USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1125 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 33 HIS : no HE2:sc= 0.625 K(o=0.63,f=-2.3!) USER MOD Set 1.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.2 (180deg=1.18) USER MOD Single : A 5 THR OG1 : rot -85:sc= 1.22 USER MOD Single : A 7 TYR OH : rot 80:sc= -0.517 USER MOD Single : A 10 TYR OH : rot 15:sc= 0 USER MOD Single : A 11 THR OG1 : rot -49:sc= 0.476 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.154 K(o=-0.15,f=-3.7!) USER MOD Single : A 19 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.059) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= -0.0432 (180deg=-0.456) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.2) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 0.842 (180deg=0.392) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 54:sc= 0.817 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -160:sc= -0.271 USER MOD Single : A 67 GLN : amide:sc= -1.85 X(o=-1.9,f=-2!) USER MOD Single : A 71 LYS NZ :NH3+ 143:sc= 0.812 (180deg=0.0973) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -1:sc= 0.857 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.127) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.45) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -163:sc= -0.138 (180deg=-0.629) USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 105 GLN : amide:sc= -2.06! K(o=-2.1!,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -166:sc= 1.24 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.19) USER MOD Single : A 119 SER OG : rot 68:sc= 1.31 USER MOD Single : A 121 ASN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 124 ASN : amide:sc= 2.04 K(o=2,f=-5!) USER MOD Single : A 126 TYR OH : rot -137:sc= 1.26 USER MOD Single : A 129 MET CE :methyl -155:sc= -0.182 (180deg=-1.11) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0.433 (180deg=0.433) USER MOD Single : A 132 LYS NZ :NH3+ -110:sc= 0.899 (180deg=-0.724) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= 1.03 K(o=1,f=-5.4!) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 144 HIS : no HD1:sc=-0.00726 X(o=-0.0073,f=-0.011) USER MOD Single : A 145 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=-0.011) USER MOD Single : A 146 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.0071) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.485 18.429 -5.859 1.00 23.20 N ATOM 2 CA MET A 1 -9.685 18.979 -5.191 1.00 5.33 C ATOM 3 C MET A 1 -10.713 17.882 -4.965 1.00 12.21 C ATOM 4 O MET A 1 -11.302 17.785 -3.890 1.00 25.40 O ATOM 5 CB MET A 1 -10.288 20.127 -6.007 1.00 33.10 C ATOM 6 CG MET A 1 -9.436 21.387 -5.988 1.00 21.20 C ATOM 7 SD MET A 1 -10.127 22.727 -6.978 1.00 51.11 S ATOM 8 CE MET A 1 -8.951 24.034 -6.629 1.00 70.12 C ATOM 0 H1 MET A 1 -7.777 19.182 -5.977 1.00 23.20 H new ATOM 0 H2 MET A 1 -8.084 17.665 -5.279 1.00 23.20 H new ATOM 0 H3 MET A 1 -8.749 18.053 -6.792 1.00 23.20 H new ATOM 0 HA MET A 1 -9.385 19.378 -4.222 1.00 5.33 H new ATOM 0 HB2 MET A 1 -10.420 19.801 -7.039 1.00 33.10 H new ATOM 0 HB3 MET A 1 -11.279 20.360 -5.617 1.00 33.10 H new ATOM 0 HG2 MET A 1 -9.323 21.726 -4.958 1.00 21.20 H new ATOM 0 HG3 MET A 1 -8.438 21.149 -6.357 1.00 21.20 H new ATOM 0 HE1 MET A 1 -9.239 24.936 -7.169 1.00 70.12 H new ATOM 0 HE2 MET A 1 -8.942 24.239 -5.559 1.00 70.12 H new ATOM 0 HE3 MET A 1 -7.956 23.723 -6.947 1.00 70.12 H new ATOM 20 N ASP A 2 -10.936 17.054 -5.978 1.00 62.22 N ATOM 21 CA ASP A 2 -11.778 15.881 -5.811 1.00 23.04 C ATOM 22 C ASP A 2 -10.913 14.697 -5.406 1.00 43.33 C ATOM 23 O ASP A 2 -9.874 14.440 -6.014 1.00 1.41 O ATOM 24 CB ASP A 2 -12.552 15.553 -7.086 1.00 24.34 C ATOM 25 CG ASP A 2 -13.495 14.377 -6.898 1.00 62.43 C ATOM 26 OD1 ASP A 2 -13.043 13.222 -7.010 1.00 25.44 O ATOM 27 OD2 ASP A 2 -14.699 14.606 -6.641 1.00 2.23 O ATOM 0 H ASP A 2 -10.549 17.173 -6.914 1.00 62.22 H new ATOM 0 HA ASP A 2 -12.509 16.093 -5.031 1.00 23.04 H new ATOM 0 HB2 ASP A 2 -13.123 16.428 -7.398 1.00 24.34 H new ATOM 0 HB3 ASP A 2 -11.849 15.328 -7.888 1.00 24.34 H new ATOM 32 N ASP A 3 -11.331 14.003 -4.366 1.00 3.12 N ATOM 33 CA ASP A 3 -10.560 12.898 -3.823 1.00 31.55 C ATOM 34 C ASP A 3 -11.326 11.590 -3.960 1.00 74.20 C ATOM 35 O ASP A 3 -10.926 10.562 -3.415 1.00 3.31 O ATOM 36 CB ASP A 3 -10.241 13.163 -2.348 1.00 33.21 C ATOM 37 CG ASP A 3 -11.479 13.179 -1.465 1.00 33.22 C ATOM 38 OD1 ASP A 3 -12.214 14.191 -1.487 1.00 11.41 O ATOM 39 OD2 ASP A 3 -11.719 12.191 -0.740 1.00 30.00 O ATOM 0 H ASP A 3 -12.207 14.185 -3.876 1.00 3.12 H new ATOM 0 HA ASP A 3 -9.630 12.814 -4.385 1.00 31.55 H new ATOM 0 HB2 ASP A 3 -9.554 12.397 -1.987 1.00 33.21 H new ATOM 0 HB3 ASP A 3 -9.726 14.120 -2.260 1.00 33.21 H new ATOM 44 N ARG A 4 -12.414 11.627 -4.710 1.00 33.34 N ATOM 45 CA ARG A 4 -13.323 10.490 -4.780 1.00 13.21 C ATOM 46 C ARG A 4 -13.225 9.792 -6.133 1.00 72.45 C ATOM 47 O ARG A 4 -13.957 8.842 -6.411 1.00 10.12 O ATOM 48 CB ARG A 4 -14.754 10.957 -4.513 1.00 63.14 C ATOM 49 CG ARG A 4 -14.878 11.782 -3.242 1.00 51.03 C ATOM 50 CD ARG A 4 -16.280 12.330 -3.055 1.00 71.33 C ATOM 51 NE ARG A 4 -17.241 11.293 -2.687 1.00 55.45 N ATOM 52 CZ ARG A 4 -18.408 11.115 -3.303 1.00 5.53 C ATOM 53 NH1 ARG A 4 -18.700 11.811 -4.393 1.00 71.34 N ATOM 54 NH2 ARG A 4 -19.266 10.217 -2.845 1.00 42.44 N ATOM 0 H ARG A 4 -12.691 12.428 -5.278 1.00 33.34 H new ATOM 0 HA ARG A 4 -13.038 9.767 -4.016 1.00 13.21 H new ATOM 0 HB2 ARG A 4 -15.102 11.548 -5.360 1.00 63.14 H new ATOM 0 HB3 ARG A 4 -15.407 10.088 -4.441 1.00 63.14 H new ATOM 0 HG2 ARG A 4 -14.612 11.166 -2.383 1.00 51.03 H new ATOM 0 HG3 ARG A 4 -14.167 12.608 -3.275 1.00 51.03 H new ATOM 0 HD2 ARG A 4 -16.266 13.099 -2.282 1.00 71.33 H new ATOM 0 HD3 ARG A 4 -16.605 12.811 -3.978 1.00 71.33 H new ATOM 0 HE ARG A 4 -17.005 10.670 -1.915 1.00 55.45 H new ATOM 0 HH11 ARG A 4 -18.030 12.485 -4.762 1.00 71.34 H new ATOM 0 HH12 ARG A 4 -19.595 11.672 -4.862 1.00 71.34 H new ATOM 0 HH21 ARG A 4 -19.033 9.663 -2.021 1.00 42.44 H new ATOM 0 HH22 ARG A 4 -20.160 10.080 -3.316 1.00 42.44 H new ATOM 68 N THR A 5 -12.313 10.264 -6.967 1.00 22.13 N ATOM 69 CA THR A 5 -12.081 9.659 -8.267 1.00 70.54 C ATOM 70 C THR A 5 -10.767 8.884 -8.272 1.00 70.12 C ATOM 71 O THR A 5 -9.688 9.469 -8.381 1.00 70.40 O ATOM 72 CB THR A 5 -12.080 10.720 -9.383 1.00 22.34 C ATOM 73 OG1 THR A 5 -11.598 11.971 -8.874 1.00 53.41 O ATOM 74 CG2 THR A 5 -13.478 10.904 -9.946 1.00 20.51 C ATOM 0 H THR A 5 -11.719 11.068 -6.765 1.00 22.13 H new ATOM 0 HA THR A 5 -12.898 8.964 -8.461 1.00 70.54 H new ATOM 0 HB THR A 5 -11.421 10.377 -10.181 1.00 22.34 H new ATOM 0 HG1 THR A 5 -12.338 12.464 -8.463 1.00 53.41 H new ATOM 0 HG21 THR A 5 -13.457 11.658 -10.733 1.00 20.51 H new ATOM 0 HG22 THR A 5 -13.832 9.959 -10.358 1.00 20.51 H new ATOM 0 HG23 THR A 5 -14.150 11.228 -9.152 1.00 20.51 H new ATOM 82 N GLU A 6 -10.879 7.559 -8.135 1.00 52.32 N ATOM 83 CA GLU A 6 -9.722 6.676 -7.993 1.00 43.55 C ATOM 84 C GLU A 6 -8.927 7.051 -6.745 1.00 12.54 C ATOM 85 O GLU A 6 -9.445 7.735 -5.861 1.00 13.20 O ATOM 86 CB GLU A 6 -8.836 6.691 -9.247 1.00 3.03 C ATOM 87 CG GLU A 6 -9.545 6.177 -10.494 1.00 22.33 C ATOM 88 CD GLU A 6 -8.583 5.782 -11.599 1.00 50.01 C ATOM 89 OE1 GLU A 6 -7.855 6.659 -12.109 1.00 61.22 O ATOM 90 OE2 GLU A 6 -8.542 4.585 -11.956 1.00 71.41 O ATOM 0 H GLU A 6 -11.774 7.071 -8.120 1.00 52.32 H new ATOM 0 HA GLU A 6 -10.086 5.655 -7.879 1.00 43.55 H new ATOM 0 HB2 GLU A 6 -8.491 7.709 -9.427 1.00 3.03 H new ATOM 0 HB3 GLU A 6 -7.950 6.082 -9.065 1.00 3.03 H new ATOM 0 HG2 GLU A 6 -10.159 5.316 -10.228 1.00 22.33 H new ATOM 0 HG3 GLU A 6 -10.221 6.948 -10.865 1.00 22.33 H new ATOM 97 N TYR A 7 -7.693 6.581 -6.639 1.00 2.52 N ATOM 98 CA TYR A 7 -6.905 6.854 -5.443 1.00 13.44 C ATOM 99 C TYR A 7 -5.644 7.648 -5.753 1.00 3.42 C ATOM 100 O TYR A 7 -5.228 7.776 -6.904 1.00 4.34 O ATOM 101 CB TYR A 7 -6.519 5.555 -4.732 1.00 24.10 C ATOM 102 CG TYR A 7 -7.665 4.852 -4.050 1.00 10.30 C ATOM 103 CD1 TYR A 7 -8.084 5.240 -2.783 1.00 63.33 C ATOM 104 CD2 TYR A 7 -8.318 3.791 -4.662 1.00 34.23 C ATOM 105 CE1 TYR A 7 -9.121 4.590 -2.146 1.00 72.33 C ATOM 106 CE2 TYR A 7 -9.359 3.138 -4.032 1.00 20.32 C ATOM 107 CZ TYR A 7 -9.755 3.540 -2.774 1.00 14.23 C ATOM 108 OH TYR A 7 -10.780 2.887 -2.136 1.00 32.11 O ATOM 0 H TYR A 7 -7.222 6.020 -7.349 1.00 2.52 H new ATOM 0 HA TYR A 7 -7.537 7.455 -4.789 1.00 13.44 H new ATOM 0 HB2 TYR A 7 -6.074 4.876 -5.459 1.00 24.10 H new ATOM 0 HB3 TYR A 7 -5.751 5.776 -3.990 1.00 24.10 H new ATOM 0 HD1 TYR A 7 -7.590 6.064 -2.289 1.00 63.33 H new ATOM 0 HD2 TYR A 7 -8.007 3.471 -5.646 1.00 34.23 H new ATOM 0 HE1 TYR A 7 -9.434 4.902 -1.161 1.00 72.33 H new ATOM 0 HE2 TYR A 7 -9.860 2.317 -4.522 1.00 20.32 H new ATOM 0 HH TYR A 7 -11.605 3.409 -2.223 1.00 32.11 H new ATOM 118 N ASP A 8 -5.075 8.210 -4.706 1.00 42.42 N ATOM 119 CA ASP A 8 -3.751 8.800 -4.752 1.00 73.44 C ATOM 120 C ASP A 8 -2.901 8.187 -3.638 1.00 64.12 C ATOM 121 O ASP A 8 -3.193 8.356 -2.461 1.00 53.10 O ATOM 122 CB ASP A 8 -3.828 10.334 -4.635 1.00 64.44 C ATOM 123 CG ASP A 8 -4.575 10.836 -3.405 1.00 4.23 C ATOM 124 OD1 ASP A 8 -5.601 10.228 -3.016 1.00 73.00 O ATOM 125 OD2 ASP A 8 -4.149 11.867 -2.839 1.00 12.02 O ATOM 0 H ASP A 8 -5.522 8.271 -3.791 1.00 42.42 H new ATOM 0 HA ASP A 8 -3.283 8.584 -5.712 1.00 73.44 H new ATOM 0 HB2 ASP A 8 -2.815 10.736 -4.619 1.00 64.44 H new ATOM 0 HB3 ASP A 8 -4.314 10.730 -5.527 1.00 64.44 H new ATOM 130 N VAL A 9 -1.895 7.411 -4.014 1.00 12.11 N ATOM 131 CA VAL A 9 -1.060 6.713 -3.039 1.00 44.45 C ATOM 132 C VAL A 9 0.418 6.935 -3.348 1.00 74.44 C ATOM 133 O VAL A 9 0.825 6.875 -4.510 1.00 25.45 O ATOM 134 CB VAL A 9 -1.338 5.193 -3.024 1.00 33.45 C ATOM 135 CG1 VAL A 9 -0.617 4.528 -1.858 1.00 73.11 C ATOM 136 CG2 VAL A 9 -2.833 4.905 -2.959 1.00 51.05 C ATOM 0 H VAL A 9 -1.635 7.247 -4.986 1.00 12.11 H new ATOM 0 HA VAL A 9 -1.307 7.123 -2.060 1.00 44.45 H new ATOM 0 HB VAL A 9 -0.955 4.775 -3.955 1.00 33.45 H new ATOM 0 HG11 VAL A 9 -0.825 3.458 -1.864 1.00 73.11 H new ATOM 0 HG12 VAL A 9 0.457 4.690 -1.954 1.00 73.11 H new ATOM 0 HG13 VAL A 9 -0.966 4.960 -0.920 1.00 73.11 H new ATOM 0 HG21 VAL A 9 -2.996 3.827 -2.950 1.00 51.05 H new ATOM 0 HG22 VAL A 9 -3.249 5.343 -2.051 1.00 51.05 H new ATOM 0 HG23 VAL A 9 -3.325 5.339 -3.829 1.00 51.05 H new ATOM 146 N TYR A 10 1.223 7.200 -2.323 1.00 24.10 N ATOM 147 CA TYR A 10 2.655 7.355 -2.525 1.00 35.20 C ATOM 148 C TYR A 10 3.442 6.459 -1.570 1.00 13.32 C ATOM 149 O TYR A 10 3.043 6.246 -0.425 1.00 1.23 O ATOM 150 CB TYR A 10 3.086 8.821 -2.358 1.00 65.33 C ATOM 151 CG TYR A 10 3.092 9.325 -0.928 1.00 75.51 C ATOM 152 CD1 TYR A 10 1.929 9.786 -0.325 1.00 0.10 C ATOM 153 CD2 TYR A 10 4.268 9.351 -0.188 1.00 64.12 C ATOM 154 CE1 TYR A 10 1.939 10.257 0.975 1.00 33.32 C ATOM 155 CE2 TYR A 10 4.285 9.820 1.111 1.00 54.03 C ATOM 156 CZ TYR A 10 3.119 10.271 1.687 1.00 41.32 C ATOM 157 OH TYR A 10 3.135 10.747 2.978 1.00 41.44 O ATOM 0 H TYR A 10 0.911 7.310 -1.358 1.00 24.10 H new ATOM 0 HA TYR A 10 2.877 7.050 -3.548 1.00 35.20 H new ATOM 0 HB2 TYR A 10 4.086 8.940 -2.774 1.00 65.33 H new ATOM 0 HB3 TYR A 10 2.419 9.450 -2.947 1.00 65.33 H new ATOM 0 HD1 TYR A 10 1.003 9.776 -0.880 1.00 0.10 H new ATOM 0 HD2 TYR A 10 5.185 8.998 -0.637 1.00 64.12 H new ATOM 0 HE1 TYR A 10 1.026 10.612 1.430 1.00 33.32 H new ATOM 0 HE2 TYR A 10 5.208 9.833 1.672 1.00 54.03 H new ATOM 0 HH TYR A 10 2.217 10.808 3.316 1.00 41.44 H new ATOM 167 N THR A 11 4.547 5.927 -2.066 1.00 54.32 N ATOM 168 CA THR A 11 5.451 5.114 -1.266 1.00 45.35 C ATOM 169 C THR A 11 6.879 5.322 -1.775 1.00 24.34 C ATOM 170 O THR A 11 7.775 4.512 -1.541 1.00 14.20 O ATOM 171 CB THR A 11 5.057 3.614 -1.327 1.00 70.22 C ATOM 172 OG1 THR A 11 5.848 2.836 -0.418 1.00 41.13 O ATOM 173 CG2 THR A 11 5.212 3.062 -2.738 1.00 30.24 C ATOM 0 H THR A 11 4.843 6.046 -3.035 1.00 54.32 H new ATOM 0 HA THR A 11 5.385 5.422 -0.222 1.00 45.35 H new ATOM 0 HB THR A 11 4.009 3.543 -1.034 1.00 70.22 H new ATOM 0 HG1 THR A 11 6.796 3.054 -0.540 1.00 41.13 H new ATOM 0 HG21 THR A 11 4.929 2.009 -2.750 1.00 30.24 H new ATOM 0 HG22 THR A 11 4.568 3.619 -3.419 1.00 30.24 H new ATOM 0 HG23 THR A 11 6.250 3.162 -3.056 1.00 30.24 H new ATOM 181 N ASP A 12 7.071 6.446 -2.462 1.00 54.43 N ATOM 182 CA ASP A 12 8.349 6.769 -3.097 1.00 14.32 C ATOM 183 C ASP A 12 9.431 6.968 -2.042 1.00 4.21 C ATOM 184 O ASP A 12 9.452 7.981 -1.343 1.00 61.44 O ATOM 185 CB ASP A 12 8.199 8.036 -3.946 1.00 15.24 C ATOM 186 CG ASP A 12 9.359 8.256 -4.898 1.00 54.21 C ATOM 187 OD1 ASP A 12 10.378 8.841 -4.489 1.00 74.50 O ATOM 188 OD2 ASP A 12 9.242 7.864 -6.077 1.00 22.12 O ATOM 0 H ASP A 12 6.350 7.156 -2.594 1.00 54.43 H new ATOM 0 HA ASP A 12 8.643 5.940 -3.741 1.00 14.32 H new ATOM 0 HB2 ASP A 12 7.274 7.975 -4.519 1.00 15.24 H new ATOM 0 HB3 ASP A 12 8.109 8.899 -3.287 1.00 15.24 H new ATOM 193 N GLY A 13 10.309 5.986 -1.911 1.00 75.22 N ATOM 194 CA GLY A 13 11.344 6.047 -0.905 1.00 11.44 C ATOM 195 C GLY A 13 12.618 5.369 -1.358 1.00 64.44 C ATOM 196 O GLY A 13 12.675 4.797 -2.448 1.00 13.33 O ATOM 0 H GLY A 13 10.322 5.144 -2.487 1.00 75.22 H new ATOM 0 HA2 GLY A 13 11.554 7.089 -0.664 1.00 11.44 H new ATOM 0 HA3 GLY A 13 10.988 5.574 0.010 1.00 11.44 