7.710 1.00 71.50 O ATOM 0 H ASP A 33 -1.895 11.468 5.029 1.00 60.30 H new ATOM 0 HA ASP A 33 -1.452 11.977 7.881 1.00 54.51 H new ATOM 0 HB2 ASP A 33 -3.928 11.798 6.107 1.00 24.32 H new ATOM 0 HB3 ASP A 33 -3.999 12.074 7.836 1.00 24.32 H new ATOM 520 N PRO A 34 -1.745 9.614 8.812 1.00 52.23 N ATOM 521 CA PRO A 34 -1.903 8.236 9.362 1.00 53.44 C ATOM 522 C PRO A 34 -3.368 7.846 9.695 1.00 71.13 C ATOM 523 O PRO A 34 -3.745 6.687 9.532 1.00 71.23 O ATOM 524 CB PRO A 34 -1.025 8.250 10.640 1.00 72.35 C ATOM 525 CG PRO A 34 -0.900 9.702 11.007 1.00 53.33 C ATOM 526 CD PRO A 34 -0.884 10.451 9.694 1.00 22.34 C ATOM 0 HA PRO A 34 -1.605 7.489 8.627 1.00 53.44 H new ATOM 0 HB2 PRO A 34 -1.488 7.678 11.444 1.00 72.35 H new ATOM 0 HB3 PRO A 34 -0.048 7.804 10.453 1.00 72.35 H new ATOM 0 HG2 PRO A 34 -1.734 10.022 11.631 1.00 53.33 H new ATOM 0 HG3 PRO A 34 0.012 9.886 11.575 1.00 53.33 H new ATOM 0 HD2 PRO A 34 -1.280 11.461 9.802 1.00 22.34 H new ATOM 0 HD3 PRO A 34 0.127 10.546 9.297 1.00 22.34 H new ATOM 534 N ARG A 35 -4.173 8.817 10.170 1.00 25.02 N ATOM 535 CA ARG A 35 -5.612 8.588 10.495 1.00 62.43 C ATOM 536 C ARG A 35 -6.445 8.293 9.222 1.00 21.22 C ATOM 537 O ARG A 35 -7.369 7.466 9.258 1.00 63.51 O ATOM 538 CB ARG A 35 -6.216 9.792 11.285 1.00 11.43 C ATOM 539 CG ARG A 35 -5.964 9.808 12.822 1.00 34.31 C ATOM 540 CD ARG A 35 -4.473 9.813 13.239 1.00 61.35 C ATOM 541 NE ARG A 35 -3.888 8.455 13.297 1.00 41.22 N ATOM 542 CZ ARG A 35 -2.732 8.147 13.838 1.00 12.25 C ATOM 543 NH1 ARG A 35 -1.949 9.046 14.337 1.00 1.41 N ATOM 544 NH2 ARG A 35 -2.356 6.925 13.863 1.00 32.13 N ATOM 0 H ARG A 35 -3.859 9.772 10.340 1.00 25.02 H new ATOM 0 HA ARG A 35 -5.659 7.707 11.135 1.00 62.43 H new ATOM 0 HB2 ARG A 35 -5.814 10.713 10.863 1.00 11.43 H new ATOM 0 HB3 ARG A 35 -7.293 9.807 11.115 1.00 11.43 H new ATOM 0 HG2 ARG A 35 -6.447 10.688 13.245 1.00 34.31 H new ATOM 0 HG3 ARG A 35 -6.447 8.936 13.264 1.00 34.31 H new ATOM 0 HD2 ARG A 35 -3.905 10.418 12.532 1.00 61.35 H new ATOM 0 HD3 ARG A 35 -4.375 10.287 14.215 1.00 61.35 H new ATOM 0 HE ARG A 35 -4.428 7.695 12.882 1.00 41.22 H new ATOM 0 HH11 ARG A 35 -2.223 10.028 14.318 1.00 1.41 H new ATOM 0 HH12 ARG A 35 -1.057 8.773 14.750 1.00 1.41 H new ATOM 0 HH21 ARG A 35 -2.952 6.200 13.465 1.00 32.13 H new ATOM 0 HH22 ARG A 35 -1.460 6.676 14.281 1.00 32.13 H new ATOM 558 N GLN A 36 -6.125 8.979 8.104 1.00 1.01 N ATOM 559 CA GLN A 36 -6.763 8.703 6.794 1.00 10.33 C ATOM 560 C GLN A 36 -6.305 7.337 6.241 1.00 50.05 C ATOM 561 O GLN A 36 -7.106 6.591 5.685 1.00 22.22 O ATOM 562 CB GLN A 36 -6.448 9.824 5.768 1.00 41.33 C ATOM 563 CG GLN A 36 -6.935 11.228 6.179 1.00 51.21 C ATOM 564 CD GLN A 36 -6.727 12.297 5.098 1.00 32.12 C ATOM 565 OE1 GLN A 36 -6.783 12.019 3.904 1.00 52.21 O ATOM 566 NE2 GLN A 36 -6.468 13.526 5.509 1.00 50.20 N ATOM 0 H GLN A 36 -5.431 9.726 8.080 1.00 1.01 H new ATOM 0 HA GLN A 36 -7.841 8.676 6.952 1.00 10.33 H new ATOM 0 HB2 GLN A 36 -5.370 9.860 5.609 1.00 41.33 H new ATOM 0 HB3 GLN A 36 -6.902 9.562 4.813 1.00 41.33 H new ATOM 0 HG2 GLN A 36 -7.995 11.176 6.427 1.00 51.21 H new ATOM 0 HG3 GLN A 36 -6.411 11.534 7.084 1.00 51.21 H new ATOM 0 HE21 GLN A 36 -6.427 13.732 6.507 1.00 50.20 H new ATOM 0 HE22 GLN A 36 -6.309 14.269 4.828 1.00 50.20 H new ATOM 575 N LEU A 37 -5.010 7.026 6.446 1.00 20.25 N ATOM 576 CA LEU A 37 -4.369 5.781 5.964 1.00 70.03 C ATOM 577 C LEU A 37 -4.988 4.517 6.600 1.00 63.03 C ATOM 578 O LEU A 37 -5.450 3.629 5.891 1.00 72.33 O ATOM 579 CB LEU A 37 -2.853 5.860 6.281 1.00 74.24 C ATOM 580 CG LEU A 37 -1.967 4.638 5.887 1.00 60.12 C ATOM 581 CD1 LEU A 37 -2.037 4.308 4.382 1.00 54.35 C ATOM 582 CD2 LEU A 37 -0.516 4.882 6.322 1.00 42.13 C ATOM 0 H LEU A 37 -4.371 7.636 6.956 1.00 20.25 H new ATOM 0 HA LEU A 37 -4.533 5.697 4.890 1.00 70.03 H new ATOM 0 HB2 LEU A 37 -2.451 6.741 5.781 1.00 74.24 H new ATOM 0 HB3 LEU A 37 -2.742 6.023 7.353 1.00 74.24 H new ATOM 0 HG LEU A 37 -2.364 3.769 6.412 1.00 60.12 H new ATOM 0 HD11 LEU A 37 -1.401 3.449 4.168 1.00 54.35 H new ATOM 0 HD12 LEU A 37 -3.066 4.074 4.108 1.00 54.35 H new ATOM 0 HD13 LEU A 37 -1.694 5.167 3.805 1.00 54.35 H new ATOM 0 HD21 LEU A 37 0.096 4.024 6.043 1.00 42.13 H new ATOM 0 HD22 LEU A 37 -0.134 5.776 5.829 1.00 42.13 H new ATOM 0 HD23 LEU A 37 -0.478 5.019 7.403 1.00 42.13 H new ATOM 594 N GLU A 38 -5.052 4.496 7.942 1.00 62.14 N ATOM 595 CA GLU A 38 -5.548 3.334 8.728 1.00 1.23 C ATOM 596 C GLU A 38 -7.056 3.063 8.502 1.00 61.11 C ATOM 597 O GLU A 38 -7.535 1.943 8.710 1.00 3.23 O ATOM 598 CB GLU A 38 -5.256 3.567 10.230 1.00 65.43 C ATOM 599 CG GLU A 38 -5.970 4.784 10.846 1.00 31.04 C ATOM 600 CD GLU A 38 -5.551 5.073 12.294 1.00 40.04 C ATOM 601 OE1 GLU A 38 -4.350 5.311 12.529 1.00 52.14 O ATOM 602 OE2 GLU A 38 -6.414 5.071 13.195 1.00 22.14 O ATOM 0 H GLU A 38 -4.762 5.283 8.522 1.00 62.14 H new ATOM 0 HA GLU A 38 -5.018 2.447 8.381 1.00 1.23 H new ATOM 0 HB2 GLU A 38 -5.546 2.675 10.785 1.00 65.43 H new ATOM 0 HB3 GLU A 38 -4.181 3.689 10.362 1.00 65.43 H new ATOM 0 HG2 GLU A 38 -5.765 5.663 10.235 1.00 31.04 H new ATOM 0 HG3 GLU A 38 -7.047 4.618 10.814 1.00 31.04 H new ATOM 609 N ARG A 39 -7.778 4.112 8.061 1.00 4.01 N ATOM 610 CA ARG A 39 -9.211 4.049 7.716 1.00 63.21 C ATOM 611 C ARG A 39 -9.490 3.063 6.537 1.00 13.00 C ATOM 612 O ARG A 39 -10.548 2.419 6.501 1.00 62.53 O ATOM 613 CB ARG A 39 -9.708 5.511 7.411 1.00 72.22 C ATOM 614 CG ARG A 39 -10.896 5.632 6.431 1.00 13.34 C ATOM 615 CD ARG A 39 -11.410 7.088 6.240 1.00 23.10 C ATOM 616 NE ARG A 39 -12.542 7.433 7.122 1.00 45.52 N ATOM 617 CZ ARG A 39 -13.505 8.290 6.815 1.00 41.55 C ATOM 618 NH1 ARG A 39 -13.488 8.946 5.689 1.00 14.11 N ATOM 619 NH2 ARG A 39 -14.485 8.488 7.635 1.00 1.30 N ATOM 0 H ARG A 39 -7.375 5.040 7.933 1.00 4.01 H new ATOM 0 HA ARG A 39 -9.774 3.648 8.559 1.00 63.21 H new ATOM 0 HB2 ARG A 39 -9.990 5.981 8.353 1.00 72.22 H new ATOM 0 HB3 ARG A 39 -8.871 6.081 7.008 1.00 72.22 H new ATOM 0 HG2 ARG A 39 -10.597 5.233 5.462 1.00 13.34 H new ATOM 0 HG3 ARG A 39 -11.717 5.012 6.792 1.00 13.34 H new ATOM 0 HD2 ARG A 39 -10.590 7.782 6.426 1.00 23.10 H new ATOM 0 HD3 ARG A 39 -11.714 7.225 5.202 1.00 23.10 H new ATOM 0 HE ARG A 39 -12.586 6.979 8.034 1.00 45.52 H new ATOM 0 HH11 ARG A 39 -12.725 8.804 5.027 1.00 14.11 H new ATOM 0 HH12 ARG A 39 -14.238 9.602 5.469 1.00 14.11 H new ATOM 0 HH21 ARG A 39 -14.518 7.984 8.521 1.00 1.30 H new ATOM 0 HH22 ARG A 39 -15.225 9.148 7.396 1.00 1.30 H new ATOM 633 N TRP A 40 -8.532 2.933 5.594 1.00 24.03 N ATOM 634 CA TRP A 40 -8.688 2.045 4.405 1.00 41.23 C ATOM 635 C TRP A 40 -7.599 0.948 4.323 1.00 61.24 C ATOM 636 O TRP A 40 -7.718 0.038 3.504 1.00 22.43 O ATOM 637 CB TRP A 40 -8.687 2.889 3.100 1.00 11.35 C ATOM 638 CG TRP A 40 -7.388 3.626 2.831 1.00 24.44 C ATOM 639 CD1 TRP A 40 -7.055 4.889 3.224 1.00 53.23 C ATOM 640 CD2 TRP A 40 -6.256 3.137 2.093 1.00 72.02 C ATOM 641 NE1 TRP A 40 -5.789 5.203 2.798 1.00 12.40 N ATOM 642 CE2 TRP A 40 -5.286 4.148 2.092 1.00 72.14 C ATOM 643 CE3 TRP A 40 -5.980 1.938 1.439 1.00 52.31 C ATOM 644 CZ2 TRP A 40 -4.062 3.995 1.456 1.00 71.14 C ATOM 645 CZ3 TRP A 40 -4.771 1.784 0.811 1.00 1.44 C ATOM 646 CH2 TRP A 40 -3.827 2.808 0.822 1.00 55.51 C ATOM 0 H TRP A 40 -7.641 3.428 5.626 1.00 24.03 H new ATOM 0 HA TRP A 40 -9.645 1.537 4.518 1.00 41.23 H new ATOM 0 HB2 TRP A 40 -8.899 2.232 2.257 1.00 11.35 H new ATOM 0 HB3 TRP A 40 -9.499 3.615 3.151 1.00 11.35 H new ATOM 0 HD1 TRP A 40 -7.697 5.548 3.790 1.00 53.23 H new ATOM 0 HE1 TRP A 40 -5.303 6.081 2.979 1.00 12.40 H new ATOM 0 HE3 TRP A 40 -6.709 1.141 1.427 1.00 52.31 H new ATOM 0 HZ2 TRP A 40 -3.324 4.784 1.462 1.00 71.14 H new ATOM 0 HZ3 TRP A 40 -4.548 0.858 0.302 1.00 1.44 H new ATOM 0 HH2 TRP A 40 -2.884 2.660 0.316 1.00 55.51 H new ATOM 657 N TRP A 41 -6.533 1.064 5.145 1.00 72.31 N ATOM 658 CA TRP A 41 -5.342 0.176 5.070 1.00 0.11 C ATOM 659 C TRP A 41 -5.711 -1.281 5.467 1.00 25.11 C ATOM 660 O TRP A 41 -5.833 -1.611 6.653 1.00 34.30 O ATOM 661 CB TRP A 41 -4.208 0.750 5.963 1.00 10.04 C ATOM 662 CG TRP A 41 -2.835 0.153 5.737 1.00 1.55 C ATOM 663 CD1 TRP A 41 -2.060 -0.512 6.648 1.00 40.11 C ATOM 664 CD2 TRP A 41 -2.073 0.176 4.516 1.00 40.43 C ATOM 665 NE1 TRP A 41 -0.864 -0.866 6.081 1.00 20.44 N ATOM 666 CE2 TRP A 41 -0.853 -0.468 4.775 1.00 41.33 C ATOM 667 CE3 TRP A 41 -2.300 0.684 3.233 1.00 74.22 C ATOM 668 CZ2 TRP A 41 0.129 -0.621 3.804 1.00 53.22 C ATOM 669 CZ3 TRP A 41 -1.328 0.528 2.270 1.00 11.14 C ATOM 670 CH2 TRP A 41 -0.124 -0.118 2.557 1.00 44.31 C ATOM 0 H TRP A 41 -6.470 1.771 5.877 1.00 72.31 H new ATOM 0 HA TRP A 41 -4.982 0.142 4.042 1.00 0.11 H new ATOM 0 HB2 TRP A 41 -4.149 1.826 5.798 1.00 10.04 H new ATOM 0 HB3 TRP A 41 -4.482 0.602 7.008 1.00 10.04 H new ATOM 0 HD1 TRP A 41 -2.349 -0.727 7.666 1.00 40.11 H new ATOM 0 HE1 TRP A 41 -0.103 -1.350 6.558 1.00 20.44 H new ATOM 0 HE3 TRP A 41 -3.225 1.192 3.001 1.00 74.22 H new ATOM 0 HZ2 TRP A 41 1.061 -1.120 4.026 1.00 53.22 H new ATOM 0 HZ3 TRP A 41 -1.500 0.912 1.275 1.00 11.14 H new ATOM 0 HH2 TRP A 41 0.620 -0.222 1.781 1.00 44.31 H new ATOM 681 N GLY A 42 -5.914 -2.127 4.438 1.00 64.32 N ATOM 682 CA GLY A 42 -6.438 -3.494 4.602 1.00 42.03 C ATOM 683 C GLY A 42 -7.842 -3.655 3.989 1.00 35.33 C ATOM 684 O GLY A 42 -8.450 -2.666 3.567 1.00 52.24 O ATOM 0 H GLY A 42 -5.718 -1.879 3.468 1.00 64.32 H new ATOM 0 HA2 GLY A 42 -5.755 -4.202 4.133 1.00 42.03 H new ATOM 0 HA3 GLY A 42 -6.476 -3.742 5.663 1.00 42.03 H new ATOM 688 N PRO A 43 -8.402 -4.903 3.920 1.00 4.33 N ATOM 689 CA PRO A 43 -9.771 -5.136 3.372 1.00 15.14 C ATOM 690 C PRO A 43 -10.892 -4.564 4.303 1.00 12.55 C ATOM 691 O PRO A 43 -10.619 -4.230 5.461 1.00 71.10 O ATOM 692 CB PRO A 43 -9.835 -6.690 3.261 1.00 71.13 C ATOM 693 CG PRO A 43 -8.898 -7.177 4.327 1.00 32.13 C ATOM 694 CD PRO A 43 -7.759 -6.172 4.362 1.00 13.43 C ATOM 0 HA PRO A 43 -9.942 -4.629 2.422 1.00 15.14 H new ATOM 0 HB2 PRO A 43 -10.848 -7.059 3.423 1.00 71.13 H new ATOM 0 HB3 PRO A 43 -9.526 -7.031 2.273 1.00 71.13 H new ATOM 0 HG2 PRO A 43 -9.400 -7.234 5.293 1.00 32.13 H new ATOM 0 HG3 PRO A 43 -8.531 -8.178 4.099 1.00 32.13 H new ATOM 0 HD2 PRO A 43 -7.335 -6.080 5.362 1.00 13.43 H new ATOM 0 HD3 PRO A 43 -6.946 -6.463 3.697 1.00 13.43 H new ATOM 702 N PRO A 44 -12.173 -4.418 3.801 1.00 32.21 N ATOM 703 CA PRO A 44 -13.336 -3.939 4.632 1.00 64.40 C ATOM 704 C PRO A 44 -13.549 -4.715 5.969 1.00 20.01 C ATOM 705 O PRO A 44 -14.155 -4.196 6.912 1.00 20.52 O ATOM 706 CB PRO A 44 -14.547 -4.133 3.678 1.00 32.32 C ATOM 707 CG PRO A 44 -13.956 -3.997 2.304 1.00 11.14 C ATOM 708 CD PRO A 44 -12.588 -4.647 2.383 1.00 53.32 C ATOM 0 HA PRO A 44 -13.179 -2.914 4.968 1.00 64.40 H new ATOM 0 HB2 PRO A 44 -15.012 -5.109 3.817 1.00 32.32 H new ATOM 0 HB3 PRO A 44 -15.319 -3.384 3.856 1.00 32.32 H new ATOM 0 HG2 PRO A 44 -14.581 -4.488 1.558 1.00 11.14 H new ATOM 0 HG3 PRO A 44 -13.876 -2.949 2.013 1.00 11.14 H new ATOM 0 HD2 PRO A 44 -12.634 -5.710 2.145 1.00 53.32 H new ATOM 0 HD3 PRO A 44 -11.887 -4.194 1.682 1.00 53.32 H new ATOM 716 N THR A 45 -13.050 -5.963 6.020 1.00 42.35 N ATOM 717 CA THR A 45 -13.122 -6.840 7.217 1.00 63.35 C ATOM 718 C THR A 45 -11.973 -6.566 8.230 1.00 14.01 C ATOM 719 O THR A 45 -12.137 -6.796 9.432 1.00 41.43 O ATOM 720 CB THR A 45 -13.090 -8.344 6.788 1.00 34.23 C ATOM 721 OG1 THR A 45 -11.953 -8.573 5.935 1.00 5.41 O ATOM 722 CG2 THR A 45 -14.372 -8.766 6.044 1.00 41.12 C ATOM 0 H THR A 45 -12.580 -6.401 5.228 1.00 42.35 H new ATOM 0 HA THR A 45 -14.063 -6.613 7.717 1.00 63.35 H new ATOM 0 HB THR A 45 -13.019 -8.943 7.696 1.00 34.23 H new ATOM 0 HG1 THR A 45 -11.930 -9.515 5.666 1.00 5.41 H new ATOM 0 HG21 THR A 45 -14.302 -9.818 5.767 1.00 41.12 H new ATOM 0 HG22 THR A 45 -15.235 -8.618 6.693 1.00 41.12 H new ATOM 0 HG23 THR A 45 -14.487 -8.161 5.145 1.00 41.12 H new ATOM 730 N TRP A 46 -10.810 -6.080 7.737 1.00 33.42 N ATOM 731 CA TRP A 46 -9.602 -5.797 8.575 1.00 14.45 C ATOM 732 C TRP A 46 -9.155 -4.299 8.460 1.00 5.24 C ATOM 733 O TRP A 46 -8.294 -3.970 7.630 1.00 2.04 O ATOM 734 CB TRP A 46 -8.421 -6.733 8.165 1.00 54.40 C ATOM 735 CG TRP A 46 -8.614 -8.202 8.480 1.00 34.52 C ATOM 736 CD1 TRP A 46 -9.431 -9.093 7.839 1.00 2.52 C ATOM 737 CD2 TRP A 46 -7.942 -8.960 9.500 1.00 33.12 C ATOM 738 NE1 TRP A 46 -9.343 -10.326 8.430 1.00 34.50 N ATOM 739 CE2 TRP A 46 -8.430 -10.274 9.438 1.00 43.45 C ATOM 740 CE3 TRP A 46 -6.988 -8.651 10.464 1.00 1.54 C ATOM 741 CZ2 TRP A 46 -8.000 -11.273 10.299 1.00 51.10 C ATOM 742 CZ3 TRP A 46 -6.556 -9.643 11.319 1.00 43.11 C ATOM 743 CH2 TRP A 46 -7.063 -10.942 11.234 1.00 12.34 C ATOM 0 H TRP A 46 -10.674 -5.870 6.748 1.00 33.42 H new ATOM 0 HA TRP A 46 -9.874 -5.991 9.613 1.00 14.45 H new ATOM 0 HB2 TRP A 46 -8.252 -6.628 7.093 1.00 54.40 H new ATOM 0 HB3 TRP A 46 -7.516 -6.388 8.665 1.00 54.40 H new ATOM 0 HD1 TRP A 46 -10.055 -8.858 6.990 1.00 2.52 H new ATOM 0 HE1 TRP A 46 -9.877 -11.151 8.158 1.00 34.50 H new ATOM 0 HE3 TRP A 46 -6.592 -7.649 10.542 1.00 1.54 H new ATOM 0 HZ2 TRP A 46 -8.393 -12.277 10.232 1.00 51.10 H new ATOM 0 HZ3 TRP A 46 -5.813 -9.412 12.068 1.00 43.11 H new ATOM 0 HH2 TRP A 46 -6.707 -11.697 11.920 1.00 12.34 H new ATOM 754 N PRO A 47 -9.766 -3.358 9.256 1.00 41.15 N ATOM 755 CA PRO A 47 -9.287 -1.947 9.352 1.00 54.22 C ATOM 756 C PRO A 47 -8.020 -1.802 10.252 1.00 11.11 C ATOM 757 O PRO A 47 -7.952 -2.384 11.347 1.00 12.41 O ATOM 758 CB PRO A 47 -10.511 -1.212 9.960 1.00 62.35 C ATOM 759 CG PRO A 47 -11.185 -2.257 10.812 1.00 54.04 C ATOM 760 CD PRO A 47 -10.992 -3.574 10.078 1.00 74.54 C ATOM 0 HA PRO A 47 -8.970 -1.544 8.390 1.00 54.22 H new ATOM 0 HB2 PRO A 47 -10.204 -0.351 10.554 1.00 62.35 H new ATOM 0 HB3 PRO A 47 -11.179 -0.841 9.183 1.00 62.35 H new ATOM 0 HG2 PRO A 47 -10.743 -2.295 11.807 1.00 54.04 H new ATOM 0 HG3 PRO A 47 -12.244 -2.033 10.942 1.00 54.04 H new ATOM 0 HD2 PRO A 47 -10.864 -4.403 10.774 1.00 74.54 H new ATOM 0 HD3 PRO A 47 -11.853 -3.812 9.454 1.00 74.54 H new ATOM 768 N ALA A 48 -7.023 -1.018 9.792 1.00 31.35 N ATOM 769 CA ALA A 48 -5.741 -0.844 10.518 1.00 44.12 C ATOM 770 C ALA A 48 -5.812 0.250 11.610 1.00 14.22 C ATOM 771 O ALA A 48 -6.787 1.004 11.708 1.00 42.33 O ATOM 772 CB ALA A 48 -4.612 -0.531 9.525 1.00 42.25 C ATOM 0 H ALA A 48 -7.079 -0.493 8.919 1.00 31.35 H new ATOM 0 HA ALA A 48 -5.534 -1.785 11.028 1.00 44.12 H new ATOM 0 HB1 ALA A 48 -3.675 -0.405 10.067 1.00 42.25 H new ATOM 0 HB2 ALA A 48 -4.513 -1.353 8.816 1.00 42.25 H new ATOM 0 HB3 ALA A 48 -4.846 0.387 8.986 1.00 42.25 H new ATOM 778 N THR A 49 -4.753 0.305 12.440 1.00 4.22 N ATOM 779 CA THR A 49 -4.544 1.361 13.457 1.00 15.24 C ATOM 780 C THR A 49 -3.028 1.609 13.621 1.00 22.01 C ATOM 781 O THR A 49 -2.303 0.722 14.090 1.00 31.02 O ATOM 782 CB THR A 49 -5.172 0.976 14.848 1.00 30.03 C ATOM 783 OG1 THR A 49 -6.596 0.812 14.731 1.00 13.35 O ATOM 784 CG2 THR A 49 -4.878 2.025 15.937 1.00 54.55 C ATOM 0 H THR A 49 -4.007 -0.391 12.425 1.00 4.22 H new ATOM 0 HA THR A 49 -5.045 2.266 13.113 1.00 15.24 H new ATOM 0 HB THR A 49 -4.708 0.036 15.147 1.00 30.03 H new ATOM 0 HG1 THR A 49 -6.871 0.992 13.808 1.00 13.35 H new ATOM 0 HG21 THR A 49 -5.333 1.712 16.876 1.00 54.55 H new