H new ATOM 200 N SER A 14 13.643 5.425 -0.524 1.00 21.52 N ATOM 201 CA SER A 14 14.930 4.849 -0.869 1.00 2.32 C ATOM 202 C SER A 14 15.479 4.010 0.282 1.00 72.14 C ATOM 203 O SER A 14 15.500 4.456 1.429 1.00 4.34 O ATOM 204 CB SER A 14 15.919 5.962 -1.219 1.00 4.50 C ATOM 205 OG SER A 14 15.394 6.818 -2.225 1.00 43.03 O ATOM 0 H SER A 14 13.608 5.864 0.396 1.00 21.52 H new ATOM 0 HA SER A 14 14.795 4.198 -1.733 1.00 2.32 H new ATOM 0 HB2 SER A 14 16.147 6.543 -0.326 1.00 4.50 H new ATOM 0 HB3 SER A 14 16.856 5.525 -1.563 1.00 4.50 H new ATOM 0 HG SER A 14 16.045 7.521 -2.429 1.00 43.03 H new ATOM 211 N TYR A 15 15.904 2.792 -0.029 1.00 45.30 N ATOM 212 CA TYR A 15 16.556 1.936 0.951 1.00 1.44 C ATOM 213 C TYR A 15 18.019 2.346 1.083 1.00 55.53 C ATOM 214 O TYR A 15 18.577 2.955 0.167 1.00 52.42 O ATOM 215 CB TYR A 15 16.446 0.460 0.534 1.00 23.43 C ATOM 216 CG TYR A 15 17.059 0.148 -0.817 1.00 44.41 C ATOM 217 CD1 TYR A 15 16.330 0.308 -1.988 1.00 73.14 C ATOM 218 CD2 TYR A 15 18.365 -0.314 -0.917 1.00 64.12 C ATOM 219 CE1 TYR A 15 16.886 0.019 -3.220 1.00 14.44 C ATOM 220 CE2 TYR A 15 18.928 -0.604 -2.145 1.00 10.23 C ATOM 221 CZ TYR A 15 18.184 -0.434 -3.293 1.00 53.51 C ATOM 222 OH TYR A 15 18.737 -0.721 -4.519 1.00 34.42 O ATOM 0 H TYR A 15 15.808 2.375 -0.955 1.00 45.30 H new ATOM 0 HA TYR A 15 16.062 2.052 1.916 1.00 1.44 H new ATOM 0 HB2 TYR A 15 16.930 -0.157 1.291 1.00 23.43 H new ATOM 0 HB3 TYR A 15 15.394 0.176 0.517 1.00 23.43 H new ATOM 0 HD1 TYR A 15 15.312 0.664 -1.935 1.00 73.14 H new ATOM 0 HD2 TYR A 15 18.950 -0.449 -0.020 1.00 64.12 H new ATOM 0 HE1 TYR A 15 16.305 0.148 -4.121 1.00 14.44 H new ATOM 0 HE2 TYR A 15 19.945 -0.962 -2.205 1.00 10.23 H new ATOM 0 HH TYR A 15 19.660 -1.028 -4.398 1.00 34.42 H new ATOM 232 N VAL A 16 18.642 2.013 2.201 1.00 13.30 N ATOM 233 CA VAL A 16 20.023 2.412 2.434 1.00 24.53 C ATOM 234 C VAL A 16 20.917 1.194 2.670 1.00 63.05 C ATOM 235 O VAL A 16 20.712 0.426 3.611 1.00 31.10 O ATOM 236 CB VAL A 16 20.140 3.410 3.614 1.00 54.22 C ATOM 237 CG1 VAL A 16 19.585 2.820 4.901 1.00 40.13 C ATOM 238 CG2 VAL A 16 21.582 3.851 3.807 1.00 22.30 C ATOM 0 H VAL A 16 18.220 1.473 2.956 1.00 13.30 H new ATOM 0 HA VAL A 16 20.367 2.920 1.533 1.00 24.53 H new ATOM 0 HB VAL A 16 19.540 4.285 3.364 1.00 54.22 H new ATOM 0 HG11 VAL A 16 19.684 3.547 5.707 1.00 40.13 H new ATOM 0 HG12 VAL A 16 18.533 2.571 4.763 1.00 40.13 H new ATOM 0 HG13 VAL A 16 20.140 1.918 5.157 1.00 40.13 H new ATOM 0 HG21 VAL A 16 21.640 4.551 4.640 1.00 22.30 H new ATOM 0 HG22 VAL A 16 22.203 2.981 4.020 1.00 22.30 H new ATOM 0 HG23 VAL A 16 21.938 4.338 2.899 1.00 22.30 H new ATOM 248 N ASN A 17 21.882 1.003 1.771 1.00 24.42 N ATOM 249 CA ASN A 17 22.883 -0.064 1.889 1.00 64.31 C ATOM 250 C ASN A 17 22.245 -1.445 2.016 1.00 4.40 C ATOM 251 O ASN A 17 22.817 -2.355 2.618 1.00 62.11 O ATOM 252 CB ASN A 17 23.810 0.193 3.081 1.00 21.43 C ATOM 253 CG ASN A 17 24.745 1.360 2.845 1.00 35.13 C ATOM 254 OD1 ASN A 17 24.459 2.493 3.227 1.00 45.11 O ATOM 255 ND2 ASN A 17 25.863 1.092 2.195 1.00 13.23 N ATOM 0 H ASN A 17 21.994 1.582 0.939 1.00 24.42 H new ATOM 0 HA ASN A 17 23.466 -0.052 0.968 1.00 64.31 H new ATOM 0 HB2 ASN A 17 23.209 0.386 3.970 1.00 21.43 H new ATOM 0 HB3 ASN A 17 24.396 -0.704 3.282 1.00 21.43 H new ATOM 0 HD21 ASN A 17 26.527 1.839 1.993 1.00 13.23 H new ATOM 0 HD22 ASN A 17 26.062 0.138 1.895 1.00 13.23 H new ATOM 262 N GLY A 18 21.071 -1.604 1.430 1.00 24.44 N ATOM 263 CA GLY A 18 20.402 -2.888 1.460 1.00 32.02 C ATOM 264 C GLY A 18 19.404 -2.999 2.595 1.00 34.01 C ATOM 265 O GLY A 18 18.562 -3.897 2.600 1.00 61.13 O ATOM 0 H GLY A 18 20.568 -0.868 0.934 1.00 24.44 H new ATOM 0 HA2 GLY A 18 19.888 -3.048 0.512 1.00 32.02 H new ATOM 0 HA3 GLY A 18 21.146 -3.679 1.557 1.00 32.02 H new ATOM 269 N GLN A 19 19.502 -2.101 3.565 1.00 33.05 N ATOM 270 CA GLN A 19 18.550 -2.067 4.664 1.00 51.42 C ATOM 271 C GLN A 19 17.261 -1.419 4.195 1.00 53.20 C ATOM 272 O GLN A 19 17.274 -0.310 3.655 1.00 71.40 O ATOM 273 CB GLN A 19 19.119 -1.288 5.852 1.00 44.05 C ATOM 274 CG GLN A 19 20.319 -1.953 6.508 1.00 14.00 C ATOM 275 CD GLN A 19 19.958 -3.243 7.222 1.00 41.24 C ATOM 276 OE1 GLN A 19 19.613 -3.237 8.406 1.00 34.42 O ATOM 277 NE2 GLN A 19 20.038 -4.357 6.513 1.00 20.42 N ATOM 0 H GLN A 19 20.230 -1.388 3.613 1.00 33.05 H new ATOM 0 HA GLN A 19 18.352 -3.089 4.987 1.00 51.42 H new ATOM 0 HB2 GLN A 19 19.407 -0.292 5.516 1.00 44.05 H new ATOM 0 HB3 GLN A 19 18.335 -1.159 6.598 1.00 44.05 H new ATOM 0 HG2 GLN A 19 21.073 -2.162 5.749 1.00 14.00 H new ATOM 0 HG3 GLN A 19 20.767 -1.261 7.221 1.00 14.00 H new ATOM 0 HE21 GLN A 19 20.328 -4.320 5.536 1.00 20.42 H new ATOM 0 HE22 GLN A 19 19.810 -5.253 6.944 1.00 20.42 H new ATOM 286 N TYR A 20 16.154 -2.112 4.389 1.00 21.53 N ATOM 287 CA TYR A 20 14.868 -1.603 3.952 1.00 34.25 C ATOM 288 C TYR A 20 13.822 -1.781 5.041 1.00 31.01 C ATOM 289 O TYR A 20 13.870 -2.734 5.819 1.00 10.25 O ATOM 290 CB TYR A 20 14.410 -2.308 2.663 1.00 74.21 C ATOM 291 CG TYR A 20 13.759 -3.663 2.880 1.00 5.24 C ATOM 292 CD1 TYR A 20 14.519 -4.796 3.144 1.00 74.04 C ATOM 293 CD2 TYR A 20 12.376 -3.801 2.819 1.00 34.13 C ATOM 294 CE1 TYR A 20 13.918 -6.029 3.337 1.00 54.22 C ATOM 295 CE2 TYR A 20 11.769 -5.027 3.012 1.00 31.14 C ATOM 296 CZ TYR A 20 12.542 -6.138 3.273 1.00 15.52 C ATOM 297 OH TYR A 20 11.936 -7.362 3.463 1.00 41.53 O ATOM 0 H TYR A 20 16.119 -3.024 4.844 1.00 21.53 H new ATOM 0 HA TYR A 20 14.982 -0.539 3.745 1.00 34.25 H new ATOM 0 HB2 TYR A 20 13.705 -1.661 2.141 1.00 74.21 H new ATOM 0 HB3 TYR A 20 15.272 -2.435 2.008 1.00 74.21 H new ATOM 0 HD1 TYR A 20 15.594 -4.714 3.200 1.00 74.04 H new ATOM 0 HD2 TYR A 20 11.765 -2.933 2.617 1.00 34.13 H new ATOM 0 HE1 TYR A 20 14.522 -6.902 3.537 1.00 54.22 H new ATOM 0 HE2 TYR A 20 10.694 -5.114 2.959 1.00 31.14 H new ATOM 0 HH TYR A 20 10.964 -7.261 3.386 1.00 41.53 H new ATOM 307 N ALA A 21 12.891 -0.850 5.090 1.00 73.44 N ATOM 308 CA ALA A 21 11.743 -0.949 5.965 1.00 30.54 C ATOM 309 C ALA A 21 10.507 -0.580 5.172 1.00 51.15 C ATOM 310 O ALA A 21 10.536 0.373 4.392 1.00 32.30 O ATOM 311 CB ALA A 21 11.900 -0.036 7.173 1.00 71.04 C ATOM 0 H ALA A 21 12.910 -0.002 4.523 1.00 73.44 H new ATOM 0 HA ALA A 21 11.653 -1.969 6.340 1.00 30.54 H new ATOM 0 HB1 ALA A 21 11.024 -0.129 7.815 1.00 71.04 H new ATOM 0 HB2 ALA A 21 12.791 -0.322 7.731 1.00 71.04 H new ATOM 0 HB3 ALA A 21 11.997 0.997 6.838 1.00 71.04 H new ATOM 317 N TRP A 22 9.439 -1.339 5.333 1.00 11.51 N ATOM 318 CA TRP A 22 8.229 -1.072 4.582 1.00 41.51 C ATOM 319 C TRP A 22 7.430 0.017 5.280 1.00 24.42 C ATOM 320 O TRP A 22 7.220 -0.028 6.496 1.00 21.24 O ATOM 321 CB TRP A 22 7.392 -2.348 4.391 1.00 73.01 C ATOM 322 CG TRP A 22 6.904 -2.971 5.667 1.00 40.14 C ATOM 323 CD1 TRP A 22 7.635 -3.702 6.556 1.00 32.11 C ATOM 324 CD2 TRP A 22 5.565 -2.940 6.178 1.00 72.31 C ATOM 325 NE1 TRP A 22 6.842 -4.104 7.601 1.00 40.51 N ATOM 326 CE2 TRP A 22 5.567 -3.652 7.393 1.00 5.23 C ATOM 327 CE3 TRP A 22 4.366 -2.368 5.736 1.00 20.50 C ATOM 328 CZ2 TRP A 22 4.420 -3.811 8.164 1.00 62.24 C ATOM 329 CZ3 TRP A 22 3.227 -2.529 6.504 1.00 52.21 C ATOM 330 CH2 TRP A 22 3.262 -3.244 7.708 1.00 61.45 C ATOM 0 H TRP A 22 9.385 -2.135 5.969 1.00 11.51 H new ATOM 0 HA TRP A 22 8.503 -0.724 3.586 1.00 41.51 H new ATOM 0 HB2 TRP A 22 6.532 -2.112 3.765 1.00 73.01 H new ATOM 0 HB3 TRP A 22 7.989 -3.081 3.849 1.00 73.01 H new ATOM 0 HD1 TRP A 22 8.685 -3.931 6.453 1.00 32.11 H new ATOM 0 HE1 TRP A 22 7.153 -4.652 8.404 1.00 40.51 H new ATOM 0 HE3 TRP A 22 4.331 -1.811 4.812 1.00 20.50 H new ATOM 0 HZ2 TRP A 22 4.443 -4.364 9.092 1.00 62.24 H new ATOM 0 HZ3 TRP A 22 2.296 -2.096 6.170 1.00 52.21 H new ATOM 0 HH2 TRP A 22 2.357 -3.350 8.288 1.00 61.45 H new ATOM 341 N ALA A 23 7.036 1.014 4.513 1.00 71.21 N ATOM 342 CA ALA A 23 6.271 2.123 5.039 1.00 73.02 C ATOM 343 C ALA A 23 5.679 2.933 3.905 1.00 61.13 C ATOM 344 O ALA A 23 6.352 3.225 2.911 1.00 31.22 O ATOM 345 CB ALA A 23 7.148 3.017 5.907 1.00 71.50 C ATOM 0 H ALA A 23 7.236 1.077 3.515 1.00 71.21 H new ATOM 0 HA ALA A 23 5.464 1.722 5.653 1.00 73.02 H new ATOM 0 HB1 ALA A 23 6.554 3.845 6.293 1.00 71.50 H new ATOM 0 HB2 ALA A 23 7.547 2.438 6.740 1.00 71.50 H new ATOM 0 HB3 ALA A 23 7.972 3.409 5.310 1.00 71.50 H new ATOM 351 N TYR A 24 4.421 3.282 4.050 1.00 20.42 N ATOM 352 CA TYR A 24 3.761 4.158 3.112 1.00 72.03 C ATOM 353 C TYR A 24 2.719 4.988 3.839 1.00 34.10 C ATOM 354 O TYR A 24 2.577 4.899 5.061 1.00 4.10 O ATOM 355 CB TYR A 24 3.139 3.368 1.948 1.00 14.31 C ATOM 356 CG TYR A 24 2.311 2.166 2.361 1.00 30.03 C ATOM 357 CD1 TYR A 24 0.951 2.286 2.610 1.00 52.41 C ATOM 358 CD2 TYR A 24 2.892 0.909 2.489 1.00 32.24 C ATOM 359 CE1 TYR A 24 0.193 1.188 2.978 1.00 20.25 C ATOM 360 CE2 TYR A 24 2.140 -0.193 2.853 1.00 54.43 C ATOM 361 CZ TYR A 24 0.793 -0.049 3.098 1.00 54.51 C ATOM 362 OH TYR A 24 0.038 -1.146 3.459 1.00 45.42 O ATOM 0 H TYR A 24 3.829 2.967 4.819 1.00 20.42 H new ATOM 0 HA TYR A 24 4.502 4.829 2.677 1.00 72.03 H new ATOM 0 HB2 TYR A 24 2.510 4.042 1.366 1.00 14.31 H new ATOM 0 HB3 TYR A 24 3.939 3.031 1.289 1.00 14.31 H new ATOM 0 HD1 TYR A 24 0.477 3.252 2.515 1.00 52.41 H new ATOM 0 HD2 TYR A 24 3.949 0.791 2.301 1.00 32.24 H new ATOM 0 HE1 TYR A 24 -0.864 1.299 3.170 1.00 20.25 H new ATOM 0 HE2 TYR A 24 2.607 -1.162 2.945 1.00 54.43 H new ATOM 0 HH TYR A 24 0.612 -1.940 3.497 1.00 45.42 H new ATOM 372 N ALA A 25 2.028 5.832 3.106 1.00 70.53 N ATOM 373 CA ALA A 25 0.995 6.651 3.694 1.00 72.31 C ATOM 374 C ALA A 25 -0.172 6.781 2.740 1.00 70.13 C ATOM 375 O ALA A 25 0.015 7.004 1.542 1.00 43.12 O ATOM 376 CB ALA A 25 1.542 8.021 4.061 1.00 24.42 C ATOM 0 H ALA A 25 2.163 5.968 2.104 1.00 70.53 H new ATOM 0 HA ALA A 25 0.646 6.170 4.608 1.00 72.31 H new ATOM 0 HB1 ALA A 25 0.748 8.623 4.503 1.00 24.42 H new ATOM 0 HB2 ALA A 25 2.354 7.908 4.779 1.00 24.42 H new ATOM 0 HB3 ALA A 25 1.916 8.515 3.165 1.00 24.42 H new ATOM 382 N PHE A 26 -1.370 6.633 3.271 1.00 12.43 N ATOM 383 CA PHE A 26 -2.562 6.806 2.479 1.00 14.43 C ATOM 384 C PHE A 26 -2.908 8.278 2.429 1.00 35.33 C ATOM 385 O PHE A 26 -3.509 8.831 3.357 1.00 1.25 O ATOM 386 CB PHE A 26 -3.735 6.009 3.053 1.00 64.53 C ATOM 387 CG PHE A 26 -3.547 4.517 3.002 1.00 40.23 C ATOM 388 CD1 PHE A 26 -3.729 3.828 1.815 1.00 2.14 C ATOM 389 CD2 PHE A 26 -3.198 3.804 4.140 1.00 72.30 C ATOM 390 CE1 PHE A 26 -3.566 2.456 1.761 1.00 50.10 C ATOM 391 CE2 PHE A 26 -3.036 2.432 4.092 1.00 35.14 C ATOM 392 CZ PHE A 26 -3.221 1.758 2.900 1.00 33.11 C ATOM 0 H PHE A 26 -1.539 6.393 4.248 1.00 12.43 H new ATOM 0 HA PHE A 26 -2.372 6.431 1.473 1.00 14.43 H new ATOM 0 HB2 PHE A 26 -3.892 6.309 4.089 1.00 64.53 H new ATOM 0 HB3 PHE A 26 -4.640 6.269 2.505 1.00 64.53 H new ATOM 0 HD1 PHE A 26 -4.002 4.369 0.921 1.00 2.14 H new ATOM 0 HD2 PHE A 26 -3.051 4.327 5.074 1.00 72.30 H new ATOM 0 HE1 PHE A 26 -3.709 1.931 0.828 1.00 50.10 H new ATOM 0 HE2 PHE A 26 -2.765 1.888 4.985 1.00 35.14 H new ATOM 0 HZ PHE A 26 -3.096 0.686 2.860 1.00 33.11 H new ATOM 402 N VAL A 27 -2.490 8.906 1.351 1.00 71.23 N ATOM 403 CA VAL A 27 -2.765 10.303 1.120 1.00 71.42 C ATOM 404 C VAL A 27 -4.075 10.421 0.356 1.00 42.45 C ATOM 405 O VAL A 27 -4.437 9.523 -0.394 1.00 64.22 O ATOM 406 CB VAL A 27 -1.603 10.980 0.346 1.00 61.23 C ATOM 407 CG1 VAL A 27 -1.440 10.389 -1.043 1.00 73.14 C ATOM 408 CG2 VAL A 27 -1.796 12.482 0.264 1.00 11.14 C ATOM 0 H VAL A 27 -1.949 8.459 0.610 1.00 71.23 H new ATOM 0 HA VAL A 27 -2.854 10.820 2.076 1.00 71.42 H new ATOM 0 HB VAL A 27 -0.688 10.784 0.905 1.00 61.23 H new ATOM 0 HG11 VAL A 27 -0.617 10.887 -1.556 1.00 73.14 H new ATOM 0 HG12 VAL A 27 -1.225 9.323 -0.962 1.00 73.14 H new ATOM 0 HG13 VAL A 27 -2.360 10.532 -1.609 1.00 73.14 H new ATOM 0 HG21 VAL A 27 -0.965 12.926 -0.284 1.00 11.14 H new ATOM 0 HG22 VAL A 27 -2.730 12.701 -0.253 1.00 11.14 H new ATOM 0 HG23 VAL A 27 -1.831 12.900 1.270 1.00 11.14 H new ATOM 418 N LYS A 28 -4.826 11.470 0.614 1.00 40.20 N ATOM 419 CA LYS A 28 -6.082 11.681 -0.070 1.00 53.24 C ATOM 420 C LYS A 28 -6.240 13.153 -0.416 1.00 40.52 C ATOM 421 O LYS A 28 -6.442 13.991 0.464 1.00 31.23 O ATOM 422 CB LYS A 28 -7.241 11.177 0.795 1.00 14.14 C ATOM 423 CG LYS A 28 -8.594 11.211 0.104 1.00 14.13 C ATOM 424 CD LYS A 28 -8.588 10.497 -1.248 1.00 2.43 C ATOM 425 CE LYS A 28 -8.271 9.011 -1.139 1.00 10.42 C ATOM 426 NZ LYS A 28 -6.811 8.748 -1.214 1.00 35.14 N ATOM 0 H LYS A 28 -4.587 12.191 1.294 1.00 40.20 H new ATOM 0 HA LYS A 28 -6.091 11.114 -1.001 1.00 53.24 H new ATOM 0 HB2 LYS A 28 -7.030 10.154 1.106 1.00 14.14 H new ATOM 0 HB3 LYS A 28 -7.293 11.781 1.701 1.00 14.14 H new ATOM 0 HG2 LYS A 28 -9.339 10.748 0.751 1.00 14.13 H new ATOM 0 HG3 LYS A 28 -8.897 12.248 -0.039 1.00 14.13 H new ATOM 0 HD2 LYS A 28 -9.562 10.621 -1.721 1.00 2.43 H new ATOM 0 HD3 LYS A 28 -7.854 10.972 -1.899 1.00 2.43 H new ATOM 0 HE2 LYS A 28 -8.661 8.625 -0.197 1.00 10.42 H new ATOM 0 HE3 LYS A 28 -8.778 8.472 -1.939 1.00 10.42 H new ATOM 0 HZ1 LYS A 28 -6.645 7.722 -1.256 1.00 35.14 H new ATOM 0 HZ2 LYS A 28 -6.421 9.197 -2.067 1.00 35.14 H new ATOM 0 HZ3 LYS A 28 -6.344 9.141 -0.372 1.00 35.14 H new ATOM 440 N ASP A 29 -6.080 13.451 -1.702 1.00 24.52 N ATOM 441 CA ASP A 29 -6.176 14.815 -2.228 1.00 71.23 C ATOM 442 C ASP A 29 -5.019 15.666 -1.703 1.00 24.55 C ATOM 443 O ASP A 29 -5.080 16.896 -1.674 1.00 12.43 O ATOM 444 CB ASP A 29 -7.531 15.449 -1.883 1.00 61.21 C ATOM 445 CG ASP A 29 -7.758 16.768 -2.595 1.00 40.22 C ATOM 446 OD1 ASP A 29 -7.883 16.764 -3.838 1.00 22.43 O ATOM 447 OD2 ASP A 29 -7.800 17.818 -1.918 1.00 71.12 O ATOM 0 H ASP A 29 -5.879 12.751 -2.416 1.00 24.52 H new ATOM 0 HA ASP A 29 -6.105 14.770 -3.315 1.00 71.23 H new ATOM 0 HB2 ASP A 29 -8.330 14.756 -2.147 1.00 61.21 H new ATOM 0 HB3 ASP A 29 -7.590 15.607 -0.806 1.00 61.21 H new ATOM 452 N GLY A 30 -3.943 14.998 -1.314 1.00 31.12 N ATOM 453 CA GLY A 30 -2.781 15.698 -0.804 1.00 22.03 C ATOM 454 C GLY A 30 -2.740 15.739 0.713 1.00 61.44 C ATOM 455 O GLY A 30 -1.768 16.218 1.297 1.00 75.43 O ATOM 0 H GLY A 30 -3.853 13.982 -1.342 1.00 31.12 H new ATOM 0 HA2 GLY A 30 -1.878 15.213 -1.175 1.00 22.03 H new ATOM 0 HA3 GLY A 30 -2.777 16.717 -1.191 1.00 22.03 H new ATOM 459 N LYS A 31 -3.792 15.242 1.352 1.00 50.31 N ATOM 460 CA LYS A 31 -3.847 15.185 2.811 1.00 11.15 C ATOM 461 C LYS A 31 -3.541 13.774 3.279 1.00 31.12 C ATOM 462 O LYS A 31 -3.990 12.804 2.681 1.00 32.54 O ATOM 463 CB LYS A 31 -5.223 15.601 3.349 1.00 74.11 C ATOM 464 CG LYS A 31 -5.596 17.067 3.135 1.00 62.11 C ATOM 465 CD LYS A 31 -5.718 17.413 1.662 1.00 3.32 C ATOM 466 CE LYS A 31 -6.467 18.718 1.450 1.00 64.13 C ATOM 467 NZ LYS A 31 -6.481 19.133 0.023 1.00 2.22 N ATOM 0 H LYS A 31 -4.620 14.872 0.884 1.00 50.31 H new ATOM 0 HA LYS A 31 -3.105 15.885 3.195 1.00 11.15 H new ATOM 0 HB2 LYS A 31 -5.982 14.978 2.876 1.00 74.11 H new ATOM 0 HB3 LYS A 31 -5.256 15.388 4.417 1.00 74.11 H new ATOM 0 HG2 LYS A 31 -6.541 17.278 3.636 1.00 62.11 H new ATOM 0 HG3 LYS A 31 -4.841 17.704 3.596 1.00 62.11 H new ATOM 0 HD2 LYS A 31 -4.723 17.489 1.223 1.00 3.32 H new ATOM 0 HD3 LYS A 31 -6.236 16.608 1.141 1.00 3.32 H new ATOM 0 HE2 LYS A 31 -7.492 18.608 1.805 1.00 64.13 H new ATOM 0 HE3 LYS A 31 -6.004 19.502 2.050 1.00 64.13 H new ATOM 0 HZ1 LYS A 31 -6.687 20.150 -0.041 1.00 2.22 H new ATOM 0 HZ2 LYS A 31 -5.552 18.940 -0.404 1.00 2.22 H new ATOM 0 HZ3 LYS A 31 -7.214 18.599 -0.487 1.00 2.22 H new ATOM 481 N VAL A 32 -2.790 13.661 4.350 1.00 2.44 N ATOM 482 CA VAL A 32 -2.405 12.357 4.876 1.00 34.11 C ATOM 483 C VAL A 32 -3.311 11.968 6.037 1.00 52.42 C ATOM 484 O VAL A 32 -3.263 12.581 7.104 1.00 43.44 O ATOM 485 CB VAL A 32 -0.932 12.340 5.342 1.00 34.21 C ATOM 486 CG1 VAL A 32 -0.537 10.953 5.831 1.00 43.50 C ATOM 487 CG2 VAL A 32 -0.008 12.797 4.222 1.00 71.50 C ATOM 0 H VAL A 32 -2.429 14.454 4.880 1.00 2.44 H new ATOM 0 HA VAL A 32 -2.514 11.634 4.067 1.00 34.11 H new ATOM 0 HB VAL A 32 -0.831 13.037 6.174 1.00 34.21 H new ATOM 0 HG11 VAL A 32 0.504 10.964 6.154 1.00 43.50 H new ATOM 0 HG12 VAL A 32 -1.174 10.667 6.668 1.00 43.50 H new ATOM 0 HG13 VAL A 32 -0.658 10.234 5.021 1.00 43.50 H new ATOM 0 HG21 VAL A 32 1.024 12.778 4.571 1.00 71.50 H new ATOM 0 HG22 VAL A 32 -0.114 12.129 3.367 1.00 71.50 H new ATOM 0 HG23 VAL A 32 -0.271 13.812 3.924 1.00 71.50 H new ATOM 497 N HIS A 33 -4.150 10.962 5.829 1.00 53.34 N ATOM 498 CA HIS A 33 -5.093 10.552 6.863 1.00 40.34 C ATOM 499 C HIS A 33 -4.653 9.242 7.511 1.00 50.33 C ATOM 500 O HIS A 33 -5.022 8.949 8.649 1.00 21.04 O ATOM 501 CB HIS A 33 -6.505 10.405 6.281 1.00 32.23 C ATOM 502 CG HIS A 33 -7.592 10.558 7.305 1.00 64.20 C ATOM 503 ND1 HIS A 33 -8.631 9.663 7.460 1.00 71.45 N ATOM 504 CD2 HIS A 33 -7.808 11.535 8.215 1.00 14.24 C ATOM 505 CE1 HIS A 33 -9.432 10.087 8.420 1.00 13.54 C ATOM 506 NE2 HIS A 33 -8.957 11.222 8.894 1.00 1.24 N ATOM 0 H HIS A 33 -4.198 10.420 4.966 1.00 53.34 H new ATOM 0 HA HIS A 33 -5.110 11.328 7.628 1.00 40.34 H new ATOM 0 HB2 HIS A 33 -6.646 11.150 5.498 1.00 32.23 H new ATOM 0 HB3 HIS A 33 -6.595 9.426 5.810 1.00 32.23 H new ATOM 0 HD1 HIS A 33 -8.760 8.808 6.918 1.00 71.45 H new ATOM 0 HD2 HIS A 33 -7.188 12.404 8.377 1.00 14.24 H new ATOM 0 HE1 HIS A 33 -10.327 9.587 8.760 1.00 13.54 H new ATOM 515 N TYR A 34 -3.865 8.456 6.782 1.00 4.10 N ATOM 516 CA TYR A 34 -3.383 7.167 7.282 1.00 33.20 C ATOM 517 C TYR A 34 -1.913 6.988 6.920 1.00 25.11 C ATOM 518 O TYR A 34 -1.469 7.483 5.886 1.00 41.52 O ATOM 519 CB TYR A 34 -4.195 6.011 6.681 1.00 63.22 C ATOM 520 CG TYR A 34 -5.697 6.176 6.787 1.00 21.43 C ATOM 521 CD1 TYR A 34 -6.355 5.992 7.995 1.00 22.40 C ATOM 522 CD2 TYR A 34 -6.454 6.526 5.677 1.00 61.23 C ATOM 523 CE1 TYR A 34 -7.724 6.149 8.093 1.00 30.44 C ATOM 524 CE2 TYR A 34 -7.822 6.689 5.766 1.00 63.35 C ATOM 525 CZ TYR A 34 -8.451 6.499 6.976 1.00 54.42 C ATOM 526 OH TYR A 34 -9.811 6.675 7.072 1.00 70.30 O ATOM 0 H TYR A 34 -3.545 8.688 5.842 1.00 4.10 H new ATOM 0 HA TYR A 34 -3.502 7.156 8.365 1.00 33.20 H new ATOM 0 HB2 TYR A 34 -3.927 5.904 5.630 1.00 63.22 H new ATOM 0 HB3 TYR A 34 -3.908 5.085 7.179 1.00 63.22 H new ATOM 0 HD1 TYR A 34 -5.787 5.722 8.873 1.00 22.40 H new ATOM 0 HD2 TYR A 34 -5.964 6.673 4.726 1.00 61.23 H new ATOM 0 HE1 TYR A 34 -8.222 5.998 9.040 1.00 30.44 H new ATOM 0 HE2 TYR A 34 -8.395 6.964 4.893 1.00 63.35 H new ATOM 0 HH TYR A 34 -10.172 6.921 6.195 1.00 70.30 H new ATOM 536 N GLU A 35 -1.165 6.283 7.760 1.00 0.02 N ATOM 537 CA GLU A 35 0.245 6.020 7.491 1.00 2.50 C ATOM 538 C GLU A 35 0.741 4.827 8.302 1.00 65.43 C ATOM 539 O GLU A 35 0.188 4.511 9.354 1.00 42.22 O ATOM 540 CB GLU A 35 1.104 7.249 7.806 1.00 71.15 C ATOM 541 CG GLU A 35 0.920 7.786 9.219 1.00 73.51 C ATOM 542 CD GLU A 35 2.223 8.258 9.828 1.00 10.43 C ATOM 543 OE1 GLU A 35 2.841 9.194 9.284 1.00 40.45 O ATOM 544 OE2 GLU A 35 2.663 7.657 10.833 1.00 33.14 O ATOM 0 H GLU A 35 -1.510 5.883 8.633 1.00 0.02 H new ATOM 0 HA GLU A 35 0.338 5.789 6.430 1.00 2.50 H new ATOM 0 HB2 GLU A 35 2.153 6.994 7.659 1.00 71.15 H new ATOM 0 HB3 GLU A 35 0.865 8.039 7.094 1.00 71.15 H new ATOM 0 HG2 GLU A 35 0.209 8.612 9.202 1.00 73.51 H new ATOM 0 HG3 GLU A 35 0.488 7.007 9.848 1.00 73.51 H new ATOM 551 N ASP A 36 1.781 4.176 7.804 1.00 41.02 N ATOM 552 CA ASP A 36 2.382 3.031 8.482 1.00 54.12 C ATOM 553 C ASP A 36 3.902 3.160 8.469 1.00 45.01 C ATOM 554 O ASP A 36 4.439 4.107 7.879 1.00 12.33 O ATOM 555 CB ASP A 36 1.981 1.719 7.805 1.00 64.53 C ATOM 556 CG ASP A 36 2.669 1.536 6.469 1.00 44.31 C ATOM 557 OD1 ASP A 36 2.207 2.130 5.480 1.00 31.30 O ATOM 558 OD2 ASP A 36 3.684 0.818 6.417 1.00 73.24 O ATOM 0 H ASP A 36 2.232 4.422 6.923 1.00 41.02 H new ATOM 0 HA ASP A 36 2.020 3.018 9.510 1.00 54.12 H new ATOM 0 HB2 ASP A 36 2.230 0.883 8.459 1.00 64.53 H new ATOM 0 HB3 ASP A 36 0.901 1.701 7.662 1.00 64.53 H new ATOM 563 N ALA A 37 4.574 2.240 9.164 1.00 61.51 N ATOM 564 CA ALA A 37 6.035 2.156 9.163 1.00 1.31 C ATOM 565 C ALA A 37 6.507 1.013 10.047 1.00 62.43 C ATOM 566 O ALA A 37 6.235 1.006 11.250 1.00 2.13 O ATOM 567 CB ALA A 37 6.665 3.450 9.649 1.00 70.44 C ATOM 0 H ALA A 37 4.121 1.533 9.743 1.00 61.51 H new ATOM 0 HA ALA A 37 6.347 1.977 8.134 1.00 1.31 H new ATOM 0 HB1 ALA A 37 7.751 3.354 9.636 1.00 70.44 H new ATOM 0 HB2 ALA A 37 6.365 4.269 8.995 1.00 70.44 H new ATOM 0 HB3 ALA A 37 6.332 3.658 10.666 1.00 70.44 H new ATOM 573 N ASP A 38 7.206 0.052 9.462 1.00 60.34 N ATOM 574 CA ASP A 38 7.779 -1.041 10.236 1.00 75.44 C ATOM 575 C ASP A 38 8.878 -1.741 9.445 1.00 42.04 C ATOM 576 O ASP A 38 9.041 -1.503 8.251 1.00 34.04 O ATOM 577 CB ASP A 38 6.690 -2.042 10.636 1.00 23.13 C ATOM 578 CG ASP A 38 7.169 -3.021 11.687 1.00 23.43 C ATOM 579 OD1 ASP A 38 7.752 -2.570 12.698 1.00 31.23 O ATOM 580 OD2 ASP A 38 6.962 -4.239 11.521 1.00 53.44 O ATOM 0 H ASP A 38 7.390 0.006 8.460 1.00 60.34 H new ATOM 0 HA ASP A 38 8.219 -0.625 11.142 1.00 75.44 H new ATOM 0 HB2 ASP A 38 5.823 -1.501 11.015 1.00 23.13 H new ATOM 0 HB3 ASP A 38 6.362 -2.591 9.753 1.00 23.13 H new ATOM 585 N VAL A 39 9.644 -2.584 10.118 1.00 54.40 N ATOM 586 CA VAL A 39 10.696 -3.343 9.472 1.00 0.10 C ATOM 587 C VAL A 39 10.176 -4.707 9.031 1.00 73.43 C ATOM 588 O VAL A 39 8.998 -5.020 9.212 1.00 73.34 O ATOM 589 CB VAL A 39 11.908 -3.528 10.409 1.00 53.30 C ATOM 590 CG1 VAL A 39 12.602 -2.198 10.657 1.00 22.42 C ATOM 591 CG2 VAL A 39 11.483 -4.162 11.727 1.00 14.44 C ATOM 0 H VAL A 39 9.554 -2.759 11.119 1.00 54.40 H new ATOM 0 HA VAL A 39 11.019 -2.780 8.596 1.00 0.10 H new ATOM 0 HB VAL A 39 12.614 -4.199 9.920 1.00 53.30 H new ATOM 0 HG11 VAL A 39 13.454 -2.350 11.320 1.00 22.42 H new ATOM 0 HG12 VAL A 39 12.949 -1.786 9.709 1.00 22.42 H new ATOM 0 HG13 VAL A 39 11.902 -1.503 11.120 1.00 22.42 H new ATOM 0 HG21 VAL A 39 12.354 -4.282 12.371 1.00 14.44 H new ATOM 0 HG22 VAL A 39 10.753 -3.520 12.221 1.00 14.44 H new ATOM 0 HG23 VAL A 39 11.037 -5.138 11.534 1.00 14.44 H new ATOM 601 N GLY A 40 11.053 -5.515 8.450 1.00 22.32 N ATOM 602 CA GLY A 40 10.657 -6.834 7.995 1.00 11.14 C ATOM 603 C GLY A 40 10.418 -7.791 9.143 1.00 63.31 C ATOM 604 O GLY A 40 11.314 -8.538 9.533 1.00 65.24 O ATOM 0 H GLY A 40 12.032 -5.281 8.285 1.00 22.32 H new ATOM 0 HA2 GLY A 40 9.749 -6.752 7.398 1.00 11.14 H new ATOM 0 HA3 GLY A 40 11.431 -7.238 7.343 1.00 11.14 H new ATOM 608 N LYS A 41 9.215 -7.756 9.699 1.00 73.20 N ATOM 609 CA LYS A 41 8.850 -8.643 10.783 1.00 64.32 C ATOM 610 C LYS A 41 7.904 -9.722 10.277 1.00 12.51 C ATOM 611 O LYS A 41 7.717 -9.880 9.070 1.00 45.44 O ATOM 612 CB LYS A 41 8.204 -7.859 11.927 1.00 64.25 C ATOM 613 CG LYS A 41 9.100 -6.769 12.494 1.00 4.32 C ATOM 614 CD LYS A 41 8.964 -6.659 14.003 1.00 0.21 C ATOM 615 CE LYS A 41 7.534 -6.375 14.429 1.00 45.11 C ATOM 616 NZ LYS A 41 7.085 -5.014 14.039 1.00 62.21 N ATOM 0 H LYS A 41 8.474 -7.117 9.411 1.00 73.20 H new ATOM 0 HA LYS A 41 9.754 -9.118 11.164 1.00 64.32 H new ATOM 0 HB2 LYS A 41 7.277 -7.409 11.571 1.00 64.25 H new ATOM 0 HB3 LYS A 41 7.936 -8.551 12.726 1.00 64.25 H new ATOM 0 HG2 LYS A 41 10.138 -6.980 12.237 1.00 4.32 H new ATOM 0 HG3 LYS A 41 8.846 -5.814 12.035 1.00 4.32 H new ATOM 0 HD2 LYS A 41 9.302 -7.586 14.465 1.00 0.21 H new ATOM 0 HD3 LYS A 41 9.615 -5.865 14.368 1.00 0.21 H new ATOM 0 HE2 LYS A 41 6.871 -7.115 13.981 1.00 45.11 H new ATOM 0 HE3 LYS A 41 7.451 -6.486 15.510 1.00 45.11 H new ATOM 0 HZ1 LYS A 41 6.268 -4.738 14.620 1.00 62.21 H new ATOM 0 HZ2 LYS A 41 7.860 -4.337 14.188 1.00 62.21 H new ATOM 0 HZ3 LYS A 41 6.812 -5.013 13.035 1.00 62.21 H new ATOM 630 N ASN A 42 7.309 -10.454 11.197 1.00 71.05 N ATOM 631 CA ASN A 42 6.456 -11.583 10.845 1.00 41.13 C ATOM 632 C ASN A 42 4.989 -11.162 10.803 1.00 64.52 C ATOM 633 O ASN A 42 4.601 -10.194 11.458 1.00 34.05 O ATOM 634 CB ASN A 42 6.652 -12.724 11.849 1.00 50.13 C ATOM 635 CG ASN A 42 8.082 -13.229 11.891 1.00 41.03 C ATOM 636 OD1 ASN A 42 8.916 -12.717 12.641 1.00 31.31 O ATOM 637 ND2 ASN A 42 8.378 -14.241 11.095 1.00 51.53 N ATOM 0 H ASN A 42 7.398 -10.290 12.200 1.00 71.05 H new ATOM 0 HA ASN A 42 6.739 -11.932 9.852 1.00 41.13 H new ATOM 0 HB2 ASN A 42 6.363 -12.382 12.843 1.00 50.13 H new ATOM 0 HB3 ASN A 42 5.988 -13.548 11.590 1.00 50.13 H new ATOM 0 HD21 ASN A 42 9.323 -14.624 11.088 1.00 51.53 H new ATOM 0 HD22 ASN A 42 7.661 -14.639 10.488 1.00 51.53 H new ATOM 644 N PRO A 43 4.155 -11.886 10.023 1.00 51.41 N ATOM 645 CA PRO A 43 2.717 -11.593 9.878 1.00 54.14 C ATOM 646 C PRO A 43 1.991 -11.477 11.218 1.00 33.31 C ATOM 647 O PRO A 43 0.999 -10.753 11.338 1.00 10.42 O ATOM 648 CB PRO A 43 2.188 -12.789 9.086 1.00 42.40 C ATOM 649 CG PRO A 43 3.363 -13.272 8.314 1.00 62.41 C ATOM 650 CD PRO A 43 4.557 -13.040 9.195 1.00 13.24 C ATOM 0 HA PRO A 43 2.553 -10.631 9.392 1.00 54.14 H new ATOM 0 HB2 PRO A 43 1.802 -13.564 9.748 1.00 42.40 H new ATOM 0 HB3 PRO A 43 1.371 -12.498 8.425 1.00 42.40 H new ATOM 0 HG2 PRO A 43 3.260 -14.328 8.066 1.00 62.41 H new ATOM 0 HG3 PRO A 43 3.461 -12.731 7.373 1.00 62.41 H new ATOM 0 HD2 PRO A 43 4.781 -13.914 9.806 1.00 13.24 H new ATOM 0 HD3 PRO A 43 5.451 -12.823 8.610 1.00 13.24 H new ATOM 658 N ALA A 44 2.499 -12.184 12.222 1.00 11.14 N ATOM 659 CA ALA A 44 1.947 -12.116 13.570 1.00 5.34 C ATOM 660 C ALA A 44 1.965 -10.681 14.090 1.00 45.23 C ATOM 661 O ALA A 44 1.002 -10.215 14.695 1.00 31.11 O ATOM 662 CB ALA A 44 2.724 -13.031 14.505 1.00 1.53 C ATOM 0 H ALA A 44 3.296 -12.813 12.127 1.00 11.14 H new ATOM 0 HA ALA A 44 0.911 -12.452 13.535 1.00 5.34 H new ATOM 0 HB1 ALA A 44 2.301 -12.970 15.508 1.00 1.53 H new ATOM 0 HB2 ALA A 44 2.660 -14.058 14.146 1.00 1.53 H new ATOM 0 HB3 ALA A 44 3.769 -12.721 14.532 1.00 1.53 H new ATOM 668 N ALA A 45 3.061 -9.984 13.824 1.00 11.42 N ATOM 669 CA ALA A 45 3.207 -8.595 14.229 1.00 51.00 C ATOM 670 C ALA A 45 2.663 -7.661 13.154 1.00 72.14 C ATOM 671 O ALA A 45 2.204 -6.556 13.445 1.00 54.33 O ATOM 672 CB ALA A 45 4.666 -8.286 14.503 1.00 44.01 C ATOM 0 H ALA A 45 3.867 -10.362 13.326 1.00 11.42 H new ATOM 0 HA ALA A 45 2.633 -8.437 15.142 1.00 51.00 H new ATOM 0 HB1 ALA A 45 4.767 -7.244 14.806 1.00 44.01 H new ATOM 0 HB2 ALA A 45 5.031 -8.932 15.301 1.00 44.01 H new ATOM 0 HB3 ALA A 45 5.251 -8.459 13.599 1.00 44.01 H new ATOM 678 N ALA A 46 2.717 -8.121 11.907 1.00 21.52 N ATOM 679 CA ALA A 46 2.208 -7.361 10.770 1.00 32.31 C ATOM 680 C ALA A 46 0.694 -7.188 10.853 1.00 70.45 C ATOM 681 O ALA A 46 0.110 -6.371 10.139 1.00 54.34 O ATOM 682 CB ALA A 46 2.596 -8.034 9.463 1.00 15.13 C ATOM 0 H ALA A 46 3.113 -9.027 11.657 1.00 21.52 H