ATOM 0 HG22 THR A 49 -3.800 2.119 16.070 1.00 54.55 H new ATOM 0 HG23 THR A 49 -5.292 2.987 15.636 1.00 54.55 H new ATOM 792 N PHE A 50 -2.552 2.805 13.222 1.00 4.23 N ATOM 793 CA PHE A 50 -1.112 3.160 13.268 1.00 72.22 C ATOM 794 C PHE A 50 -0.710 3.740 14.641 1.00 44.32 C ATOM 795 O PHE A 50 -1.094 4.853 14.998 1.00 4.00 O ATOM 796 CB PHE A 50 -0.744 4.139 12.108 1.00 34.05 C ATOM 797 CG PHE A 50 -0.584 3.435 10.760 1.00 14.24 C ATOM 798 CD1 PHE A 50 -1.695 2.979 10.056 1.00 45.54 C ATOM 799 CD2 PHE A 50 0.680 3.202 10.216 1.00 53.30 C ATOM 800 CE1 PHE A 50 -1.552 2.309 8.859 1.00 43.30 C ATOM 801 CE2 PHE A 50 0.822 2.536 9.014 1.00 54.42 C ATOM 802 CZ PHE A 50 -0.293 2.089 8.336 1.00 3.22 C ATOM 0 H PHE A 50 -3.147 3.550 12.860 1.00 4.23 H new ATOM 0 HA PHE A 50 -0.541 2.242 13.129 1.00 72.22 H new ATOM 0 HB2 PHE A 50 -1.519 4.901 12.024 1.00 34.05 H new ATOM 0 HB3 PHE A 50 0.184 4.654 12.355 1.00 34.05 H new ATOM 0 HD1 PHE A 50 -2.684 3.153 10.453 1.00 45.54 H new ATOM 0 HD2 PHE A 50 1.558 3.547 10.741 1.00 53.30 H new ATOM 0 HE1 PHE A 50 -2.425 1.956 8.330 1.00 43.30 H new ATOM 0 HE2 PHE A 50 1.807 2.365 8.605 1.00 54.42 H new ATOM 0 HZ PHE A 50 -0.181 1.567 7.397 1.00 3.22 H new ATOM 812 N GLU A 51 0.060 2.951 15.409 1.00 1.03 N ATOM 813 CA GLU A 51 0.655 3.382 16.689 1.00 65.31 C ATOM 814 C GLU A 51 1.738 4.461 16.466 1.00 64.41 C ATOM 815 O GLU A 51 1.866 5.391 17.260 1.00 62.22 O ATOM 816 CB GLU A 51 1.231 2.152 17.430 1.00 23.53 C ATOM 817 CG GLU A 51 0.183 1.060 17.746 1.00 12.04 C ATOM 818 CD GLU A 51 -0.963 1.541 18.667 1.00 43.30 C ATOM 819 OE1 GLU A 51 -0.798 1.505 19.908 1.00 51.12 O ATOM 820 OE2 GLU A 51 -2.030 1.950 18.152 1.00 43.13 O ATOM 0 H GLU A 51 0.290 1.989 15.159 1.00 1.03 H new ATOM 0 HA GLU A 51 -0.122 3.833 17.307 1.00 65.31 H new ATOM 0 HB2 GLU A 51 2.025 1.715 16.824 1.00 23.53 H new ATOM 0 HB3 GLU A 51 1.688 2.484 18.363 1.00 23.53 H new ATOM 0 HG2 GLU A 51 -0.243 0.697 16.811 1.00 12.04 H new ATOM 0 HG3 GLU A 51 0.684 0.214 18.217 1.00 12.04 H new ATOM 827 N THR A 52 2.505 4.330 15.362 1.00 60.45 N ATOM 828 CA THR A 52 3.427 5.391 14.885 1.00 22.21 C ATOM 829 C THR A 52 3.397 5.471 13.348 1.00 73.44 C ATOM 830 O THR A 52 3.046 4.495 12.675 1.00 11.04 O ATOM 831 CB THR A 52 4.913 5.205 15.368 1.00 20.22 C ATOM 832 OG1 THR A 52 5.687 6.368 15.017 1.00 72.30 O ATOM 833 CG2 THR A 52 5.594 3.961 14.771 1.00 1.15 C ATOM 0 H THR A 52 2.505 3.494 14.778 1.00 60.45 H new ATOM 0 HA THR A 52 3.066 6.320 15.325 1.00 22.21 H new ATOM 0 HB THR A 52 4.872 5.070 16.449 1.00 20.22 H new ATOM 0 HG1 THR A 52 6.611 6.250 15.320 1.00 72.30 H new ATOM 0 HG21 THR A 52 6.616 3.891 15.144 1.00 1.15 H new ATOM 0 HG22 THR A 52 5.040 3.068 15.061 1.00 1.15 H new ATOM 0 HG23 THR A 52 5.609 4.041 13.684 1.00 1.15 H new ATOM 841 N HIS A 53 3.745 6.652 12.819 1.00 72.14 N ATOM 842 CA HIS A 53 3.827 6.913 11.371 1.00 33.24 C ATOM 843 C HIS A 53 4.723 8.152 11.136 1.00 10.41 C ATOM 844 O HIS A 53 4.261 9.294 11.222 1.00 25.10 O ATOM 845 CB HIS A 53 2.393 7.110 10.809 1.00 44.31 C ATOM 846 CG HIS A 53 2.280 7.291 9.314 1.00 75.31 C ATOM 847 ND1 HIS A 53 2.327 8.539 8.744 1.00 13.11 N ATOM 848 CD2 HIS A 53 2.050 6.377 8.339 1.00 4.01 C ATOM 849 CE1 HIS A 53 2.116 8.361 7.459 1.00 63.22 C ATOM 850 NE2 HIS A 53 1.948 7.073 7.163 1.00 64.10 N ATOM 0 H HIS A 53 3.981 7.464 13.389 1.00 72.14 H new ATOM 0 HA HIS A 53 4.276 6.071 10.845 1.00 33.24 H new ATOM 0 HB2 HIS A 53 1.792 6.247 11.096 1.00 44.31 H new ATOM 0 HB3 HIS A 53 1.952 7.981 11.294 1.00 44.31 H new ATOM 0 HD1 HIS A 53 2.492 9.425 9.221 1.00 13.11 H new ATOM 0 HD2 HIS A 53 1.964 5.308 8.465 1.00 4.01 H new ATOM 0 HE1 HIS A 53 2.083 9.160 6.733 1.00 63.22 H new ATOM 858 N GLU A 54 6.030 7.907 10.910 1.00 54.11 N ATOM 859 CA GLU A 54 7.047 8.982 10.734 1.00 55.42 C ATOM 860 C GLU A 54 6.843 9.767 9.411 1.00 20.53 C ATOM 861 O GLU A 54 6.871 11.004 9.398 1.00 70.25 O ATOM 862 CB GLU A 54 8.472 8.359 10.769 1.00 70.03 C ATOM 863 CG GLU A 54 8.795 7.558 12.048 1.00 20.45 C ATOM 864 CD GLU A 54 8.856 8.411 13.321 1.00 12.22 C ATOM 865 OE1 GLU A 54 9.855 9.138 13.499 1.00 22.03 O ATOM 866 OE2 GLU A 54 7.914 8.354 14.143 1.00 12.40 O ATOM 0 H GLU A 54 6.416 6.965 10.843 1.00 54.11 H new ATOM 0 HA GLU A 54 6.929 9.691 11.553 1.00 55.42 H new ATOM 0 HB2 GLU A 54 8.588 7.702 9.907 1.00 70.03 H new ATOM 0 HB3 GLU A 54 9.206 9.158 10.662 1.00 70.03 H new ATOM 0 HG2 GLU A 54 8.040 6.783 12.179 1.00 20.45 H new ATOM 0 HG3 GLU A 54 9.752 7.053 11.916 1.00 20.45 H new ATOM 873 N PHE A 55 6.643 9.007 8.313 1.00 53.42 N ATOM 874 CA PHE A 55 6.493 9.531 6.932 1.00 13.22 C ATOM 875 C PHE A 55 7.687 10.446 6.532 1.00 74.42 C ATOM 876 O PHE A 55 7.538 11.654 6.316 1.00 12.03 O ATOM 877 CB PHE A 55 5.113 10.233 6.737 1.00 24.12 C ATOM 878 CG PHE A 55 4.657 10.325 5.271 1.00 43.30 C ATOM 879 CD1 PHE A 55 4.182 9.190 4.613 1.00 3.31 C ATOM 880 CD2 PHE A 55 4.711 11.518 4.556 1.00 35.51 C ATOM 881 CE1 PHE A 55 3.776 9.244 3.298 1.00 52.31 C ATOM 882 CE2 PHE A 55 4.301 11.571 3.237 1.00 62.03 C ATOM 883 CZ PHE A 55 3.835 10.431 2.608 1.00 42.11 C ATOM 0 H PHE A 55 6.579 7.990 8.359 1.00 53.42 H new ATOM 0 HA PHE A 55 6.513 8.680 6.251 1.00 13.22 H new ATOM 0 HB2 PHE A 55 4.358 9.692 7.308 1.00 24.12 H new ATOM 0 HB3 PHE A 55 5.167 11.239 7.153 1.00 24.12 H new ATOM 0 HD1 PHE A 55 4.132 8.251 5.145 1.00 3.31 H new ATOM 0 HD2 PHE A 55 5.077 12.413 5.037 1.00 35.51 H new ATOM 0 HE1 PHE A 55 3.411 8.353 2.809 1.00 52.31 H new ATOM 0 HE2 PHE A 55 4.345 12.505 2.696 1.00 62.03 H new ATOM 0 HZ PHE A 55 3.518 10.473 1.576 1.00 42.11 H new ATOM 893 N THR A 56 8.880 9.835 6.474 1.00 31.31 N ATOM 894 CA THR A 56 10.141 10.519 6.100 1.00 21.13 C ATOM 895 C THR A 56 11.156 9.502 5.530 1.00 40.35 C ATOM 896 O THR A 56 10.970 8.292 5.664 1.00 34.01 O ATOM 897 CB THR A 56 10.781 11.282 7.319 1.00 11.04 C ATOM 898 OG1 THR A 56 11.964 11.988 6.899 1.00 61.32 O ATOM 899 CG2 THR A 56 11.139 10.338 8.486 1.00 33.33 C ATOM 0 H THR A 56 9.005 8.845 6.686 1.00 31.31 H new ATOM 0 HA THR A 56 9.894 11.256 5.336 1.00 21.13 H new ATOM 0 HB THR A 56 10.030 11.986 7.679 1.00 11.04 H new ATOM 0 HG1 THR A 56 12.352 12.460 7.665 1.00 61.32 H new ATOM 0 HG21 THR A 56 11.577 10.916 9.300 1.00 33.33 H new ATOM 0 HG22 THR A 56 10.237 9.838 8.840 1.00 33.33 H new ATOM 0 HG23 THR A 56 11.856 9.592 8.144 1.00 33.33 H new ATOM 907 N VAL A 57 12.231 10.008 4.911 1.00 43.12 N ATOM 908 CA VAL A 57 13.295 9.165 4.317 1.00 21.33 C ATOM 909 C VAL A 57 14.063 8.391 5.430 1.00 72.32 C ATOM 910 O VAL A 57 14.795 8.992 6.224 1.00 35.14 O ATOM 911 CB VAL A 57 14.292 10.047 3.469 1.00 50.01 C ATOM 912 CG1 VAL A 57 15.430 9.191 2.844 1.00 33.40 C ATOM 913 CG2 VAL A 57 13.527 10.852 2.378 1.00 11.43 C ATOM 0 H VAL A 57 12.394 11.009 4.804 1.00 43.12 H new ATOM 0 HA VAL A 57 12.827 8.439 3.652 1.00 21.33 H new ATOM 0 HB VAL A 57 14.762 10.758 4.148 1.00 50.01 H new ATOM 0 HG11 VAL A 57 16.095 9.835 2.268 1.00 33.40 H new ATOM 0 HG12 VAL A 57 15.995 8.702 3.637 1.00 33.40 H new ATOM 0 HG13 VAL A 57 14.998 8.435 2.188 1.00 33.40 H new ATOM 0 HG21 VAL A 57 14.234 11.453 1.806 1.00 11.43 H new ATOM 0 HG22 VAL A 57 13.013 10.161 1.709 1.00 11.43 H new ATOM 0 HG23 VAL A 57 12.797 11.507 2.854 1.00 11.43 H new ATOM 923 N GLY A 58 13.853 7.058 5.497 1.00 63.11 N ATOM 924 CA GLY A 58 14.469 6.209 6.533 1.00 43.52 C ATOM 925 C GLY A 58 13.652 6.105 7.833 1.00 12.22 C ATOM 926 O GLY A 58 14.151 5.581 8.837 1.00 41.04 O ATOM 0 H GLY A 58 13.259 6.548 4.843 1.00 63.11 H new ATOM 0 HA2 GLY A 58 14.614 5.208 6.127 1.00 43.52 H new ATOM 0 HA3 GLY A 58 15.457 6.603 6.769 1.00 43.52 H new ATOM 930 N GLY A 59 12.410 6.628 7.820 1.00 50.52 N ATOM 931 CA GLY A 59 11.477 6.505 8.962 1.00 63.41 C ATOM 932 C GLY A 59 10.490 5.355 8.785 1.00 13.25 C ATOM 933 O GLY A 59 10.272 4.912 7.667 1.00 14.14 O ATOM 0 H GLY A 59 12.026 7.143 7.027 1.00 50.52 H new ATOM 0 HA2 GLY A 59 12.047 6.353 9.879 1.00 63.41 H new ATOM 0 HA3 GLY A 59 10.926 7.438 9.080 1.00 63.41 H new ATOM 937 N LYS A 60 9.867 4.872 9.881 1.00 72.03 N ATOM 938 CA LYS A 60 8.937 3.706 9.834 1.00 53.01 C ATOM 939 C LYS A 60 7.553 3.989 10.454 1.00 33.34 C ATOM 940 O LYS A 60 7.289 5.051 11.017 1.00 62.04 O ATOM 941 CB LYS A 60 9.574 2.438 10.480 1.00 40.14 C ATOM 942 CG LYS A 60 10.753 1.859 9.673 1.00 63.02 C ATOM 943 CD LYS A 60 11.169 0.435 10.094 1.00 52.51 C ATOM 944 CE LYS A 60 12.330 -0.110 9.248 1.00 70.42 C ATOM 945 NZ LYS A 60 13.522 0.773 9.289 1.00 14.12 N ATOM 0 H LYS A 60 9.987 5.267 10.814 1.00 72.03 H new ATOM 0 HA LYS A 60 8.769 3.516 8.774 1.00 53.01 H new ATOM 0 HB2 LYS A 60 9.919 2.686 11.484 1.00 40.14 H new ATOM 0 HB3 LYS A 60 8.807 1.671 10.587 1.00 40.14 H new ATOM 0 HG2 LYS A 60 10.486 1.850 8.616 1.00 63.02 H new ATOM 0 HG3 LYS A 60 11.611 2.522 9.779 1.00 63.02 H new ATOM 0 HD2 LYS A 60 11.460 0.440 11.145 1.00 52.51 H new ATOM 0 HD3 LYS A 60 10.312 -0.233 10.003 1.00 52.51 H new ATOM 0 HE2 LYS A 60 12.603 -1.102 9.607 1.00 70.42 H new ATOM 0 HE3 LYS A 60 12.001 -0.224 8.215 1.00 70.42 H new ATOM 0 HZ1 LYS A 60 14.320 0.301 8.818 1.00 14.12 H new ATOM 0 HZ2 LYS A 60 13.310 1.666 8.799 1.00 14.12 H new ATOM 0 HZ3 LYS A 60 13.773 0.972 10.279 1.00 14.12 H new ATOM 959 N ALA A 61 6.669 2.995 10.307 1.00 22.30 N ATOM 960 CA ALA A 61 5.289 3.041 10.807 1.00 12.31 C ATOM 961 C ALA A 61 4.905 1.682 11.424 1.00 42.10 C ATOM 962 O ALA A 61 5.207 0.632 10.857 1.00 54.00 O ATOM 963 CB ALA A 61 4.334 3.425 9.666 1.00 75.31 C ATOM 0 H ALA A 61 6.896 2.122 9.830 1.00 22.30 H new ATOM 0 HA ALA A 61 5.210 3.799 11.587 1.00 12.31 H new ATOM 0 HB1 ALA A 61 3.312 3.458 10.043 1.00 75.31 H new ATOM 0 HB2 ALA A 61 4.608 4.405 9.276 1.00 75.31 H new ATOM 0 HB3 ALA A 61 4.404 2.685 8.869 1.00 75.31 H new ATOM 969 N ALA A 62 4.243 1.710 12.589 1.00 35.02 N ATOM 970 CA ALA A 62 3.765 0.494 13.283 1.00 45.33 C ATOM 971 C ALA A 62 2.239 0.484 13.257 1.00 25.33 C ATOM 972 O ALA A 62 1.616 1.465 13.658 1.00 12.25 O ATOM 973 CB ALA A 62 4.275 0.444 14.733 1.00 51.33 C ATOM 0 H ALA A 62 4.021 2.575 13.082 1.00 35.02 H new ATOM 0 HA ALA A 62 4.153 -0.386 12.770 1.00 45.33 H new ATOM 0 HB1 ALA A 62 3.907 -0.461 15.217 1.00 51.33 H new ATOM 0 HB2 ALA A 62 5.365 0.439 14.735 1.00 51.33 H new ATOM 0 HB3 ALA A 62 3.915 1.318 15.276 1.00 51.33 H new ATOM 979 N TYR A 63 1.648 -0.611 12.775 1.00 3.40 N ATOM 980 CA TYR A 63 0.184 -0.754 12.678 1.00 50.40 C ATOM 981 C TYR A 63 -0.276 -2.172 13.045 1.00 10.44 C ATOM 982 O TYR A 63 0.538 -3.077 13.255 1.00 74.04 O ATOM 983 CB TYR A 63 -0.306 -0.377 11.248 1.00 34.32 C ATOM 984 CG TYR A 63 0.254 -1.246 10.100 1.00 53.12 C ATOM 985 CD1 TYR A 63 1.505 -0.979 9.522 1.00 4.44 C ATOM 986 CD2 TYR A 63 -0.473 -2.328 9.588 1.00 23.43 C ATOM 987 CE1 TYR A 63 1.999 -1.752 8.488 1.00 62.32 C ATOM 988 CE2 TYR A 63 0.021 -3.104 8.556 1.00 4.14 C ATOM 989 CZ TYR A 63 1.259 -2.815 8.009 1.00 2.14 C ATOM 990 OH TYR A 63 1.758 -3.590 6.982 1.00 2.33 O ATOM 0 H TYR A 63 2.164 -1.425 12.440 1.00 3.40 H new ATOM 0 HA TYR A 63 -0.261 -0.067 13.398 1.00 50.40 H new ATOM 0 HB2 TYR A 63 -1.394 -0.438 11.228 1.00 34.32 H new ATOM 0 HB3 TYR A 63 -0.041 0.663 11.055 1.00 34.32 H new ATOM 0 HD1 TYR A 63 2.094 -0.153 9.893 1.00 4.44 H new ATOM 0 HD2 TYR A 63 -1.440 -2.561 10.008 1.00 23.43 H new ATOM 0 HE1 TYR A 63 2.962 -1.525 8.055 1.00 62.32 H new ATOM 0 HE2 TYR A 63 -0.558 -3.934 8.178 1.00 4.14 H new ATOM 0 HH TYR A 63 1.115 -4.297 6.764 1.00 2.33 H new ATOM 1000 N TYR A 64 -1.601 -2.329 13.141 1.00 22.51 N ATOM 1001 CA TYR A 64 -2.267 -3.633 13.283 1.00 34.24 C ATOM 1002 C TYR A 64 -3.704 -3.538 12.739 1.00 60.23 C ATOM 1003 O TYR A 64 -4.401 -2.548 12.990 1.00 70.11 O ATOM 1004 CB TYR A 64 -2.258 -4.112 14.765 1.00 52.14 C ATOM 1005 CG TYR A 64 -2.944 -3.163 15.765 1.00 34.01 C ATOM 1006 CD1 TYR A 64 -2.268 -2.060 16.302 1.00 62.25 C ATOM 1007 CD2 TYR A 64 -4.270 -3.366 16.165 1.00 10.42 C ATOM 1008 CE1 TYR A 64 -2.890 -1.211 17.194 1.00 25.03 C ATOM 1009 CE2 TYR A 64 -4.892 -2.516 17.054 1.00 73.40 C ATOM 1010 CZ TYR A 64 -4.199 -1.438 17.568 1.00 52.10 C ATOM 1011 OH TYR A 64 -4.820 -0.582 18.455 1.00 44.42 O ATOM 0 H TYR A 64 -2.252 -1.544 13.122 1.00 22.51 H new ATOM 0 HA TYR A 64 -1.717 -4.374 12.703 1.00 34.24 H new ATOM 0 HB2 TYR A 64 -2.746 -5.085 14.819 1.00 52.14 H new ATOM 0 HB3 TYR A 64 -1.224 -4.257 15.077 1.00 52.14 H new ATOM 0 HD1 TYR A 64 -1.245 -1.871 16.013 1.00 62.25 H new ATOM 0 HD2 TYR A 64 -4.818 -4.208 15.768 1.00 10.42 H new ATOM 0 HE1 TYR A 64 -2.352 -0.367 17.600 1.00 25.03 H new ATOM 0 HE2 TYR A 64 -5.916 -2.692 17.347 1.00 73.40 H new ATOM 0 HH TYR A 64 -5.739 -0.884 18.611 1.00 44.42 H new ATOM 1021 N MET A 65 -4.131 -4.554 11.977 1.00 71.44 N ATOM 1022 CA MET A 65 -5.514 -4.659 11.481 1.00 51.24 C ATOM 1023 C MET A 65 -6.353 -5.521 12.451 1.00 34.42 C ATOM 1024 O MET A 65 -5.976 -6.653 12.756 1.00 64.45 O ATOM 1025 CB MET A 65 -5.548 -5.250 10.045 1.00 30.21 C ATOM 1026 CG MET A 65 -4.828 -4.412 8.971 1.00 73.32 C ATOM 1027 SD MET A 65 -3.027 -4.487 9.094 1.00 42.50 S ATOM 1028 CE MET A 65 -2.688 -6.170 8.574 1.00 53.12 C ATOM 0 H MET A 65 -3.531 -5.326 11.686 1.00 71.44 H new ATOM 0 HA MET A 65 -5.945 -3.659 11.435 1.00 51.24 H new ATOM 0 HB2 MET A 65 -5.100 -6.243 10.068 1.00 30.21 H new ATOM 0 HB3 MET A 65 -6.589 -5.376 9.746 1.00 30.21 H new ATOM 0 HG2 MET A 65 -5.133 -4.760 7.984 1.00 73.32 H new ATOM 0 HG3 MET A 65 -5.148 -3.373 9.056 1.00 73.32 H new ATOM 0 HE1 MET A 65 -1.624 -6.278 8.364 1.00 53.12 H new ATOM 0 HE2 MET A 65 -2.973 -6.860 9.368 1.00 53.12 H new ATOM 0 HE3 MET A 65 -3.261 -6.395 7.674 1.00 53.12 H new ATOM 1038 N THR A 66 -7.466 -4.962 12.952 1.00 33.05 N ATOM 1039 CA THR A 66 -8.396 -5.681 13.857 1.00 70.34 C ATOM 1040 C THR A 66 -9.511 -6.356 13.021 1.00 31.24 C ATOM 1041 O THR A 66 -10.371 -5.675 12.460 1.00 31.41 O ATOM 1042 CB THR A 66 -9.017 -4.713 14.924 1.00 12.43 C ATOM 1043 OG1 THR A 66 -7.963 -4.045 15.646 1.00 21.45 O ATOM 1044 CG2 THR A 66 -9.929 -5.460 15.930 1.00 32.43 C ATOM 0 H THR A 66 -7.751 -4.005 12.747 1.00 33.05 H new ATOM 0 HA THR A 66 -7.835 -6.445 14.396 1.00 70.34 H new ATOM 0 HB THR A 66 -9.631 -3.989 14.389 1.00 12.43 H new ATOM 0 HG1 THR A 66 -8.354 -3.440 16.310 1.00 21.45 H new ATOM 0 HG21 THR A 66 -10.336 -4.749 16.649 1.00 32.43 H new ATOM 0 HG22 THR A 66 -10.746 -5.941 15.393 1.00 32.43 H new ATOM 0 HG23 THR A 66 -9.347 -6.216 16.457 1.00 32.43 H new ATOM 1052 N GLY A 67 -9.472 -7.696 12.949 1.00 45.21 N ATOM 1053 CA GLY A 67 -10.323 -8.466 12.027 1.00 32.14 C ATOM 1054 C GLY A 67 -11.743 -8.765 12.515 1.00 14.22 C ATOM 1055 O GLY A 67 -12.131 -8.347 13.611 1.00 71.24 O ATOM 0 H GLY A 67 -8.856 -8.272 13.522 1.00 45.21 H new ATOM 0 HA2 GLY A 67 -10.391 -7.920 11.086 1.00 32.14 H new ATOM 0 HA3 GLY A 67 -9.827 -9.413 11.812 1.00 32.14 H new ATOM 1059 N PRO A 68 -12.543 -9.543 11.707 1.00 53.41 N ATOM 1060 CA PRO A 68 -13.937 -9.918 12.073 1.00 52.41 C ATOM 1061 C PRO A 68 -13.982 -10.973 13.213 1.00 12.20 C ATOM 1062 O PRO A 68 -15.006 -11.140 13.887 1.00 32.50 O ATOM 1063 CB PRO A 68 -14.510 -10.456 10.735 1.00 25.42 C ATOM 1064 CG PRO A 68 -13.317 -11.012 10.001 1.00 64.11 C ATOM 1065 CD PRO A 68 -12.141 -10.124 10.387 1.00 52.51 