new ATOM 0 HA ALA A 46 2.660 -6.370 10.800 1.00 32.31 H new ATOM 0 HB1 ALA A 46 2.208 -7.454 8.626 1.00 15.13 H new ATOM 0 HB2 ALA A 46 3.682 -8.092 9.392 1.00 15.13 H new ATOM 0 HB3 ALA A 46 2.176 -9.039 9.433 1.00 15.13 H new ATOM 688 N THR A 47 0.060 -7.984 11.708 1.00 35.33 N ATOM 689 CA THR A 47 -1.366 -7.856 11.954 1.00 74.20 C ATOM 690 C THR A 47 -1.686 -6.466 12.510 1.00 43.41 C ATOM 691 O THR A 47 -2.692 -5.860 12.135 1.00 23.13 O ATOM 692 CB THR A 47 -1.863 -8.944 12.928 1.00 64.42 C ATOM 693 OG1 THR A 47 -1.589 -10.247 12.387 1.00 53.44 O ATOM 694 CG2 THR A 47 -3.355 -8.806 13.189 1.00 53.21 C ATOM 0 H THR A 47 0.515 -8.725 12.241 1.00 35.33 H new ATOM 0 HA THR A 47 -1.884 -7.988 11.004 1.00 74.20 H new ATOM 0 HB THR A 47 -1.334 -8.819 13.873 1.00 64.42 H new ATOM 0 HG1 THR A 47 -0.637 -10.315 12.165 1.00 53.44 H new ATOM 0 HG21 THR A 47 -3.677 -9.586 13.879 1.00 53.21 H new ATOM 0 HG22 THR A 47 -3.559 -7.828 13.626 1.00 53.21 H new ATOM 0 HG23 THR A 47 -3.899 -8.905 12.250 1.00 53.21 H new ATOM 702 N MET A 48 -0.802 -5.971 13.387 1.00 30.11 N ATOM 703 CA MET A 48 -0.898 -4.622 13.943 1.00 14.40 C ATOM 704 C MET A 48 -2.053 -4.501 14.929 1.00 51.34 C ATOM 705 O MET A 48 -3.216 -4.670 14.579 1.00 53.33 O ATOM 706 CB MET A 48 -1.018 -3.567 12.835 1.00 13.11 C ATOM 707 CG MET A 48 0.222 -3.457 11.962 1.00 54.25 C ATOM 708 SD MET A 48 1.689 -2.982 12.899 1.00 65.35 S ATOM 709 CE MET A 48 2.932 -3.005 11.608 1.00 12.50 C ATOM 0 H MET A 48 0.001 -6.499 13.729 1.00 30.11 H new ATOM 0 HA MET A 48 0.027 -4.435 14.489 1.00 14.40 H new ATOM 0 HB2 MET A 48 -1.875 -3.809 12.206 1.00 13.11 H new ATOM 0 HB3 MET A 48 -1.220 -2.597 13.289 1.00 13.11 H new ATOM 0 HG2 MET A 48 0.403 -4.413 11.471 1.00 54.25 H new ATOM 0 HG3 MET A 48 0.044 -2.724 11.175 1.00 54.25 H new ATOM 0 HE1 MET A 48 3.899 -2.732 12.029 1.00 12.50 H new ATOM 0 HE2 MET A 48 2.992 -4.005 11.179 1.00 12.50 H new ATOM 0 HE3 MET A 48 2.661 -2.292 10.829 1.00 12.50 H new ATOM 719 N ARG A 49 -1.720 -4.239 16.178 1.00 45.20 N ATOM 720 CA ARG A 49 -2.733 -4.030 17.208 1.00 0.41 C ATOM 721 C ARG A 49 -2.989 -2.539 17.428 1.00 13.23 C ATOM 722 O ARG A 49 -3.811 -2.153 18.260 1.00 2.32 O ATOM 723 CB ARG A 49 -2.313 -4.703 18.518 1.00 2.21 C ATOM 724 CG ARG A 49 -0.997 -4.196 19.078 1.00 63.53 C ATOM 725 CD ARG A 49 -0.631 -4.921 20.360 1.00 13.11 C ATOM 726 NE ARG A 49 0.591 -4.391 20.956 1.00 61.11 N ATOM 727 CZ ARG A 49 1.412 -5.102 21.726 1.00 44.40 C ATOM 728 NH1 ARG A 49 1.172 -6.388 21.960 1.00 64.30 N ATOM 729 NH2 ARG A 49 2.487 -4.527 22.245 1.00 71.34 N ATOM 0 H ARG A 49 -0.758 -4.165 16.509 1.00 45.20 H new ATOM 0 HA ARG A 49 -3.663 -4.486 16.867 1.00 0.41 H new ATOM 0 HB2 ARG A 49 -3.096 -4.549 19.261 1.00 2.21 H new ATOM 0 HB3 ARG A 49 -2.236 -5.778 18.354 1.00 2.21 H new ATOM 0 HG2 ARG A 49 -0.207 -4.335 18.340 1.00 63.53 H new ATOM 0 HG3 ARG A 49 -1.069 -3.125 19.270 1.00 63.53 H new ATOM 0 HD2 ARG A 49 -1.450 -4.833 21.073 1.00 13.11 H new ATOM 0 HD3 ARG A 49 -0.502 -5.983 20.152 1.00 13.11 H new ATOM 0 HE ARG A 49 0.831 -3.417 20.772 1.00 61.11 H new ATOM 0 HH11 ARG A 49 0.354 -6.837 21.548 1.00 64.30 H new ATOM 0 HH12 ARG A 49 1.806 -6.926 22.551 1.00 64.30 H new ATOM 0 HH21 ARG A 49 2.682 -3.544 22.054 1.00 71.34 H new ATOM 0 HH22 ARG A 49 3.119 -5.067 22.836 1.00 71.34 H new ATOM 743 N ASN A 50 -2.277 -1.705 16.685 1.00 11.40 N ATOM 744 CA ASN A 50 -2.461 -0.260 16.766 1.00 12.24 C ATOM 745 C ASN A 50 -2.766 0.324 15.392 1.00 64.42 C ATOM 746 O ASN A 50 -3.825 0.914 15.179 1.00 74.30 O ATOM 747 CB ASN A 50 -1.211 0.412 17.347 1.00 33.21 C ATOM 748 CG ASN A 50 -1.312 1.929 17.343 1.00 41.32 C ATOM 749 OD1 ASN A 50 -0.942 2.588 16.371 1.00 60.31 O ATOM 750 ND2 ASN A 50 -1.795 2.497 18.435 1.00 22.33 N ATOM 0 H ASN A 50 -1.565 -2.003 16.018 1.00 11.40 H new ATOM 0 HA ASN A 50 -3.307 -0.067 17.426 1.00 12.24 H new ATOM 0 HB2 ASN A 50 -1.056 0.064 18.368 1.00 33.21 H new ATOM 0 HB3 ASN A 50 -0.337 0.107 16.771 1.00 33.21 H new ATOM 0 HD21 ASN A 50 -1.870 3.513 18.491 1.00 22.33 H new ATOM 0 HD22 ASN A 50 -2.092 1.919 19.222 1.00 22.33 H new ATOM 757 N VAL A 51 -1.834 0.131 14.464 1.00 31.31 N ATOM 758 CA VAL A 51 -1.930 0.711 13.126 1.00 52.51 C ATOM 759 C VAL A 51 -3.121 0.144 12.352 1.00 43.35 C ATOM 760 O VAL A 51 -3.701 0.817 11.497 1.00 13.12 O ATOM 761 CB VAL A 51 -0.632 0.468 12.323 1.00 43.32 C ATOM 762 CG1 VAL A 51 -0.682 1.162 10.969 1.00 72.44 C ATOM 763 CG2 VAL A 51 0.584 0.928 13.112 1.00 74.42 C ATOM 0 H VAL A 51 -0.995 -0.428 14.615 1.00 31.31 H new ATOM 0 HA VAL A 51 -2.077 1.783 13.254 1.00 52.51 H new ATOM 0 HB VAL A 51 -0.546 -0.605 12.149 1.00 43.32 H new ATOM 0 HG11 VAL A 51 0.245 0.972 10.428 1.00 72.44 H new ATOM 0 HG12 VAL A 51 -1.523 0.776 10.393 1.00 72.44 H new ATOM 0 HG13 VAL A 51 -0.804 2.235 11.115 1.00 72.44 H new ATOM 0 HG21 VAL A 51 1.486 0.747 12.528 1.00 74.42 H new ATOM 0 HG22 VAL A 51 0.497 1.993 13.326 1.00 74.42 H new ATOM 0 HG23 VAL A 51 0.641 0.373 14.049 1.00 74.42 H new ATOM 773 N ALA A 52 -3.487 -1.096 12.658 1.00 34.21 N ATOM 774 CA ALA A 52 -4.564 -1.773 11.944 1.00 53.35 C ATOM 775 C ALA A 52 -5.901 -1.072 12.145 1.00 1.31 C ATOM 776 O ALA A 52 -6.831 -1.279 11.372 1.00 3.21 O ATOM 777 CB ALA A 52 -4.664 -3.218 12.378 1.00 55.23 C ATOM 0 H ALA A 52 -3.054 -1.653 13.395 1.00 34.21 H new ATOM 0 HA ALA A 52 -4.323 -1.736 10.882 1.00 53.35 H new ATOM 0 HB1 ALA A 52 -5.473 -3.706 11.834 1.00 55.23 H new ATOM 0 HB2 ALA A 52 -3.724 -3.728 12.165 1.00 55.23 H new ATOM 0 HB3 ALA A 52 -4.867 -3.263 13.448 1.00 55.23 H new ATOM 783 N GLY A 53 -5.997 -0.251 13.185 1.00 2.31 N ATOM 784 CA GLY A 53 -7.192 0.540 13.391 1.00 54.44 C ATOM 785 C GLY A 53 -7.444 1.461 12.215 1.00 31.13 C ATOM 786 O GLY A 53 -8.566 1.565 11.716 1.00 0.12 O ATOM 0 H GLY A 53 -5.269 -0.120 13.887 1.00 2.31 H new ATOM 0 HA2 GLY A 53 -8.049 -0.119 13.531 1.00 54.44 H new ATOM 0 HA3 GLY A 53 -7.090 1.128 14.303 1.00 54.44 H new ATOM 790 N GLU A 54 -6.384 2.115 11.762 1.00 53.40 N ATOM 791 CA GLU A 54 -6.449 2.983 10.596 1.00 12.12 C ATOM 792 C GLU A 54 -6.614 2.149 9.329 1.00 41.15 C ATOM 793 O GLU A 54 -7.343 2.523 8.408 1.00 52.11 O ATOM 794 CB GLU A 54 -5.181 3.841 10.489 1.00 1.02 C ATOM 795 CG GLU A 54 -5.030 4.897 11.579 1.00 52.35 C ATOM 796 CD GLU A 54 -4.936 4.313 12.974 1.00 44.14 C ATOM 797 OE1 GLU A 54 -4.030 3.498 13.227 1.00 64.31 O ATOM 798 OE2 GLU A 54 -5.766 4.677 13.833 1.00 10.33 O ATOM 0 H GLU A 54 -5.460 2.059 12.190 1.00 53.40 H new ATOM 0 HA GLU A 54 -7.310 3.642 10.707 1.00 12.12 H new ATOM 0 HB2 GLU A 54 -4.311 3.184 10.516 1.00 1.02 H new ATOM 0 HB3 GLU A 54 -5.176 4.337 9.519 1.00 1.02 H new ATOM 0 HG2 GLU A 54 -4.136 5.489 11.380 1.00 52.35 H new ATOM 0 HG3 GLU A 54 -5.880 5.578 11.535 1.00 52.35 H new ATOM 805 N ILE A 55 -5.937 1.006 9.300 1.00 70.02 N ATOM 806 CA ILE A 55 -5.964 0.119 8.143 1.00 24.31 C ATOM 807 C ILE A 55 -7.366 -0.450 7.924 1.00 25.24 C ATOM 808 O ILE A 55 -7.832 -0.554 6.789 1.00 43.14 O ATOM 809 CB ILE A 55 -4.951 -1.042 8.299 1.00 31.22 C ATOM 810 CG1 ILE A 55 -3.532 -0.499 8.499 1.00 61.31 C ATOM 811 CG2 ILE A 55 -4.996 -1.969 7.091 1.00 42.55 C ATOM 812 CD1 ILE A 55 -3.031 0.357 7.354 1.00 42.12 C ATOM 0 H ILE A 55 -5.359 0.671 10.071 1.00 70.02 H new ATOM 0 HA ILE A 55 -5.681 0.713 7.274 1.00 24.31 H new ATOM 0 HB ILE A 55 -5.232 -1.616 9.182 1.00 31.22 H new ATOM 0 HG12 ILE A 55 -3.505 0.089 9.417 1.00 61.31 H new ATOM 0 HG13 ILE A 55 -2.850 -1.338 8.637 1.00 61.31 H new ATOM 0 HG21 ILE A 55 -4.276 -2.776 7.225 1.00 42.55 H new ATOM 0 HG22 ILE A 55 -5.997 -2.389 6.992 1.00 42.55 H new ATOM 0 HG23 ILE A 55 -4.748 -1.406 6.191 1.00 42.55 H new ATOM 0 HD11 ILE A 55 -2.020 0.702 7.573 1.00 42.12 H new ATOM 0 HD12 ILE A 55 -3.023 -0.231 6.436 1.00 42.12 H new ATOM 0 HD13 ILE A 55 -3.689 1.217 7.228 1.00 42.12 H new ATOM 824 N ALA A 56 -8.040 -0.798 9.015 1.00 1.25 N ATOM 825 CA ALA A 56 -9.382 -1.367 8.948 1.00 71.52 C ATOM 826 C ALA A 56 -10.360 -0.405 8.284 1.00 13.42 C ATOM 827 O ALA A 56 -11.288 -0.829 7.592 1.00 43.42 O ATOM 828 CB ALA A 56 -9.870 -1.735 10.341 1.00 31.31 C ATOM 0 H ALA A 56 -7.676 -0.695 9.962 1.00 1.25 H new ATOM 0 HA ALA A 56 -9.332 -2.270 8.339 1.00 71.52 H new ATOM 0 HB1 ALA A 56 -10.872 -2.158 10.275 1.00 31.31 H new ATOM 0 HB2 ALA A 56 -9.195 -2.469 10.781 1.00 31.31 H new ATOM 0 HB3 ALA A 56 -9.893 -0.842 10.966 1.00 31.31 H new ATOM 834 N ALA A 57 -10.145 0.888 8.490 1.00 72.41 N ATOM 835 CA ALA A 57 -10.994 1.907 7.892 1.00 61.55 C ATOM 836 C ALA A 57 -10.814 1.933 6.378 1.00 31.30 C ATOM 837 O ALA A 57 -11.780 2.068 5.626 1.00 15.12 O ATOM 838 CB ALA A 57 -10.686 3.271 8.490 1.00 62.52 C ATOM 0 H ALA A 57 -9.389 1.255 9.068 1.00 72.41 H new ATOM 0 HA ALA A 57 -12.034 1.661 8.109 1.00 61.55 H new ATOM 0 HB1 ALA A 57 -11.329 4.023 8.032 1.00 62.52 H new ATOM 0 HB2 ALA A 57 -10.865 3.246 9.565 1.00 62.52 H new ATOM 0 HB3 ALA A 57 -9.642 3.523 8.302 1.00 62.52 H new ATOM 844 N ALA A 58 -9.573 1.784 5.936 1.00 14.34 N ATOM 845 CA ALA A 58 -9.261 1.784 4.513 1.00 12.31 C ATOM 846 C ALA A 58 -9.622 0.447 3.872 1.00 22.13 C ATOM 847 O ALA A 58 -9.882 0.379 2.673 1.00 21.33 O ATOM 848 CB ALA A 58 -7.788 2.100 4.295 1.00 52.34 C ATOM 0 H ALA A 58 -8.763 1.661 6.544 1.00 14.34 H new ATOM 0 HA ALA A 58 -9.860 2.559 4.034 1.00 12.31 H new ATOM 0 HB1 ALA A 58 -7.569 2.097 3.227 1.00 52.34 H new ATOM 0 HB2 ALA A 58 -7.562 3.083 4.709 1.00 52.34 H new ATOM 0 HB3 ALA A 58 -7.177 1.347 4.793 1.00 52.34 H new ATOM 854 N LEU A 59 -9.643 -0.607 4.686 1.00 54.34 N ATOM 855 CA LEU A 59 -9.926 -1.962 4.218 1.00 74.14 C ATOM 856 C LEU A 59 -11.239 -2.005 3.436 1.00 51.44 C ATOM 857 O LEU A 59 -11.262 -2.381 2.264 1.00 1.53 O ATOM 858 CB LEU A 59 -9.983 -2.920 5.421 1.00 74.53 C ATOM 859 CG LEU A 59 -9.896 -4.422 5.104 1.00 31.31 C ATOM 860 CD1 LEU A 59 -9.527 -5.201 6.357 1.00 71.12 C ATOM 861 CD2 LEU A 59 -11.213 -4.952 4.545 1.00 0.01 C ATOM 0 H LEU A 59 -9.464 -0.545 5.688 1.00 54.34 H new ATOM 0 HA LEU A 59 -9.127 -2.277 3.546 1.00 74.14 H new ATOM 0 HB2 LEU A 59 -9.168 -2.666 6.099 1.00 74.53 H new ATOM 0 HB3 LEU A 59 -10.913 -2.738 5.959 1.00 74.53 H new ATOM 0 HG LEU A 59 -9.123 -4.556 4.347 1.00 31.31 H new ATOM 0 HD11 LEU A 59 -9.468 -6.263 6.121 1.00 71.12 H new ATOM 0 HD12 LEU A 59 -8.561 -4.858 6.728 1.00 71.12 H new ATOM 0 HD13 LEU A 59 -10.287 -5.041 7.122 1.00 71.12 H new ATOM 0 HD21 LEU A 59 -11.116 -6.017 4.332 1.00 0.01 H new ATOM 0 HD22 LEU A 59 -12.006 -4.799 5.277 1.00 0.01 H new ATOM 0 HD23 LEU A 59 -11.459 -4.419 3.626 1.00 0.01 H new ATOM 873 N TYR A 60 -12.327 -1.604 4.084 1.00 0.31 N ATOM 874 CA TYR A 60 -13.642 -1.642 3.449 1.00 45.34 C ATOM 875 C TYR A 60 -13.757 -0.611 2.337 1.00 4.23 C ATOM 876 O TYR A 60 -14.495 -0.816 1.375 1.00 63.42 O ATOM 877 CB TYR A 60 -14.759 -1.452 4.476 1.00 54.23 C ATOM 878 CG TYR A 60 -15.124 -2.729 5.190 1.00 51.14 C ATOM 879 CD1 TYR A 60 -15.949 -3.664 4.580 1.00 2.05 C ATOM 880 CD2 TYR A 60 -14.643 -3.006 6.460 1.00 40.41 C ATOM 881 CE1 TYR A 60 -16.284 -4.841 5.215 1.00 13.52 C ATOM 882 CE2 TYR A 60 -14.975 -4.182 7.102 1.00 5.53 C ATOM 883 CZ TYR A 60 -15.796 -5.096 6.475 1.00 1.22 C ATOM 884 OH TYR A 60 -16.133 -6.266 7.112 1.00 22.22 O ATOM 0 H TYR A 60 -12.327 -1.251 5.041 1.00 0.31 H new ATOM 0 HA TYR A 60 -13.754 -2.630 3.002 1.00 45.34 H new ATOM 0 HB2 TYR A 60 -14.448 -0.708 5.209 1.00 54.23 H new ATOM 0 HB3 TYR A 60 -15.643 -1.057 3.975 1.00 54.23 H new ATOM 0 HD1 TYR A 60 -16.335 -3.466 3.591 1.00 2.05 H new ATOM 0 HD2 TYR A 60 -14.000 -2.292 6.954 1.00 40.41 H new ATOM 0 HE1 TYR A 60 -16.926 -5.559 4.726 1.00 13.52 H new ATOM 0 HE2 TYR A 60 -14.593 -4.386 8.092 1.00 5.53 H new ATOM 0 HH TYR A 60 -15.706 -6.293 7.993 1.00 22.22 H new ATOM 894 N ALA A 61 -13.011 0.482 2.457 1.00 33.45 N ATOM 895 CA ALA A 61 -13.006 1.513 1.427 1.00 60.33 C ATOM 896 C ALA A 61 -12.458 0.951 0.120 1.00 21.20 C ATOM 897 O ALA A 61 -13.065 1.108 -0.939 1.00 33.13 O ATOM 898 CB ALA A 61 -12.190 2.717 1.879 1.00 61.42 C ATOM 0 H ALA A 61 -12.405 0.676 3.254 1.00 33.45 H new ATOM 0 HA ALA A 61 -14.032 1.841 1.259 1.00 60.33 H new ATOM 0 HB1 ALA A 61 -12.198 3.476 1.097 1.00 61.42 H new ATOM 0 HB2 ALA A 61 -12.624 3.130 2.790 1.00 61.42 H new ATOM 0 HB3 ALA A 61 -11.163 2.408 2.074 1.00 61.42 H new ATOM 904 N VAL A 62 -11.325 0.267 0.216 1.00 70.11 N ATOM 905 CA VAL A 62 -10.689 -0.341 -0.944 1.00 43.25 C ATOM 906 C VAL A 62 -11.495 -1.546 -1.434 1.00 43.25 C ATOM 907 O VAL A 62 -11.594 -1.794 -2.638 1.00 31.43 O ATOM 908 CB VAL A 62 -9.243 -0.779 -0.619 1.00 65.52 C ATOM 909 CG1 VAL A 62 -8.605 -1.479 -1.806 1.00 73.45 C ATOM 910 CG2 VAL A 62 -8.406 0.419 -0.193 1.00 4.00 C ATOM 0 H VAL A 62 -10.825 0.119 1.093 1.00 70.11 H new ATOM 0 HA VAL A 62 -10.657 0.410 -1.733 1.00 43.25 H new ATOM 0 HB VAL A 62 -9.283 -1.487 0.209 1.00 65.52 H new ATOM 0 HG11 VAL A 62 -7.588 -1.776 -1.550 1.00 73.45 H new ATOM 0 HG12 VAL A 62 -9.188 -2.363 -2.063 1.00 73.45 H new ATOM 0 HG13 VAL A 62 -8.580 -0.800 -2.659 1.00 73.45 H new ATOM 0 HG21 VAL A 62 -7.391 0.092 0.032 1.00 4.00 H new ATOM 0 HG22 VAL A 62 -8.381 1.151 -1.000 1.00 4.00 H new ATOM 0 HG23 VAL A 62 -8.846 0.873 0.695 1.00 4.00 H new ATOM 920 N LYS A 63 -12.085 -2.277 -0.495 1.00 31.54 N ATOM 921 CA LYS A 63 -12.883 -3.452 -0.827 1.00 1.03 C ATOM 922 C LYS A 63 -14.035 -3.078 -1.758 1.00 42.14 C ATOM 923 O LYS A 63 -14.236 -3.712 -2.794 1.00 62.14 O ATOM 924 CB LYS A 63 -13.427 -4.110 0.447 1.00 42.03 C ATOM 925 CG LYS A 63 -14.097 -5.453 0.201 1.00 63.00 C ATOM 926 CD LYS A 63 -14.659 -6.047 1.483 1.00 0.34 C ATOM 927 CE LYS A 63 -15.228 -7.437 1.248 1.00 1.41 C ATOM 928 NZ LYS A 63 -15.884 -7.989 2.464 1.00 32.22 N ATOM 0 H LYS A 63 -12.026 -2.077 0.503 1.00 31.54 H new ATOM 0 HA LYS A 63 -12.239 -4.165 -1.342 1.00 1.03 H new ATOM 0 HB2 LYS A 63 -12.608 -4.246 1.154 1.00 42.03 H new ATOM 0 HB3 LYS A 63 -14.144 -3.436 0.916 1.00 42.03 H new ATOM 0 HG2 LYS A 63 -14.900 -5.331 -0.526 1.00 63.00 H new ATOM 0 HG3 LYS A 63 -13.376 -6.145 -0.234 1.00 63.00 H new ATOM 0 HD2 LYS A 63 -13.874 -6.096 2.237 1.00 0.34 H new ATOM 0 HD3 LYS A 63 -15.439 -5.395 1.877 1.00 0.34 H new ATOM 0 HE2 LYS A 63 -15.951 -7.399 0.433 1.00 1.41 H new ATOM 0 HE3 LYS A 63 -14.428 -8.107 0.933 1.00 1.41 H new ATOM 0 HZ1 LYS A 63 -16.257 -8.938 2.257 1.00 32.22 H new ATOM 0 HZ2 LYS A 63 -15.189 -8.051 3.235 1.00 32.22 H new ATOM 0 HZ3 LYS A 63 -16.665 -7.365 2.751 1.00 32.22 H new ATOM 942 N LYS A 64 -14.778 -2.035 -1.398 1.00 24.51 N ATOM 943 CA LYS A 64 -15.911 -1.598 -2.206 1.00 63.30 C ATOM 944 C LYS A 64 -15.444 -0.856 -3.456 1.00 61.14 C ATOM 945 O LYS A 64 -16.137 -0.851 -4.470 1.00 72.14 O ATOM 946 CB LYS A 64 -16.883 -0.736 -1.393 1.00 20.34 C ATOM 947 CG LYS A 64 -16.263 0.505 -0.779 1.00 52.31 C ATOM 948 CD LYS A 64 -17.290 1.297 0.009 1.00 34.04 C ATOM 949 CE LYS A 64 -16.646 2.432 0.783 1.00 64.03 C ATOM 950 NZ LYS A 64 -17.649 3.213 1.551 1.00 54.05 N ATOM 0 H LYS A 64 -14.617 -1.480 -0.557 1.00 24.51 H new ATOM 0 HA LYS A 64 -16.447 -2.493 -2.523 1.00 63.30 H new ATOM 0 HB2 LYS A 64 -17.707 -0.433 -2.039 1.00 20.34 H new ATOM 0 HB3 LYS A 64 -17.310 -1.345 -0.596 1.00 20.34 H new ATOM 0 HG2 LYS A 64 -15.440 0.218 -0.124 1.00 52.31 H new ATOM 0 HG3 LYS A 64 -15.841 1.131 -1.565 1.00 52.31 H new ATOM 0 HD2 LYS A 64 -18.040 1.700 -0.672 1.00 34.04 H new ATOM 0 HD3 LYS A 64 -17.810 0.634 0.700 1.00 34.04 H new ATOM 0 HE2 LYS A 64 -15.899 2.028 1.466 1.00 64.03 H new ATOM 0 HE3 LYS A 64 -16.122 3.092 0.092 1.00 64.03 H new ATOM 0 HZ1 LYS A 64 -17.171 3.979 2.067 1.00 54.05 H new ATOM 0 HZ2 LYS A 64 -18.348 3.619 0.897 1.00 54.05 H new ATOM 0 HZ3 LYS A 64 -18.131 2.588 2.228 1.00 54.05 H new ATOM 964 N ALA A 65 -14.273 -0.231 -3.378 1.00 34.14 N ATOM 965 CA ALA A 65 -13.692 0.468 -4.524 1.00 65.04 C ATOM 966 C ALA A 65 -13.609 -0.447 -5.742 1.00 2.01 C ATOM 967 O ALA A 65 -13.786 -0.007 -6.879 1.00 30.24 O ATOM 968 CB ALA A 65 -12.310 0.994 -4.182 1.00 63.45 C ATOM 0 H ALA A 65 -13.705 -0.193 -2.532 1.00 34.14 H new ATOM 0 HA ALA A 65 -14.344 1.307 -4.766 1.00 65.04 H new ATOM 0 HB1 ALA A 65 -11.893 1.511 -5.046 1.00 63.45 H new ATOM 0 HB2 ALA A 65 -12.382 1.688 -3.344 1.00 63.45 H new ATOM 0 HB3 ALA A 65 -11.661 0.162 -3.910 1.00 63.45 H new ATOM 974 N SER A 66 -13.345 -1.722 -5.489 1.00 72.23 N ATOM 975 CA SER A 66 -13.288 -2.725 -6.540 1.00 43.12 C ATOM 976 C SER A 66 -14.646 -2.853 -7.241 1.00 31.03 C ATOM 977 O SER A 66 -14.715 -3.048 -8.454 1.00 72.32 O ATOM 978 CB SER A 66 -12.860 -4.068 -5.943 1.00 60.42 C ATOM 979 OG SER A 66 -12.737 -5.063 -6.941 1.00 34.35 O ATOM 0 H SER A 66 -13.165 -2.087 -4.554 1.00 72.23 H new ATOM 0 HA SER A 66 -12.555 -2.417 -7.285 1.00 43.12 H new ATOM 0 HB2 SER A 66 -11.908 -3.950 -5.426 1.00 60.42 H new ATOM 0 HB3 SER A 66 -13.590 -4.386 -5.199 1.00 60.42 H new ATOM 0 HG SER A 66 -12.779 -5.950 -6.526 1.00 34.35 H new ATOM 985 N GLN A 67 -15.723 -2.720 -6.472 1.00 42.33 N ATOM 986 CA GLN A 67 -17.066 -2.798 -7.018 1.00 43.43 C ATOM 987 C GLN A 67 -17.421 -1.508 -7.750 1.00 45.33 C ATOM 988 O GLN A 67 -18.064 -1.534 -8.798 1.00 4.11 O ATOM 989 CB GLN A 67 -18.083 -3.063 -5.908 1.00 72.23 C ATOM 990 CG GLN A 67 -18.088 -4.490 -5.371 1.00 75.13 C ATOM 991 CD GLN A 67 -16.962 -4.765 -4.392 1.00 41.11 C ATOM 992 OE1 GLN A 67 -17.110 -4.556 -3.187 1.00 31.33 O ATOM 993 NE2 GLN A 67 -15.838 -5.247 -4.893 1.00 31.01 N ATOM 0 H GLN A 67 -15.687 -2.557 -5.466 1.00 42.33 H new ATOM 0 HA GLN A 67 -17.097 -3.625 -7.727 1.00 43.43 H new ATOM 0 HB2 GLN A 67 -17.884 -2.380 -5.082 1.00 72.23 H new ATOM 0 HB3 GLN A 67 -19.079 -2.828 -6.284 1.00 72.23 H new ATOM 0 HG2 GLN A 67 -19.042 -4.683 -4.881 1.00 75.13 H new ATOM 0 HG3 GLN A 67 -18.012 -5.186 -6.207 1.00 75.13 H new ATOM 0 HE21 GLN A 67 -15.754 -5.406 -5.897 1.00 31.01 H new ATOM 0 HE22 GLN A 67 -15.054 -5.460 -4.276 1.00 31.01 H new ATOM 1002 N LEU A 68 -16.994 -0.380 -7.190 1.00 50.33 N ATOM 1003 CA LEU A 68 -17.233 0.923 -7.810 1.00 74.34 C ATOM 1004 C LEU A 68 -16.448 1.055 -9.114 1.00 32.35 C ATOM 1005 O LEU A 68 -16.829 1.813 -10.006 1.00 43.23 O ATOM 1006 CB LEU A 68 -16.854 2.067 -6.857 1.00 35.15 C ATOM 1007 CG LEU A 68 -17.935 2.499 -5.853 1.00 21.55 C ATOM 1008 CD1 LEU A 68 -19.189 2.954 -6.580 1.00 75.42 C ATOM 1009 CD2 LEU A 68 -18.263 1.379 -4.874 1.00 73.35 C ATOM 0 H LEU A 68 -16.481 -0.340 -6.309 1.00 50.33 H new ATOM 0 HA LEU A 68 -18.298 0.992 -8.030 1.00 74.34 H new ATOM 0 HB2 LEU A 68 -15.967 1.768 -6.298 1.00 35.15 H new ATOM 0 HB3 LEU A 68 -16.576 2.934 -7.456 1.00 35.15 H new ATOM 0 HG LEU A 68 -17.540 3.338 -5.281 1.00 21.55 H new ATOM 0 HD11 LEU A 68 -19.942 3.256 -5.852 1.00 75.42 H new ATOM 0 HD12 LEU A 68 -18.949 3.799 -7.225 1.00 75.42 H new ATOM 0 HD13 LEU A 68 -19.577 2.134 -7.185 1.00 75.42 H new ATOM 0 HD21 LEU A 68 -19.031 1.717 -4.178 1.00 73.35 H new ATOM 0 HD22 LEU A 68 -18.628 0.511 -5.423 1.00 73.35 H new ATOM 0 HD23 LEU A 68 -17.365 1.106 -4.319 1.00 73.35 H new ATOM 1021 N GLY A 69 -15.355 0.309 -9.216 1.00 43.42 N ATOM 1022 CA GLY A 69 -14.571 0.297 -10.433 1.00 41.10 C ATOM 1023 C GLY A 69 -13.464 1.331 -10.421 1.00 21.01 C ATOM 1024 O GLY A 69 -13.131 1.903 -11.458 1.00 72.23 O ATOM 0 H GLY A 69 -14.997 -0.291 -8.472 1.00 43.42 H new ATOM 0 HA2 GLY A 69 -14.137 -0.693 -10.572 1.00 41.10 H new ATOM 0 HA3 GLY A 69 -15.226 0.481 -11.285 1.00 41.10 H new ATOM 1028 N VAL A 70 -12.900 1.582 -9.249 1.00 15.30 N ATOM 1029 CA VAL A 70 -11.798 2.525 -9.124 1.00 53.40 C ATOM 1030 C VAL A 70 -10.583 1.847 -8.505 1.00 54.52 C ATOM 1031 O VAL A 70 -10.705 1.086 -7.546 1.00 4.35 O ATOM 1032 CB VAL A 70 -12.182 3.775 -8.293 1.00 31.42 C ATOM 1033 CG1 VAL A 70 -13.197 4.622 -9.043 1.00 11.41 C ATOM 1034 CG2 VAL A 70 -12.727 3.382 -6.926 1.00 51.20 C ATOM 0 H VAL A 70 -13.186 1.147 -8.372 1.00 15.30 H new ATOM 0 HA VAL A 70 -11.555 2.862 -10.132 1.00 53.40 H new ATOM 0 HB VAL A 70 -11.278 4.365 -8.139 1.00 31.42 H new ATOM 0 HG11 VAL A 70 -13.455 5.496 -8.444 1.00 11.41 H new ATOM 0 HG12 VAL A 70 -12.770 4.946 -9.992 1.00 11.41 H new ATOM 0 HG13 VAL A 70 -14.095 4.033 -9.231 1.00 11.41 H new ATOM 0 HG21 VAL A 70 -12.988 4.280 -6.366 1.00 51.20 H new ATOM 0 HG22 VAL A 70 -13.615 2.763 -7.053 1.00 51.20 H new ATOM 0 HG23 VAL A 70 -11.969 2.821 -6.380 1.00 51.20 H new ATOM 1044 N LYS A 71 -9.419 2.103 -9.079 1.00 33.24 N ATOM 1045 CA LYS A 71 -8.179 1.526 -8.588 1.00 3.13 C ATOM 1046 C LYS A 71 -7.009 2.431 -8.926 1.00 51.02 C ATOM 1047 O LYS A 71 -7.178 3.458 -9.583 1.00 33.51 O ATOM 1048 CB LYS A 71 -7.948 0.134 -9.191 1.00 72.20 C ATOM 1049 CG LYS A 71 -7.981 0.103 -10.714 1.00 64.11 C ATOM 1050 CD LYS A 71 -7.473 -1.225 -11.257 1.00 11.21 C ATOM 1051 CE LYS A 71 -5.972 -1.372 -11.048 1.00 34.42 C ATOM 1052 NZ LYS A 71 -5.474 -2.719 -11.441 1.00 62.44 N ATOM 0 H LYS A 71 -9.307 2.711 -9.891 1.00 33.24 H new ATOM 0 HA LYS A 71 -8.257 1.428 -7.505 1.00 3.13 H new ATOM 0 HB2 LYS A 71 -6.983 -0.242 -8.851 1.00 72.20 H new ATOM 0 HB3 LYS A 71 -8.708 -0.547 -8.808 1.00 72.20 H new ATOM 0 HG2 LYS A 71 -9.001 0.273 -11.060 1.00 64.11 H new ATOM 0 HG3 LYS A 71 -7.371 0.916 -11.109 1.00 64.11 H new ATOM 0 HD2 LYS A 71 -7.993 -2.045 -10.762 1.00 11.21 H new ATOM 0 HD3 LYS A 71 -7.703 -1.297 -12.320 1.00 11.21 H new ATOM 0 HE2 LYS A 71 -5.451 -0.611 -11.629 1.00 34.42 H new ATOM 0 HE3 LYS A 71 -5.734 -1.191 -10.000 1.00 34.42 H new ATOM 0 HZ1 LYS A 71 -4.536 -2.628 -11.880 1.00 62.44 H new ATOM 0 HZ2 LYS A 71 -5.405 -3.323 -10.597 1.00 62.44 H new ATOM 0 HZ3 LYS A 71 -6.134 -3.148 -12.121 1.00 62.44 H new ATOM 1066 N ILE A 72 -5.829 2.057 -8.469 1.00 30.33 N ATOM 1067 CA ILE A 72 -4.620 2.788 -8.805 1.00 14.32 C ATOM 1068 C ILE A 72 -3.519 1.845 -9.253 1.00 32.44 C ATOM 1069 O ILE A 72 -3.707 0.627 -9.280 1.00 5.32 O ATOM 1070 CB ILE A 72 -4.108 3.650 -7.637 1.00 32.45 C ATOM 1071 CG1 ILE A 72 -4.237 2.932 -6.287 1.00 41.32 C ATOM 1072 CG2 ILE A 72 -4.842 4.967 -7.615 1.00 31.03 C ATOM 1073 CD1 ILE A 72 -3.166 1.893 -6.034 1.00 11.01 C ATOM 0 H ILE A 72 -5.681 1.250 -7.863 1.00 30.33 H new ATOM 0 HA ILE A 72 -4.886 3.455 -9.625 1.00 14.32 H new ATOM 0 HB ILE A 72 -3.045 3.832 -7.796 1.00 32.45 H new ATOM 0 HG12 ILE A 72 -4.204 3.674 -5.489 1.00 41.32 H new ATOM 0 HG13 ILE A 72 -5.214 2.451 -6.235 1.00 41.32 H new ATOM 0 HG21 ILE A 72 -4.476 5.574 -6.787 1.00 31.03 H new ATOM 0 HG22 ILE A 72 -4.672 5.494 -8.554 1.00 31.03 H new ATOM 0 HG23 ILE A 72 -5.910 4.787 -7.489 1.00 31.03 H new ATOM 0 HD11 ILE A 72 -3.329 1.432 -5.060 1.00 11.01 H new ATOM 0 HD12 ILE A 72 -3.211 1.128 -6.809 1.00 11.01 H new ATOM 0 HD13 ILE A 72 -2.186 2.369 -6.051 1.00 11.01 H new ATOM 1085 N ARG A 73 -2.379 2.406 -9.618 1.00 51.03 N ATOM 1086 CA ARG A 73 -1.209 1.604 -9.921 1.00 55.40 C ATOM 1087 C ARG A 73 0.025 2.206 -9.274 1.00 3.35 C ATOM 1088 O ARG A 73 0.515 3.254 -9.702 1.00 44.52 O ATOM 1089 CB ARG A 73 -0.984 1.476 -11.428 1.00 4.20 C ATOM 1090 CG ARG A 73 0.096 0.464 -11.773 1.00 23.25 C ATOM 1091 CD ARG A 73 0.363 0.403 -13.265 1.00 14.02 C ATOM 1092 NE ARG A 73 1.088 1.574 -13.746 1.00 12.20 N ATOM 1093 CZ ARG A 73 1.800 1.592 -14.869 1.00 72.15 C ATOM 1094 NH1 ARG A 73 1.885 0.500 -15.621 1.00 71.51 N ATOM 1095 NH2 ARG A 73 2.439 2.698 -15.234 1.00 42.25 N ATOM 0 H ARG A 73 -2.240 3.412 -9.711 1.00 51.03 H new ATOM 0 HA ARG A 73 -1.386 0.607 -9.518 1.00 55.40 H new ATOM 0 HB2 ARG A 73 -1.918 1.183 -11.908 1.00 4.20 H new ATOM 0 HB3 ARG A 73 -0.708 2.449 -11.835 1.00 4.20 H new ATOM 0 HG2 ARG A 73 1.017 0.724 -11.250 1.00 23.25 H new ATOM 0 HG3 ARG A 73 -0.204 -0.522 -11.418 1.00 23.25 H new ATOM 0 HD2 ARG A 73 0.937 -0.496 -13.493 1.00 14.02 H new ATOM 0 HD3 ARG A 73 -0.584 0.320 -13.798 1.00 14.02 H new ATOM 0 HE ARG A 73 1.046 2.428 -13.189 1.00 12.20 H new ATOM 0 HH11 ARG A 73 1.404 -0.353 -15.337 1.00 71.51 H new ATOM 0 HH12 ARG A 73 2.431 0.515 -16.482 1.00 71.51 H new ATOM 0 HH21 ARG A 73 2.384 3.534 -14.653 1.00 42.25 H new ATOM 0 HH22 ARG A 73 2.985 2.711 -16.096 1.00 42.25 H new ATOM 1109 N ILE A 74 0.509 1.559 -8.232 1.00 41.34 N ATOM 1110 CA ILE A 74 1.744 1.972 -7.597 1.00 34.50 C ATOM 1111 C ILE A 74 2.895 1.249 -8.275 1.00 71.52 C ATOM 1112 O ILE A 74 2.870 0.023 -8.374 1.00 53.54 O ATOM 1113 CB ILE A 74 1.753 1.649 -6.090 1.00 13.04 C ATOM 1114 CG1 ILE A 74 0.515 2.232 -5.408 1.00 50.23 C ATOM 1115 CG2 ILE A 74 3.021 2.187 -5.441 1.00 33.11 C ATOM 1116 CD1 ILE A 74 0.353 1.788 -3.970 1.00 33.31 C ATOM 0 H ILE A 74 0.065 0.745 -7.807 1.00 41.34 H new ATOM 0 HA ILE A 74 1.843 3.053 -7.701 1.00 34.50 H new ATOM 0 HB ILE A 74 1.733 0.566 -5.969 1.00 13.04 H new ATOM 0 HG12 ILE A 74 0.571 3.320 -5.440 1.00 50.23 H new ATOM 0 HG13 ILE A 74 -0.371 1.942 -5.972 1.00 50.23 H new ATOM 0 HG21 ILE A 74 3.013 1.951 -4.377 1.00 33.11 H new ATOM 0 HG22 ILE A 74 3.892 1.727 -5.908 1.00 33.11 H new ATOM 0 HG23 ILE A 74 3.067 3.268 -5.573 1.00 33.11 H new ATOM 0 HD11 ILE A 74 -0.545 2.239 -3.549 1.00 33.31 H new ATOM 0 HD12 ILE A 74 0.265 0.702 -3.932 1.00 33.31 H new ATOM 0 HD13 ILE A 74 1.222 2.102 -3.392 1.00 33.31 H new ATOM 1128 N LEU A 75 3.882 2.013 -8.756 1.00 63.41 N ATOM 1129 CA LEU A 75 5.017 1.469 -9.515 1.00 53.15 C ATOM 1130 C LEU A 75 4.535 0.526 -10.629 1.00 1.20 C ATOM 1131 O LEU A 75 3.425 0.683 -11.143 1.00 1.03 O ATOM 1132 CB LEU A 75 6.067 0.813 -8.583 1.00 2.11 C ATOM 1133 CG LEU A 75 5.557 -0.193 -7.543 1.00 61.41 C ATOM 1134 CD1 LEU A 75 5.669 -1.621 -8.054 1.00 32.13 C ATOM 1135 CD2 LEU A 75 6.317 -0.029 -6.235 1.00 54.04 C ATOM 0 H LEU A 75 3.918 3.025 -8.631 1.00 63.41 H new ATOM 0 HA LEU A 75 5.526 2.300 -10.005 1.00 53.15 H new ATOM 0 HB2 LEU A 75 6.803 0.307 -9.208 1.00 2.11 H new ATOM 0 HB3 LEU A 75 6.591 1.609 -8.053 1.00 2.11 H new ATOM 0 HG LEU A 75 4.502 0.012 -7.363 1.00 61.41 H new ATOM 0 HD11 LEU A 75 5.300 -2.309 -7.294 1.00 32.13 H new ATOM 0 HD12 LEU A 75 5.075 -1.730 -8.962 1.00 32.13 H new ATOM 0 HD13 LEU A 75 6.712 -1.848 -8.273 1.00 32.13 H new ATOM 0 HD21 LEU A 75 5.945 -0.749 -5.506 1.00 54.04 H new ATOM 0 HD22 LEU A 75 7.379 -0.202 -6.407 1.00 54.04 H new ATOM 0 HD23 LEU A 75 6.171 0.982 -5.854 1.00 54.04 H new ATOM 1147 N HIS A 76 5.373 -0.410 -11.043 1.00 31.43 N ATOM 1148 CA HIS A 76 5.015 -1.313 -12.132 1.00 11.30 C ATOM 1149 C HIS A 76 4.510 -2.647 -11.593 1.00 3.35 C ATOM 1150 O HIS A 76 5.192 -3.300 -10.808 1.00 72.53 O ATOM 1151 CB HIS A 76 6.214 -1.536 -13.058 1.00 52.14 C ATOM 1152 CG HIS A 76 6.689 -0.286 -13.736 1.00 62.41 C ATOM 1153 ND1 HIS A 76 7.885 0.321 -13.435 1.00 73.23 N ATOM 1154 CD2 HIS A 76 6.120 0.470 -14.706 1.00 21.44 C ATOM 1155 CE1 HIS A 76 8.035 1.395 -14.184 1.00 42.11 C ATOM 1156 NE2 HIS A 76 6.979 1.511 -14.965 1.00 71.13 N ATOM 0 H HIS A 76 6.300 -0.566 -10.647 1.00 31.43 H new ATOM 0 HA HIS A 76 4.211 -0.850 -12.703 1.00 11.30 H new ATOM 0 HB2 HIS A 76 7.035 -1.960 -12.480 1.00 52.14 H new ATOM 0 HB3 HIS A 76 5.945 -2.271 -13.817 1.00 52.14 H new ATOM 0 HD2 HIS A 76 5.170 0.288 -15.186 1.00 21.44 H new ATOM 0 HE1 HIS A 76 8.880 2.067 -14.162 1.00 42.11 H new ATOM 0 HE2 HIS A 76 6.825 2.252 -15.649 1.00 71.13 H new ATOM 1165 N ASP A 77 3.307 -3.038 -12.016 1.00 11.24 N ATOM 1166 CA ASP A 77 2.699 -4.290 -11.564 1.00 12.22 C ATOM 1167 C ASP A 77 3.561 -5.478 -11.968 1.00 5.11 C ATOM 1168 O ASP A 77 4.054 -5.542 -13.098 1.00 14.32 O ATOM 1169 CB ASP A 77 1.299 -4.491 -12.161 1.00 5.23 C ATOM 1170 CG ASP A 77 0.379 -3.301 -11.987 1.00 15.31 C ATOM 1171 OD1 ASP A 77 -0.158 -3.105 -10.876 1.00 32.44 O ATOM 1172 OD2 ASP A 77 0.179 -2.567 -12.977 1.00 11.33 O ATOM 0 H ASP A 77 2.734 -2.506 -12.671 1.00 11.24 H new ATOM 0 HA ASP A 77 2.620 -4.227 -10.479 1.00 12.22 H new ATOM 0 HB2 ASP A 77 1.397 -4.709 -13.224 1.00 5.23 H new ATOM 0 HB3 ASP A 77 0.839 -5.364 -11.697 1.00 5.23 H new ATOM 1177 N TYR A 78 3.732 -6.413 -11.050 1.00 21.22 N ATOM 1178 CA TYR A 78 4.465 -7.636 -11.335 1.00 74.25 C ATOM 1179 C TYR A 78 3.501 -8.787 -11.594 1.00 15.23 C ATOM 1180 O TYR A 78 2.286 -8.589 -11.650 1.00 41.14 O ATOM 1181 CB TYR A 78 5.418 -7.978 -10.188 1.00 72.00 C ATOM 1182 CG TYR A 78 6.686 -7.150 -10.186 1.00 5.21 C ATOM 1183 CD1 TYR A 78 6.694 -5.849 -9.699 1.00 62.45 C ATOM 1184 CD2 TYR A 78 7.875 -7.676 -10.670 1.00 12.10 C ATOM 1185 CE1 TYR A 78 7.854 -5.096 -9.697 1.00 72.24 C ATOM 1186 CE2 TYR A 78 9.039 -6.930 -10.671 1.00 62.34 C ATOM 1187 CZ TYR A 78 9.024 -5.642 -10.182 1.00 40.31 C ATOM 1188 OH TYR A 78 10.182 -4.897 -10.182 1.00 74.21 O ATOM 0 H TYR A 78 3.372 -6.349 -10.098 1.00 21.22 H new ATOM 0 HA TYR A 78 5.061 -7.476 -12.234 1.00 74.25 H new ATOM 0 HB2 TYR A 78 4.899 -7.835 -9.240 1.00 72.00 H new ATOM 0 HB3 TYR A 78 5.683 -9.033 -10.250 1.00 72.00 H new ATOM 0 HD1 TYR A 78 5.780 -5.419 -9.316 1.00 62.45 H new ATOM 0 HD2 TYR A 78 7.892 -8.686 -11.053 1.00 12.10 H new ATOM 0 HE1 TYR A 78 7.844 -4.085 -9.317 1.00 72.24 H new ATOM 0 HE2 TYR A 78 9.955 -7.355 -11.053 1.00 62.34 H new ATOM 0 HH TYR A 78 10.914 -5.430 -10.556 1.00 74.21 H new ATOM 1198 N ALA A 79 4.043 -9.989 -11.734 1.00 44.22 N ATOM 1199 CA ALA A 79 3.251 -11.147 -12.129 1.00 22.11 C ATOM 1200 C ALA A 79 2.440 -11.705 -10.966 1.00 45.54 C ATOM 1201 O ALA A 79 1.400 -12.325 -11.176 1.00 32.33 O ATOM 1202 CB ALA A 79 4.155 -12.222 -12.706 1.00 2.34 C ATOM 0 H ALA A 79 5.031 -10.189 -11.579 1.00 44.22 H new ATOM 0 HA ALA A 79 2.544 -10.821 -12.892 1.00 22.11 H new ATOM 0 HB1 ALA A 79 3.555 -13.084 -12.998 1.00 2.34 H new ATOM 0 HB2 ALA A 79 4.676 -11.829 -13.579 1.00 2.34 H new ATOM 0 HB3 ALA A 79 4.884 -12.526 -11.955 1.00 2.34 H new ATOM 1208 N GLY A 80 2.919 -11.479 -9.748 1.00 24.23 N ATOM 1209 CA GLY A 80 2.245 -11.992 -8.567 1.00 33.45 C ATOM 1210 C GLY A 80 0.829 -11.469 -8.418 1.00 23.44 C ATOM 1211 O GLY A 80 -0.061 -12.193 -7.973 1.00 21.02 O ATOM 0 H GLY A 80 3.767 -10.946 -9.556 1.00 24.23 H new ATOM 0 HA2 GLY A 80 2.221 -13.081 -8.613 1.00 33.45 H new ATOM 0 HA3 GLY A 80 2.821 -11.723 -7.681 1.00 33.45 H new ATOM 1215 N ILE A 81 0.621 -10.214 -8.795 1.00 25.15 N ATOM 1216 CA ILE A 81 -0.689 -9.580 -8.685 1.00 20.31 C ATOM 1217 C ILE A 81 -1.735 -10.309 -9.534 1.00 61.35 C ATOM 1218 O ILE A 81 -2.828 -10.631 -9.059 1.00 72.24 O ATOM 1219 CB ILE A 81 -0.628 -8.098 -9.120 1.00 0.35 C ATOM 1220 CG1 ILE A 81 0.415 -7.333 -8.291 1.00 12.44 C ATOM 1221 CG2 ILE A 81 -1.998 -7.444 -8.991 1.00 4.55 C ATOM 1222 CD1 ILE A 81 0.117 -7.304 -6.804 1.00 3.01 C ATOM 0 H ILE A 81 1.347 -9.611 -9.182 1.00 25.15 H new ATOM 0 HA ILE A 81 -0.982 -9.636 -7.636 1.00 20.31 H new ATOM 0 HB ILE A 81 -0.328 -8.061 -10.167 1.00 0.35 H new ATOM 0 HG12 ILE A 81 1.393 -7.788 -8.447 1.00 12.44 H new ATOM 0 HG13 ILE A 81 0.477 -6.309 -8.659 1.00 12.44 H new ATOM 0 HG21 ILE A 81 -1.934 -6.401 -9.302 1.00 4.55 H new ATOM 0 HG22 ILE A 81 -2.713 -7.969 -9.625 1.00 4.55 H new ATOM 0 HG23 ILE A 81 -2.329 -7.494 -7.954 1.00 4.55 H new ATOM 0 HD11 ILE A 81 0.898 -6.746 -6.287 1.00 3.01 H new ATOM 0 HD12 ILE A 81 -0.846 -6.822 -6.635 1.00 3.01 H new ATOM 0 HD13 ILE A 81 0.084 -8.323 -6.420 1.00 3.01 H new ATOM 1234 N ALA A 82 -1.393 -10.558 -10.792 1.00 55.40 N ATOM 1235 CA ALA A 82 -2.309 -11.210 -11.719 1.00 0.31 C ATOM 1236 C ALA A 82 -2.080 -12.721 -11.783 1.00 72.25 C ATOM 1237 O ALA A 82 -2.651 -13.400 -12.635 1.00 55.02 O ATOM 1238 CB ALA A 82 -2.168 -10.594 -13.104 1.00 4.33 C ATOM 0 H ALA A 82 -0.487 -10.318 -11.194 1.00 55.40 H new ATOM 0 HA ALA A 82 -3.323 -11.052 -11.352 1.00 0.31 H new ATOM 0 HB1 ALA A 82 -2.855 -11.086 -13.793 1.00 4.33 H new ATOM 0 HB2 ALA A 82 -2.402 -9.531 -13.055 1.00 4.33 H new ATOM 0 HB3 ALA A 82 -1.145 -10.724 -13.458 1.00 4.33 H new ATOM 1244 N PHE A 83 -1.274 -13.244 -10.863 1.00 3.14 N ATOM 1245 CA PHE A 83 -0.862 -14.649 -10.897 1.00 71.22 C ATOM 1246 C PHE A 83 -2.065 -15.589 -10.901 1.00 50.23 C ATOM 1247 O PHE A 83 -2.158 -16.496 -11.727 1.00 3.53 O ATOM 1248 CB PHE A 83 0.036 -14.963 -9.696 1.00 45.31 C ATOM 1249 CG PHE A 83 0.672 -16.321 -9.750 1.00 54.33 C ATOM 1250 CD1 PHE A 83 1.887 -16.502 -10.388 1.00 24.01 C ATOM 1251 CD2 PHE A 83 0.055 -17.417 -9.167 1.00 52.42 C ATOM 1252 CE1 PHE A 83 2.476 -17.749 -10.444 1.00 44.01 C ATOM 1253 CE2 PHE A 83 0.639 -18.668 -9.221 1.00 63.31 C ATOM 1254 CZ PHE A 83 1.852 -18.834 -9.859 1.00 2.23 C ATOM 0 H PHE A 83 -0.890 -12.715 -10.080 1.00 3.14 H new ATOM 0 HA PHE A 83 -0.307 -14.808 -11.821 1.00 71.22 H new ATOM 0 HB2 PHE A 83 0.820 -14.208 -9.634 1.00 45.31 H new ATOM 0 HB3 PHE A 83 -0.555 -14.885 -8.783 1.00 45.31 H new ATOM 0 HD1 PHE A 83 2.380 -15.658 -10.847 1.00 24.01 H new ATOM 0 HD2 PHE A 83 -0.893 -17.292 -8.665 1.00 52.42 H new ATOM 0 HE1 PHE A 83 3.424 -17.877 -10.945 1.00 44.01 H new ATOM 0 HE2 PHE A 83 0.147 -19.515 -8.765 1.00 63.31 H new ATOM 0 HZ PHE A 83 2.312 -19.810 -9.901 1.00 2.23 H new ATOM 1264 N TRP A 84 -2.992 -15.354 -9.990 1.00 73.13 N ATOM 1265 CA TRP A 84 -4.163 -16.209 -9.856 1.00 23.31 C ATOM 1266 C TRP A 84 -5.065 -16.104 -11.085 1.00 5.50 C ATOM 1267 O TRP A 84 -5.759 -17.053 -11.445 1.00 11.12 O ATOM 1268 CB TRP A 84 -4.940 -15.832 -8.594 1.00 21.24 C ATOM 1269 CG TRP A 84 -4.083 -15.797 -7.363 1.00 61.15 C ATOM 1270 CD1 TRP A 84 -3.701 -16.859 -6.594 1.00 2.33 C ATOM 1271 CD2 TRP A 84 -3.501 -14.634 -6.756 1.00 72.44 C ATOM 1272 NE1 TRP A 84 -2.918 -16.429 -5.551 1.00 52.41 N ATOM 1273 CE2 TRP A 84 -2.784 -15.068 -5.627 1.00 30.31 C ATOM 1274 CE3 TRP A 84 -3.522 -13.267 -7.058 1.00 53.13 C ATOM 1275 CZ2 TRP A 84 -2.088 -14.187 -4.804 1.00 2.13 C ATOM 1276 CZ3 TRP A 84 -2.831 -12.395 -6.238 1.00 74.42 C ATOM 1277 CH2 TRP A 84 -2.125 -12.856 -5.120 1.00 21.10 C ATOM 0 H TRP A 84 -2.959 -14.577 -9.330 1.00 73.13 H new ATOM 0 HA TRP A 84 -3.826 -17.242 -9.775 1.00 23.31 H new ATOM 0 HB2 TRP A 84 -5.400 -14.854 -8.737 1.00 21.24 H new ATOM 0 HB3 TRP A 84 -5.749 -16.547 -8.446 1.00 21.24 H new ATOM 0 HD1 TRP A 84 -3.975 -17.887 -6.779 1.00 2.33 H new ATOM 0 HE1 TRP A 84 -2.503 -17.026 -4.836 1.00 52.41 H new ATOM 0 HE3 TRP A 84 -4.068 -12.901 -7.915 1.00 53.13 H new ATOM 0 HZ2 TRP A 84 -1.538 -14.542 -3.945 1.00 2.13 H new ATOM 0 HZ3 TRP A 84 -2.836 -11.339 -6.464 1.00 74.42 H new ATOM 0 HH2 TRP A 84 -1.600 -12.148 -4.496 1.00 21.10 H new ATOM 1288 N ALA A 85 -5.013 -14.954 -11.746 1.00 24.01 N ATOM 1289 CA ALA A 85 -5.882 -14.682 -12.886 1.00 51.30 C ATOM 1290 C ALA A 85 -5.286 -15.218 -14.187 1.00 71.53 C ATOM 1291 O ALA A 85 -5.992 -15.358 -15.188 1.00 75.13 O ATOM 1292 CB ALA A 85 -6.136 -13.189 -13.005 1.00 40.14 C ATOM 0 H ALA A 85 -4.376 -14.192 -11.512 1.00 24.01 H new ATOM 0 HA ALA A 85 -6.827 -15.197 -12.715 1.00 51.30 H new ATOM 0 HB1 ALA A 85 -6.786 -12.997 -13.859 1.00 40.14 H new ATOM 0 HB2 ALA A 85 -6.616 -12.828 -12.096 1.00 40.14 H new ATOM 0 HB3 ALA A 85 -5.189 -12.669 -13.146 1.00 40.14 H new ATOM 1298 N THR A 86 -3.987 -15.510 -14.181 1.00 61.34 N ATOM 1299 CA THR A 86 -3.322 -16.023 -15.376 1.00 51.23 C ATOM 1300 C THR A 86 -3.549 -17.525 -15.541 1.00 2.24 C ATOM 1301 O THR A 86 -3.072 -18.133 -16.499 1.00 62.44 O ATOM 1302 CB THR A 86 -1.806 -15.722 -15.380 1.00 3.43 C ATOM 1303 OG1 THR A 86 -1.197 -16.135 -14.147 1.00 24.22 O ATOM 1304 CG2 THR A 86 -1.546 -14.240 -15.602 1.00 2.12 C ATOM 0 H THR A 86 -3.379 -15.401 -13.369 1.00 61.34 H new ATOM 0 HA THR A 86 -3.772 -15.501 -16.221 1.00 51.23 H new ATOM 0 HB THR A 86 -1.363 -16.287 -16.201 1.00 3.43 H new ATOM 0 HG1 THR A 86 -1.882 -16.507 -13.553 1.00 24.22 H new ATOM 0 HG21 THR A 86 -0.472 -14.055 -15.600 1.00 2.12 H new ATOM 0 HG22 THR A 86 -1.965 -13.937 -16.561 1.00 2.12 H new ATOM 0 HG23 THR A 86 -2.014 -13.665 -14.803 1.00 2.12 H new ATOM 1312 N GLY A 87 -4.286 -18.117 -14.611 1.00 70.43 N ATOM 1313 CA GLY A 87 -4.631 -19.516 -14.732 1.00 35.42 C ATOM 1314 C GLY A 87 -3.880 -20.397 -13.755 1.00 61.04 C ATOM 1315 O GLY A 87 -2.782 -20.872 -14.048 1.00 62.00 O ATOM 0 H GLY A 87 -4.649 -17.654 -13.778 1.00 70.43 H new ATOM 0 HA2 GLY A 87 -5.702 -19.636 -14.571 1.00 35.42 H new ATOM 0 HA3 GLY A 87 -4.422 -19.850 -15.748 1.00 35.42 H new ATOM 1319 N GLU A 88 -4.472 -20.608 -12.586 1.00 10.13 N ATOM 1320 CA GLU A 88 -3.925 -21.538 -11.602 1.00 74.33 C ATOM 1321 C GLU A 88 -4.139 -22.974 -12.075 1.00 74.50 C ATOM 1322 O GLU A 88 -3.490 -23.909 -11.602 1.00 22.53 O ATOM 1323 CB GLU A 88 -4.591 -21.323 -10.242 1.00 23.33 C ATOM 1324 CG GLU A 88 -6.105 -21.450 -10.283 1.00 62.52 C ATOM 1325 CD GLU A 88 -6.742 -21.223 -8.931 1.00 53.44 C ATOM 1326 OE1 GLU A 88 -6.972 -20.052 -8.568 1.00 21.14 O ATOM 1327 OE2 GLU A 88 -7.020 -22.212 -8.225 1.00 4.31 O ATOM 0 H GLU A 88 -5.334 -20.147 -12.294 1.00 10.13 H new ATOM 0 HA GLU A 88 -2.856 -21.355 -11.496 1.00 74.33 H new ATOM 0 HB2 GLU A 88 -4.192 -22.048 -9.532 1.00 23.33 H new ATOM 0 HB3 GLU A 88 -4.327 -20.333 -9.869 1.00 23.33 H new ATOM 0 HG2 GLU A 88 -6.508 -20.731 -10.996 1.00 62.52 H new ATOM 0 HG3 GLU A 88 -6.373 -22.442 -10.645 1.00 62.52 H new ATOM 1334 N TRP A 89 -5.058 -23.124 -13.016 1.00 73.34 N ATOM 1335 CA TRP A 89 -5.352 -24.401 -13.633 1.00 74.25 C ATOM 1336 C TRP A 89 -5.723 -24.151 -15.090 1.00 1.32 C ATOM 1337 O TRP A 89 -6.155 -23.048 -15.429 1.00 63.12 O ATOM 1338 CB TRP A 89 -6.505 -25.094 -12.892 1.00 63.11 C ATOM 1339 CG TRP A 89 -6.677 -26.538 -13.257 1.00 60.32 C ATOM 1340 CD1 TRP A 89 -7.512 -27.055 -14.205 1.00 12.54 C ATOM 1341 CD2 TRP A 89 -6.000 -27.652 -12.669 1.00 14.11 C ATOM 1342 NE1 TRP A 89 -7.391 -28.422 -14.242 1.00 20.34 N ATOM 1343 CE2 TRP A 89 -6.469 -28.814 -13.309 1.00 34.22 C ATOM 1344 CE3 TRP A 89 -5.040 -27.778 -11.661 1.00 1.24 C ATOM 1345 CZ2 TRP A 89 -6.011 -30.084 -12.973 1.00 34.45 C ATOM 1346 CZ3 TRP A 89 -4.586 -29.039 -11.331 1.00 62.23 C ATOM 1347 CH2 TRP A 89 -5.071 -30.178 -11.985 1.00 41.44 C ATOM 0 H TRP A 89 -5.624 -22.354 -13.374 1.00 73.34 H new ATOM 0 HA TRP A 89 -4.482 -25.055 -13.581 1.00 74.25 H new ATOM 0 HB2 TRP A 89 -6.332 -25.018 -11.818 1.00 63.11 H new ATOM 0 HB3 TRP A 89 -7.433 -24.562 -13.104 1.00 63.11 H new ATOM 0 HD1 TRP A 89 -8.171 -26.474 -14.833 1.00 12.54 H new ATOM 0 HE1 TRP A 89 -7.905 -29.045 -14.864 1.00 20.34 H new ATOM 0 HE3 TRP A 89 -4.661 -26.905 -11.150 1.00 1.24 H new ATOM 0 HZ2 TRP A 89 -6.385 -30.964 -13.475 1.00 34.45 H new ATOM 0 HZ3 TRP A 89 -3.843 -29.149 -10.555 1.00 62.23 H new ATOM 0 HH2 TRP A 89 -4.695 -31.150 -11.703 1.00 41.44 H new ATOM 1358 N LYS A 90 -5.538 -25.145 -15.951 1.00 61.12 N ATOM 1359 CA LYS A 90 -5.865 -24.979 -17.361 1.00 3.33 C ATOM 1360 C LYS A 90 -7.367 -24.849 -17.552 1.00 14.31 C ATOM 1361 O LYS A 90 -8.128 -25.798 -17.336 1.00 74.43 O ATOM 1362 CB LYS A 90 -5.327 -26.132 -18.215 1.00 42.53 C ATOM 1363 CG LYS A 90 -3.811 -26.167 -18.327 1.00 13.43 C ATOM 1364 CD LYS A 90 -3.167 -26.956 -17.198 1.00 5.53 C ATOM 1365 CE LYS A 90 -3.591 -28.415 -17.237 1.00 50.11 C ATOM 1366 NZ LYS A 90 -2.726 -29.264 -16.383 1.00 70.11 N ATOM 0 H LYS A 90 -5.168 -26.062 -15.702 1.00 61.12 H new ATOM 0 HA LYS A 90 -5.380 -24.062 -17.696 1.00 3.33 H new ATOM 0 HB2 LYS A 90 -5.671 -27.075 -17.791 1.00 42.53 H new ATOM 0 HB3 LYS A 90 -5.753 -26.058 -19.216 1.00 42.53 H new ATOM 0 HG2 LYS A 90 -3.530 -26.609 -19.283 1.00 13.43 H new ATOM 0 HG3 LYS A 90 -3.425 -25.148 -18.321 1.00 13.43 H new ATOM 0 HD2 LYS A 90 -2.082 -26.888 -17.276 1.00 5.53 H new ATOM 0 HD3 LYS A 90 -3.446 -26.519 -16.239 1.00 5.53 H new ATOM 0 HE2 LYS A 90 -4.626 -28.502 -16.906 1.00 50.11 H new ATOM 0 HE3 LYS A 90 -3.554 -28.777 -18.265 1.00 50.11 H new ATOM 0 HZ1 LYS A 90 -3.047 -30.252 -16.437 1.00 70.11 H new ATOM 0 HZ2 LYS A 90 -1.742 -29.202 -16.715 1.00 70.11 H new ATOM 0 HZ3 LYS A 90 -2.781 -28.935 -15.398 1.00 70.11 H new ATOM 1380 N ALA A 91 -7.780 -23.664 -17.962 1.00 71.43 N ATOM 1381 CA ALA A 91 -9.183 -23.356 -18.153 1.00 12.40 C ATOM 1382 C ALA A 91 -9.586 -23.569 -19.603 1.00 41.50 C ATOM 1383 O ALA A 91 -9.302 -22.740 -20.466 1.00 22.45 O ATOM 1384 CB ALA A 91 -9.465 -21.924 -17.728 1.00 45.51 C ATOM 0 H ALA A 91 -7.151 -22.889 -18.172 1.00 