C ATOM 0 HA PRO A 68 -14.515 -9.086 12.475 1.00 52.41 H new ATOM 0 HB2 PRO A 68 -15.262 -11.226 10.908 1.00 25.42 H new ATOM 0 HB3 PRO A 68 -14.992 -9.663 10.163 1.00 25.42 H new ATOM 0 HG2 PRO A 68 -13.133 -12.049 10.283 1.00 64.11 H new ATOM 0 HG3 PRO A 68 -13.480 -10.999 8.923 1.00 64.11 H new ATOM 0 HD2 PRO A 68 -11.218 -10.698 10.468 1.00 52.51 H new ATOM 0 HD3 PRO A 68 -11.968 -9.345 9.644 1.00 52.51 H new ATOM 1073 N ASP A 69 -12.849 -11.670 13.403 1.00 53.22 N ATOM 1074 CA ASP A 69 -12.619 -12.584 14.535 1.00 32.02 C ATOM 1075 C ASP A 69 -12.261 -11.797 15.830 1.00 3.54 C ATOM 1076 O ASP A 69 -12.511 -12.264 16.947 1.00 11.20 O ATOM 1077 CB ASP A 69 -11.467 -13.557 14.148 1.00 52.12 C ATOM 1078 CG ASP A 69 -11.214 -14.664 15.179 1.00 51.11 C ATOM 1079 OD1 ASP A 69 -11.864 -15.726 15.095 1.00 42.21 O ATOM 1080 OD2 ASP A 69 -10.373 -14.475 16.084 1.00 4.44 O ATOM 0 H ASP A 69 -12.055 -11.613 12.765 1.00 53.22 H new ATOM 0 HA ASP A 69 -13.530 -13.145 14.743 1.00 32.02 H new ATOM 0 HB2 ASP A 69 -11.700 -14.016 13.187 1.00 52.12 H new ATOM 0 HB3 ASP A 69 -10.550 -12.983 14.013 1.00 52.12 H new ATOM 1085 N GLY A 70 -11.698 -10.589 15.647 1.00 24.13 N ATOM 1086 CA GLY A 70 -11.109 -9.795 16.741 1.00 24.42 C ATOM 1087 C GLY A 70 -9.574 -9.862 16.759 1.00 40.22 C ATOM 1088 O GLY A 70 -8.923 -9.120 17.504 1.00 52.54 O ATOM 0 H GLY A 70 -11.638 -10.135 14.735 1.00 24.13 H new ATOM 0 HA2 GLY A 70 -11.423 -8.756 16.641 1.00 24.42 H new ATOM 0 HA3 GLY A 70 -11.496 -10.154 17.695 1.00 24.42 H new ATOM 1092 N THR A 71 -9.004 -10.758 15.924 1.00 61.43 N ATOM 1093 CA THR A 71 -7.537 -10.964 15.798 1.00 60.33 C ATOM 1094 C THR A 71 -6.799 -9.691 15.309 1.00 64.45 C ATOM 1095 O THR A 71 -7.216 -9.058 14.339 1.00 33.51 O ATOM 1096 CB THR A 71 -7.242 -12.157 14.816 1.00 55.23 C ATOM 1097 OG1 THR A 71 -7.808 -13.365 15.352 1.00 23.53 O ATOM 1098 CG2 THR A 71 -5.736 -12.384 14.563 1.00 12.51 C ATOM 0 H THR A 71 -9.550 -11.365 15.312 1.00 61.43 H new ATOM 0 HA THR A 71 -7.161 -11.198 16.794 1.00 60.33 H new ATOM 0 HB THR A 71 -7.694 -11.894 13.860 1.00 55.23 H new ATOM 0 HG1 THR A 71 -8.783 -13.277 15.399 1.00 23.53 H new ATOM 0 HG21 THR A 71 -5.604 -13.221 13.877 1.00 12.51 H new ATOM 0 HG22 THR A 71 -5.301 -11.485 14.126 1.00 12.51 H new ATOM 0 HG23 THR A 71 -5.238 -12.606 15.507 1.00 12.51 H new ATOM 1106 N LYS A 72 -5.706 -9.321 16.008 1.00 65.20 N ATOM 1107 CA LYS A 72 -4.800 -8.230 15.582 1.00 20.40 C ATOM 1108 C LYS A 72 -3.648 -8.796 14.718 1.00 22.41 C ATOM 1109 O LYS A 72 -2.802 -9.548 15.219 1.00 23.52 O ATOM 1110 CB LYS A 72 -4.212 -7.490 16.816 1.00 55.53 C ATOM 1111 CG LYS A 72 -5.238 -6.699 17.656 1.00 62.33 C ATOM 1112 CD LYS A 72 -4.580 -6.036 18.893 1.00 71.33 C ATOM 1113 CE LYS A 72 -5.557 -5.164 19.702 1.00 32.22 C ATOM 1114 NZ LYS A 72 -4.892 -4.528 20.866 1.00 32.34 N ATOM 0 H LYS A 72 -5.426 -9.768 16.881 1.00 65.20 H new ATOM 0 HA LYS A 72 -5.378 -7.521 14.990 1.00 20.40 H new ATOM 0 HB2 LYS A 72 -3.725 -8.222 17.461 1.00 55.53 H new ATOM 0 HB3 LYS A 72 -3.439 -6.802 16.473 1.00 55.53 H new ATOM 0 HG2 LYS A 72 -5.701 -5.932 17.036 1.00 62.33 H new ATOM 0 HG3 LYS A 72 -6.034 -7.368 17.983 1.00 62.33 H new ATOM 0 HD2 LYS A 72 -4.174 -6.813 19.541 1.00 71.33 H new ATOM 0 HD3 LYS A 72 -3.741 -5.423 18.566 1.00 71.33 H new ATOM 0 HE2 LYS A 72 -5.976 -4.392 19.056 1.00 32.22 H new ATOM 0 HE3 LYS A 72 -6.390 -5.776 20.049 1.00 32.22 H new ATOM 0 HZ1 LYS A 72 -5.582 -3.949 21.386 1.00 32.34 H new ATOM 0 HZ2 LYS A 72 -4.514 -5.265 21.495 1.00 32.34 H new ATOM 0 HZ3 LYS A 72 -4.113 -3.924 20.534 1.00 32.34 H new ATOM 1128 N ALA A 73 -3.635 -8.446 13.422 1.00 50.34 N ATOM 1129 CA ALA A 73 -2.521 -8.773 12.507 1.00 21.23 C ATOM 1130 C ALA A 73 -1.600 -7.546 12.369 1.00 42.35 C ATOM 1131 O ALA A 73 -1.945 -6.580 11.682 1.00 25.01 O ATOM 1132 CB ALA A 73 -3.056 -9.228 11.140 1.00 53.23 C ATOM 0 H ALA A 73 -4.393 -7.929 12.976 1.00 50.34 H new ATOM 0 HA ALA A 73 -1.944 -9.600 12.920 1.00 21.23 H new ATOM 0 HB1 ALA A 73 -2.220 -9.464 10.482 1.00 53.23 H new ATOM 0 HB2 ALA A 73 -3.677 -10.114 11.269 1.00 53.23 H new ATOM 0 HB3 ALA A 73 -3.651 -8.429 10.698 1.00 53.23 H new ATOM 1138 N ARG A 74 -0.448 -7.570 13.059 1.00 22.44 N ATOM 1139 CA ARG A 74 0.493 -6.429 13.088 1.00 50.33 C ATOM 1140 C ARG A 74 1.372 -6.337 11.822 1.00 12.24 C ATOM 1141 O ARG A 74 1.548 -7.304 11.078 1.00 62.41 O ATOM 1142 CB ARG A 74 1.400 -6.494 14.343 1.00 25.41 C ATOM 1143 CG ARG A 74 0.666 -6.306 15.690 1.00 11.53 C ATOM 1144 CD ARG A 74 1.637 -6.112 16.866 1.00 31.43 C ATOM 1145 NE ARG A 74 2.578 -4.993 16.640 1.00 41.12 N ATOM 1146 CZ ARG A 74 3.250 -4.361 17.576 1.00 31.30 C ATOM 1147 NH1 ARG A 74 3.095 -4.652 18.825 1.00 64.45 N ATOM 1148 NH2 ARG A 74 4.079 -3.428 17.249 1.00 3.41 N ATOM 0 H ARG A 74 -0.141 -8.372 13.609 1.00 22.44 H new ATOM 0 HA ARG A 74 -0.124 -5.531 13.123 1.00 50.33 H new ATOM 0 HB2 ARG A 74 1.909 -7.458 14.355 1.00 25.41 H new ATOM 0 HB3 ARG A 74 2.170 -5.728 14.256 1.00 25.41 H new ATOM 0 HG2 ARG A 74 0.005 -5.442 15.623 1.00 11.53 H new ATOM 0 HG3 ARG A 74 0.037 -7.175 15.882 1.00 11.53 H new ATOM 0 HD2 ARG A 74 1.068 -5.927 17.777 1.00 31.43 H new ATOM 0 HD3 ARG A 74 2.201 -7.031 17.024 1.00 31.43 H new ATOM 0 HE ARG A 74 2.717 -4.686 15.677 1.00 41.12 H new ATOM 0 HH11 ARG A 74 2.441 -5.385 19.101 1.00 64.45 H new ATOM 0 HH12 ARG A 74 3.627 -4.149 19.536 1.00 64.45 H new ATOM 0 HH21 ARG A 74 4.211 -3.184 16.267 1.00 3.41 H new ATOM 0 HH22 ARG A 74 4.603 -2.935 17.972 1.00 3.41 H new ATOM 1162 N GLY A 75 1.907 -5.135 11.593 1.00 1.31 N ATOM 1163 CA GLY A 75 2.914 -4.903 10.564 1.00 52.23 C ATOM 1164 C GLY A 75 3.838 -3.738 10.902 1.00 22.24 C ATOM 1165 O GLY A 75 3.467 -2.832 11.662 1.00 22.22 O ATOM 0 H GLY A 75 1.652 -4.298 12.117 1.00 1.31 H new ATOM 0 HA2 GLY A 75 3.508 -5.807 10.432 1.00 52.23 H new ATOM 0 HA3 GLY A 75 2.418 -4.705 9.613 1.00 52.23 H new ATOM 1169 N TRP A 76 5.047 -3.773 10.334 1.00 42.24 N ATOM 1170 CA TRP A 76 5.985 -2.629 10.331 1.00 5.54 C ATOM 1171 C TRP A 76 6.115 -2.144 8.871 1.00 0.25 C ATOM 1172 O TRP A 76 6.012 -2.954 7.928 1.00 25.05 O ATOM 1173 CB TRP A 76 7.369 -3.015 10.931 1.00 23.12 C ATOM 1174 CG TRP A 76 8.103 -4.065 10.129 1.00 52.30 C ATOM 1175 CD1 TRP A 76 8.011 -5.418 10.269 1.00 25.34 C ATOM 1176 CD2 TRP A 76 9.025 -3.839 9.043 1.00 4.43 C ATOM 1177 NE1 TRP A 76 8.779 -6.039 9.324 1.00 13.43 N ATOM 1178 CE2 TRP A 76 9.420 -5.095 8.571 1.00 25.44 C ATOM 1179 CE3 TRP A 76 9.542 -2.694 8.424 1.00 15.04 C ATOM 1180 CZ2 TRP A 76 10.303 -5.247 7.513 1.00 43.21 C ATOM 1181 CZ3 TRP A 76 10.423 -2.845 7.371 1.00 23.51 C ATOM 1182 CH2 TRP A 76 10.794 -4.116 6.923 1.00 72.03 C ATOM 0 H TRP A 76 5.412 -4.598 9.858 1.00 42.24 H new ATOM 0 HA TRP A 76 5.601 -1.828 10.963 1.00 5.54 H new ATOM 0 HB2 TRP A 76 7.989 -2.121 10.998 1.00 23.12 H new ATOM 0 HB3 TRP A 76 7.226 -3.380 11.948 1.00 23.12 H new ATOM 0 HD1 TRP A 76 7.419 -5.925 11.017 1.00 25.34 H new ATOM 0 HE1 TRP A 76 8.861 -7.048 9.200 1.00 13.43 H new ATOM 0 HE3 TRP A 76 9.257 -1.710 8.764 1.00 15.04 H new ATOM 0 HZ2 TRP A 76 10.594 -6.228 7.166 1.00 43.21 H new ATOM 0 HZ3 TRP A 76 10.831 -1.970 6.887 1.00 23.51 H new ATOM 0 HH2 TRP A 76 11.482 -4.206 6.095 1.00 72.03 H new ATOM 1193 N TRP A 77 6.337 -0.843 8.677 1.00 11.55 N ATOM 1194 CA TRP A 77 6.301 -0.234 7.331 1.00 65.32 C ATOM 1195 C TRP A 77 7.462 0.784 7.164 1.00 2.21 C ATOM 1196 O TRP A 77 7.498 1.781 7.872 1.00 53.50 O ATOM 1197 CB TRP A 77 4.902 0.454 7.222 1.00 61.52 C ATOM 1198 CG TRP A 77 4.312 0.555 5.851 1.00 44.45 C ATOM 1199 CD1 TRP A 77 4.319 -0.395 4.872 1.00 0.52 C ATOM 1200 CD2 TRP A 77 3.556 1.654 5.340 1.00 42.05 C ATOM 1201 NE1 TRP A 77 3.631 0.059 3.783 1.00 40.32 N ATOM 1202 CE2 TRP A 77 3.156 1.319 4.043 1.00 74.12 C ATOM 1203 CE3 TRP A 77 3.192 2.887 5.852 1.00 63.23 C ATOM 1204 CZ2 TRP A 77 2.403 2.184 3.253 1.00 14.11 C ATOM 1205 CZ3 TRP A 77 2.450 3.741 5.069 1.00 64.12 C ATOM 1206 CH2 TRP A 77 2.061 3.386 3.782 1.00 53.34 C ATOM 0 H TRP A 77 6.544 -0.185 9.429 1.00 11.55 H new ATOM 0 HA TRP A 77 6.434 -0.972 6.540 1.00 65.32 H new ATOM 0 HB2 TRP A 77 4.203 -0.093 7.855 1.00 61.52 H new ATOM 0 HB3 TRP A 77 4.984 1.460 7.633 1.00 61.52 H new ATOM 0 HD1 TRP A 77 4.797 -1.361 4.947 1.00 0.52 H new ATOM 0 HE1 TRP A 77 3.492 -0.457 2.914 1.00 40.32 H new ATOM 0 HE3 TRP A 77 3.486 3.174 6.851 1.00 63.23 H new ATOM 0 HZ2 TRP A 77 2.101 1.908 2.253 1.00 14.11 H new ATOM 0 HZ3 TRP A 77 2.164 4.706 5.461 1.00 64.12 H new ATOM 0 HH2 TRP A 77 1.477 4.078 3.194 1.00 53.34 H new ATOM 1217 N GLN A 78 8.374 0.554 6.195 1.00 13.43 N ATOM 1218 CA GLN A 78 9.597 1.400 6.013 1.00 15.53 C ATOM 1219 C GLN A 78 9.429 2.410 4.867 1.00 72.13 C ATOM 1220 O GLN A 78 9.296 2.019 3.728 1.00 53.34 O ATOM 1221 CB GLN A 78 10.850 0.507 5.745 1.00 62.14 C ATOM 1222 CG GLN A 78 12.130 1.247 5.234 1.00 34.11 C ATOM 1223 CD GLN A 78 12.818 2.206 6.225 1.00 44.52 C ATOM 1224 OE1 GLN A 78 12.207 2.791 7.100 1.00 62.42 O ATOM 1225 NE2 GLN A 78 14.117 2.388 6.072 1.00 72.45 N ATOM 0 H GLN A 78 8.296 -0.208 5.521 1.00 13.43 H new ATOM 0 HA GLN A 78 9.740 1.957 6.939 1.00 15.53 H new ATOM 0 HB2 GLN A 78 11.102 -0.015 6.668 1.00 62.14 H new ATOM 0 HB3 GLN A 78 10.578 -0.253 5.012 1.00 62.14 H new ATOM 0 HG2 GLN A 78 12.858 0.496 4.927 1.00 34.11 H new ATOM 0 HG3 GLN A 78 11.862 1.814 4.342 1.00 34.11 H new ATOM 0 HE21 GLN A 78 14.618 1.892 5.335 1.00 72.45 H new ATOM 0 HE22 GLN A 78 14.619 3.025 6.691 1.00 72.45 H new ATOM 1234 N PHE A 79 9.488 3.704 5.189 1.00 44.02 N ATOM 1235 CA PHE A 79 9.498 4.795 4.196 1.00 32.11 C ATOM 1236 C PHE A 79 10.930 5.040 3.678 1.00 10.11 C ATOM 1237 O PHE A 79 11.854 5.225 4.473 1.00 64.40 O ATOM 1238 CB PHE A 79 8.956 6.089 4.830 1.00 21.14 C ATOM 1239 CG PHE A 79 7.543 5.975 5.370 1.00 1.22 C ATOM 1240 CD1 PHE A 79 6.453 5.994 4.506 1.00 62.34 C ATOM 1241 CD2 PHE A 79 7.307 5.850 6.741 1.00 20.15 C ATOM 1242 CE1 PHE A 79 5.175 5.898 4.996 1.00 42.23 C ATOM 1243 CE2 PHE A 79 6.026 5.754 7.228 1.00 4.32 C ATOM 1244 CZ PHE A 79 4.963 5.780 6.357 1.00 60.34 C ATOM 0 H PHE A 79 9.531 4.033 6.153 1.00 44.02 H new ATOM 0 HA PHE A 79 8.862 4.505 3.360 1.00 32.11 H new ATOM 0 HB2 PHE A 79 9.620 6.388 5.641 1.00 21.14 H new ATOM 0 HB3 PHE A 79 8.985 6.884 4.085 1.00 21.14 H new ATOM 0 HD1 PHE A 79 6.614 6.085 3.442 1.00 62.34 H new ATOM 0 HD2 PHE A 79 8.141 5.829 7.426 1.00 20.15 H new ATOM 0 HE1 PHE A 79 4.334 5.915 4.318 1.00 42.23 H new ATOM 0 HE2 PHE A 79 5.855 5.659 8.290 1.00 4.32 H new ATOM 0 HZ PHE A 79 3.955 5.708 6.738 1.00 60.34 H new ATOM 1254 N THR A 80 11.107 5.032 2.349 1.00 70.00 N ATOM 1255 CA THR A 80 12.412 5.294 1.704 1.00 10.05 C ATOM 1256 C THR A 80 12.394 6.632 0.924 1.00 2.35 C ATOM 1257 O THR A 80 12.907 7.633 1.417 1.00 31.23 O ATOM 1258 CB THR A 80 12.829 4.102 0.774 1.00 23.25 C ATOM 1259 OG1 THR A 80 11.791 3.838 -0.185 1.00 53.33 O ATOM 1260 CG2 THR A 80 13.105 2.820 1.577 1.00 62.32 C ATOM 0 H THR A 80 10.354 4.845 1.687 1.00 70.00 H new ATOM 0 HA THR A 80 13.161 5.381 2.491 1.00 10.05 H new ATOM 0 HB THR A 80 13.747 4.394 0.265 1.00 23.25 H new ATOM 0 HG1 THR A 80 12.179 3.795 -1.084 1.00 53.33 H new ATOM 0 HG21 THR A 80 13.391 2.018 0.896 1.00 62.32 H new ATOM 0 HG22 THR A 80 13.914 3.001 2.284 1.00 62.32 H new ATOM 0 HG23 THR A 80 12.206 2.531 2.121 1.00 62.32 H new ATOM 1268 N THR A 81 11.788 6.663 -0.277 1.00 42.03 N ATOM 1269 CA THR A 81 11.789 7.878 -1.139 1.00 35.34 C ATOM 1270 C THR A 81 10.430 8.597 -1.079 1.00 64.31 C ATOM 1271 O THR A 81 9.454 8.152 -1.684 1.00 61.52 O ATOM 1272 CB THR A 81 12.121 7.542 -2.628 1.00 71.12 C ATOM 1273 OG1 THR A 81 13.365 6.831 -2.719 1.00 34.52 O ATOM 1274 CG2 THR A 81 12.187 8.805 -3.514 1.00 52.24 C ATOM 0 H THR A 81 11.291 5.868 -0.679 1.00 42.03 H new ATOM 0 HA THR A 81 12.569 8.532 -0.749 1.00 35.34 H new ATOM 0 HB THR A 81 11.309 6.915 -2.996 1.00 71.12 H new ATOM 0 HG1 THR A 81 13.557 6.627 -3.658 1.00 34.52 H new ATOM 0 HG21 THR A 81 12.421 8.518 -4.539 1.00 52.24 H new ATOM 0 HG22 THR A 81 11.225 9.317 -3.490 1.00 52.24 H new ATOM 0 HG23 THR A 81 12.962 9.473 -3.138 1.00 52.24 H new ATOM 1282 N ILE A 82 10.378 9.708 -0.335 1.00 12.22 N ATOM 1283 CA ILE A 82 9.181 10.571 -0.251 1.00 12.51 C ATOM 1284 C ILE A 82 9.534 11.983 -0.751 1.00 13.20 C ATOM 1285 O ILE A 82 10.238 12.731 -0.062 1.00 73.21 O ATOM 1286 CB ILE A 82 8.635 10.658 1.220 1.00 73.02 C ATOM 1287 CG1 ILE A 82 8.432 9.233 1.812 1.00 4.13 C ATOM 1288 CG2 ILE A 82 7.322 11.479 1.271 1.00 75.22 C ATOM 1289 CD1 ILE A 82 7.864 9.193 3.214 1.00 10.13 C ATOM 0 H ILE A 82 11.162 10.039 0.228 1.00 12.22 H new ATOM 0 HA ILE A 82 8.402 10.133 -0.875 1.00 12.51 H new ATOM 0 HB ILE A 82 9.374 11.175 1.833 1.00 73.02 H new ATOM 0 HG12 ILE A 82 7.768 8.674 1.152 1.00 4.13 H new ATOM 0 HG13 ILE A 82 9.392 8.716 1.811 1.00 4.13 H new ATOM 0 HG21 ILE A 82 6.962 11.526 2.299 1.00 75.22 H new ATOM 0 HG22 ILE A 82 7.510 12.489 0.906 1.00 75.22 H new ATOM 0 HG23 ILE A 82 6.569 11.001 0.645 1.00 75.22 H new ATOM 0 HD11 ILE A 82 7.761 8.157 3.535 1.00 10.13 H new ATOM 0 HD12 ILE A 82 8.535 9.718 3.894 1.00 10.13 H new ATOM 0 HD13 ILE A 82 6.887 9.675 3.224 1.00 10.13 H new ATOM 1301 N GLU A 83 9.077 12.333 -1.963 1.00 43.32 N ATOM 1302 CA GLU A 83 9.362 13.655 -2.576 1.00 41.20 C ATOM 1303 C GLU A 83 8.115 14.571 -2.575 1.00 40.25 C ATOM 1304 O GLU A 83 8.251 15.790 -2.409 1.00 75.31 O ATOM 1305 CB GLU A 83 9.913 13.461 -4.013 1.00 45.51 C ATOM 1306 CG GLU A 83 11.115 12.492 -4.099 1.00 13.32 C ATOM 1307 CD GLU A 83 11.795 12.477 -5.477 1.00 53.44 C ATOM 1308 OE1 GLU A 83 11.164 12.038 -6.453 1.00 65.44 O ATOM 1309 OE2 GLU A 83 12.964 12.901 -5.592 1.00 73.42 O ATOM 0 H GLU A 83 8.506 11.721 -2.546 1.00 43.32 H new ATOM 0 HA GLU A 83 10.119 14.154 -1.972 1.00 41.20 H new ATOM 0 HB2 GLU A 83 9.112 13.088 -4.651 1.00 45.51 H new ATOM 0 HB3 GLU A 83 10.212 14.431 -4.411 1.00 45.51 H new ATOM 0 HG2 GLU A 83 11.850 12.770 -3.343 1.00 13.32 H new ATOM 0 HG3 GLU A 83 10.776 11.484 -3.859 1.00 13.32 H new ATOM 1316 N ALA A 84 6.917 13.958 -2.769 1.00 10.34 N ATOM 1317 CA ALA A 84 5.593 14.649 -2.759 1.00 33.13 C ATOM 1318 C ALA A 84 5.383 15.605 -3.986 1.00 32.21 C ATOM 1319 O ALA A 84 6.341 16.195 -4.492 1.00 2.42 O ATOM 1320 CB ALA A 84 5.353 15.389 -1.415 1.00 44.54 C ATOM 0 H ALA A 84 6.840 12.955 -2.939 1.00 10.34 H new ATOM 0 HA ALA A 84 4.841 13.866 -2.856 1.00 33.13 H new ATOM 0 HB1 ALA A 84 4.381 15.882 -1.439 1.00 44.54 H new ATOM 0 HB2 ALA A 84 5.375 14.671 -0.595 1.00 44.54 H new ATOM 0 HB3 ALA A 84 6.134 16.135 -1.266 1.00 44.54 H new ATOM 1326 N PRO A 85 4.122 15.773 -4.508 1.00 33.32 N ATOM 1327 CA PRO A 85 2.897 15.071 -4.036 1.00 71.15 C ATOM 1328 C PRO A 85 2.559 13.782 -4.826 1.00 41.01 C ATOM 1329 O PRO A 85 1.455 13.263 -4.701 1.00 65.41 O ATOM 1330 CB PRO A 85 1.832 16.157 -4.270 1.00 51.14 C ATOM 1331 CG PRO A 85 2.257 16.810 -5.563 1.00 74.20 C ATOM 1332 CD PRO A 85 3.784 16.731 -5.602 1.00 62.04 C ATOM 0 HA PRO A 85 2.988 14.710 -3.012 1.00 71.15 H new ATOM 0 HB2 PRO A 85 0.834 15.727 -4.349 1.00 51.14 H new ATOM 0 HB3 PRO A 85 1.806 16.874 -3.450 1.00 51.14 H new ATOM 0 HG2 PRO A 85 1.819 16.298 -6.420 1.00 74.20 H new ATOM 0 HG3 PRO A 85 1.920 