71.43 H new ATOM 0 HA ALA A 91 -9.775 -24.030 -17.533 1.00 12.40 H new ATOM 0 HB1 ALA A 91 -10.522 -21.702 -17.875 1.00 45.51 H new ATOM 0 HB2 ALA A 91 -9.212 -21.800 -16.675 1.00 45.51 H new ATOM 0 HB3 ALA A 91 -8.864 -21.241 -18.328 1.00 45.51 H new ATOM 1390 N LYS A 92 -10.226 -24.695 -19.875 1.00 31.43 N ATOM 1391 CA LYS A 92 -10.673 -25.009 -21.225 1.00 14.53 C ATOM 1392 C LYS A 92 -12.076 -25.610 -21.213 1.00 14.12 C ATOM 1393 O LYS A 92 -12.405 -26.486 -22.015 1.00 50.04 O ATOM 1394 CB LYS A 92 -9.678 -25.953 -21.906 1.00 20.34 C ATOM 1395 CG LYS A 92 -9.313 -27.180 -21.085 1.00 31.10 C ATOM 1396 CD LYS A 92 -8.310 -28.051 -21.822 1.00 2.02 C ATOM 1397 CE LYS A 92 -7.875 -29.247 -20.990 1.00 60.11 C ATOM 1398 NZ LYS A 92 -9.017 -30.128 -20.635 1.00 24.00 N ATOM 0 H LYS A 92 -10.448 -25.407 -19.180 1.00 31.43 H new ATOM 0 HA LYS A 92 -10.717 -24.082 -21.797 1.00 14.53 H new ATOM 0 HB2 LYS A 92 -10.098 -26.279 -22.857 1.00 20.34 H new ATOM 0 HB3 LYS A 92 -8.767 -25.399 -22.133 1.00 20.34 H new ATOM 0 HG2 LYS A 92 -8.896 -26.870 -20.127 1.00 31.10 H new ATOM 0 HG3 LYS A 92 -10.212 -27.758 -20.869 1.00 31.10 H new ATOM 0 HD2 LYS A 92 -8.750 -28.400 -22.756 1.00 2.02 H new ATOM 0 HD3 LYS A 92 -7.436 -27.455 -22.085 1.00 2.02 H new ATOM 0 HE2 LYS A 92 -7.133 -29.822 -21.544 1.00 60.11 H new ATOM 0 HE3 LYS A 92 -7.391 -28.897 -20.078 1.00 60.11 H new ATOM 0 HZ1 LYS A 92 -8.659 -31.003 -20.202 1.00 24.00 H new ATOM 0 HZ2 LYS A 92 -9.638 -29.637 -19.960 1.00 24.00 H new ATOM 0 HZ3 LYS A 92 -9.555 -30.361 -21.494 1.00 24.00 H new ATOM 1412 N ASN A 93 -12.909 -25.109 -20.313 1.00 54.44 N ATOM 1413 CA ASN A 93 -14.293 -25.556 -20.211 1.00 21.22 C ATOM 1414 C ASN A 93 -15.229 -24.416 -20.591 1.00 41.40 C ATOM 1415 O ASN A 93 -15.757 -24.380 -21.701 1.00 20.51 O ATOM 1416 CB ASN A 93 -14.612 -26.048 -18.793 1.00 40.22 C ATOM 1417 CG ASN A 93 -13.776 -27.244 -18.375 1.00 32.42 C ATOM 1418 OD1 ASN A 93 -12.691 -27.089 -17.811 1.00 43.14 O ATOM 1419 ND2 ASN A 93 -14.271 -28.439 -18.648 1.00 32.24 N ATOM 0 H ASN A 93 -12.650 -24.389 -19.639 1.00 54.44 H new ATOM 0 HA ASN A 93 -14.437 -26.390 -20.898 1.00 21.22 H new ATOM 0 HB2 ASN A 93 -14.449 -25.234 -18.087 1.00 40.22 H new ATOM 0 HB3 ASN A 93 -15.668 -26.313 -18.736 1.00 40.22 H new ATOM 0 HD21 ASN A 93 -13.751 -29.278 -18.390 1.00 32.24 H new ATOM 0 HD22 ASN A 93 -15.173 -28.522 -19.116 1.00 32.24 H new ATOM 1426 N GLU A 94 -15.408 -23.477 -19.663 1.00 12.30 N ATOM 1427 CA GLU A 94 -16.213 -22.280 -19.901 1.00 42.15 C ATOM 1428 C GLU A 94 -16.199 -21.381 -18.667 1.00 31.01 C ATOM 1429 O GLU A 94 -15.562 -20.328 -18.659 1.00 50.40 O ATOM 1430 CB GLU A 94 -17.659 -22.642 -20.261 1.00 40.35 C ATOM 1431 CG GLU A 94 -18.497 -21.439 -20.655 1.00 33.35 C ATOM 1432 CD GLU A 94 -19.908 -21.812 -21.050 1.00 35.14 C ATOM 1433 OE1 GLU A 94 -20.119 -22.193 -22.218 1.00 51.15 O ATOM 1434 OE2 GLU A 94 -20.814 -21.721 -20.196 1.00 44.10 O ATOM 0 H GLU A 94 -15.001 -23.524 -18.729 1.00 12.30 H new ATOM 0 HA GLU A 94 -15.774 -21.746 -20.744 1.00 42.15 H new ATOM 0 HB2 GLU A 94 -17.653 -23.358 -21.083 1.00 40.35 H new ATOM 0 HB3 GLU A 94 -18.125 -23.138 -19.410 1.00 40.35 H new ATOM 0 HG2 GLU A 94 -18.531 -20.737 -19.822 1.00 33.35 H new ATOM 0 HG3 GLU A 94 -18.016 -20.923 -21.486 1.00 33.35 H new ATOM 1441 N PHE A 95 -16.878 -21.829 -17.614 1.00 2.55 N ATOM 1442 CA PHE A 95 -17.022 -21.053 -16.379 1.00 53.43 C ATOM 1443 C PHE A 95 -15.671 -20.655 -15.793 1.00 20.54 C ATOM 1444 O PHE A 95 -15.502 -19.543 -15.301 1.00 23.34 O ATOM 1445 CB PHE A 95 -17.832 -21.852 -15.347 1.00 12.13 C ATOM 1446 CG PHE A 95 -17.240 -23.195 -14.989 1.00 4.10 C ATOM 1447 CD1 PHE A 95 -17.434 -24.295 -15.811 1.00 75.53 C ATOM 1448 CD2 PHE A 95 -16.489 -23.354 -13.834 1.00 21.33 C ATOM 1449 CE1 PHE A 95 -16.893 -25.524 -15.489 1.00 23.03 C ATOM 1450 CE2 PHE A 95 -15.944 -24.582 -13.508 1.00 0.00 C ATOM 1451 CZ PHE A 95 -16.145 -25.667 -14.336 1.00 40.34 C ATOM 0 H PHE A 95 -17.343 -22.736 -17.590 1.00 2.55 H new ATOM 0 HA PHE A 95 -17.554 -20.134 -16.627 1.00 53.43 H new ATOM 0 HB2 PHE A 95 -17.926 -21.257 -14.439 1.00 12.13 H new ATOM 0 HB3 PHE A 95 -18.839 -22.005 -15.734 1.00 12.13 H new ATOM 0 HD1 PHE A 95 -18.016 -24.189 -16.715 1.00 75.53 H new ATOM 0 HD2 PHE A 95 -16.328 -22.509 -13.182 1.00 21.33 H new ATOM 0 HE1 PHE A 95 -17.054 -26.372 -16.138 1.00 23.03 H new ATOM 0 HE2 PHE A 95 -15.361 -24.692 -12.605 1.00 0.00 H new ATOM 0 HZ PHE A 95 -15.718 -26.627 -14.083 1.00 40.34 H new ATOM 1461 N THR A 96 -14.711 -21.563 -15.864 1.00 53.22 N ATOM 1462 CA THR A 96 -13.394 -21.323 -15.294 1.00 55.13 C ATOM 1463 C THR A 96 -12.679 -20.159 -15.995 1.00 61.22 C ATOM 1464 O THR A 96 -12.084 -19.310 -15.331 1.00 12.05 O ATOM 1465 CB THR A 96 -12.527 -22.605 -15.328 1.00 1.54 C ATOM 1466 OG1 THR A 96 -11.175 -22.315 -14.959 1.00 20.55 O ATOM 1467 CG2 THR A 96 -12.556 -23.258 -16.702 1.00 31.12 C ATOM 0 H THR A 96 -14.819 -22.474 -16.311 1.00 53.22 H new ATOM 0 HA THR A 96 -13.539 -21.041 -14.251 1.00 55.13 H new ATOM 0 HB THR A 96 -12.951 -23.302 -14.605 1.00 1.54 H new ATOM 0 HG1 THR A 96 -10.645 -23.139 -14.986 1.00 20.55 H new ATOM 0 HG21 THR A 96 -11.937 -24.155 -16.692 1.00 31.12 H new ATOM 0 HG22 THR A 96 -13.581 -23.527 -16.955 1.00 31.12 H new ATOM 0 HG23 THR A 96 -12.170 -22.560 -17.445 1.00 31.12 H new ATOM 1475 N GLN A 97 -12.761 -20.098 -17.327 1.00 2.12 N ATOM 1476 CA GLN A 97 -12.161 -18.999 -18.071 1.00 4.55 C ATOM 1477 C GLN A 97 -12.900 -17.700 -17.798 1.00 75.25 C ATOM 1478 O GLN A 97 -12.282 -16.655 -17.593 1.00 60.41 O ATOM 1479 CB GLN A 97 -12.165 -19.289 -19.571 1.00 31.14 C ATOM 1480 CG GLN A 97 -10.800 -19.669 -20.119 1.00 32.13 C ATOM 1481 CD GLN A 97 -9.779 -18.557 -19.969 1.00 34.53 C ATOM 1482 OE1 GLN A 97 -9.633 -17.710 -20.850 1.00 32.12 O ATOM 1483 NE2 GLN A 97 -9.060 -18.553 -18.856 1.00 3.01 N ATOM 0 H GLN A 97 -13.234 -20.793 -17.904 1.00 2.12 H new ATOM 0 HA GLN A 97 -11.128 -18.897 -17.737 1.00 4.55 H new ATOM 0 HB2 GLN A 97 -12.867 -20.097 -19.775 1.00 31.14 H new ATOM 0 HB3 GLN A 97 -12.529 -18.409 -20.102 1.00 31.14 H new ATOM 0 HG2 GLN A 97 -10.440 -20.559 -19.602 1.00 32.13 H new ATOM 0 HG3 GLN A 97 -10.896 -19.929 -21.173 1.00 32.13 H new ATOM 0 HE21 GLN A 97 -9.211 -19.273 -18.149 1.00 3.01 H new ATOM 0 HE22 GLN A 97 -8.356 -17.830 -18.706 1.00 3.01 H new ATOM 1492 N ALA A 98 -14.225 -17.780 -17.787 1.00 33.33 N ATOM 1493 CA ALA A 98 -15.057 -16.619 -17.516 1.00 41.43 C ATOM 1494 C ALA A 98 -14.732 -16.030 -16.149 1.00 45.15 C ATOM 1495 O ALA A 98 -14.545 -14.820 -16.014 1.00 31.13 O ATOM 1496 CB ALA A 98 -16.528 -16.991 -17.601 1.00 2.53 C ATOM 0 H ALA A 98 -14.745 -18.639 -17.963 1.00 33.33 H new ATOM 0 HA ALA A 98 -14.847 -15.862 -18.271 1.00 41.43 H new ATOM 0 HB1 ALA A 98 -17.138 -16.111 -17.396 1.00 2.53 H new ATOM 0 HB2 ALA A 98 -16.752 -17.363 -18.601 1.00 2.53 H new ATOM 0 HB3 ALA A 98 -16.750 -17.766 -16.867 1.00 2.53 H new ATOM 1502 N TYR A 99 -14.643 -16.894 -15.141 1.00 61.32 N ATOM 1503 CA TYR A 99 -14.341 -16.459 -13.785 1.00 21.34 C ATOM 1504 C TYR A 99 -12.907 -15.935 -13.688 1.00 33.15 C ATOM 1505 O TYR A 99 -12.636 -14.987 -12.954 1.00 62.31 O ATOM 1506 CB TYR A 99 -14.553 -17.602 -12.787 1.00 44.52 C ATOM 1507 CG TYR A 99 -14.371 -17.177 -11.346 1.00 10.22 C ATOM 1508 CD1 TYR A 99 -15.380 -16.502 -10.669 1.00 51.44 C ATOM 1509 CD2 TYR A 99 -13.187 -17.435 -10.668 1.00 55.42 C ATOM 1510 CE1 TYR A 99 -15.213 -16.099 -9.358 1.00 32.41 C ATOM 1511 CE2 TYR A 99 -13.012 -17.032 -9.359 1.00 55.45 C ATOM 1512 CZ TYR A 99 -14.026 -16.366 -8.709 1.00 32.21 C ATOM 1513 OH TYR A 99 -13.849 -15.961 -7.406 1.00 41.40 O ATOM 0 H TYR A 99 -14.776 -17.900 -15.241 1.00 61.32 H new ATOM 0 HA TYR A 99 -15.024 -15.648 -13.535 1.00 21.34 H new ATOM 0 HB2 TYR A 99 -15.557 -18.006 -12.916 1.00 44.52 H new ATOM 0 HB3 TYR A 99 -13.854 -18.407 -13.013 1.00 44.52 H new ATOM 0 HD1 TYR A 99 -16.310 -16.289 -11.176 1.00 51.44 H new ATOM 0 HD2 TYR A 99 -12.390 -17.960 -11.173 1.00 55.42 H new ATOM 0 HE1 TYR A 99 -16.008 -15.578 -8.845 1.00 32.41 H new ATOM 0 HE2 TYR A 99 -12.084 -17.238 -8.847 1.00 55.45 H new ATOM 0 HH TYR A 99 -12.958 -16.229 -7.098 1.00 41.40 H new ATOM 1523 N ALA A 100 -11.993 -16.551 -14.431 1.00 2.22 N ATOM 1524 CA ALA A 100 -10.600 -16.115 -14.443 1.00 12.05 C ATOM 1525 C ALA A 100 -10.485 -14.703 -15.007 1.00 44.32 C ATOM 1526 O ALA A 100 -9.772 -13.855 -14.467 1.00 51.41 O ATOM 1527 CB ALA A 100 -9.743 -17.082 -15.247 1.00 43.23 C ATOM 0 H ALA A 100 -12.191 -17.352 -15.031 1.00 2.22 H new ATOM 0 HA ALA A 100 -10.236 -16.106 -13.416 1.00 12.05 H new ATOM 0 HB1 ALA A 100 -8.708 -16.740 -15.244 1.00 43.23 H new ATOM 0 HB2 ALA A 100 -9.798 -18.075 -14.800 1.00 43.23 H new ATOM 0 HB3 ALA A 100 -10.108 -17.125 -16.273 1.00 43.23 H new ATOM 1533 N LYS A 101 -11.215 -14.457 -16.084 1.00 52.13 N ATOM 1534 CA LYS A 101 -11.234 -13.149 -16.720 1.00 13.11 C ATOM 1535 C LYS A 101 -11.913 -12.130 -15.801 1.00 12.22 C ATOM 1536 O LYS A 101 -11.546 -10.951 -15.776 1.00 64.32 O ATOM 1537 CB LYS A 101 -11.958 -13.241 -18.064 1.00 51.42 C ATOM 1538 CG LYS A 101 -11.773 -12.024 -18.955 1.00 42.44 C ATOM 1539 CD LYS A 101 -12.354 -12.269 -20.336 1.00 31.52 C ATOM 1540 CE LYS A 101 -12.153 -11.074 -21.251 1.00 44.13 C ATOM 1541 NZ LYS A 101 -12.708 -11.323 -22.607 1.00 73.41 N ATOM 0 H LYS A 101 -11.807 -15.152 -16.539 1.00 52.13 H new ATOM 0 HA LYS A 101 -10.212 -12.817 -16.900 1.00 13.11 H new ATOM 0 HB2 LYS A 101 -11.603 -14.124 -18.596 1.00 51.42 H new ATOM 0 HB3 LYS A 101 -13.023 -13.385 -17.881 1.00 51.42 H new ATOM 0 HG2 LYS A 101 -12.257 -11.159 -18.501 1.00 42.44 H new ATOM 0 HG3 LYS A 101 -10.712 -11.788 -19.039 1.00 42.44 H new ATOM 0 HD2 LYS A 101 -11.884 -13.148 -20.777 1.00 31.52 H new ATOM 0 HD3 LYS A 101 -13.419 -12.486 -20.249 1.00 31.52 H new ATOM 0 HE2 LYS A 101 -12.633 -10.197 -20.816 1.00 44.13 H new ATOM 0 HE3 LYS A 101 -11.089 -10.849 -21.328 1.00 44.13 H new ATOM 0 HZ1 LYS A 101 -12.553 -10.486 -23.205 1.00 73.41 H new ATOM 0 HZ2 LYS A 101 -12.232 -12.145 -23.031 1.00 73.41 H new ATOM 0 HZ3 LYS A 101 -13.728 -11.513 -22.535 1.00 73.41 H new ATOM 1555 N LEU A 102 -12.892 -12.604 -15.031 1.00 52.13 N ATOM 1556 CA LEU A 102 -13.547 -11.778 -14.021 1.00 21.43 C ATOM 1557 C LEU A 102 -12.575 -11.447 -12.898 1.00 70.54 C ATOM 1558 O LEU A 102 -12.528 -10.318 -12.418 1.00 73.43 O ATOM 1559 CB LEU A 102 -14.773 -12.494 -13.440 1.00 32.00 C ATOM 1560 CG LEU A 102 -15.952 -12.662 -14.397 1.00 40.34 C ATOM 1561 CD1 LEU A 102 -17.041 -13.505 -13.753 1.00 74.11 C ATOM 1562 CD2 LEU A 102 -16.502 -11.306 -14.809 1.00 40.10 C ATOM 0 H LEU A 102 -13.249 -13.558 -15.089 1.00 52.13 H new ATOM 0 HA LEU A 102 -13.873 -10.856 -14.502 1.00 21.43 H new ATOM 0 HB2 LEU A 102 -14.465 -13.481 -13.094 1.00 32.00 H new ATOM 0 HB3 LEU A 102 -15.114 -11.941 -12.565 1.00 32.00 H new ATOM 0 HG LEU A 102 -15.600 -13.176 -15.292 1.00 40.34 H new ATOM 0 HD11 LEU A 102 -17.874 -13.615 -14.447 1.00 74.11 H new ATOM 0 HD12 LEU A 102 -16.641 -14.489 -13.506 1.00 74.11 H new ATOM 0 HD13 LEU A 102 -17.389 -13.016 -12.843 1.00 74.11 H new ATOM 0 HD21 LEU A 102 -17.341 -11.446 -15.491 1.00 40.10 H new ATOM 0 HD22 LEU A 102 -16.839 -10.766 -13.924 1.00 40.10 H new ATOM 0 HD23 LEU A 102 -15.721 -10.733 -15.308 1.00 40.10 H new ATOM 1574 N MET A 103 -11.790 -12.442 -12.492 1.00 60.02 N ATOM 1575 CA MET A 103 -10.802 -12.265 -11.435 1.00 24.41 C ATOM 1576 C MET A 103 -9.776 -11.219 -11.849 1.00 50.43 C ATOM 1577 O MET A 103 -9.319 -10.414 -11.035 1.00 33.04 O ATOM 1578 CB MET A 103 -10.101 -13.594 -11.140 1.00 41.44 C ATOM 1579 CG MET A 103 -9.158 -13.541 -9.949 1.00 72.12 C ATOM 1580 SD MET A 103 -8.187 -15.050 -9.766 1.00 51.10 S ATOM 1581 CE MET A 103 -9.482 -16.286 -9.718 1.00 63.24 C ATOM 0 H MET A 103 -11.821 -13.384 -12.883 1.00 60.02 H new ATOM 0 HA MET A 103 -11.311 -11.926 -10.533 1.00 24.41 H new ATOM 0 HB2 MET A 103 -10.856 -14.360 -10.960 1.00 41.44 H new ATOM 0 HB3 MET A 103 -9.540 -13.901 -12.022 1.00 41.44 H new ATOM 0 HG2 MET A 103 -8.485 -12.691 -10.061 1.00 72.12 H new ATOM 0 HG3 MET A 103 -9.736 -13.372 -9.040 1.00 72.12 H new ATOM 0 HE1 MET A 103 -9.083 -17.216 -9.313 1.00 63.24 H new ATOM 0 HE2 MET A 103 -10.297 -15.935 -9.085 1.00 63.24 H new ATOM 0 HE3 MET A 103 -9.856 -16.461 -10.727 1.00 63.24 H new ATOM 1591 N ASN A 104 -9.435 -11.237 -13.132 1.00 1.23 N ATOM 1592 CA ASN A 104 -8.481 -10.295 -13.707 1.00 34.31 C ATOM 1593 C ASN A 104 -9.028 -8.871 -13.672 1.00 70.23 C ATOM 1594 O ASN A 104 -8.274 -7.908 -13.532 1.00 51.11 O ATOM 1595 CB ASN A 104 -8.176 -10.696 -15.147 1.00 41.15 C ATOM 1596 CG ASN A 104 -7.056 -9.882 -15.762 1.00 3.24 C ATOM 1597 OD1 ASN A 104 -6.125 -9.455 -15.074 1.00 12.34 O ATOM 1598 ND2 ASN A 104 -7.143 -9.656 -17.062 1.00 65.42 N ATOM 0 H ASN A 104 -9.812 -11.905 -13.804 1.00 1.23 H new ATOM 0 HA ASN A 104 -7.567 -10.323 -13.114 1.00 34.31 H new ATOM 0 HB2 ASN A 104 -7.908 -11.752 -15.176 1.00 41.15 H new ATOM 0 HB3 ASN A 104 -9.077 -10.579 -15.750 1.00 41.15 H new ATOM 0 HD21 ASN A 104 -6.423 -9.110 -17.534 1.00 65.42 H new ATOM 0 HD22 ASN A 104 -7.930 -10.028 -17.593 1.00 65.42 H new ATOM 1605 N GLN A 105 -10.344 -8.751 -13.796 1.00 2.44 N ATOM 1606 CA GLN A 105 -11.009 -7.451 -13.770 1.00 