17.846 -5.605 1.00 74.20 H new ATOM 0 HD2 PRO A 85 4.141 16.376 -6.569 1.00 62.04 H new ATOM 0 HD3 PRO A 85 4.239 17.707 -5.433 1.00 62.04 H new ATOM 1340 N ASP A 86 3.508 13.269 -5.629 1.00 33.14 N ATOM 1341 CA ASP A 86 3.260 12.109 -6.525 1.00 23.24 C ATOM 1342 C ASP A 86 4.121 10.874 -6.177 1.00 63.13 C ATOM 1343 O ASP A 86 3.625 9.748 -6.213 1.00 44.34 O ATOM 1344 CB ASP A 86 3.466 12.536 -8.004 1.00 22.41 C ATOM 1345 CG ASP A 86 4.852 13.141 -8.276 1.00 63.14 C ATOM 1346 OD1 ASP A 86 5.053 14.336 -7.974 1.00 73.21 O ATOM 1347 OD2 ASP A 86 5.750 12.428 -8.778 1.00 73.21 O ATOM 0 H ASP A 86 4.458 13.636 -5.681 1.00 33.14 H new ATOM 0 HA ASP A 86 2.226 11.800 -6.375 1.00 23.24 H new ATOM 0 HB2 ASP A 86 3.323 11.668 -8.648 1.00 22.41 H new ATOM 0 HB3 ASP A 86 2.701 13.263 -8.275 1.00 22.41 H new ATOM 1352 N HIS A 87 5.405 11.089 -5.838 1.00 61.40 N ATOM 1353 CA HIS A 87 6.380 9.988 -5.652 1.00 4.54 C ATOM 1354 C HIS A 87 6.494 9.561 -4.164 1.00 61.24 C ATOM 1355 O HIS A 87 6.992 10.314 -3.313 1.00 15.54 O ATOM 1356 CB HIS A 87 7.772 10.410 -6.205 1.00 51.23 C ATOM 1357 CG HIS A 87 8.772 9.284 -6.372 1.00 55.11 C ATOM 1358 ND1 HIS A 87 10.001 9.469 -6.964 1.00 30.45 N ATOM 1359 CD2 HIS A 87 8.723 7.966 -6.045 1.00 70.32 C ATOM 1360 CE1 HIS A 87 10.659 8.335 -6.994 1.00 32.32 C ATOM 1361 NE2 HIS A 87 9.908 7.410 -6.447 1.00 70.10 N ATOM 0 H HIS A 87 5.797 12.018 -5.686 1.00 61.40 H new ATOM 0 HA HIS A 87 6.018 9.125 -6.210 1.00 4.54 H new ATOM 0 HB2 HIS A 87 7.629 10.893 -7.172 1.00 51.23 H new ATOM 0 HB3 HIS A 87 8.199 11.157 -5.536 1.00 51.23 H new ATOM 0 HD1 HIS A 87 10.349 10.357 -7.326 1.00 30.45 H new ATOM 0 HD2 HIS A 87 7.905 7.454 -5.560 1.00 70.32 H new ATOM 0 HE1 HIS A 87 11.649 8.188 -7.400 1.00 32.32 H new ATOM 0 HE2 HIS A 87 10.166 6.429 -6.338 1.00 70.10 H new ATOM 1370 N LEU A 88 6.031 8.335 -3.893 1.00 65.43 N ATOM 1371 CA LEU A 88 6.208 7.632 -2.609 1.00 64.42 C ATOM 1372 C LEU A 88 6.848 6.255 -2.866 1.00 71.31 C ATOM 1373 O LEU A 88 6.485 5.573 -3.820 1.00 14.43 O ATOM 1374 CB LEU A 88 4.834 7.466 -1.906 1.00 31.11 C ATOM 1375 CG LEU A 88 4.805 6.640 -0.578 1.00 4.15 C ATOM 1376 CD1 LEU A 88 5.700 7.263 0.509 1.00 23.20 C ATOM 1377 CD2 LEU A 88 3.360 6.460 -0.072 1.00 35.52 C ATOM 0 H LEU A 88 5.509 7.787 -4.576 1.00 65.43 H new ATOM 0 HA LEU A 88 6.862 8.214 -1.960 1.00 64.42 H new ATOM 0 HB2 LEU A 88 4.441 8.460 -1.694 1.00 31.11 H new ATOM 0 HB3 LEU A 88 4.148 6.996 -2.611 1.00 31.11 H new ATOM 0 HG LEU A 88 5.213 5.654 -0.802 1.00 4.15 H new ATOM 0 HD11 LEU A 88 5.649 6.657 1.413 1.00 23.20 H new ATOM 0 HD12 LEU A 88 6.730 7.301 0.155 1.00 23.20 H new ATOM 0 HD13 LEU A 88 5.355 8.273 0.729 1.00 23.20 H new ATOM 0 HD21 LEU A 88 3.367 5.882 0.852 1.00 35.52 H new ATOM 0 HD22 LEU A 88 2.915 7.438 0.115 1.00 35.52 H new ATOM 0 HD23 LEU A 88 2.774 5.933 -0.825 1.00 35.52 H new ATOM 1389 N GLU A 89 7.830 5.880 -2.037 1.00 53.53 N ATOM 1390 CA GLU A 89 8.414 4.523 -2.011 1.00 70.13 C ATOM 1391 C GLU A 89 8.476 4.024 -0.561 1.00 63.12 C ATOM 1392 O GLU A 89 8.878 4.767 0.344 1.00 43.21 O ATOM 1393 CB GLU A 89 9.834 4.493 -2.638 1.00 24.03 C ATOM 1394 CG GLU A 89 9.881 4.717 -4.157 1.00 30.54 C ATOM 1395 CD GLU A 89 11.285 4.560 -4.763 1.00 41.13 C ATOM 1396 OE1 GLU A 89 11.829 3.442 -4.718 1.00 42.11 O ATOM 1397 OE2 GLU A 89 11.847 5.542 -5.288 1.00 20.45 O ATOM 0 H GLU A 89 8.249 6.513 -1.356 1.00 53.53 H new ATOM 0 HA GLU A 89 7.777 3.870 -2.607 1.00 70.13 H new ATOM 0 HB2 GLU A 89 10.444 5.257 -2.155 1.00 24.03 H new ATOM 0 HB3 GLU A 89 10.293 3.530 -2.414 1.00 24.03 H new ATOM 0 HG2 GLU A 89 9.206 4.011 -4.640 1.00 30.54 H new ATOM 0 HG3 GLU A 89 9.509 5.717 -4.379 1.00 30.54 H new ATOM 1404 N PHE A 90 8.082 2.763 -0.358 1.00 22.45 N ATOM 1405 CA PHE A 90 8.096 2.117 0.965 1.00 10.32 C ATOM 1406 C PHE A 90 8.313 0.602 0.842 1.00 74.32 C ATOM 1407 O PHE A 90 8.373 0.066 -0.259 1.00 64.52 O ATOM 1408 CB PHE A 90 6.794 2.435 1.759 1.00 33.34 C ATOM 1409 CG PHE A 90 5.495 2.034 1.064 1.00 63.33 C ATOM 1410 CD1 PHE A 90 5.047 0.711 1.073 1.00 51.14 C ATOM 1411 CD2 PHE A 90 4.717 2.981 0.407 1.00 10.41 C ATOM 1412 CE1 PHE A 90 3.865 0.363 0.456 1.00 24.40 C ATOM 1413 CE2 PHE A 90 3.540 2.625 -0.207 1.00 31.54 C ATOM 1414 CZ PHE A 90 3.112 1.316 -0.188 1.00 41.24 C ATOM 0 H PHE A 90 7.743 2.157 -1.106 1.00 22.45 H new ATOM 0 HA PHE A 90 8.936 2.527 1.525 1.00 10.32 H new ATOM 0 HB2 PHE A 90 6.843 1.929 2.723 1.00 33.34 H new ATOM 0 HB3 PHE A 90 6.763 3.506 1.962 1.00 33.34 H new ATOM 0 HD1 PHE A 90 5.634 -0.048 1.569 1.00 51.14 H new ATOM 0 HD2 PHE A 90 5.042 4.011 0.379 1.00 10.41 H new ATOM 0 HE1 PHE A 90 3.529 -0.663 0.478 1.00 24.40 H new ATOM 0 HE2 PHE A 90 2.947 3.376 -0.707 1.00 31.54 H new ATOM 0 HZ PHE A 90 2.189 1.040 -0.677 1.00 41.24 H new ATOM 1424 N ASP A 91 8.442 -0.069 1.996 1.00 43.02 N ATOM 1425 CA ASP A 91 8.674 -1.519 2.081 1.00 64.11 C ATOM 1426 C ASP A 91 7.672 -2.195 3.056 1.00 53.25 C ATOM 1427 O ASP A 91 7.643 -1.876 4.255 1.00 1.14 O ATOM 1428 CB ASP A 91 10.121 -1.781 2.553 1.00 41.22 C ATOM 1429 CG ASP A 91 11.191 -1.344 1.534 1.00 73.23 C ATOM 1430 OD1 ASP A 91 11.531 -0.144 1.494 1.00 42.20 O ATOM 1431 OD2 ASP A 91 11.702 -2.199 0.770 1.00 60.24 O ATOM 0 H ASP A 91 8.388 0.385 2.908 1.00 43.02 H new ATOM 0 HA ASP A 91 8.523 -1.950 1.091 1.00 64.11 H new ATOM 0 HB2 ASP A 91 10.289 -1.254 3.492 1.00 41.22 H new ATOM 0 HB3 ASP A 91 10.240 -2.845 2.759 1.00 41.22 H new ATOM 1436 N ASP A 92 6.860 -3.125 2.519 1.00 42.32 N ATOM 1437 CA ASP A 92 5.959 -3.987 3.312 1.00 54.24 C ATOM 1438 C ASP A 92 6.720 -5.271 3.750 1.00 3.14 C ATOM 1439 O ASP A 92 7.088 -6.095 2.901 1.00 3.11 O ATOM 1440 CB ASP A 92 4.713 -4.375 2.463 1.00 62.23 C ATOM 1441 CG ASP A 92 4.075 -3.173 1.750 1.00 14.40 C ATOM 1442 OD1 ASP A 92 3.188 -2.513 2.340 1.00 14.14 O ATOM 1443 OD2 ASP A 92 4.476 -2.881 0.595 1.00 21.24 O ATOM 0 H ASP A 92 6.809 -3.302 1.516 1.00 42.32 H new ATOM 0 HA ASP A 92 5.629 -3.444 4.197 1.00 54.24 H new ATOM 0 HB2 ASP A 92 5.003 -5.119 1.721 1.00 62.23 H new ATOM 0 HB3 ASP A 92 3.971 -4.843 3.110 1.00 62.23 H new ATOM 1448 N GLY A 93 6.983 -5.424 5.064 1.00 34.11 N ATOM 1449 CA GLY A 93 7.704 -6.608 5.585 1.00 21.25 C ATOM 1450 C GLY A 93 6.885 -7.471 6.544 1.00 25.32 C ATOM 1451 O GLY A 93 7.212 -8.647 6.752 1.00 11.24 O ATOM 0 H GLY A 93 6.711 -4.750 5.780 1.00 34.11 H new ATOM 0 HA2 GLY A 93 8.024 -7.223 4.744 1.00 21.25 H new ATOM 0 HA3 GLY A 93 8.606 -6.273 6.096 1.00 21.25 H new ATOM 1455 N PHE A 94 5.845 -6.850 7.153 1.00 73.11 N ATOM 1456 CA PHE A 94 4.869 -7.508 8.078 1.00 62.53 C ATOM 1457 C PHE A 94 5.498 -7.880 9.445 1.00 4.44 C ATOM 1458 O PHE A 94 6.698 -8.130 9.552 1.00 23.15 O ATOM 1459 CB PHE A 94 4.193 -8.762 7.442 1.00 12.45 C ATOM 1460 CG PHE A 94 3.277 -8.453 6.259 1.00 75.21 C ATOM 1461 CD1 PHE A 94 1.923 -8.175 6.466 1.00 42.34 C ATOM 1462 CD2 PHE A 94 3.760 -8.450 4.948 1.00 74.51 C ATOM 1463 CE1 PHE A 94 1.087 -7.896 5.403 1.00 4.24 C ATOM 1464 CE2 PHE A 94 2.921 -8.172 3.887 1.00 63.21 C ATOM 1465 CZ PHE A 94 1.584 -7.900 4.115 1.00 20.54 C ATOM 0 H PHE A 94 5.651 -5.858 7.017 1.00 73.11 H new ATOM 0 HA PHE A 94 4.096 -6.760 8.256 1.00 62.53 H new ATOM 0 HB2 PHE A 94 4.971 -9.452 7.113 1.00 12.45 H new ATOM 0 HB3 PHE A 94 3.614 -9.276 8.209 1.00 12.45 H new ATOM 0 HD1 PHE A 94 1.526 -8.178 7.470 1.00 42.34 H new ATOM 0 HD2 PHE A 94 4.801 -8.668 4.762 1.00 74.51 H new ATOM 0 HE1 PHE A 94 0.045 -7.675 5.579 1.00 4.24 H new ATOM 0 HE2 PHE A 94 3.309 -8.167 2.879 1.00 63.21 H new ATOM 0 HZ PHE A 94 0.927 -7.690 3.284 1.00 20.54 H new ATOM 1475 N ALA A 95 4.656 -7.954 10.483 1.00 12.13 N ATOM 1476 CA ALA A 95 5.103 -8.220 11.871 1.00 42.41 C ATOM 1477 C ALA A 95 4.173 -9.231 12.575 1.00 3.35 C ATOM 1478 O ALA A 95 3.022 -9.421 12.165 1.00 33.21 O ATOM 1479 CB ALA A 95 5.160 -6.899 12.651 1.00 31.34 C ATOM 0 H ALA A 95 3.647 -7.833 10.393 1.00 12.13 H new ATOM 0 HA ALA A 95 6.099 -8.662 11.839 1.00 42.41 H new ATOM 0 HB1 ALA A 95 5.489 -7.093 13.672 1.00 31.34 H new ATOM 0 HB2 ALA A 95 5.862 -6.220 12.167 1.00 31.34 H new ATOM 0 HB3 ALA A 95 4.170 -6.444 12.669 1.00 31.34 H new ATOM 1485 N ASP A 96 4.684 -9.888 13.632 1.00 32.02 N ATOM 1486 CA ASP A 96 3.887 -10.835 14.453 1.00 24.22 C ATOM 1487 C ASP A 96 3.161 -10.075 15.606 1.00 34.43 C ATOM 1488 O ASP A 96 3.175 -8.842 15.635 1.00 51.53 O ATOM 1489 CB ASP A 96 4.813 -11.961 14.999 1.00 4.21 C ATOM 1490 CG ASP A 96 5.632 -11.532 16.228 1.00 54.44 C ATOM 1491 OD1 ASP A 96 6.461 -10.615 16.116 1.00 35.42 O ATOM 1492 OD2 ASP A 96 5.410 -12.084 17.322 1.00 1.52 O ATOM 0 H ASP A 96 5.650 -9.784 13.944 1.00 32.02 H new ATOM 0 HA ASP A 96 3.119 -11.298 13.834 1.00 24.22 H new ATOM 0 HB2 ASP A 96 4.205 -12.827 15.260 1.00 4.21 H new ATOM 0 HB3 ASP A 96 5.494 -12.277 14.209 1.00 4.21 H new ATOM 1497 N GLU A 97 2.572 -10.826 16.565 1.00 75.45 N ATOM 1498 CA GLU A 97 1.843 -10.253 17.728 1.00 74.15 C ATOM 1499 C GLU A 97 2.729 -9.289 18.574 1.00 31.13 C ATOM 1500 O GLU A 97 2.222 -8.338 19.171 1.00 21.44 O ATOM 1501 CB GLU A 97 1.291 -11.398 18.623 1.00 42.31 C ATOM 1502 CG GLU A 97 2.369 -12.209 19.382 1.00 62.32 C ATOM 1503 CD GLU A 97 1.814 -13.425 20.137 1.00 62.11 C ATOM 1504 OE1 GLU A 97 1.415 -13.286 21.316 1.00 44.44 O ATOM 1505 OE2 GLU A 97 1.766 -14.524 19.550 1.00 0.24 O ATOM 0 H GLU A 97 2.587 -11.846 16.557 1.00 75.45 H new ATOM 0 HA GLU A 97 1.017 -9.662 17.333 1.00 74.15 H new ATOM 0 HB2 GLU A 97 0.600 -10.971 19.350 1.00 42.31 H new ATOM 0 HB3 GLU A 97 0.715 -12.082 17.999 1.00 42.31 H new ATOM 0 HG2 GLU A 97 3.123 -12.548 18.671 1.00 62.32 H new ATOM 0 HG3 GLU A 97 2.872 -11.552 20.091 1.00 62.32 H new ATOM 1512 N HIS A 98 4.057 -9.545 18.606 1.00 4.31 N ATOM 1513 CA HIS A 98 5.026 -8.722 19.370 1.00 4.30 C ATOM 1514 C HIS A 98 5.542 -7.522 18.541 1.00 53.44 C ATOM 1515 O HIS A 98 5.905 -6.488 19.113 1.00 14.10 O ATOM 1516 CB HIS A 98 6.220 -9.587 19.842 1.00 4.02 C ATOM 1517 CG HIS A 98 5.831 -10.771 20.687 1.00 74.13 C ATOM 1518 ND1 HIS A 98 5.342 -10.655 21.966 1.00 61.02 N ATOM 1519 CD2 HIS A 98 5.850 -12.099 20.422 1.00 0.32 C ATOM 1520 CE1 HIS A 98 5.079 -11.852 22.446 1.00 63.02 C ATOM 1521 NE2 HIS A 98 5.378 -12.741 21.531 1.00 63.24 N ATOM 0 H HIS A 98 4.486 -10.323 18.106 1.00 4.31 H new ATOM 0 HA HIS A 98 4.500 -8.328 20.240 1.00 4.30 H new ATOM 0 HB2 HIS A 98 6.764 -9.943 18.967 1.00 4.02 H new ATOM 0 HB3 HIS A 98 6.906 -8.959 20.411 1.00 4.02 H new ATOM 0 HD2 HIS A 98 6.178 -12.564 19.504 1.00 0.32 H new ATOM 0 HE1 HIS A 98 4.684 -12.065 23.428 1.00 63.02 H new ATOM 0 HE2 HIS A 98 5.275 -13.751 21.631 1.00 63.24 H new ATOM 1530 N GLY A 99 5.568 -7.663 17.201 1.00 61.21 N ATOM 1531 CA GLY A 99 6.049 -6.590 16.306 1.00 72.13 C ATOM 1532 C GLY A 99 7.316 -6.929 15.504 1.00 2.04 C ATOM 1533 O GLY A 99 7.733 -6.126 14.670 1.00 51.35 O ATOM 0 H GLY A 99 5.263 -8.506 16.715 1.00 61.21 H new ATOM 0 HA2 GLY A 99 5.252 -6.337 15.607 1.00 72.13 H new ATOM 0 HA3 GLY A 99 6.243 -5.699 16.904 1.00 72.13 H new ATOM 1537 N ALA A 100 7.905 -8.121 15.722 1.00 73.32 N ATOM 1538 CA ALA A 100 9.151 -8.550 15.025 1.00 42.32 C ATOM 1539 C ALA A 100 8.895 -8.882 13.520 1.00 21.42 C ATOM 1540 O ALA A 100 7.850 -9.457 13.192 1.00 44.23 O ATOM 1541 CB ALA A 100 9.771 -9.756 15.750 1.00 73.53 C ATOM 0 H ALA A 100 7.542 -8.813 16.377 1.00 73.32 H new ATOM 0 HA ALA A 100 9.852 -7.716 15.054 1.00 42.32 H new ATOM 0 HB1 ALA A 100 10.681 -10.063 15.234 1.00 73.53 H new ATOM 0 HB2 ALA A 100 10.012 -9.479 16.776 1.00 73.53 H new ATOM 0 HB3 ALA A 100 9.060 -10.583 15.754 1.00 73.53 H new ATOM 1547 N PRO A 101 9.845 -8.505 12.582 1.00 73.42 N ATOM 1548 CA PRO A 101 9.696 -8.758 11.113 1.00 3.22 C ATOM 1549 C PRO A 101 9.485 -10.249 10.729 1.00 64.31 C ATOM 1550 O PRO A 101 10.192 -11.136 11.217 1.00 43.14 O ATOM 1551 CB PRO A 101 11.029 -8.220 10.513 1.00 44.51 C ATOM 1552 CG PRO A 101 11.500 -7.208 11.514 1.00 51.40 C ATOM 1553 CD PRO A 101 11.118 -7.777 12.866 1.00 11.43 C ATOM 0 HA PRO A 101 8.799 -8.271 10.732 1.00 3.22 H new ATOM 0 HB2 PRO A 101 11.758 -9.020 10.382 1.00 44.51 H new ATOM 0 HB3 PRO A 101 10.871 -7.768 9.534 1.00 44.51 H new ATOM 0 HG2 PRO A 101 12.577 -7.054 11.442 1.00 51.40 H new ATOM 0 HG3 PRO A 101 11.028 -6.240 11.347 1.00 51.40 H new ATOM 0 HD2 PRO A 101 11.887 -8.446 13.253 1.00 11.43 H new ATOM 0 HD3 PRO A 101 10.976 -6.991 13.608 1.00 11.43 H new ATOM 1561 N VAL A 102 8.508 -10.499 9.838 1.00 52.04 N ATOM 1562 CA VAL A 102 8.208 -11.847 9.323 1.00 10.40 C ATOM 1563 C VAL A 102 9.044 -12.121 8.047 1.00 33.32 C ATOM 1564 O VAL A 102 8.687 -11.688 6.946 1.00 53.41 O ATOM 1565 CB VAL A 102 6.663 -12.013 9.031 1.00 41.20 C ATOM 1566 CG1 VAL A 102 6.322 -13.440 8.524 1.00 70.02 C ATOM 1567 CG2 VAL A 102 5.817 -11.659 10.284 1.00 12.25 C ATOM 0 H VAL A 102 7.904 -9.772 9.455 1.00 52.04 H new ATOM 0 HA VAL A 102 8.479 -12.579 10.084 1.00 10.40 H new ATOM 0 HB VAL A 102 6.409 -11.312 8.236 1.00 41.20 H new ATOM 0 HG11 VAL A 102 5.251 -13.513 8.335 1.00 70.02 H new ATOM 0 HG12 VAL A 102 6.868 -13.638 7.601 1.00 70.02 H new ATOM 0 HG13 VAL A 102 6.608 -14.172 9.279 1.00 70.02 H new ATOM 0 HG21 VAL A 102 4.758 -11.782 10.055 1.00 12.25 H new ATOM 0 HG22 VAL A 102 6.090 -12.321 11.106 1.00 12.25 H new ATOM 0 HG23 VAL A 102 6.008 -10.625 10.572 1.00 12.25 H new ATOM 1577 N ASP A 103 10.177 -12.832 8.226 1.00 33.43 N ATOM 1578 CA ASP A 103 11.104 -13.208 7.125 1.00 11.53 C ATOM 1579 C ASP A 103 10.448 -14.233 6.173 1.00 25.35 C ATOM 1580 O ASP A 103 10.820 -14.334 5.000 1.00 44.10 O ATOM 1581 CB ASP A 103 12.417 -13.789 7.710 1.00 1.40 C ATOM 1582 CG ASP A 103 13.072 -12.848 8.726 1.00 25.14 C ATOM 1583 OD1 ASP A 103 13.789 -11.917 8.311 1.00 4.41 O ATOM 1584 OD2 ASP A 103 12.862 -13.033 9.940 1.00 41.14 O ATOM 0 H ASP A 103 10.481 -13.165 9.141 1.00 33.43 H new ATOM 0 HA ASP A 103 11.334 -12.310 6.552 1.00 11.53 H new ATOM 0 HB2 ASP A 103 12.206 -14.745 8.188 1.00 1.40 H new ATOM 0 HB3 ASP A 103 13.117 -13.986 6.898 1.00 1.40 H new ATOM 1589 N GLU A 104 9.475 -14.984 6.718 1.00 51.42 N ATOM 1590 CA GLU A 104 8.633 -15.939 5.970 1.00 44.43 C ATOM 1591 C GLU A 104 7.873 -15.238 4.799 1.00 71.42 C ATOM 1592 O GLU A 104 7.716 -15.805 3.715 1.00 44.34 O ATOM 1593 CB GLU A 104 7.635 -16.566 6.971 1.00 64.34 C ATOM 1594 CG GLU A 104 6.758 -17.690 6.407 1.00 41.33 C ATOM 1595 CD GLU A 104 5.665 -18.148 7.391 1.00 53.24 C ATOM 1596 OE1 GLU A 104 6.009 -18.744 8.436 1.00 23.13 O ATOM 1597 OE2 GLU A 104 4.465 -17.889 7.141 1.00 12.34 O ATOM 0 H GLU A 104 9.246 -14.944 7.711 1.00 51.42 H new ATOM 0 HA GLU A 104 9.259 -16.709 5.519 1.00 44.43 H new ATOM 0 HB2 GLU A 104 8.195 -16.957 7.820 1.00 64.34 H new ATOM 0 HB3 GLU A 104 6.986 -15.778 7.353 1.00 64.34 H new ATOM 0 HG2 GLU A 104 6.289 -17.350 5.484 1.00 41.33 H new ATOM 0 HG3 GLU A 104 7.388 -18.541 6.150 1.00 41.33 H new ATOM 1604 N LEU A 105 7.414 -13.996 5.057 1.00 22.51 N ATOM 1605 CA LEU A 105 6.747 -13.136 4.047 1.00 23.13 C ATOM 1606 C LEU A 105 7.759 -12.212 3.329 1.00 54.22 C ATOM 1607 O LEU A 105 7.517 -11.788 2.194 1.00 43.32 O ATOM 1608 CB LEU A 105 5.640 -12.293 4.739 1.00 30.34 C ATOM 1609 CG LEU A 105 4.452 -13.116 5.327 1.00 44.32 C ATOM 1610 CD1 LEU A 105 3.431 -12.213 6.047 1.00 62.10 C ATOM 1611 CD2 LEU A 105 3.775 -13.957 4.231 1.00 55.32 C ATOM 0 H LEU A 105 7.494 -13.556 5.974 1.00 22.51 H new ATOM 0 HA LEU A 105 6.299 -13.778 3.289 1.00 23.13 H new ATOM 0 HB2 LEU A 105 6.095 -11.715 5.544 1.00 30.34 H new ATOM 0 HB3 LEU A 105 5.245 -11.578 4.017 1.00 30.34 H new ATOM 0 HG LEU A 105 4.861 -13.796 6.074 1.00 44.32 H new ATOM 0 HD11 LEU A 105 2.620 -12.824 6.442 1.00 62.10 H new ATOM 0 HD12 LEU A 105 3.923 -11.689 6.867 1.00 62.10 H new ATOM 0 HD13 LEU A 105 3.028 -11.486 5.342 1.00 62.10 H new ATOM 0 HD21 LEU A 105 2.950 -14.522 4.664 1.00 55.32 H new ATOM 0 HD22 LEU A 105 3.394 -13.299 3.450 1.00 55.32 H new ATOM 0 HD23 LEU A 105 4.501 -14.647 3.801 1.00 55.32 H new ATOM 1623 N GLY A 106 8.876 -11.903 4.019 1.00 1.24 N ATOM 1624 CA GLY A 106 9.953 -11.063 3.469 1.00 31.50 C ATOM 1625 C GLY A 106 9.601 -9.570 3.342 1.00 73.13 C ATOM 1626 O GLY A 106 8.487 -9.147 3.654 1.00 1.52 O ATOM 0 H GLY A 106 9.054 -12.229 4.969 1.00 1.24 H new ATOM 0 HA2 GLY A 106 10.833 -11.162 4.104 1.00 31.50 H new ATOM 0 HA3 GLY A 106 10.226 -11.443 2.485 1.00 31.50 H new ATOM 1630 N VAL A 107 10.573 -8.780 2.856 1.00 14.25 N ATOM 1631 CA VAL A 107 10.420 -7.321 2.624 1.00 60.21 C ATOM 1632 C VAL A 107 10.193 -7.043 1.114 1.00 1.40 C ATOM 1633 O VAL A 107 10.902 -7.593 0.275 1.00 31.22 O ATOM 1634 CB VAL A 107 11.706 -6.562 3.127 1.00 51.54 C ATOM 1635 CG1 VAL A 107 11.605 -5.036 2.896 1.00 52.23 C ATOM 1636 CG2 VAL A 107 11.985 -6.880 4.619 1.00 71.51 C ATOM 0 H VAL A 107 11.498 -9.132 2.609 1.00 14.25 H new ATOM 0 HA VAL A 107 9.555 -6.961 3.181 1.00 60.21 H new ATOM 0 HB VAL A 107 12.548 -6.922 2.535 1.00 51.54 H new ATOM 0 HG11 VAL A 107 12.513 -4.552 3.257 1.00 52.23 H new ATOM 0 HG12 VAL A 107 11.487 -4.836 1.831 1.00 52.23 H new ATOM 0 HG13 VAL A 107 10.744 -4.642 3.437 1.00 52.23 H new ATOM 0 HG21 VAL A 107 12.877 -6.345 4.944 1.00 71.51 H new ATOM 0 HG22 VAL A 107 11.134 -6.567 5.223 1.00 71.51 H new ATOM 0 HG23 VAL A 107 12.140 -7.952 4.740 1.00 71.51 H new ATOM 1646 N THR A 108 9.197 -6.208 0.764 1.00 53.10 N ATOM 1647 CA THR A 108 8.900 -5.870 -0.655 1.00 14.02 C ATOM 1648 C THR A 108 8.698 -4.355 -0.846 1.00 25.51 C ATOM 1649 O THR A 108 7.954 -3.720 -0.103 1.00 23.51 O ATOM 1650 CB THR A 108 7.666 -6.657 -1.203 1.00 34.13 C ATOM 1651 OG1 THR A 108 7.429 -6.295 -2.574 1.00 12.21 O ATOM 1652 CG2 THR A 108 6.382 -6.441 -0.373 1.00 22.32 C ATOM 0 H THR A 108 8.581 -5.752 1.437 1.00 53.10 H new ATOM 0 HA THR A 108 9.772 -6.176 -1.233 1.00 14.02 H new ATOM 0 HB THR A 108 7.911 -7.716 -1.126 1.00 34.13 H new ATOM 0 HG1 THR A 108 6.575 -5.819 -2.644 1.00 12.21 H new ATOM 0 HG21 THR A 108 5.566 -7.016 -0.809 1.00 22.32 H new ATOM 0 HG22 THR A 108 6.551 -6.771 0.652 1.00 22.32 H new ATOM 0 HG23 THR A 108 6.121 -5.383 -0.375 1.00 22.32 H new ATOM 1660 N HIS A 109 9.349 -3.789 -1.873 1.00 74.32 N ATOM 1661 CA HIS A 109 9.446 -2.328 -2.064 1.00 4.10 C ATOM 1662 C HIS A 109 8.355 -1.803 -3.042 1.00 41.32 C ATOM 1663 O HIS A 109 8.520 -1.869 -4.263 1.00 33.54 O ATOM 1664 CB HIS A 109 10.871 -1.982 -2.571 1.00 73.13 C ATOM 1665 CG HIS A 109 11.289 -0.546 -2.366 1.00 64.42 C ATOM 1666 ND1 HIS A 109 12.268 -0.184 -1.473 1.00 62.21 N ATOM 1667 CD2 HIS A 109 10.901 0.609 -2.965 1.00 34.30 C ATOM 1668 CE1 HIS A 109 12.465 1.108 -1.534 1.00 55.11 C ATOM 1669 NE2 HIS A 109 11.655 1.616 -2.426 1.00 65.10 N ATOM 0 H HIS A 109 9.824 -4.328 -2.597 1.00 74.32 H new ATOM 0 HA HIS A 109 9.271 -1.832 -1.109 1.00 4.10 H new ATOM 0 HB2 HIS A 109 11.588 -2.629 -2.065 1.00 73.13 H new ATOM 0 HB3 HIS A 109 10.928 -2.213 -3.635 1.00 73.13 H new ATOM 0 HD1 HIS A 109 12.766 -0.825 -0.856 1.00 62.21 H new ATOM 0 HD2 HIS A 109 10.140 0.713 -3.724 1.00 34.30 H new ATOM 0 HE1 HIS A 109 13.179 1.664 -0.944 1.00 55.11 H new ATOM 1678 N ALA A 110 7.260 -1.259 -2.487 1.00 64.24 N ATOM 1679 CA ALA A 110 6.113 -0.745 -3.276 1.00 3.32 C ATOM 1680 C ALA A 110 6.234 0.777 -3.531 1.00 54.34 C ATOM 1681 O ALA A 110 6.507 1.553 -2.610 1.00 2.15 O ATOM 1682 CB ALA A 110 4.796 -1.089 -2.575 1.00 51.22 C ATOM 0 H ALA A 110 7.138 -1.160 -1.479 1.00 64.24 H new ATOM 0 HA ALA A 110 6.124 -1.232 -4.251 1.00 3.32 H new ATOM 0 HB1 ALA A 110 3.961 -0.707 -3.162 1.00 51.22 H new ATOM 0 HB2 ALA A 110 4.707 -2.171 -2.478 1.00 51.22 H new ATOM 0 HB3 ALA A 110 4.781 -0.634 -1.585 1.00 51.22 H new ATOM 1688 N THR A 111 5.993 1.193 -4.788 1.00 14.03 N ATOM 1689 CA THR A 111 6.155 2.597 -5.235 1.00 13.44 C ATOM 1690 C THR A 111 4.796 3.185 -5.674 1.00 15.52 C ATOM 1691 O THR A 111 4.249 2.778 -6.697 1.00 72.21 O ATOM 1692 CB THR A 111 7.174 2.717 -6.431 1.00 11.21 C ATOM 1693 OG1 THR A 111 8.406 2.053 -6.100 1.00 72.03 O ATOM 1694 CG2 THR A 111 7.485 4.186 -6.780 1.00 72.34 C ATOM 0 H THR A 111 5.679 0.565 -5.528 1.00 14.03 H new ATOM 0 HA THR A 111 6.547 3.158 -4.387 1.00 13.44 H new ATOM 0 HB THR A 111 6.707 2.246 -7.296 1.00 11.21 H new ATOM 0 HG1 THR A 111 9.032 2.132 -6.850 1.00 72.03 H new ATOM 0 HG21 THR A 111 8.191 4.221 -7.609 1.00 72.34 H new ATOM 0 HG22 THR A 111 6.564 4.695 -7.065 1.00 72.34 H new ATOM 0 HG23 THR A 111 7.920 4.682 -5.912 1.00 72.34 H new ATOM 1702 N VAL A 112 4.280 4.153 -4.899 1.00 32.24 N ATOM 1703 CA VAL A 112 3.009 4.855 -5.191 1.00 41.34 C ATOM 1704 C VAL A 112 3.293 6.106 -6.042 1.00 73.54 C ATOM 1705 O VAL A 112 3.996 7.014 -5.599 1.00 54.44 O ATOM 1706 CB VAL A 112 2.284 5.274 -3.861 1.00 4.04 C ATOM 1707 CG1 VAL A 112 0.979 6.073 -4.133 1.00 1.44 C ATOM 1708 CG2 VAL A 112 2.004 4.028 -2.994 1.00 74.52 C ATOM 0 H VAL A 112 4.733 4.476 -4.044 1.00 32.24 H new ATOM 0 HA VAL A 112 2.357 4.176 -5.741 1.00 41.34 H new ATOM 0 HB VAL A 112 2.951 5.941 -3.314 1.00 4.04 H new ATOM 0 HG11 VAL A 112 0.512 6.341 -3.185 1.00 1.44 H new ATOM 0 HG12 VAL A 112 1.217 6.979 -4.690 1.00 1.44 H new ATOM 0 HG13 VAL A 112 0.291 5.460 -4.715 1.00 1.44 H new ATOM 0 HG21 VAL A 112 1.502 4.330 -2.075 1.00 74.52 H new ATOM 0 HG22 VAL A 112 1.367 3.337 -3.546 1.00 74.52 H new ATOM 0 HG23 VAL A 112 2.945 3.537 -2.748 1.00 74.52 H new ATOM 1718 N LYS A 113 2.776 6.118 -7.282 1.00 3.03 N ATOM 1719 CA LYS A 113 3.021 7.207 -8.254 1.00 23.51 C ATOM 1720 C LYS A 113 1.689 7.796 -8.773 1.00 71.13 C ATOM 1721 O LYS A 113 0.905 7.107 -9.435 1.00 23.24 O ATOM 1722 CB LYS A 113 3.898 6.651 -9.404 1.00 73.32 C ATOM 1723 CG LYS A 113 5.288 6.170 -8.917 1.00 50.35 C ATOM 1724 CD LYS A 113 6.060 5.349 -9.967 1.00 4.22 C ATOM 1725 CE LYS A 113 6.320 6.127 -11.256 1.00 43.42 C ATOM 1726 NZ LYS A 113 7.127 5.351 -12.224 1.00 44.44 N ATOM 0 H LYS A 113 2.176 5.376 -7.643 1.00 3.03 H new ATOM 0 HA LYS A 113 3.551 8.027 -7.770 1.00 23.51 H new ATOM 0 HB2 LYS A 113 3.378 5.821 -9.883 1.00 73.32 H new ATOM 0 HB3 LYS A 113 4.030 7.424 -10.161 1.00 73.32 H new ATOM 0 HG2 LYS A 113 5.885 7.037 -8.636 1.00 50.35 H new ATOM 0 HG3 LYS A 113 5.160 5.566 -8.019 1.00 50.35 H new ATOM 0 HD2 LYS A 113 7.012 5.030 -9.543 1.00 4.22 H new ATOM 0 HD3 LYS A 113 5.496 4.446 -10.201 1.00 4.22 H new ATOM 0 HE2 LYS A 113 5.368 6.398 -11.713 1.00 43.42 H new ATOM 0 HE3 LYS A 113 6.836 7.058 -11.019 1.00 43.42 H new ATOM 0 HZ1 LYS A 113 7.278 5.918 -13.083 1.00 44.44 H new ATOM 0 HZ2 LYS A 113 8.046 5.114 -11.799 1.00 44.44 H new ATOM 0 HZ3 LYS A 113 6.624 4.475 -12.472 1.00 44.44 H new ATOM 1740 N LEU A 114 1.440 9.072 -8.432 1.00 63.30 N ATOM 1741 CA LEU A 114 0.208 9.803 -8.803 1.00 41.41 C ATOM 1742 C LEU A 114 0.383 10.610 -10.116 1.00 10.12 C ATOM 1743 O LEU A 114 1.421 11.236 -10.343 1.00 24.21 O ATOM 1744 CB LEU A 114 -0.195 10.731 -7.631 1.00 3.42 C ATOM 1745 CG LEU A 114 -0.567 9.991 -6.305 1.00 70.10 C ATOM 1746 CD1 LEU A 114 -0.716 10.962 -5.124 1.00 23.11 C ATOM 1747 CD2 LEU A 114 -1.846 9.163 -6.484 1.00 72.43 C ATOM 0 H LEU A 114 2.093 9.634 -7.885 1.00 63.30 H new ATOM 0 HA LEU A 114 -0.585 9.079 -8.990 1.00 41.41 H new ATOM 0 HB2 LEU A 114 0.628 11.416 -7.429 1.00 3.42 H new ATOM 0 HB3 LEU A 114 -1.045 11.338 -7.943 1.00 3.42 H new ATOM 0 HG LEU A 114 0.258 9.318 -6.072 1.00 70.10 H new ATOM 0 HD11 LEU A 114 -0.975 10.404 -4.224 1.00 23.11 H new ATOM 0 HD12 LEU A 114 0.225 11.490 -4.966 1.00 23.11 H new ATOM 0 HD13 LEU A 114 -1.504 11.683 -5.343 1.00 23.11 H new ATOM 0 HD21 LEU A 114 -2.086 8.657 -5.549 1.00 72.43 H new ATOM 0 HD22 LEU A 114 -2.669 9.821 -6.762 1.00 72.43 H new ATOM 0 HD23 LEU A 114 -1.693 8.422 -7.269 1.00 72.43 H new ATOM 1759 N GLU A 115 -0.657 10.582 -10.967 1.00 14.25 N ATOM 1760 CA GLU A 115 -0.669 11.246 -12.286 1.00 5.33 C ATOM 1761 C GLU A 115 -1.809 12.296 -12.346 1.00 70.20 C ATOM 1762 O GLU A 115 -2.982 11.921 -12.247 1.00 53.14 O ATOM 1763 CB GLU A 115 -0.872 10.185 -13.404 1.00 44.15 C ATOM 1764 CG GLU A 115 -0.785 10.730 -14.852 1.00 32.23 C ATOM 1765 CD GLU A 115 0.651 11.100 -15.280 1.00 41.43 C ATOM 1766 OE1 GLU A 115 1.093 12.241 -15.030 1.00 13.04 O ATOM 1767 OE2 GLU A 115 1.349 10.239 -15.857 1.00 60.01 O ATOM 0 H GLU A 115 -1.526 10.091 -10.757 1.00 14.25 H new ATOM 0 HA GLU A 115 0.285 11.752 -12.437 1.00 5.33 H new ATOM 0 HB2 GLU A 115 -0.123 9.403 -13.281 1.00 44.15 H new ATOM 0 HB3 GLU A 115 -1.847 9.717 -13.267 1.00 44.15 H new ATOM 0 HG2 GLU A 115 -1.180 9.981 -15.539 1.00 32.23 H new ATOM 0 HG3 GLU A 115 -1.421 11.611 -14.940 1.00 32.23 H new ATOM 1774 N PRO A 116 -1.487 13.624 -12.481 1.00 1.51 N ATOM 1775 CA PRO A 116 -2.515 14.688 -12.600 1.00 34.41 C ATOM 1776 C PRO A 116 -3.338 14.583 -13.912 1.00 63.54 C ATOM 1777 O PRO A 116 -2.890 15.002 -14.984 1.00 5.52 O ATOM 1778 CB PRO A 116 -1.689 16.009 -12.522 1.00 53.34 C ATOM 1779 CG PRO A 116 -0.305 15.618 -12.958 1.00 33.30 C ATOM 1780 CD PRO A 116 -0.109 14.188 -12.502 1.00 3.41 C ATOM 0 HA PRO A 116 -3.272 14.620 -11.818 1.00 34.41 H new ATOM 0 HB2 PRO A 116 -2.107 16.777 -13.173 1.00 53.34 H new ATOM 0 HB3 PRO A 116 -1.686 16.415 -11.511 1.00 53.34 H new ATOM 0 HG2 PRO A 116 -0.200 15.700 -14.040 1.00 33.30 H new ATOM 0 HG3 PRO A 116 0.443 16.275 -12.514 1.00 33.30 H new ATOM 0 HD2 PRO A 116 0.538 13.637 -13.185 1.00 3.41 H new ATOM 0 HD3 PRO A 116 0.356 14.143 -11.517 1.00 3.41 H new ATOM 1788 N LEU A 117 -4.544 13.994 -13.808 1.00 0.21 N ATOM 1789 CA LEU A 117 -5.504 13.885 -14.944 1.00 5.30 C ATOM 1790 C LEU A 117 -6.476 15.103 -14.958 1.00 43.50 C ATOM 1791 O LEU A 117 -7.692 14.938 -15.163 1.00 72.25 O ATOM 1792 CB LEU A 117 -6.309 12.548 -14.851 1.00 44.25 C ATOM 1793 CG LEU A 117 -5.481 11.229 -14.742 1.00 40.51 C ATOM 1794 CD1 LEU A 117 -6.414 10.000 -14.622 1.00 53.33 C ATOM 1795 CD2 LEU A 117 -4.494 11.071 -15.921 1.00 61.25 C ATOM 0 H LEU A 117 -4.888 13.579 -12.942 1.00 0.21 H new ATOM 0 HA LEU A 117 -4.937 13.886 -15.875 1.00 5.30 H new ATOM 0 HB2 LEU A 117 -6.967 12.608 -13.984 1.00 44.25 H new ATOM 0 HB3 LEU A 117 -6.948 12.475 -15.731 1.00 44.25 H new ATOM 0 HG LEU A 117 -4.885 11.291 -13.832 1.00 40.51 H new ATOM 0 HD11 LEU A 117 -5.814 9.093 -14.547 1.00 53.33 H new ATOM 0 HD12 LEU A 117 -7.034 10.099 -13.731 1.00 53.33 H new ATOM 0 HD13 LEU A 117 -7.053 9.941 -15.503 1.00 53.33 H new ATOM 0 HD21 LEU A 117 -3.937 10.141 -15.807 1.00 61.25 H new ATOM 0 HD22 LEU A 117 -5.048 11.050 -16.859 1.00 61.25 H new ATOM 0 HD23 LEU A 117 -3.799 11.911 -15.929 1.00 61.25 H new ATOM 1807 N GLU A 118 -5.904 16.318 -14.747 1.00 74.30 N ATOM 1808 CA GLU A 118 -6.642 17.608 -14.678 1.00 3.13 C ATOM 1809 C GLU A 118 -7.650 17.651 -13.494 1.00 75.25 C ATOM 1810 O GLU A 118 -7.338 18.172 -12.417 1.00 74.35 O ATOM 1811 CB GLU A 118 -7.343 17.929 -16.038 1.00 31.40 C ATOM 1812 CG GLU A 118 -6.382 18.189 -17.212 1.00 10.23 C ATOM 1813 CD GLU A 118 -7.097 18.375 -18.563 1.00 44.50 C ATOM 1814 OE1 GLU A 118 -7.734 19.431 -18.767 1.00 31.11 O ATOM 1815 OE2 GLU A 118 -7.036 17.462 -19.420 1.00 44.44 O ATOM 0 H GLU A 118 -4.898 16.430 -14.618 1.00 74.30 H new ATOM 0 HA GLU A 118 -5.904 18.387 -14.487 1.00 3.13 H new ATOM 0 HB2 GLU A 118 -7.997 17.097 -16.299 1.00 31.40 H new ATOM 0 HB3 GLU A 118 -7.978 18.805 -15.906 1.00 31.40 H new ATOM 0 HG2 GLU A 118 -5.791 19.080 -16.997 1.00 10.23 H new ATOM 0 HG3 GLU A 118 -5.684 17.355 -17.291 1.00 10.23 H new ATOM 1822 N ASN A 119 -8.850 17.084 -13.713 1.00 75.55 N ATOM 1823 CA ASN A 119 -9.940 17.025 -12.715 1.00 53.04 C ATOM 1824 C ASN A 119 -9.751 15.787 -11.797 1.00 4.01 C ATOM 1825 O ASN A 119 -10.034 15.822 -10.593 1.00 43.34 O ATOM 1826 CB ASN A 119 -11.291 16.970 -13.488 1.00 74.15 C ATOM 1827 CG ASN A 119 -12.547 17.172 -12.626 1.00 63.31 C ATOM 1828 OD1 ASN A 119 -12.605 16.806 -11.458 1.00 14.43 O ATOM 1829 ND2 ASN A 119 -13.572 17.765 -13.203 1.00 52.34 N ATOM 0 H ASN A 119 -9.096 16.647 -14.601 1.00 75.55 H new ATOM 0 HA ASN A 119 -9.930 17.905 -12.071 1.00 53.04 H new ATOM 0 HB2 ASN A 119 -11.277 17.733 -14.266 1.00 74.15 H new ATOM 0 HB3 ASN A 119 -11.365 16.005 -13.989 1.00 74.15 H new ATOM 0 HD21 ASN A 119 -14.431 17.926 -12.677 1.00 52.34 H new ATOM 0 HD22 ASN A 119 -13.507 18.063 -14.176 1.00 52.34 H new ATOM 1836 N ARG A 120 -9.262 14.698 -12.403 1.00 12.02 N ATOM 1837 CA ARG A 120 -9.045 13.399 -11.728 1.00 1.00 C ATOM 1838 C ARG A 120 -7.539 13.141 -11.487 1.00 53.10 C ATOM 1839 O ARG A 120 -6.691 13.976 -11.818 1.00 54.22 O ATOM 1840 CB ARG A 120 -9.674 12.283 -12.599 1.00 0.31 C ATOM 1841 CG ARG A 120 -11.214 12.386 -12.721 1.00 15.13 C ATOM 1842 CD ARG A 120 -11.802 11.465 -13.802 1.00 63.35 C ATOM 1843 NE ARG A 120 -11.271 10.089 -13.731 1.00 4.25 N ATOM 1844 CZ ARG A 120 -11.896 9.040 -13.240 1.00 11.51 C ATOM 1845 NH1 ARG A 120 -13.056 9.137 -12.677 1.00 62.55 N ATOM 1846 NH2 ARG A 120 -11.338 7.879 -13.324 1.00 71.05 N ATOM 0 H ARG A 120 -9.000 14.687 -13.389 1.00 12.02 H new ATOM 0 HA ARG A 120 -9.523 13.410 -10.748 1.00 1.00 H new ATOM 0 HB2 ARG A 120 -9.236 12.321 -13.596 1.00 0.31 H new ATOM 0 HB3 ARG A 120 -9.416 11.313 -12.174 1.00 0.31 H new ATOM 0 HG2 ARG A 120 -11.665 12.140 -11.760 1.00 15.13 H new ATOM 0 HG3 ARG A 120 -11.485 13.417 -12.946 1.00 15.13 H new ATOM 0 HD2 ARG A 120 -12.887 11.437 -13.698 1.00 63.35 H new ATOM 0 HD3 ARG A 120 -11.586 11.883 -14.785 1.00 63.35 H new ATOM 0 HE ARG A 120 -10.331 9.937 -14.097 1.00 4.25 H new ATOM 0 HH11 ARG A 120 -13.513 10.046 -12.604 1.00 62.55 H new ATOM 0 HH12 ARG A 120 -13.514 8.305 -12.306 1.00 62.55 H new ATOM 0 HH21 ARG A 120 -10.424 7.783 -13.767 1.00 71.05 H new ATOM 0 HH22 ARG A 120 -11.811 7.057 -12.948 1.00 71.05 H new ATOM 1860 N THR A 121 -7.218 11.987 -10.872 1.00 70.32 N ATOM 1861 CA THR A 121 -5.816 11.541 -10.652 1.00 43.21 C ATOM 1862 C THR A 121 -5.715 10.002 -10.692 1.00 21.32 C ATOM 1863 O THR A 121 -6.587 9.299 -10.179 1.00 53.52 O ATOM 1864 CB THR A 121 -5.235 12.088 -9.294 1.00 23.05 C ATOM 1865 OG1 THR A 121 -5.164 13.521 -9.346 1.00 5.22 O ATOM 1866 CG2 THR A 121 -3.828 11.536 -8.973 1.00 45.30 C ATOM 0 H THR A 121 -7.915 11.335 -10.512 1.00 70.32 H new ATOM 0 HA THR A 121 -5.217 11.954 -11.464 1.00 43.21 H new ATOM 0 HB THR A 121 -5.910 11.753 -8.506 1.00 23.05 H new ATOM 0 HG1 THR A 121 -6.040 13.900 -9.122 1.00 5.22 H new ATOM 0 HG21 THR A 121 -3.482 11.950 -8.026 1.00 45.30 H new ATOM 0 HG22 THR A 121 -3.871 10.449 -8.900 1.00 45.30 H new ATOM 0 HG23 THR A 121 -3.136 11.819 -9.766 1.00 45.30 H new ATOM 1874 N ARG A 122 -4.632 9.491 -11.303 1.00 74.31 N ATOM 1875 CA ARG A 122 -4.357 8.048 -11.433 1.00 34.02 C ATOM 1876 C ARG A 122 -3.232 7.628 -10.459 1.00 24.13 C ATOM 1877 O ARG A 122 -2.182 8.258 -10.419 1.00 51.02 O ATOM 1878 CB ARG A 122 -3.955 7.747 -12.898 1.00 11.33 C ATOM 1879 CG ARG A 122 -3.692 6.264 -13.214 1.00 31.13 C ATOM 1880 CD ARG A 122 -3.427 6.033 -14.710 1.00 64.04 C ATOM 1881 NE ARG A 122 -4.576 6.440 -15.550 1.00 63.41 N ATOM 1882 CZ ARG A 122 -4.525 6.740 -16.830 1.00 55.11 C ATOM 1883 NH1 ARG A 122 -3.410 6.730 -17.484 1.00 73.31 N ATOM 1884 NH2 ARG A 122 -5.610 7.052 -17.454 1.00 51.40 N ATOM 0 H ARG A 122 -3.912 10.077 -11.727 1.00 74.31 H new ATOM 0 HA ARG A 122 -5.250 7.477 -11.179 1.00 34.02 H new ATOM 0 HB2 ARG A 122 -4.746 8.107 -13.556 1.00 11.33 H new ATOM 0 HB3 ARG A 122 -3.057 8.317 -13.136 1.00 11.33 H new ATOM 0 HG2 ARG A 122 -2.836 5.916 -12.636 1.00 31.13 H new ATOM 0 HG3 ARG A 122 -4.550 5.669 -12.902 1.00 31.13 H new ATOM 0 HD2 ARG A 122 -2.542 6.593 -15.011 1.00 64.04 H new ATOM 0 HD3 ARG A 122 -3.210 4.979 -14.880 1.00 64.04 H new ATOM 0 HE ARG A 122 -5.488 6.493 -15.096 1.00 63.41 H new ATOM 0 HH11 ARG A 122 -2.542 6.485 -17.008 1.00 73.31 H new ATOM 0 HH12 ARG A 122 -3.399 6.967 -18.476 1.00 73.31 H new ATOM 0 HH21 ARG A 122 -6.500 7.065 -16.955 1.00 51.40 H new ATOM 0 HH22 ARG A 122 -5.578 7.286 -18.446 1.00 51.40 H new ATOM 1898 N MET A 123 -3.465 6.574 -9.666 1.00 11.45 N ATOM 1899 CA MET A 123 -2.459 6.012 -8.743 1.00 44.13 C ATOM 1900 C MET A 123 -2.002 4.620 -9.219 1.00 74.43 C ATOM 1901 O MET A 123 -2.809 3.688 -9.289 1.00 35.45 O ATOM 1902 CB MET A 123 -3.040 5.900 -7.312 1.00 25.21 C ATOM 1903 CG MET A 123 -2.016 5.445 -6.257 1.00 72.54 C ATOM 1904 SD MET A 123 -2.704 5.367 -4.595 1.00 63.15 S ATOM 1905 CE MET A 123 -3.948 4.101 -4.805 1.00 35.00 C ATOM 0 H MET A 123 -4.358 6.082 -9.643 1.00 11.45 H new ATOM 0 HA MET A 123 -1.601 6.684 -8.732 1.00 44.13 H new ATOM 0 HB2 MET A 123 -3.444 6.869 -7.018 1.00 25.21 H new ATOM 0 HB3 MET A 123 -3.873 5.197 -7.323 1.00 25.21 H new ATOM 0 HG2 MET A 123 -1.632 4.463 -6.532 1.00 72.54 H new ATOM 0 HG3 MET A 123 -1.169 6.131 -6.262 1.00 72.54 H new ATOM 0 HE1 MET A 123 -4.937 4.559 -4.799 1.00 35.00 H new ATOM 0 HE2 MET A 123 -3.790 3.590 -5.755 1.00 35.00 H new ATOM 0 HE3 MET A 123 -3.876 3.382 -3.989 1.00 35.00 H new ATOM 1915 N THR A 124 -0.707 4.484 -9.531 1.00 34.24 N ATOM 1916 CA THR A 124 -0.094 3.191 -9.902 1.00 72.42 C ATOM 1917 C THR A 124 0.943 2.775 -8.830 1.00 70.11 C ATOM 1918 O THR A 124 1.957 3.462 -8.646 1.00 13.34 O ATOM 1919 CB THR A 124 0.568 3.263 -11.320 1.00 21.00 C ATOM 1920 OG1 THR A 124 -0.410 3.712 -12.278 1.00 21.25 O ATOM 1921 CG2 THR A 124 1.121 1.904 -11.782 1.00 43.12 C ATOM 0 H THR A 124 -0.050 5.264 -9.535 1.00 34.24 H new ATOM 0 HA THR A 124 -0.879 2.436 -9.946 1.00 72.42 H new ATOM 0 HB THR A 124 1.404 3.959 -11.252 1.00 21.00 H new ATOM 0 HG1 THR A 124 0.001 3.760 -13.167 1.00 21.25 H new ATOM 0 HG21 THR A 124 1.569 2.010 -12.770 1.00 43.12 H new ATOM 0 HG22 THR A 124 1.877 1.560 -11.076 1.00 43.12 H new ATOM 0 HG23 THR A 124 0.310 1.177 -11.827 1.00 43.12 H new ATOM 1929 N ILE A 125 0.660 1.671 -8.097 1.00 22.13 N ATOM 1930 CA ILE A 125 1.541 1.155 -7.015 1.00 3.04 C ATOM 1931 C ILE A 125 2.290 -0.116 -7.487 1.00 24.45 C ATOM 1932 O ILE A 125 1.656 -1.149 -7.698 1.00 35.35 O ATOM 1933 CB ILE A 125 0.726 0.803 -5.709 1.00 45.13 C ATOM 1934 CG1 ILE A 125 -0.238 1.966 -5.305 1.00 72.14 C ATOM 1935 CG2 ILE A 125 1.692 0.446 -4.539 1.00 70.54 C ATOM 1936 CD1 ILE A 125 -1.103 1.678 -4.081 1.00 22.10 C ATOM 0 H ILE A 125 -0.182 1.113 -8.237 1.00 22.13 H new ATOM 0 HA ILE A 125 2.252 1.948 -6.782 1.00 3.04 H new ATOM 0 HB ILE A 125 0.111 -0.071 -5.925 1.00 45.13 H new ATOM 0 HG12 ILE A 125 0.354 2.861 -5.113 1.00 72.14 H new ATOM 0 HG13 ILE A 125 -0.890 2.190 -6.150 1.00 72.14 H new ATOM 0 HG21 ILE A 125 1.111 0.207 -3.648 1.00 70.54 H new ATOM 0 HG22 ILE A 125 2.300 -0.415 -4.819 1.00 70.54 H new ATOM 0 HG23 ILE A 125 2.341 1.296 -4.331 1.00 70.54 H new ATOM 0 HD11 ILE A 125 -1.739 2.539 -3.874 1.00 22.10 H new ATOM 0 HD12 ILE A 125 -1.726 0.804 -4.273 1.00 22.10 H new ATOM 0 HD13 ILE A 125 -0.463 1.485 -3.220 1.00 22.10 H new ATOM 1948 N ILE A 126 3.628 -0.045 -7.637 1.00 22.51 N ATOM 1949 CA ILE A 126 4.443 -1.185 -8.140 1.00 65.13 C ATOM 1950 C ILE A 126 5.324 -1.773 -7.002 1.00 31.41 C ATOM 1951 O ILE A 126 6.252 -1.117 -6.535 1.00 11.22 O ATOM 1952 CB ILE A 126 5.381 -0.789 -9.363 1.00 73.01 C ATOM 1953 CG1 ILE A 126 4.627 0.054 -10.463 1.00 33.44 C ATOM 1954 CG2 ILE A 126 6.010 -2.064 -9.987 1.00 32.14 C ATOM 1955 CD1 ILE A 126 4.470 1.539 -10.154 1.00 42.30 C ATOM 0 H ILE A 126 4.174 0.788 -7.418 1.00 22.51 H new ATOM 0 HA ILE A 126 3.730 -1.930 -8.493 1.00 65.13 H new ATOM 0 HB ILE A 126 6.171 -0.150 -8.969 1.00 73.01 H new ATOM 0 HG12 ILE A 126 5.163 -0.049 -11.406 1.00 33.44 H new ATOM 0 HG13 ILE A 126 3.636 -0.376 -10.611 1.00 33.44 H new ATOM 0 HG21 ILE A 126 6.650 -1.782 -10.823 1.00 32.14 H new ATOM 0 HG22 ILE A 126 6.604 -2.583 -9.234 1.00 32.14 H new ATOM 0 HG23 ILE A 126 5.218 -2.724 -10.342 1.00 32.14 H new ATOM 0 HD11 ILE A 126 3.939 2.027 -10.972 1.00 42.30 H new ATOM 0 HD12 ILE A 126 3.904 1.661 -9.230 1.00 42.30 H new ATOM 0 HD13 ILE A 126 5.454 1.993 -10.039 1.00 42.30 H new ATOM 1967 N SER A 127 5.040 -3.024 -6.597 1.00 32.15 N ATOM 1968 CA SER A 127 5.705 -3.708 -5.461 1.00 0.11 C ATOM 1969 C SER A 127 6.769 -4.706 -5.970 1.00 53.15 C ATOM 1970 O SER A 127 6.423 -5.730 -6.569 1.00 45.25 O ATOM 1971 CB SER A 127 4.636 -4.433 -4.599 1.00 63.10 C ATOM 1972 OG SER A 127 5.187 -4.974 -3.412 1.00 32.13 O ATOM 0 H SER A 127 4.333 -3.601 -7.053 1.00 32.15 H new ATOM 0 HA SER A 127 6.215 -2.966 -4.846 1.00 0.11 H new ATOM 0 HB2 SER A 127 3.841 -3.732 -4.343 1.00 63.10 H new ATOM 0 HB3 SER A 127 4.180 -5.232 -5.184 1.00 63.10 H new ATOM 0 HG SER A 127 4.482 -5.420 -2.898 1.00 32.13 H new ATOM 1978 N THR A 128 8.059 -4.381 -5.756 1.00 42.11 N ATOM 1979 CA THR A 128 9.199 -5.232 -6.166 1.00 40.11 C ATOM 1980 C THR A 128 9.649 -6.156 -5.009 1.00 63.52 C ATOM 1981 O THR A 128 10.210 -5.701 -4.006 1.00 51.31 O ATOM 1982 CB THR A 128 10.415 -4.371 -6.660 1.00 1.33 C ATOM 1983 OG1 THR A 128 10.827 -3.454 -5.629 1.00 53.23 O ATOM 1984 CG2 THR A 128 10.078 -3.580 -7.942 1.00 40.42 C ATOM 0 H THR A 128 8.343 -3.518 -5.292 1.00 42.11 H new ATOM 0 HA THR A 128 8.853 -5.848 -6.996 1.00 40.11 H new ATOM 0 HB THR A 128 11.227 -5.061 -6.890 1.00 1.33 H new ATOM 0 HG1 THR A 128 10.865 -3.924 -4.770 1.00 53.23 H new ATOM 0 HG21 THR A 128 10.947 -2.998 -8.249 1.00 40.42 H new ATOM 0 HG22 THR A 128 9.807 -4.274 -8.737 1.00 40.42 H new ATOM 0 HG23 THR A 128 9.242 -2.908 -7.746 1.00 40.42 H new ATOM 1992 N PHE A 129 9.389 -7.456 -5.167 1.00 43.40 N ATOM 1993 CA PHE A 129 9.729 -8.498 -4.177 1.00 60.43 C ATOM 1994 C PHE A 129 11.210 -8.932 -4.322 1.00 12.13 C ATOM 1995 O PHE A 129 11.766 -8.882 -5.424 1.00 53.43 O ATOM 1996 CB PHE A 129 8.784 -9.718 -4.375 1.00 61.13 C ATOM 1997 CG PHE A 129 7.291 -9.352 -4.423 1.00 52.15 C ATOM 1998 CD1 PHE A 129 6.522 -9.303 -3.261 1.00 51.32 C ATOM 1999 CD2 PHE A 129 6.659 -9.052 -5.634 1.00 12.43 C ATOM 2000 CE1 PHE A 129 5.181 -8.961 -3.308 1.00 51.15 C ATOM 2001 CE2 PHE A 129 5.320 -8.718 -5.678 1.00 64.44 C ATOM 2002 CZ PHE A 129 4.581 -8.671 -4.515 1.00 64.11 C ATOM 0 H PHE A 129 8.929 -7.827 -5.998 1.00 43.40 H new ATOM 0 HA PHE A 129 9.596 -8.094 -3.173 1.00 60.43 H new ATOM 0 HB2 PHE A 129 9.053 -10.226 -5.301 1.00 61.13 H new ATOM 0 HB3 PHE A 129 8.948 -10.427 -3.563 1.00 61.13 H new ATOM 0 HD1 PHE A 129 6.979 -9.535 -2.310 1.00 51.32 H new ATOM 0 HD2 PHE A 129 7.228 -9.082 -6.551 1.00 12.43 H new ATOM 0 HE1 PHE A 129 4.603 -8.921 -2.396 1.00 51.15 H new ATOM 0 HE2 PHE A 129 4.851 -8.493 -6.625 1.00 64.44 H new ATOM 0 HZ PHE A 129 3.534 -8.408 -4.549 1.00 64.11 H new ATOM 2012 N GLU A 130 11.836 -9.351 -3.203 1.00 21.42 N ATOM 2013 CA GLU A 130 13.230 -9.875 -3.173 1.00 72.23 C ATOM 2014 C GLU A 130 13.400 -11.110 -4.095 1.00 12.15 C ATOM 2015 O GLU A 130 14.364 -11.206 -4.865 1.00 22.23 O ATOM 2016 CB GLU A 130 13.635 -10.282 -1.721 1.00 62.33 C ATOM 2017 CG GLU A 130 13.393 -9.217 -0.630 1.00 5.41 C ATOM 2018 CD GLU A 130 14.212 -7.932 -0.816 1.00 31.23 C ATOM 2019 OE1 GLU A 130 15.358 -7.873 -0.324 1.00 40.34 O ATOM 2020 OE2 GLU A 130 13.726 -6.979 -1.459 1.00 3.41 O ATOM 0 H GLU A 130 11.391 -9.338 -2.285 1.00 21.42 H new ATOM 0 HA GLU A 130 13.875 -9.073 -3.532 1.00 72.23 H new ATOM 0 HB2 GLU A 130 13.085 -11.183 -1.450 1.00 62.33 H new ATOM 0 HB3 GLU A 130 14.694 -10.542 -1.719 1.00 62.33 H new ATOM 0 HG2 GLU A 130 12.334 -8.961 -0.616 1.00 5.41 H new ATOM 0 HG3 GLU A 130 13.630 -9.648 0.343 1.00 5.41 H new ATOM 2027 N SER A 131 12.439 -12.055 -3.999 1.00 34.14 N ATOM 2028 CA SER A 131 12.508 -13.365 -4.689 1.00 11.33 C ATOM 2029 C SER A 131 11.126 -13.834 -5.192 1.00 1.21 C ATOM 2030 O SER A 131 10.075 -13.337 -4.758 1.00 60.11 O ATOM 2031 CB SER A 131 13.117 -14.429 -3.739 1.00 60.30 C ATOM 2032 OG SER A 131 14.469 -14.127 -3.402 1.00 11.42 O ATOM 0 H SER A 131 11.594 -11.933 -3.442 1.00 34.14 H new ATOM 0 HA SER A 131 13.147 -13.242 -5.564 1.00 11.33 H new ATOM 0 HB2 SER A 131 12.520 -14.488 -2.829 1.00 60.30 H new ATOM 0 HB3 SER A 131 13.071 -15.409 -4.214 1.00 60.30 H new ATOM 0 HG SER A 131 14.819 -14.818 -2.801 1.00 11.42 H new ATOM 2038 N GLU A 132 11.159 -14.802 -6.132 1.00 42.25 N ATOM 2039 CA GLU A 132 9.955 -15.435 -6.716 1.00 63.42 C ATOM 2040 C GLU A 132 9.119 -16.163 -5.647 1.00 21.41 C ATOM 2041 O GLU A 132 7.930 -15.899 -5.505 1.00 34.52 O ATOM 2042 CB GLU A 132 10.365 -16.428 -7.837 1.00 61.42 C ATOM 2043 CG GLU A 132 9.197 -17.232 -8.443 1.00 25.03 C ATOM 2044 CD GLU A 132 9.648 -18.197 -9.546 1.00 12.45 C ATOM 2045 OE1 GLU A 132 10.164 -19.289 -9.219 1.00 53.54 O ATOM 2046 OE2 GLU A 132 9.495 -17.865 -10.743 1.00 14.23 O ATOM 0 H GLU A 132 12.031 -15.171 -6.512 1.00 42.25 H new ATOM 0 HA GLU A 132 9.337 -14.643 -7.140 1.00 63.42 H new ATOM 0 HB2 GLU A 132 10.858 -15.872 -8.634 1.00 61.42 H new ATOM 0 HB3 GLU A 132 11.099 -17.126 -7.435 1.00 61.42 H new ATOM 0 HG2 GLU A 132 8.702 -17.797 -7.653 1.00 25.03 H new ATOM 0 HG3 GLU A 132 8.459 -16.541 -8.851 1.00 25.03 H new ATOM 2053 N GLU A 133 9.770 -17.063 -4.890 1.00 51.51 N ATOM 2054 CA GLU A 133 9.117 -17.851 -3.808 1.00 42.04 C ATOM 2055 C GLU A 133 8.421 -16.946 -2.751 1.00 15.23 C ATOM 2056 O GLU A 133 7.443 -17.361 -2.116 1.00 31.44 O ATOM 2057 CB GLU A 133 10.168 -18.773 -3.138 1.00 54.20 C ATOM 2058 CG GLU A 133 11.366 -18.025 -2.513 1.00 4.04 C ATOM 2059 CD GLU A 133 12.475 -18.969 -2.027 1.00 11.14 C ATOM 2060 OE1 GLU A 133 13.360 -19.330 -2.839 1.00 32.20 O ATOM 2061 OE2 GLU A 133 12.455 -19.370 -0.845 1.00 53.30 O ATOM 0 H GLU A 133 10.762 -17.271 -5.004 1.00 51.51 H new ATOM 0 HA GLU A 133 8.332 -18.457 -4.260 1.00 42.04 H new ATOM 0 HB2 GLU A 133 9.677 -19.360 -2.362 1.00 54.20 H new ATOM 0 HB3 GLU A 133 10.542 -19.477 -3.881 1.00 54.20 H new ATOM 0 HG2 GLU A 133 11.780 -17.335 -3.248 1.00 4.04 H new ATOM 0 HG3 GLU A 133 11.015 -17.424 -1.674 1.00 4.04 H new ATOM 2068 N GLN A 134 8.938 -15.703 -2.587 1.00 13.23 N ATOM 2069 CA GLN A 134 8.310 -14.672 -1.740 1.00 53.53 C ATOM 2070 C GLN A 134 6.980 -14.178 -2.351 1.00 71.14 C ATOM 2071 O GLN A 134 5.975 -14.134 -1.658 1.00 13.24 O ATOM 2072 CB GLN A 134 9.260 -13.469 -1.526 1.00 31.53 C ATOM 2073 CG GLN A 134 8.592 -12.265 -0.813 1.00 23.42 C ATOM 2074 CD GLN A 134 9.485 -11.044 -0.690 1.00 61.20 C ATOM 2075 OE1 GLN A 134 10.384 -10.851 -1.482 1.00 4.00 O ATOM 2076 NE2 GLN A 134 9.206 -10.189 0.266 1.00 51.35 N ATOM 0 H GLN A 134 9.799 -15.393 -3.038 1.00 13.23 H new ATOM 0 HA GLN A 134 8.103 -15.134 -0.775 1.00 53.53 H new ATOM 0 HB2 GLN A 134 10.119 -13.796 -0.940 1.00 31.53 H new ATOM 0 HB3 GLN A 134 9.640 -13.141 -2.494 1.00 31.53 H new ATOM 0 HG2 GLN A 134 7.690 -11.988 -1.359 1.00 23.42 H new ATOM 0 HG3 GLN A 134 8.279 -12.575 0.184 1.00 23.42 H new ATOM 0 HE21 GLN A 134 8.443 -10.381 0.916 1.00 51.35 H new ATOM 0 HE22 GLN A 134 9.752 -9.332 0.359 1.00 51.35 H new ATOM 2085 N MET A 135 6.987 -13.787 -3.647 1.00 52.31 N ATOM 2086 CA MET A 135 5.771 -13.238 -4.317 1.00 41.10 C ATOM 2087 C MET A 135 4.671 -14.315 -4.478 1.00 75.23 C ATOM 2088 O MET A 135 3.480 -13.994 -4.536 1.00 45.10 O ATOM 2089 CB MET A 135 6.104 -12.561 -5.674 1.00 61.33 C ATOM 2090 CG MET A 135 6.438 -13.473 -6.860 1.00 73.03 C ATOM 2091 SD MET A 135 6.742 -12.528 -8.370 1.00 41.33 S ATOM 2092 CE MET A 135 5.212 -11.593 -8.551 1.00 51.23 C ATOM 0 H MET A 135 7.809 -13.838 -4.249 1.00 52.31 H new ATOM 0 HA MET A 135 5.377 -12.461 -3.662 1.00 41.10 H new ATOM 0 HB2 MET A 135 5.254 -11.940 -5.957 1.00 61.33 H new ATOM 0 HB3 MET A 135 6.950 -11.891 -5.517 1.00 61.33 H new ATOM 0 HG2 MET A 135 7.318 -14.071 -6.622 1.00 73.03 H new ATOM 0 HG3 MET A 135 5.616 -14.169 -7.026 1.00 73.03 H new ATOM 0 HE1 MET A 135 4.955 -11.517 -9.607 1.00 51.23 H new ATOM 0 HE2 MET A 135 4.409 -12.102 -8.018 1.00 51.23 H new ATOM 0 HE3 MET A 135 5.345 -10.593 -8.138 1.00 51.23 H new ATOM 2102 N GLN A 136 5.096 -15.592 -4.568 1.00 31.32 N ATOM 2103 CA GLN A 136 4.186 -16.751 -4.519 1.00 61.14 C ATOM 2104 C GLN A 136 3.523 -16.840 -3.124 1.00 64.01 C ATOM 2105 O GLN A 136 2.310 -16.993 -3.017 1.00 42.14 O ATOM 2106 CB GLN A 136 4.961 -18.061 -4.830 1.00 4.03 C ATOM 2107 CG GLN A 136 5.703 -18.078 -6.185 1.00 13.24 C ATOM 2108 CD GLN A 136 4.808 -17.877 -7.413 1.00 1.04 C ATOM 2109 OE1 GLN A 136 3.642 -18.261 -7.429 1.00 63.25 O ATOM 2110 NE2 GLN A 136 5.356 -17.280 -8.459 1.00 51.03 N ATOM 0 H GLN A 136 6.078 -15.847 -4.676 1.00 31.32 H new ATOM 0 HA GLN A 136 3.410 -16.622 -5.273 1.00 61.14 H new ATOM 0 HB2 GLN A 136 5.686 -18.234 -4.034 1.00 4.03 H new ATOM 0 HB3 GLN A 136 4.259 -18.894 -4.808 1.00 4.03 H new ATOM 0 HG2 GLN A 136 6.464 -17.297 -6.176 1.00 13.24 H new ATOM 0 HG3 GLN A 136 6.224 -19.030 -6.285 1.00 13.24 H new ATOM 0 HE21 GLN A 136 6.327 -16.971 -8.419 1.00 51.03 H new ATOM 0 HE22 GLN A 136 4.807 -17.129 -9.305 1.00 51.03 H new ATOM 2119 N LYS A 137 4.362 -16.703 -2.072 1.00 33.11 N ATOM 2120 CA LYS A 137 3.934 -16.685 -0.646 1.00 43.41 C ATOM 2121 C LYS A 137 2.950 -15.515 -0.353 1.00 21.52 C ATOM 2122 O LYS A 137 2.007 -15.658 0.437 1.00 41.15 O ATOM 2123 CB LYS A 137 5.199 -16.572 0.247 1.00 1.24 C ATOM 2124 CG LYS A 137 4.945 -16.508 1.763 1.00 12.51 C ATOM 2125 CD LYS A 137 4.315 -17.803 2.326 1.00 32.35 C ATOM 2126 CE LYS A 137 4.061 -17.709 3.833 1.00 43.51 C ATOM 2127 NZ LYS A 137 3.585 -18.989 4.406 1.00 0.10 N ATOM 0 H LYS A 137 5.370 -16.600 -2.187 1.00 33.11 H new ATOM 0 HA LYS A 137 3.399 -17.609 -0.425 1.00 43.41 H new ATOM 0 HB2 LYS A 137 5.843 -17.427 0.041 1.00 1.24 H new ATOM 0 HB3 LYS A 137 5.750 -15.679 -0.048 1.00 1.24 H new ATOM 0 HG2 LYS A 137 5.888 -16.317 2.276 1.00 12.51 H new ATOM 0 HG3 LYS A 137 4.287 -15.666 1.980 1.00 12.51 H new ATOM 0 HD2 LYS A 137 3.375 -18.002 1.812 1.00 32.35 H new ATOM 0 HD3 LYS A 137 4.975 -18.646 2.121 1.00 32.35 H new ATOM 0 HE2 LYS A 137 4.980 -17.409 4.336 1.00 43.51 H new ATOM 0 HE3 LYS A 137 3.323 -16.931 4.027 1.00 43.51 H new ATOM 0 HZ1 LYS A 137 3.732 -18.984 5.436 1.00 0.10 H new ATOM 0 HZ2 LYS A 137 2.572 -19.106 4.201 1.00 0.10 H new ATOM 0 HZ3 LYS A 137 4.116 -19.777 3.984 1.00 0.10 H new ATOM 2141 N MET A 138 3.195 -14.367 -1.004 1.00 5.32 N ATOM 2142 CA MET A 138 2.321 -13.182 -0.924 1.00 24.43 C ATOM 2143 C MET A 138 0.927 -13.496 -1.512 1.00 25.12 C ATOM 2144 O MET A 138 -0.096 -13.175 -0.909 1.00 40.52 O ATOM 2145 CB MET A 138 2.988 -12.001 -1.680 1.00 3.31 C ATOM 2146 CG MET A 138 4.327 -11.488 -1.086 1.00 61.02 C ATOM 2147 SD MET A 138 4.138 -10.184 0.161 1.00 0.04 S ATOM 2148 CE MET A 138 3.615 -11.077 1.620 1.00 51.01 C ATOM 0 H MET A 138 4.009 -14.232 -1.604 1.00 5.32 H new ATOM 0 HA MET A 138 2.185 -12.903 0.121 1.00 24.43 H new ATOM 0 HB2 MET A 138 3.164 -12.308 -2.711 1.00 3.31 H new ATOM 0 HB3 MET A 138 2.284 -11.170 -1.710 1.00 3.31 H new ATOM 0 HG2 MET A 138 4.858 -12.328 -0.639 1.00 61.02 H new ATOM 0 HG3 MET A 138 4.951 -11.112 -1.897 1.00 61.02 H new ATOM 0 HE1 MET A 138 3.889 -10.511 2.511 1.00 51.01 H new ATOM 0 HE2 MET A 138 2.534 -11.213 1.595 1.00 51.01 H new ATOM 0 HE3 MET A 138 4.103 -12.051 1.645 1.00 51.01 H new ATOM 2158 N ALA A 139 0.921 -14.155 -2.684 1.00 42.43 N ATOM 2159 CA ALA A 139 -0.313 -14.622 -3.355 1.00 54.41 C ATOM 2160 C ALA A 139 -1.109 -15.628 -2.489 1.00 42.41 C ATOM 2161 O ALA A 139 -2.344 -15.652 -2.542 1.00 72.10 O ATOM 2162 CB ALA A 139 0.043 -15.227 -4.721 1.00 14.23 C ATOM 0 H ALA A 139 1.773 -14.381 -3.197 1.00 42.43 H new ATOM 0 HA ALA A 139 -0.965 -13.761 -3.501 1.00 54.41 H new ATOM 0 HB1 ALA A 139 -0.866 -15.571 -5.215 1.00 14.23 H new ATOM 0 HB2 ALA A 139 0.528 -14.471 -5.339 1.00 14.23 H new ATOM 0 HB3 ALA A 139 0.720 -16.069 -4.580 1.00 14.23 H new ATOM 2168 N GLU A 140 -0.389 -16.450 -1.696 1.00 30.25 N ATOM 2169 CA GLU A 140 -1.012 -17.392 -0.727 1.00 61.13 C ATOM 2170 C GLU A 140 -1.766 -16.623 0.382 1.00 35.33 C ATOM 2171 O GLU A 140 -2.856 -17.018 0.801 1.00 72.20 O ATOM 2172 CB GLU A 140 0.060 -18.326 -0.091 1.00 61.34 C ATOM 2173 CG GLU A 140 0.955 -19.093 -1.087 1.00 51.11 C ATOM 2174 CD GLU A 140 0.188 -19.973 -2.086 1.00 71.03 C ATOM 2175 OE1 GLU A 140 -0.176 -19.483 -3.178 1.00 2.44 O ATOM 2176 OE2 GLU A 140 -0.045 -21.164 -1.789 1.00 40.43 O ATOM 0 H GLU A 140 0.630 -16.484 -1.705 1.00 30.25 H new ATOM 0 HA GLU A 140 -1.727 -18.005 -1.275 1.00 61.13 H new ATOM 0 HB2 GLU A 140 0.700 -17.726 0.556 1.00 61.34 H new ATOM 0 HB3 GLU A 140 -0.448 -19.051 0.545 1.00 61.34 H new ATOM 0 HG2 GLU A 140 1.557 -18.374 -1.643 1.00 51.11 H new ATOM 0 HG3 GLU A 140 1.647 -19.721 -0.525 1.00 51.11 H new ATOM 2183 N MET A 141 -1.159 -15.512 0.838 1.00 2.53 N ATOM 2184 CA MET A 141 -1.762 -14.591 1.837 1.00 24.10 C ATOM 2185 C MET A 141 -2.881 -13.715 1.224 1.00 44.43 C ATOM 2186 O MET A 141 -3.653 -13.083 1.962 1.00 34.23 O ATOM 2187 CB MET A 141 -0.652 -13.682 2.429 1.00 30.22 C ATOM 2188 CG MET A 141 0.358 -14.423 3.305 1.00 54.40 C ATOM 2189 SD MET A 141 -0.371 -15.015 4.846 1.00 72.44 S ATOM 2190 CE MET A 141 -0.724 -13.479 5.714 1.00 3.33 C ATOM 0 H MET A 141 -0.232 -15.221 0.527 1.00 2.53 H new ATOM 0 HA MET A 141 -2.216 -15.198 2.620 1.00 24.10 H new ATOM 0 HB2 MET A 141 -0.120 -13.196 1.611 1.00 30.22 H new ATOM 0 HB3 MET A 141 -1.119 -12.893 3.019 1.00 30.22 H new ATOM 0 HG2 MET A 141 0.764 -15.269 2.750 1.00 54.40 H new ATOM 0 HG3 MET A 141 1.193 -13.760 3.532 1.00 54.40 H new ATOM 0 HE1 MET A 141 -0.870 -13.685 6.774 1.00 3.33 H new ATOM 0 HE2 MET A 141 0.112 -12.790 5.590 1.00 3.33 H new ATOM 0 HE3 MET A 141 -1.629 -13.029 5.304 1.00 3.33 H new ATOM 2200 N GLY A 142 -2.953 -13.677 -0.123 1.00 13.52 N ATOM 2201 CA GLY A 142 -3.872 -12.788 -0.829 1.00 33.20 C ATOM 2202 C GLY A 142 -3.435 -11.326 -0.746 1.00 1.43 C ATOM 2203 O GLY A 142 -4.247 -10.452 -0.456 1.00 24.11 O ATOM 0 H GLY A 142 -2.380 -14.257 -0.736 1.00 13.52 H new ATOM 0 HA2 GLY A 142 -3.935 -13.088 -1.875 1.00 33.20 H new ATOM 0 HA3 GLY A 142 -4.872 -12.892 -0.407 1.00 33.20 H new ATOM 2207 N MET A 143 -2.133 -11.081 -0.975 1.00 22.31 N ATOM 2208 CA MET A 143 -1.531 -9.724 -0.941 1.00 31.24 C ATOM 2209 C MET A 143 -2.044 -8.876 -2.117 1.00 61.43 C ATOM 2210 O MET A 143 -2.401 -7.708 -1.947 1.00 41.24 O ATOM 2211 CB MET A 143 0.013 -9.841 -0.995 1.00 72.02 C ATOM 2212 CG MET A 143 0.791 -8.522 -0.899 1.00 63.22 C ATOM 2213 SD MET A 143 0.506 -7.672 0.668 1.00 43.34 S ATOM 2214 CE MET A 143 1.718 -6.348 0.587 1.00 12.24 C ATOM 0 H MET A 143 -1.461 -11.817 -1.190 1.00 22.31 H new ATOM 0 HA MET A 143 -1.821 -9.230 -0.014 1.00 31.24 H new ATOM 0 HB2 MET A 143 0.337 -10.491 -0.182 1.00 72.02 H new ATOM 0 HB3 MET A 143 0.288 -10.335 -1.927 1.00 72.02 H new ATOM 0 HG2 MET A 143 1.856 -8.722 -1.013 1.00 63.22 H new ATOM 0 HG3 MET A 143 0.499 -7.870 -1.722 1.00 63.22 H new ATOM 0 HE1 MET A 143 1.655 -5.742 1.491 1.00 12.24 H new ATOM 0 HE2 MET A 143 2.718 -6.774 0.505 1.00 12.24 H new ATOM 0 HE3 MET A 143 1.517 -5.724 -0.284 1.00 12.24 H new ATOM 2224 N GLU A 144 -2.087 -9.503 -3.305 1.00 31.03 N ATOM 2225 CA GLU A 144 -2.610 -8.884 -4.535 1.00 55.32 C ATOM 2226 C GLU A 144 -4.098 -8.464 -4.384 1.00 14.00 C ATOM 2227 O GLU A 144 -4.502 -7.355 -4.763 1.00 62.34 O ATOM 2228 CB GLU A 144 -2.442 -9.845 -5.751 1.00 61.02 C ATOM 2229 CG GLU A 144 -0.967 -10.134 -6.171 1.00 25.34 C ATOM 2230 CD GLU A 144 -0.322 -11.340 -5.466 1.00 71.31 C ATOM 2231 OE1 GLU A 144 0.087 -11.224 -4.285 1.00 22.31 O ATOM 2232 OE2 GLU A 144 -0.238 -12.409 -6.098 1.00 24.24 O ATOM 0 H GLU A 144 -1.758 -10.459 -3.440 1.00 31.03 H new ATOM 0 HA GLU A 144 -2.027 -7.981 -4.714 1.00 55.32 H new ATOM 0 HB2 GLU A 144 -2.928 -10.792 -5.515 1.00 61.02 H new ATOM 0 HB3 GLU A 144 -2.969 -9.420 -6.605 1.00 61.02 H new ATOM 0 HG2 GLU A 144 -0.936 -10.301 -7.248 1.00 25.34 H new ATOM 0 HG3 GLU A 144 -0.366 -9.248 -5.968 1.00 25.34 H new ATOM 2239 N GLU A 145 -4.879 -9.380 -3.803 1.00 15.04 N ATOM 2240 CA GLU A 145 -6.334 -9.230 -3.570 1.00 33.15 C ATOM 2241 C GLU A 145 -6.629 -8.251 -2.398 1.00 14.34 C ATOM 2242 O GLU A 145 -7.578 -7.458 -2.458 1.00 31.23 O ATOM 2243 CB GLU A 145 -6.901 -10.650 -3.283 1.00 41.10 C ATOM 2244 CG GLU A 145 -6.629 -11.671 -4.414 1.00 42.11 C ATOM 2245 CD GLU A 145 -6.875 -13.127 -3.988 1.00 30.51 C ATOM 2246 OE1 GLU A 145 -5.997 -13.708 -3.320 1.00 52.31 O ATOM 2247 OE2 GLU A 145 -7.939 -13.693 -4.305 1.00 22.14 O ATOM 0 H GLU A 145 -4.515 -10.273 -3.470 1.00 15.04 H new ATOM 0 HA GLU A 145 -6.815 -8.798 -4.447 1.00 33.15 H new ATOM 0 HB2 GLU A 145 -6.466 -11.024 -2.356 1.00 41.10 H new ATOM 0 HB3 GLU A 145 -7.977 -10.576 -3.124 1.00 41.10 H new ATOM 0 HG2 GLU A 145 -7.266 -11.436 -5.267 1.00 42.11 H new ATOM 0 HG3 GLU A 145 -5.597 -11.567 -4.748 1.00 42.11 H new ATOM 2254 N GLY A 146 -5.768 -8.306 -1.362 1.00 22.32 N ATOM 2255 CA GLY A 146 -5.922 -7.495 -0.141 1.00 35.01 C ATOM 2256 C GLY A 146 -5.621 -6.011 -0.367 1.00 74.34 C ATOM 2257 O GLY A 146 -6.345 -5.138 0.141 1.00 75.34 O ATOM 0 H GLY A 146 -4.948 -8.913 -1.350 1.00 22.32 H new ATOM 0 HA2 GLY A 146 -6.940 -7.601 0.233 1.00 35.01 H new ATOM 0 HA3 GLY A 146 -5.257 -7.881 0.632 1.00 35.01 H new ATOM 2261 N MET A 147 -4.530 -5.729 -1.128 1.00 41.21 N ATOM 2262 CA MET A 147 -4.221 -4.363 -1.614 1.00 33.13 C ATOM 2263 C MET A 147 -5.392 -3.816 -2.438 1.00 30.22 C ATOM 2264 O MET A 147 -5.865 -2.731 -2.160 1.00 54.15 O ATOM 2265 CB MET A 147 -2.922 -4.324 -2.470 1.00 73.52 C ATOM 2266 CG MET A 147 -1.619 -4.431 -1.676 1.00 34.52 C ATOM 2267 SD MET A 147 -0.148 -4.324 -2.726 1.00 24.24 S ATOM 2268 CE MET A 147 -0.253 -2.639 -3.339 1.00 64.54 C ATOM 0 H MET A 147 -3.851 -6.433 -1.417 1.00 41.21 H new ATOM 0 HA MET A 147 -4.062 -3.739 -0.735 1.00 33.13 H new ATOM 0 HB2 MET A 147 -2.957 -5.139 -3.193 1.00 73.52 H new ATOM 0 HB3 MET A 147 -2.908 -3.394 -3.039 1.00 73.52 H new ATOM 0 HG2 MET A 147 -1.587 -3.636 -0.931 1.00 34.52 H new ATOM 0 HG3 MET A 147 -1.605 -5.377 -1.134 1.00 34.52 H new ATOM 0 HE1 MET A 147 -0.371 -2.653 -4.422 1.00 64.54 H new ATOM 0 HE2 MET A 147 -1.110 -2.140 -2.887 1.00 64.54 H new ATOM 0 HE3 MET A 147 0.659 -2.100 -3.081 1.00 64.54 H new ATOM 2278 N ARG A 148 -5.871 -4.613 -3.415 1.00 52.04 N ATOM 2279 CA ARG A 148 -6.946 -4.200 -4.344 1.00 23.23 C ATOM 2280 C ARG A 148 -8.220 -3.707 -3.599 1.00 43.14 C ATOM 2281 O ARG A 148 -8.744 -2.649 -3.924 1.00 33.24 O ATOM 2282 CB ARG A 148 -7.294 -5.369 -5.295 1.00 71.34 C ATOM 2283 CG ARG A 148 -8.453 -5.066 -6.266 1.00 0.32 C ATOM 2284 CD ARG A 148 -8.770 -6.233 -7.205 1.00 34.21 C ATOM 2285 NE ARG A 148 -10.005 -5.990 -7.979 1.00 25.03 N ATOM 2286 CZ ARG A 148 -10.313 -6.555 -9.130 1.00 20.33 C ATOM 2287 NH1 ARG A 148 -9.499 -7.375 -9.718 1.00 34.00 N ATOM 2288 NH2 ARG A 148 -11.448 -6.291 -9.686 1.00 43.35 N ATOM 0 H ARG A 148 -5.526 -5.558 -3.583 1.00 52.04 H new ATOM 0 HA ARG A 148 -6.573 -3.355 -4.923 1.00 23.23 H new ATOM 0 HB2 ARG A 148 -6.408 -5.629 -5.874 1.00 71.34 H new ATOM 0 HB3 ARG A 148 -7.553 -6.244 -4.699 1.00 71.34 H new ATOM 0 HG2 ARG A 148 -9.345 -4.817 -5.691 1.00 0.32 H new ATOM 0 HG3 ARG A 148 -8.201 -4.187 -6.860 1.00 0.32 H new ATOM 0 HD2 ARG A 148 -7.936 -6.387 -7.889 1.00 34.21 H new ATOM 0 HD3 ARG A 148 -8.879 -7.149 -6.624 1.00 34.21 H new ATOM 0 HE ARG A 148 -10.677 -5.329 -7.590 1.00 25.03 H new ATOM 0 HH11 ARG A 148 -8.599 -7.595 -9.291 1.00 34.00 H new ATOM 0 HH12 ARG A 148 -9.758 -7.800 -10.608 1.00 34.00 H new ATOM 0 HH21 ARG A 148 -12.100 -5.649 -9.235 1.00 43.35 H new ATOM 0 HH22 ARG A 148 -11.693 -6.724 -10.576 1.00 43.35 H new ATOM 2302 N GLU A 149 -8.679 -4.475 -2.585 1.00 52.43 N ATOM 2303 CA GLU A 149 -9.884 -4.118 -1.775 1.00 24.33 C ATOM 2304 C GLU A 149 -9.655 -2.863 -0.895 1.00 52.00 C ATOM 2305 O GLU A 149 -10.582 -2.068 -0.689 1.00 40.24 O ATOM 2306 CB GLU A 149 -10.316 -5.320 -0.904 1.00 73.13 C ATOM 2307 CG GLU A 149 -10.819 -6.527 -1.709 1.00 4.43 C ATOM 2308 CD GLU A 149 -11.219 -7.707 -0.814 1.00 44.22 C ATOM 2309 OE1 GLU A 149 -10.322 -8.461 -0.379 1.00 15.24 O ATOM 2310 OE2 GLU A 149 -12.429 -7.882 -0.536 1.00 52.22 O ATOM 0 H GLU A 149 -8.237 -5.350 -2.301 1.00 52.43 H new ATOM 0 HA GLU A 149 -10.684 -3.873 -2.474 1.00 24.33 H new ATOM 0 HB2 GLU A 149 -9.471 -5.633 -0.290 1.00 73.13 H new ATOM 0 HB3 GLU A 149 -11.103 -4.997 -0.223 1.00 73.13 H new ATOM 0 HG2 GLU A 149 -11.676 -6.226 -2.311 1.00 4.43 H new ATOM 0 HG3 GLU A 149 -10.040 -6.848 -2.401 1.00 4.43 H new ATOM 2317 N ALA A 150 -8.422 -2.711 -0.379 1.00 22.43 N ATOM 2318 CA ALA A 150 -7.996 -1.500 0.363 1.00 12.33 C ATOM 2319 C ALA A 150 -8.034 -0.245 -0.548 1.00 4.44 C ATOM 2320 O ALA A 150 -8.518 0.823 -0.159 1.00 12.52 O ATOM 2321 CB ALA A 150 -6.578 -1.714 0.925 1.00 22.11 C ATOM 0 H ALA A 150 -7.692 -3.418 -0.462 1.00 22.43 H new ATOM 0 HA ALA A 150 -8.690 -1.333 1.187 1.00 12.33 H new ATOM 0 HB1 ALA A 150 -6.265 -0.824 1.470 1.00 22.11 H new ATOM 0 HB2 ALA A 150 -6.579 -2.571 1.599 1.00 22.11 H new ATOM 0 HB3 ALA A 150 -5.885 -1.899 0.104 1.00 22.11 H new ATOM 2327 N ILE A 151 -7.542 -0.425 -1.781 1.00 40.02 N ATOM 2328 CA ILE A 151 -7.443 0.631 -2.807 1.00 62.23 C ATOM 2329 C ILE A 151 -8.837 0.945 -3.428 1.00 20.34 C ATOM 2330 O ILE A 151 -9.085 2.053 -3.922 1.00 75.41 O ATOM 2331 CB ILE A 151 -6.364 0.211 -3.883 1.00 40.54 C ATOM 2332 CG1 ILE A 151 -4.968 0.016 -3.187 1.00 64.25 C ATOM 2333 CG2 ILE A 151 -6.255 1.235 -5.034 1.00 11.03 C ATOM 2334 CD1 ILE A 151 -3.921 -0.707 -4.023 1.00 22.00 C ATOM 0 H ILE A 151 -7.193 -1.328 -2.104 1.00 40.02 H new ATOM 0 HA ILE A 151 -7.110 1.562 -2.348 1.00 62.23 H new ATOM 0 HB ILE A 151 -6.687 -0.731 -4.326 1.00 40.54 H new ATOM 0 HG12 ILE A 151 -4.577 0.996 -2.913 1.00 64.25 H new ATOM 0 HG13 ILE A 151 -5.116 -0.539 -2.261 1.00 64.25 H new ATOM 0 HG21 ILE A 151 -5.501 0.902 -5.747 1.00 11.03 H new ATOM 0 HG22 ILE A 151 -7.218 1.320 -5.537 1.00 11.03 H new ATOM 0 HG23 ILE A 151 -5.969 2.206 -4.631 1.00 11.03 H new ATOM 0 HD11 ILE A 151 -2.995 -0.791 -3.454 1.00 22.00 H new ATOM 0 HD12 ILE A 151 -4.282 -1.704 -4.276 1.00 22.00 H new ATOM 0 HD13 ILE A 151 -3.735 -0.145 -4.938 1.00 22.00 H new ATOM 2346 N GLU A 152 -9.754 -0.033 -3.360 1.00 3.34 N ATOM 2347 CA GLU A 152 -11.188 0.175 -3.658 1.00 0.44 C ATOM 2348 C GLU A 152 -11.856 1.035 -2.560 1.00 64.52 C ATOM 2349 O GLU A 152 -12.743 1.844 -2.847 1.00 72.41 O ATOM 2350 CB GLU A 152 -11.931 -1.185 -3.770 1.00 62.45 C ATOM 2351 CG GLU A 152 -11.642 -1.985 -5.053 1.00 63.12 C ATOM 2352 CD GLU A 152 -12.297 -3.375 -5.054 1.00 0.42 C ATOM 2353 OE1 GLU A 152 -13.532 -3.456 -4.875 1.00 70.24 O ATOM 2354 OE2 GLU A 152 -11.594 -4.387 -5.237 1.00 1.45 O ATOM 0 H GLU A 152 -9.526 -0.992 -3.097 1.00 3.34 H new ATOM 0 HA GLU A 152 -11.255 0.698 -4.612 1.00 0.44 H new ATOM 0 HB2 GLU A 152 -11.664 -1.799 -2.910 1.00 62.45 H new ATOM 0 HB3 GLU A 152 -13.004 -1.001 -3.709 1.00 62.45 H new ATOM 0 HG2 GLU A 152 -11.999 -1.421 -5.915 1.00 63.12 H new ATOM 0 HG3 GLU A 152 -10.564 -2.097 -5.170 1.00 63.12 H new ATOM 2361 N GLN A 153 -11.410 0.854 -1.303 1.00 63.04 N ATOM 2362 CA GLN A 153 -11.997 1.542 -0.135 1.00 31.23 C ATOM 2363 C GLN A 153 -11.468 3.000 -0.019 1.00 13.11 C ATOM 2364 O GLN A 153 -12.071 3.826 0.665 1.00 72.12 O ATOM 2365 CB GLN A 153 -11.730 0.710 1.155 1.00 21.12 C ATOM 2366 CG GLN A 153 -12.574 1.132 2.383 1.00 74.54 C ATOM 2367 CD GLN A 153 -12.576 0.083 3.498 1.00 43.31 C ATOM 2368 OE1 GLN A 153 -11.629 0.165 4.403 1.00 14.52 O flip ATOM 2369 NE2 GLN A 153 -13.428 -0.794 3.544 1.00 10.53 N flip ATOM 0 H GLN A 153 -10.637 0.231 -1.068 1.00 63.04 H new ATOM 0 HA GLN A 153 -13.076 1.616 -0.268 1.00 31.23 H new ATOM 0 HB2 GLN A 153 -11.926 -0.341 0.940 1.00 21.12 H new ATOM 0 HB3 GLN A 153 -10.674 0.792 1.412 1.00 21.12 H new ATOM 0 HG2 GLN A 153 -12.187 2.072 2.777 1.00 74.54 H new ATOM 0 HG3 GLN A 153 -13.600 1.318 2.065 1.00 74.54 H new ATOM 0 HE21 GLN A 153 -14.154 -0.837 2.829 1.00 10.53 H new ATOM 0 HE22 GLN A 153 -13.412 -1.482 4.297 1.00 10.53 H new ATOM 2378 N ILE A 154 -10.350 3.310 -0.728 1.00 44.13 N ATOM 2379 CA ILE A 154 -9.865 4.708 -0.929 1.00 21.45 C ATOM 2380 C ILE A 154 -10.951 5.586 -1.588 1.00 14.45 C ATOM 2381 O ILE A 154 -11.110 6.764 -1.245 1.00 11.41 O ATOM 2382 CB ILE A 154 -8.573 4.750 -1.826 1.00 53.13 C ATOM 2383 CG1 ILE A 154 -7.409 3.985 -1.147 1.00 22.12 C ATOM 2384 CG2 ILE A 154 -8.151 6.207 -2.176 1.00 24.04 C ATOM 2385 CD1 ILE A 154 -6.139 3.891 -1.970 1.00 71.23 C ATOM 0 H ILE A 154 -9.762 2.606 -1.174 1.00 44.13 H new ATOM 0 HA ILE A 154 -9.628 5.099 0.060 1.00 21.45 H new ATOM 0 HB ILE A 154 -8.814 4.252 -2.765 1.00 53.13 H new ATOM 0 HG12 ILE A 154 -7.176 4.473 -0.201 1.00 22.12 H new ATOM 0 HG13 ILE A 154 -7.746 2.976 -0.910 1.00 22.12 H new ATOM 0 HG21 ILE A 154 -7.255 6.187 -2.796 1.00 24.04 H new ATOM 0 HG22 ILE A 154 -8.958 6.699 -2.720 1.00 24.04 H new ATOM 0 HG23 ILE A 154 -7.945 6.757 -1.258 1.00 24.04 H new ATOM 0 HD11 ILE A 154 -5.383 3.339 -1.411 1.00 71.23 H new ATOM 0 HD12 ILE A 154 -6.349 3.373 -2.906 1.00 71.23 H new ATOM 0 HD13 ILE A 154 -5.770 4.894 -2.185 1.00 71.23 H new ATOM 2397 N ASP A 155 -11.699 4.980 -2.524 1.00 44.25 N ATOM 2398 CA ASP A 155 -12.818 5.631 -3.222 1.00 74.04 C ATOM 2399 C ASP A 155 -13.912 6.062 -2.202 1.00 70.03 C ATOM 2400 O ASP A 155 -14.499 7.133 -2.325 1.00 71.54 O ATOM 2401 CB ASP A 155 -13.363 4.649 -4.293 1.00 75.31 C ATOM 2402 CG ASP A 155 -14.410 5.262 -5.228 1.00 12.31 C ATOM 2403 OD1 ASP A 155 -14.032 6.082 -6.089 1.00 2.54 O ATOM 2404 OD2 ASP A 155 -15.607 4.921 -5.112 1.00 44.41 O ATOM 0 H ASP A 155 -11.542 4.016 -2.820 1.00 44.25 H new ATOM 0 HA ASP A 155 -12.484 6.540 -3.723 1.00 74.04 H new ATOM 0 HB2 ASP A 155 -12.529 4.281 -4.891 1.00 75.31 H new ATOM 0 HB3 ASP A 155 -13.801 3.786 -3.790 1.00 75.31 H new ATOM 2409 N ALA A 156 -14.123 5.225 -1.164 1.00 55.44 N ATOM 2410 CA ALA A 156 -15.041 5.527 -0.035 1.00 3.25 C ATOM 2411 C ALA A 156 -14.474 6.619 0.911 1.00 64.41 C ATOM 2412 O ALA A 156 -15.232 7.321 1.568 1.00 31.44 O ATOM 2413 CB ALA A 156 -15.361 4.247 0.759 1.00 24.41 C ATOM 0 H ALA A 156 -13.663 4.318 -1.081 1.00 55.44 H new ATOM 0 HA ALA A 156 -15.961 5.920 -0.469 1.00 3.25 H new ATOM 0 HB1 ALA A 156 -16.034 4.488 1.582 1.00 24.41 H new ATOM 0 HB2 ALA A 156 -15.837 3.520 0.101 1.00 24.41 H new ATOM 0 HB3 ALA A 156 -14.438 3.826 1.157 1.00 24.41 H new ATOM 2419 N VAL A 157 -13.139 6.709 1.016 1.00 21.04 N ATOM 2420 CA VAL A 157 -12.452 7.709 1.884 1.00 3.21 C ATOM 2421 C VAL A 157 -12.556 9.136 1.287 1.00 60.22 C ATOM 2422 O VAL A 157 -12.916 10.091 1.984 1.00 13.40 O ATOM 2423 CB VAL A 157 -10.929 7.336 2.082 1.00 63.14 C ATOM 2424 CG1 VAL A 157 -10.161 8.397 2.923 1.00 30.41 C ATOM 2425 CG2 VAL A 157 -10.785 5.930 2.704 1.00 12.23 C ATOM 0 H VAL A 157 -12.498 6.099 0.509 1.00 21.04 H new ATOM 0 HA VAL A 157 -12.953 7.693 2.852 1.00 3.21 H new ATOM 0 HB VAL A 157 -10.473 7.327 1.092 1.00 63.14 H new ATOM 0 HG11 VAL A 157 -9.120 8.093 3.029 1.00 30.41 H new ATOM 0 HG12 VAL A 157 -10.207 9.363 2.420 1.00 30.41 H new ATOM 0 HG13 VAL A 157 -10.617 8.479 3.909 1.00 30.41 H new ATOM 0 HG21 VAL A 157 -9.728 5.695 2.831 1.00 12.23 H new ATOM 0 HG22 VAL A 157 -11.281 5.909 3.675 1.00 12.23 H new ATOM 0 HG23 VAL A 157 -11.244 5.192 2.046 1.00 12.23 H new ATOM 2435 N LEU A 158 -12.243 9.249 -0.019 1.00 51.42 N ATOM 2436 CA LEU A 158 -12.168 10.548 -0.728 1.00 33.34 C ATOM 2437 C LEU A 158 -13.571 11.085 -1.083 1.00 54.44 C ATOM 2438 O LEU A 158 -13.809 12.293 -1.027 1.00 21.55 O ATOM 2439 CB LEU A 158 -11.300 10.408 -2.011 1.00 14.22 C ATOM 2440 CG LEU A 158 -9.815 9.977 -1.779 1.00 64.01 C ATOM 2441 CD1 LEU A 158 -9.040 9.855 -3.107 1.00 30.30 C ATOM 2442 CD2 LEU A 158 -9.107 10.934 -0.791 1.00 71.15 C ATOM 0 H LEU A 158 -12.035 8.446 -0.613 1.00 51.42 H new ATOM 0 HA LEU A 158 -11.701 11.269 -0.057 1.00 33.34 H new ATOM 0 HB2 LEU A 158 -11.772 9.679 -2.670 1.00 14.22 H new ATOM 0 HB3 LEU A 158 -11.304 11.363 -2.537 1.00 14.22 H new ATOM 0 HG LEU A 158 -9.828 8.985 -1.328 1.00 64.01 H new ATOM 0 HD11 LEU A 158 -8.013 9.554 -2.902 1.00 30.30 H new ATOM 0 HD12 LEU A 158 -9.518 9.107 -3.740 1.00 30.30 H new ATOM 0 HD13 LEU A 158 -9.041 10.818 -3.618 1.00 30.30 H new ATOM 0 HD21 LEU A 158 -8.076 10.611 -0.648 1.00 71.15 H new ATOM 0 HD22 LEU A 158 -9.118 11.947 -1.194 1.00 71.15 H new ATOM 0 HD23 LEU A 158 -9.628 10.919 0.166 1.00 71.15 H new ATOM 2454 N SER A 159 -14.481 10.171 -1.452 1.00 5.22 N ATOM 2455 CA SER A 159 -15.876 10.512 -1.816 1.00 55.21 C ATOM 2456 C SER A 159 -16.786 10.550 -0.571 1.00 23.34 C ATOM 2457 O SER A 159 -17.465 11.547 -0.307 1.00 14.13 O ATOM 2458 CB SER A 159 -16.439 9.465 -2.813 1.00 42.10 C ATOM 2459 OG SER A 159 -17.704 9.853 -3.333 1.00 72.33 O ATOM 0 H SER A 159 -14.277 9.173 -1.508 1.00 5.22 H new ATOM 0 HA SER A 159 -15.863 11.500 -2.276 1.00 55.21 H new ATOM 0 HB2 SER A 159 -15.735 9.331 -3.634 1.00 42.10 H new ATOM 0 HB3 SER A 159 -16.533 8.501 -2.313 1.00 42.10 H new ATOM 0 HG SER A 159 -18.024 9.169 -3.958 1.00 72.33 H new ATOM 2465 N GLU A 160 -16.733 9.443 0.199 1.00 44.32 N ATOM 2466 CA GLU A 160 -17.709 9.099 1.266 1.00 20.43 C ATOM 2467 C GLU A 160 -19.171 9.198 0.717 1.00 3.12 C ATOM 2468 O GLU A 160 -19.869 10.196 0.928 1.00 55.43 O ATOM 2469 CB GLU A 160 -17.461 9.921 2.569 1.00 55.51 C ATOM 2470 CG GLU A 160 -17.692 9.124 3.873 1.00 21.33 C ATOM 2471 CD GLU A 160 -17.395 9.924 5.155 1.00 2.24 C ATOM 2472 OE1 GLU A 160 -16.216 10.021 5.550 1.00 21.30 O ATOM 2473 OE2 GLU A 160 -18.338 10.460 5.775 1.00 61.34 O ATOM 0 H GLU A 160 -15.996 8.745 0.098 1.00 44.32 H new ATOM 0 HA GLU A 160 -17.559 8.061 1.561 1.00 20.43 H new ATOM 0 HB2 GLU A 160 -16.437 10.294 2.561 1.00 55.51 H new ATOM 0 HB3 GLU A 160 -18.117 10.791 2.567 1.00 55.51 H new ATOM 0 HG2 GLU A 160 -18.727 8.784 3.901 1.00 21.33 H new ATOM 0 HG3 GLU A 160 -17.064 8.233 3.859 1.00 21.33 H new ATOM 2480 N PRO A 161 -19.629 8.135 -0.023 1.00 35.33 N ATOM 2481 CA PRO A 161 -20.827 8.192 -0.910 1.00 1.14 C ATOM 2482 C PRO A 161 -22.204 8.091 -0.178 1.00 3.03 C ATOM 2483 O PRO A 161 -22.830 7.027 -0.179 1.00 53.14 O ATOM 2484 CB PRO A 161 -20.584 6.971 -1.844 1.00 11.32 C ATOM 2485 CG PRO A 161 -19.916 5.962 -0.944 1.00 32.11 C ATOM 2486 CD PRO A 161 -18.999 6.779 -0.047 1.00 61.32 C ATOM 0 HA PRO A 161 -20.912 9.155 -1.413 1.00 1.14 H new ATOM 0 HB2 PRO A 161 -21.519 6.587 -2.253 1.00 11.32 H new ATOM 0 HB3 PRO A 161 -19.950 7.234 -2.691 1.00 11.32 H new ATOM 0 HG2 PRO A 161 -20.650 5.409 -0.358 1.00 32.11 H new ATOM 0 HG3 PRO A 161 -19.352 5.230 -1.522 1.00 32.11 H new ATOM 0 HD2 PRO A 161 -18.935 6.351 0.953 1.00 61.32 H new ATOM 0 HD3 PRO A 161 -17.984 6.817 -0.443 1.00 61.32 H new ATOM 2494 N ALA A 162 -22.652 9.213 0.443 1.00 3.22 N ATOM 2495 CA ALA A 162 -23.991 9.341 1.099 1.00 4.53 C ATOM 2496 C ALA A 162 -24.213 8.308 2.241 1.00 52.42 C ATOM 2497 O ALA A 162 -24.149 8.652 3.429 1.00 3.14 O ATOM 2498 CB ALA A 162 -25.120 9.285 0.040 1.00 52.54 C ATOM 0 H ALA A 162 -22.093 10.064 0.506 1.00 3.22 H new ATOM 0 HA ALA A 162 -24.020 10.318 1.581 1.00 4.53 H new ATOM 0 HB1 ALA A 162 -26.087 9.379 0.534 1.00 52.54 H new ATOM 0 HB2 ALA A 162 -24.994 10.102 -0.670 1.00 52.54 H new ATOM 0 HB3 ALA A 162 -25.075 8.334 -0.490 1.00 52.54 H new ATOM 2504 N ASN A 163 -24.478 7.045 1.847 1.00 73.42 N ATOM 2505 CA ASN A 163 -24.523 5.869 2.747 1.00 3.21 C ATOM 2506 C ASN A 163 -23.186 5.703 3.531 1.00 11.45 C ATOM 2507 O ASN A 163 -23.197 5.327 4.707 1.00 32.10 O ATOM 2508 CB ASN A 163 -24.806 4.607 1.882 1.00 11.54 C ATOM 2509 CG ASN A 163 -24.901 3.295 2.658 1.00 65.04 C ATOM 2510 OD1 ASN A 163 -25.368 3.253 3.792 1.00 35.14 O ATOM 2511 ND2 ASN A 163 -24.468 2.205 2.048 1.00 41.14 N ATOM 0 H ASN A 163 -24.671 6.807 0.874 1.00 73.42 H new ATOM 0 HA ASN A 163 -25.313 6.007 3.485 1.00 3.21 H new ATOM 0 HB2 ASN A 163 -25.740 4.759 1.341 1.00 11.54 H new ATOM 0 HB3 ASN A 163 -24.017 4.513 1.136 1.00 11.54 H new ATOM 0 HD21 ASN A 163 -24.518 1.302 2.520 1.00 41.14 H new ATOM 0 HD22 ASN A 163 -24.084 2.267 1.105 1.00 41.14 H new ATOM 2518 N ALA A 164 -22.056 5.974 2.826 1.00 25.44 N ATOM 2519 CA ALA A 164 -20.680 6.002 3.381 1.00 64.51 C ATOM 2520 C ALA A 164 -20.107 4.584 3.614 1.00 24.14 C ATOM 2521 O ALA A 164 -19.131 4.187 2.963 1.00 53.11 O ATOM 2522 CB ALA A 164 -20.588 6.875 4.651 1.00 34.23 C ATOM 0 H ALA A 164 -22.080 6.185 1.828 1.00 25.44 H new ATOM 0 HA ALA A 164 -20.051 6.470 2.623 1.00 64.51 H new ATOM 0 HB1 ALA A 164 -19.564 6.868 5.024 1.00 34.23 H new ATOM 0 HB2 ALA A 164 -20.880 7.898 4.411 1.00 34.23 H new ATOM 0 HB3 ALA A 164 -21.256 6.477 5.415 1.00 34.23 H new ATOM 2528 N LEU A 165 -20.714 3.837 4.553 1.00 32.24 N ATOM 2529 CA LEU A 165 -20.305 2.451 4.892 1.00 22.12 C ATOM 2530 C LEU A 165 -21.261 1.415 4.254 1.00 4.04 C ATOM 2531 O LEU A 165 -22.418 1.725 3.976 1.00 42.13 O ATOM 2532 CB LEU A 165 -20.211 2.308 6.446 1.00 21.24 C ATOM 2533 CG LEU A 165 -21.513 2.575 7.310 1.00 24.45 C ATOM 2534 CD1 LEU A 165 -22.480 1.364 7.356 1.00 53.43 C ATOM 2535 CD2 LEU A 165 -21.151 3.029 8.746 1.00 70.23 C ATOM 0 H LEU A 165 -21.505 4.173 5.103 1.00 32.24 H new ATOM 0 HA LEU A 165 -19.319 2.247 4.474 1.00 22.12 H new ATOM 0 HB2 LEU A 165 -19.869 1.297 6.666 1.00 21.24 H new ATOM 0 HB3 LEU A 165 -19.436 2.990 6.795 1.00 21.24 H new ATOM 0 HG LEU A 165 -22.043 3.382 6.804 1.00 24.45 H new ATOM 0 HD11 LEU A 165 -23.349 1.615 7.964 1.00 53.43 H new ATOM 0 HD12 LEU A 165 -22.803 1.118 6.345 1.00 53.43 H new ATOM 0 HD13 LEU A 165 -21.968 0.506 7.792 1.00 53.43 H new ATOM 0 HD21 LEU A 165 -22.065 3.204 9.313 1.00 70.23 H new ATOM 0 HD22 LEU A 165 -20.563 2.253 9.236 1.00 70.23 H new ATOM 0 HD23 LEU A 165 -20.570 3.950 8.701 1.00 70.23 H new ATOM 2547 N GLU A 166 -20.774 0.178 4.043 1.00 12.11 N ATOM 2548 CA GLU A 166 -21.569 -0.919 3.433 1.00 43.41 C ATOM 2549 C GLU A 166 -21.970 -1.973 4.493 1.00 74.31 C ATOM 2550 O GLU A 166 -21.138 -2.377 5.311 1.00 41.12 O ATOM 2551 CB GLU A 166 -20.745 -1.613 2.319 1.00 33.44 C ATOM 2552 CG GLU A 166 -20.201 -0.678 1.223 1.00 22.32 C ATOM 2553 CD GLU A 166 -19.478 -1.445 0.098 1.00 3.22 C ATOM 2554 OE1 GLU A 166 -18.367 -1.969 0.343 1.00 64.12 O ATOM 2555 OE2 GLU A 166 -20.034 -1.559 -1.022 1.00 62.33 O ATOM 0 H GLU A 166 -19.822 -0.095 4.288 1.00 12.11 H new ATOM 0 HA GLU A 166 -22.474 -0.482 3.011 1.00 43.41 H new ATOM 0 HB2 GLU A 166 -19.905 -2.132 2.781 1.00 33.44 H new ATOM 0 HB3 GLU A 166 -21.369 -2.373 1.848 1.00 33.44 H new ATOM 0 HG2 GLU A 166 -21.025 -0.105 0.797 1.00 22.32 H new ATOM 0 HG3 GLU A 166 -19.512 0.039 1.670 1.00 22.32 H new ATOM 2562 N HIS A 167 -23.245 -2.415 4.467 1.00 23.30 N ATOM 2563 CA HIS A 167 -23.726 -3.545 5.298 1.00 22.42 C ATOM 2564 C HIS A 167 -23.496 -4.903 4.568 1.00 35.44 C ATOM 2565 O HIS A 167 -24.318 -5.351 3.770 1.00 25.22 O ATOM 2566 CB HIS A 167 -25.216 -3.346 5.737 1.00 33.42 C ATOM 2567 CG HIS A 167 -26.211 -2.996 4.638 1.00 44.25 C ATOM 2568 ND1 HIS A 167 -26.643 -1.710 4.399 1.00 24.24 N ATOM 2569 CD2 HIS A 167 -26.878 -3.768 3.738 1.00 4.32 C ATOM 2570 CE1 HIS A 167 -27.519 -1.706 3.418 1.00 34.15 C ATOM 2571 NE2 HIS A 167 -27.678 -2.940 2.997 1.00 5.41 N ATOM 0 H HIS A 167 -23.967 -2.004 3.875 1.00 23.30 H new ATOM 0 HA HIS A 167 -23.138 -3.567 6.216 1.00 22.42 H new ATOM 0 HB2 HIS A 167 -25.553 -4.262 6.222 1.00 33.42 H new ATOM 0 HB3 HIS A 167 -25.247 -2.557 6.488 1.00 33.42 H new ATOM 0 HD2 HIS A 167 -26.792 -4.839 3.628 1.00 4.32 H new ATOM 0 HE1 HIS A 167 -28.023 -0.835 3.025 1.00 34.15 H new ATOM 0 HE2 HIS A 167 -28.297 -3.234 2.241 1.00 5.41 H new ATOM 2580 N HIS A 168 -22.319 -5.516 4.802 1.00 73.31 N ATOM 2581 CA HIS A 168 -21.993 -6.865 4.289 1.00 14.42 C ATOM 2582 C HIS A 168 -22.550 -7.948 5.246 1.00 23.12 C ATOM 2583 O HIS A 168 -23.408 -8.743 4.843 1.00 35.34 O ATOM 2584 CB HIS A 168 -20.462 -7.007 4.093 1.00 4.35 C ATOM 2585 CG HIS A 168 -19.909 -6.157 2.978 1.00 13.11 C ATOM 2586 ND1 HIS A 168 -20.037 -6.500 1.648 1.00 1.24 N ATOM 2587 CD2 HIS A 168 -19.239 -4.974 2.992 1.00 33.05 C ATOM 2588 CE1 HIS A 168 -19.473 -5.578 0.897 1.00 31.14 C ATOM 2589 NE2 HIS A 168 -18.984 -4.644 1.682 1.00 50.14 N ATOM 0 H HIS A 168 -21.569 -5.094 5.349 1.00 73.31 H new ATOM 0 HA HIS A 168 -22.466 -7.005 3.317 1.00 14.42 H new ATOM 0 HB2 HIS A 168 -19.960 -6.741 5.023 1.00 4.35 H new ATOM 0 HB3 HIS A 168 -20.226 -8.052 3.891 1.00 4.35 H new ATOM 0 HD2 HIS A 168 -18.960 -4.403 3.865 1.00 33.05 H new ATOM 0 HE1 HIS A 168 -19.421 -5.587 -0.182 1.00 31.14 H new ATOM 0 HE2 HIS A 168 -18.493 -3.807 1.369 1.00 50.14 H new ATOM 2598 N HIS A 169 -22.019 -7.989 6.500 1.00 4.34 N ATOM 2599 CA HIS A 169 -22.584 -8.793 7.632 1.00 11.31 C ATOM 2600 C HIS A 169 -22.422 -10.347 7.476 1.00 35.13 C ATOM 2601 O HIS A 169 -22.523 -11.083 8.465 1.00 63.10 O ATOM 2602 CB HIS A 169 -24.082 -8.390 7.859 1.00 22.00 C ATOM 2603 CG HIS A 169 -24.811 -9.140 8.947 1.00 40.12 C ATOM 2604 ND1 HIS A 169 -25.508 -10.305 8.711 1.00 32.01 N ATOM 2605 CD2 HIS A 169 -24.946 -8.896 10.274 1.00 55.30 C ATOM 2606 CE1 HIS A 169 -26.034 -10.742 9.835 1.00 1.34 C ATOM 2607 NE2 HIS A 169 -25.708 -9.909 10.798 1.00 1.44 N ATOM 0 H HIS A 169 -21.184 -7.465 6.759 1.00 4.34 H new ATOM 0 HA HIS A 169 -21.993 -8.549 8.515 1.00 11.31 H new ATOM 0 HB2 HIS A 169 -24.120 -7.326 8.091 1.00 22.00 H new ATOM 0 HB3 HIS A 169 -24.622 -8.532 6.923 1.00 22.00 H new ATOM 0 HD2 HIS A 169 -24.531 -8.060 10.817 1.00 55.30 H new ATOM 0 HE1 HIS A 169 -26.632 -11.634 9.947 1.00 1.34 H new ATOM 0 HE2 HIS A 169 -25.978 -10.001 11.777 1.00 1.44 H new ATOM 2616 N HIS A 170 -22.130 -10.839 6.253 1.00 74.21 N ATOM 2617 CA HIS A 170 -22.186 -12.292 5.936 1.00 51.05 C ATOM 2618 C HIS A 170 -20.956 -13.082 6.477 1.00 54.42 C ATOM 2619 O HIS A 170 -20.935 -14.312 6.418 1.00 12.15 O ATOM 2620 CB HIS A 170 -22.357 -12.482 4.400 1.00 3.34 C ATOM 2621 CG HIS A 170 -22.835 -13.856 3.978 1.00 21.52 C ATOM 2622 ND1 HIS A 170 -22.331 -14.537 2.893 1.00 24.41 N ATOM 2623 CD2 HIS A 170 -23.803 -14.659 4.495 1.00 43.44 C ATOM 2624 CE1 HIS A 170 -22.955 -15.689 2.761 1.00 33.15 C ATOM 2625 NE2 HIS A 170 -23.852 -15.790 3.720 1.00 25.13 N ATOM 0 H HIS A 170 -21.852 -10.255 5.465 1.00 74.21 H new ATOM 0 HA HIS A 170 -23.051 -12.711 6.450 1.00 51.05 H new ATOM 0 HB2 HIS A 170 -23.064 -11.738 4.033 1.00 3.34 H new ATOM 0 HB3 HIS A 170 -21.402 -12.280 3.915 1.00 3.34 H new ATOM 0 HD2 HIS A 170 -24.419 -14.446 5.356 1.00 43.44 H new ATOM 0 HE1 HIS A 170 -22.764 -16.426 1.996 1.00 33.15 H new ATOM 0 HE2 HIS A 170 -24.481 -16.580 3.863 1.00 25.13 H new ATOM 2634 N HIS A 171 -19.939 -12.371 7.004 1.00 25.35 N ATOM 2635 CA HIS A 171 -18.765 -12.997 7.673 1.00 62.14 C ATOM 2636 C HIS A 171 -18.391 -12.246 8.974 1.00 22.15 C ATOM 2637 O HIS A 171 -18.338 -11.011 9.000 1.00 62.21 O ATOM 2638 CB HIS A 171 -17.539 -13.079 6.713 1.00 34.41 C ATOM 2639 CG HIS A 171 -17.531 -14.290 5.803 1.00 54.41 C ATOM 2640 ND1 HIS A 171 -16.996 -14.289 4.532 1.00 23.14 N ATOM 2641 CD2 HIS A 171 -17.955 -15.566 6.016 1.00 34.42 C ATOM 2642 CE1 HIS A 171 -17.091 -15.494 4.008 1.00 15.32 C ATOM 2643 NE2 HIS A 171 -17.667 -16.284 4.886 1.00 5.35 N ATOM 0 H HIS A 171 -19.902 -11.352 6.982 1.00 25.35 H new ATOM 0 HA HIS A 171 -19.051 -14.014 7.941 1.00 62.14 H new ATOM 0 HB2 HIS A 171 -17.514 -12.179 6.099 1.00 34.41 H new ATOM 0 HB3 HIS A 171 -16.627 -13.083 7.309 1.00 34.41 H new ATOM 0 HD2 HIS A 171 -18.430 -15.942 6.910 1.00 34.42 H new ATOM 0 HE1 HIS A 171 -16.753 -15.783 3.024 1.00 15.32 H new ATOM 0 HE2 HIS A 171 -17.868 -17.274 4.748 1.00 5.35 H new ATOM 2652 N HIS A 172 -18.143 -13.021 10.051 1.00 73.43 N ATOM 2653 CA HIS A 172 -17.720 -12.503 11.379 1.00 23.33 C ATOM 2654 C HIS A 172 -16.612 -13.392 11.976 1.00 5.33 C ATOM 2655 O HIS A 172 -16.860 -14.503 12.452 1.00 34.10 O ATOM 2656 CB HIS A 172 -18.930 -12.419 12.352 1.00 70.13 C ATOM 2657 CG HIS A 172 -19.945 -11.363 12.001 1.00 41.33 C ATOM 2658 ND1 HIS A 172 -21.266 -11.640 11.738 1.00 40.22 N ATOM 2659 CD2 HIS A 172 -19.823 -10.018 11.888 1.00 64.25 C ATOM 2660 CE1 HIS A 172 -21.908 -10.524 11.480 1.00 25.25 C ATOM 2661 NE2 HIS A 172 -21.059 -9.524 11.561 1.00 55.23 N ATOM 0 H HIS A 172 -18.231 -14.037 10.027 1.00 73.43 H new ATOM 0 HA HIS A 172 -17.323 -11.497 11.240 1.00 23.33 H new ATOM 0 HB2 HIS A 172 -19.428 -13.389 12.377 1.00 70.13 H new ATOM 0 HB3 HIS A 172 -18.558 -12.226 13.358 1.00 70.13 H new ATOM 0 HD2 HIS A 172 -18.920 -9.443 12.029 1.00 64.25 H new ATOM 0 HE1 HIS A 172 -22.958 -10.442 11.241 1.00 25.25 H new ATOM 0 HE2 HIS A 172 -21.283 -8.541 11.406 1.00 55.23 H new TER 2670 HIS A 172