42.33 C ATOM 1607 C GLN A 105 -10.692 -6.697 -12.481 1.00 24.14 C ATOM 1608 O GLN A 105 -10.365 -5.514 -12.513 1.00 31.43 O ATOM 1609 CB GLN A 105 -12.525 -7.623 -13.908 1.00 51.01 C ATOM 1610 CG GLN A 105 -13.132 -6.940 -15.130 1.00 11.13 C ATOM 1611 CD GLN A 105 -13.358 -5.441 -14.956 1.00 34.40 C ATOM 1612 OE1 GLN A 105 -14.309 -4.886 -15.502 1.00 43.24 O ATOM 1613 NE2 GLN A 105 -12.490 -4.769 -14.214 1.00 11.42 N ATOM 0 H GLN A 105 -10.976 -9.542 -13.916 1.00 2.44 H new ATOM 0 HA GLN A 105 -10.635 -6.869 -14.613 1.00 42.33 H new ATOM 0 HB2 GLN A 105 -12.754 -8.688 -13.952 1.00 51.01 H new ATOM 0 HB3 GLN A 105 -13.005 -7.230 -13.012 1.00 51.01 H new ATOM 0 HG2 GLN A 105 -12.477 -7.101 -15.986 1.00 11.13 H new ATOM 0 HG3 GLN A 105 -14.084 -7.416 -15.363 1.00 11.13 H new ATOM 0 HE21 GLN A 105 -11.710 -5.257 -13.773 1.00 11.42 H new ATOM 0 HE22 GLN A 105 -12.601 -3.764 -14.084 1.00 11.42 H new ATOM 1622 N TYR A 106 -10.778 -7.386 -11.352 1.00 33.24 N ATOM 1623 CA TYR A 106 -10.542 -6.749 -10.063 1.00 63.44 C ATOM 1624 C TYR A 106 -9.144 -7.057 -9.529 1.00 54.43 C ATOM 1625 O TYR A 106 -8.898 -6.969 -8.325 1.00 40.35 O ATOM 1626 CB TYR A 106 -11.614 -7.166 -9.045 1.00 31.42 C ATOM 1627 CG TYR A 106 -11.742 -8.661 -8.815 1.00 53.25 C ATOM 1628 CD1 TYR A 106 -10.845 -9.344 -8.001 1.00 20.14 C ATOM 1629 CD2 TYR A 106 -12.776 -9.385 -9.398 1.00 20.12 C ATOM 1630 CE1 TYR A 106 -10.971 -10.700 -7.778 1.00 63.23 C ATOM 1631 CE2 TYR A 106 -12.907 -10.744 -9.180 1.00 4.31 C ATOM 1632 CZ TYR A 106 -12.003 -11.396 -8.369 1.00 42.51 C ATOM 1633 OH TYR A 106 -12.127 -12.749 -8.150 1.00 61.50 O ATOM 0 H TYR A 106 -11.008 -8.379 -11.301 1.00 33.24 H new ATOM 0 HA TYR A 106 -10.607 -5.671 -10.214 1.00 63.44 H new ATOM 0 HB2 TYR A 106 -11.393 -6.686 -8.092 1.00 31.42 H new ATOM 0 HB3 TYR A 106 -12.578 -6.782 -9.379 1.00 31.42 H new ATOM 0 HD1 TYR A 106 -10.035 -8.803 -7.535 1.00 20.14 H new ATOM 0 HD2 TYR A 106 -13.488 -8.878 -10.031 1.00 20.12 H new ATOM 0 HE1 TYR A 106 -10.264 -11.213 -7.143 1.00 63.23 H new ATOM 0 HE2 TYR A 106 -13.714 -11.292 -9.643 1.00 4.31 H new ATOM 0 HH TYR A 106 -12.906 -13.089 -8.637 1.00 61.50 H new ATOM 1643 N ARG A 107 -8.220 -7.392 -10.420 1.00 63.34 N ATOM 1644 CA ARG A 107 -6.859 -7.683 -10.006 1.00 73.42 C ATOM 1645 C ARG A 107 -6.142 -6.423 -9.549 1.00 34.23 C ATOM 1646 O ARG A 107 -5.927 -5.498 -10.332 1.00 4.53 O ATOM 1647 CB ARG A 107 -6.058 -8.347 -11.128 1.00 4.21 C ATOM 1648 CG ARG A 107 -6.300 -9.843 -11.279 1.00 12.12 C ATOM 1649 CD ARG A 107 -5.952 -10.613 -10.010 1.00 71.05 C ATOM 1650 NE ARG A 107 -6.954 -10.438 -8.958 1.00 31.30 N ATOM 1651 CZ ARG A 107 -6.671 -10.407 -7.654 1.00 33.42 C ATOM 1652 NH1 ARG A 107 -5.413 -10.496 -7.237 1.00 3.31 N ATOM 1653 NH2 ARG A 107 -7.644 -10.273 -6.766 1.00 41.32 N ATOM 0 H ARG A 107 -8.388 -7.468 -11.423 1.00 63.34 H new ATOM 0 HA ARG A 107 -6.927 -8.378 -9.169 1.00 73.42 H new ATOM 0 HB2 ARG A 107 -6.301 -7.856 -12.070 1.00 4.21 H new ATOM 0 HB3 ARG A 107 -4.996 -8.180 -10.946 1.00 4.21 H new ATOM 0 HG2 ARG A 107 -7.346 -10.017 -11.532 1.00 12.12 H new ATOM 0 HG3 ARG A 107 -5.704 -10.224 -12.108 1.00 12.12 H new ATOM 0 HD2 ARG A 107 -5.858 -11.673 -10.246 1.00 71.05 H new ATOM 0 HD3 ARG A 107 -4.981 -10.281 -9.642 1.00 71.05 H new ATOM 0 HE ARG A 107 -7.929 -10.333 -9.239 1.00 31.30 H new ATOM 0 HH11 ARG A 107 -4.656 -10.589 -7.915 1.00 3.31 H new ATOM 0 HH12 ARG A 107 -5.204 -10.472 -6.239 1.00 3.31 H new ATOM 0 HH21 ARG A 107 -8.612 -10.193 -7.078 1.00 41.32 H new ATOM 0 HH22 ARG A 107 -7.426 -10.250 -5.770 1.00 41.32 H new ATOM 1667 N GLY A 108 -5.791 -6.406 -8.269 1.00 13.32 N ATOM 1668 CA GLY A 108 -4.970 -5.349 -7.721 1.00 32.32 C ATOM 1669 C GLY A 108 -5.632 -3.988 -7.752 1.00 15.44 C ATOM 1670 O GLY A 108 -5.412 -3.210 -8.674 1.00 70.11 O ATOM 0 H GLY A 108 -6.067 -7.119 -7.593 1.00 13.32 H new ATOM 0 HA2 GLY A 108 -4.715 -5.596 -6.690 1.00 32.32 H new ATOM 0 HA3 GLY A 108 -4.034 -5.301 -8.278 1.00 32.32 H new ATOM 1674 N ILE A 109 -6.449 -3.696 -6.747 1.00 22.01 N ATOM 1675 CA ILE A 109 -6.962 -2.343 -6.573 1.00 64.55 C ATOM 1676 C ILE A 109 -5.784 -1.451 -6.214 1.00 75.15 C ATOM 1677 O ILE A 109 -5.687 -0.296 -6.636 1.00 41.45 O ATOM 1678 CB ILE A 109 -8.048 -2.244 -5.468 1.00 5.31 C ATOM 1679 CG1 ILE A 109 -9.251 -3.138 -5.793 1.00 34.22 C ATOM 1680 CG2 ILE A 109 -8.509 -0.800 -5.299 1.00 34.51 C ATOM 1681 CD1 ILE A 109 -9.033 -4.609 -5.502 1.00 41.12 C ATOM 0 H ILE A 109 -6.767 -4.368 -6.049 1.00 22.01 H new ATOM 0 HA ILE A 109 -7.441 -2.031 -7.501 1.00 64.55 H new ATOM 0 HB ILE A 109 -7.603 -2.589 -4.534 1.00 5.31 H new ATOM 0 HG12 ILE A 109 -10.112 -2.790 -5.221 1.00 34.22 H new ATOM 0 HG13 ILE A 109 -9.501 -3.022 -6.848 1.00 34.22 H new ATOM 0 HG21 ILE A 109 -9.270 -0.750 -4.520 1.00 34.51 H new ATOM 0 HG22 ILE A 109 -7.660 -0.178 -5.017 1.00 34.51 H new ATOM 0 HG23 ILE A 109 -8.927 -0.439 -6.239 1.00 34.51 H new ATOM 0 HD11 ILE A 109 -9.932 -5.168 -5.760 1.00 41.12 H new ATOM 0 HD12 ILE A 109 -8.195 -4.977 -6.094 1.00 41.12 H new ATOM 0 HD13 ILE A 109 -8.815 -4.742 -4.442 1.00 41.12 H new ATOM 1693 N TYR A 110 -4.884 -2.033 -5.434 1.00 75.35 N ATOM 1694 CA TYR A 110 -3.588 -1.447 -5.153 1.00 52.23 C ATOM 1695 C TYR A 110 -2.516 -2.510 -5.365 1.00 71.03 C ATOM 1696 O TYR A 110 -2.754 -3.698 -5.124 1.00 14.23 O ATOM 1697 CB TYR A 110 -3.526 -0.892 -3.720 1.00 43.03 C ATOM 1698 CG TYR A 110 -3.838 -1.907 -2.640 1.00 51.11 C ATOM 1699 CD1 TYR A 110 -2.837 -2.701 -2.092 1.00 4.44 C ATOM 1700 CD2 TYR A 110 -5.133 -2.068 -2.165 1.00 74.33 C ATOM 1701 CE1 TYR A 110 -3.120 -3.627 -1.105 1.00 35.41 C ATOM 1702 CE2 TYR A 110 -5.424 -2.992 -1.178 1.00 3.42 C ATOM 1703 CZ TYR A 110 -4.414 -3.769 -0.653 1.00 34.45 C ATOM 1704 OH TYR A 110 -4.699 -4.688 0.330 1.00 3.11 O ATOM 0 H TYR A 110 -5.037 -2.932 -4.977 1.00 75.35 H new ATOM 0 HA TYR A 110 -3.418 -0.610 -5.830 1.00 52.23 H new ATOM 0 HB2 TYR A 110 -2.530 -0.487 -3.543 1.00 43.03 H new ATOM 0 HB3 TYR A 110 -4.227 -0.062 -3.635 1.00 43.03 H new ATOM 0 HD1 TYR A 110 -1.821 -2.593 -2.443 1.00 4.44 H new ATOM 0 HD2 TYR A 110 -5.927 -1.461 -2.574 1.00 74.33 H new ATOM 0 HE1 TYR A 110 -2.331 -4.236 -0.690 1.00 35.41 H new ATOM 0 HE2 TYR A 110 -6.437 -3.104 -0.821 1.00 3.42 H new ATOM 0 HH TYR A 110 -5.657 -4.661 0.535 1.00 3.11 H new ATOM 1714 N SER A 111 -1.356 -2.093 -5.829 1.00 4.14 N ATOM 1715 CA SER A 111 -0.262 -3.012 -6.081 1.00 21.02 C ATOM 1716 C SER A 111 1.048 -2.412 -5.595 1.00 21.22 C ATOM 1717 O SER A 111 1.256 -1.207 -5.695 1.00 62.12 O ATOM 1718 CB SER A 111 -0.195 -3.339 -7.575 1.00 60.44 C ATOM 1719 OG SER A 111 -0.337 -2.167 -8.366 1.00 34.20 O ATOM 0 H SER A 111 -1.145 -1.118 -6.041 1.00 4.14 H new ATOM 0 HA SER A 111 -0.434 -3.938 -5.532 1.00 21.02 H new ATOM 0 HB2 SER A 111 0.756 -3.821 -7.802 1.00 60.44 H new ATOM 0 HB3 SER A 111 -0.981 -4.050 -7.830 1.00 60.44 H new ATOM 0 HG SER A 111 -0.508 -2.420 -9.297 1.00 34.20 H new ATOM 1725 N PHE A 112 1.915 -3.246 -5.038 1.00 21.33 N ATOM 1726 CA PHE A 112 3.192 -2.774 -4.529 1.00 65.03 C ATOM 1727 C PHE A 112 4.221 -3.896 -4.519 1.00 23.21 C ATOM 1728 O PHE A 112 3.900 -5.052 -4.239 1.00 24.22 O ATOM 1729 CB PHE A 112 3.036 -2.173 -3.122 1.00 74.35 C ATOM 1730 CG PHE A 112 2.427 -3.102 -2.105 1.00 74.40 C ATOM 1731 CD1 PHE A 112 1.052 -3.173 -1.944 1.00 1.01 C ATOM 1732 CD2 PHE A 112 3.232 -3.900 -1.306 1.00 54.43 C ATOM 1733 CE1 PHE A 112 0.493 -4.023 -1.009 1.00 43.14 C ATOM 1734 CE2 PHE A 112 2.679 -4.752 -0.369 1.00 1.42 C ATOM 1735 CZ PHE A 112 1.307 -4.813 -0.222 1.00 22.22 C ATOM 0 H PHE A 112 1.757 -4.248 -4.928 1.00 21.33 H new ATOM 0 HA PHE A 112 3.548 -1.989 -5.197 1.00 65.03 H new ATOM 0 HB2 PHE A 112 4.017 -1.858 -2.765 1.00 74.35 H new ATOM 0 HB3 PHE A 112 2.419 -1.277 -3.191 1.00 74.35 H new ATOM 0 HD1 PHE A 112 0.410 -2.557 -2.556 1.00 1.01 H new ATOM 0 HD2 PHE A 112 4.305 -3.855 -1.418 1.00 54.43 H new ATOM 0 HE1 PHE A 112 -0.580 -4.069 -0.894 1.00 43.14 H new ATOM 0 HE2 PHE A 112 3.318 -5.368 0.246 1.00 1.42 H new ATOM 0 HZ PHE A 112 0.871 -5.479 0.508 1.00 22.22 H new ATOM 1745 N GLU A 113 5.448 -3.542 -4.857 1.00 44.15 N ATOM 1746 CA GLU A 113 6.560 -4.476 -4.869 1.00 50.54 C ATOM 1747 C GLU A 113 7.827 -3.710 -4.503 1.00 50.52 C ATOM 1748 O GLU A 113 7.911 -2.513 -4.773 1.00 70.22 O ATOM 1749 CB GLU A 113 6.675 -5.122 -6.255 1.00 41.24 C ATOM 1750 CG GLU A 113 7.766 -6.172 -6.379 1.00 4.31 C ATOM 1751 CD GLU A 113 7.662 -7.252 -5.328 1.00 4.44 C ATOM 1752 OE1 GLU A 113 6.652 -7.986 -5.309 1.00 14.54 O ATOM 1753 OE2 GLU A 113 8.589 -7.363 -4.506 1.00 32.35 O ATOM 0 H GLU A 113 5.703 -2.593 -5.132 1.00 44.15 H new ATOM 0 HA GLU A 113 6.405 -5.276 -4.145 1.00 50.54 H new ATOM 0 HB2 GLU A 113 5.719 -5.580 -6.507 1.00 41.24 H new ATOM 0 HB3 GLU A 113 6.858 -4.339 -6.991 1.00 41.24 H new ATOM 0 HG2 GLU A 113 7.714 -6.628 -7.368 1.00 4.31 H new ATOM 0 HG3 GLU A 113 8.740 -5.688 -6.301 1.00 4.31 H new ATOM 1760 N LYS A 114 8.799 -4.369 -3.881 1.00 22.12 N ATOM 1761 CA LYS A 114 9.992 -3.669 -3.434 1.00 14.41 C ATOM 1762 C LYS A 114 10.932 -3.345 -4.585 1.00 25.31 C ATOM 1763 O LYS A 114 11.788 -4.143 -4.973 1.00 22.21 O ATOM 1764 CB LYS A 114 10.730 -4.407 -2.332 1.00 32.24 C ATOM 1765 CG LYS A 114 10.667 -5.900 -2.439 1.00 74.21 C ATOM 1766 CD LYS A 114 9.473 -6.438 -1.680 1.00 21.43 C ATOM 1767 CE LYS A 114 9.539 -7.936 -1.603 1.00 13.33 C ATOM 1768 NZ LYS A 114 8.459 -8.512 -0.762 1.00 71.32 N ATOM 0 H LYS A 114 8.784 -5.369 -3.679 1.00 22.12 H new ATOM 0 HA LYS A 114 9.638 -2.728 -3.012 1.00 14.41 H new ATOM 0 HB2 LYS A 114 11.775 -4.098 -2.341 1.00 32.24 H new ATOM 0 HB3 LYS A 114 10.317 -4.106 -1.369 1.00 32.24 H new ATOM 0 HG2 LYS A 114 10.601 -6.193 -3.487 1.00 74.21 H new ATOM 0 HG3 LYS A 114 11.584 -6.337 -2.043 1.00 74.21 H new ATOM 0 HD2 LYS A 114 9.451 -6.016 -0.675 1.00 21.43 H new ATOM 0 HD3 LYS A 114 8.551 -6.132 -2.174 1.00 21.43 H new ATOM 0 HE2 LYS A 114 9.472 -8.351 -2.609 1.00 13.33 H new ATOM 0 HE3 LYS A 114 10.507 -8.233 -1.199 1.00 13.33 H new ATOM 0 HZ1 LYS A 114 8.550 -9.548 -0.742 1.00 71.32 H new ATOM 0 HZ2 LYS A 114 8.536 -8.139 0.206 1.00 71.32 H new ATOM 0 HZ3 LYS A 114 7.534 -8.253 -1.160 1.00 71.32 H new ATOM 1782 N VAL A 115 10.715 -2.177 -5.148 1.00 13.34 N ATOM 1783 CA VAL A 115 11.582 -1.610 -6.164 1.00 60.02 C ATOM 1784 C VAL A 115 11.806 -0.134 -5.842 1.00 20.41 C ATOM 1785 O VAL A 115 10.902 0.533 -5.333 1.00 25.41 O ATOM 1786 CB VAL A 115 10.986 -1.786 -7.586 1.00 53.33 C ATOM 1787 CG1 VAL A 115 9.618 -1.133 -7.697 1.00 12.23 C ATOM 1788 CG2 VAL A 115 11.926 -1.237 -8.649 1.00 4.01 C ATOM 0 H VAL A 115 9.920 -1.583 -4.911 1.00 13.34 H new ATOM 0 HA VAL A 115 12.536 -2.138 -6.158 1.00 60.02 H new ATOM 0 HB VAL A 115 10.866 -2.856 -7.757 1.00 53.33 H new ATOM 0 HG11 VAL A 115 9.228 -1.274 -8.705 1.00 12.23 H new ATOM 0 HG12 VAL A 115 8.938 -1.589 -6.978 1.00 12.23 H new ATOM 0 HG13 VAL A 115 9.706 -0.067 -7.488 1.00 12.23 H new ATOM 0 HG21 VAL A 115 11.481 -1.375 -9.634 1.00 4.01 H new ATOM 0 HG22 VAL A 115 12.094 -0.175 -8.472 1.00 4.01 H new ATOM 0 HG23 VAL A 115 12.877 -1.768 -8.603 1.00 4.01 H new ATOM 1798 N LYS A 116 13.008 0.365 -6.100 1.00 75.32 N ATOM 1799 CA LYS A 116 13.365 1.726 -5.706 1.00 73.01 C ATOM 1800 C LYS A 116 12.541 2.774 -6.455 1.00 32.24 C ATOM 1801 O LYS A 116 12.033 2.528 -7.552 1.00 54.24 O ATOM 1802 CB LYS A 116 14.853 1.987 -5.933 1.00 34.44 C ATOM 1803 CG LYS A 116 15.263 1.963 -7.394 1.00 64.24 C ATOM 1804 CD LYS A 116 16.650 2.544 -7.587 1.00 35.05 C ATOM 1805 CE LYS A 116 17.715 1.712 -6.892 1.00 20.45 C ATOM 1806 NZ LYS A 116 19.075 2.263 -7.116 1.00 4.33 N ATOM 0 H LYS A 116 13.750 -0.147 -6.577 1.00 75.32 H new ATOM 0 HA LYS A 116 13.142 1.814 -4.643 1.00 73.01 H new ATOM 0 HB2 LYS A 116 15.111 2.957 -5.509 1.00 34.44 H new ATOM 0 HB3 LYS A 116 15.431 1.238 -5.391 1.00 34.44 H new ATOM 0 HG2 LYS A 116 15.241 0.938 -7.763 1.00 64.24 H new ATOM 0 HG3 LYS A 116 14.544 2.530 -7.985 1.00 64.24 H new ATOM 0 HD2 LYS A 116 16.874 2.603 -8.652 1.00 35.05 H new ATOM 0 HD3 LYS A 116 16.674 3.562 -7.199 1.00 35.05 H new ATOM 0 HE2 LYS A 116 17.508 1.676 -5.822 1.00 20.45 H new ATOM 0 HE3 LYS A 116 17.673 0.687 -7.259 1.00 20.45 H new ATOM 0 HZ1 LYS A 116 19.775 1.669 -6.627 1.00 4.33 H new ATOM 0 HZ2 LYS A 116 19.282 2.274 -8.135 1.00 4.33 H new ATOM 0 HZ3 LYS A 116 19.122 3.233 -6.743 1.00 4.33 H new ATOM 1820 N ALA A 117 12.441 3.950 -5.859 1.00 52.53 N ATOM 1821 CA ALA A 117 11.667 5.046 -6.420 1.00 2.43 C ATOM 1822 C ALA A 117 12.352 6.371 -6.106 1.00 64.32 C ATOM 1823 O ALA A 117 12.982 6.508 -5.058 1.00 51.12 O ATOM 1824 CB ALA A 117 10.248 5.013 -5.875 1.00 65.23 C ATOM 0 H ALA A 117 12.894 4.173 -4.973 1.00 52.53 H new ATOM 0 HA ALA A 117 11.612 4.939 -7.503 1.00 2.43 H new ATOM 0 HB1 ALA A 117 9.676 5.837 -6.300 1.00 65.23 H new ATOM 0 HB2 ALA A 117 9.777 4.067 -6.144 1.00 65.23 H new ATOM 0 HB3 ALA A 117 10.273 5.111 -4.790 1.00 65.23 H new ATOM 1830 N HIS A 118 12.274 7.328 -7.026 1.00 50.42 N ATOM 1831 CA HIS A 118 12.994 8.588 -6.861 1.00 61.31 C ATOM 1832 C HIS A 118 12.219 9.777 -7.444 1.00 12.30 C ATOM 1833 O HIS A 118 12.801 10.628 -8.116 1.00 11.21 O ATOM 1834 CB HIS A 118 14.395 8.483 -7.504 1.00 53.52 C ATOM 1835 CG HIS A 118 14.395 8.367 -9.007 1.00 62.35 C ATOM 1836 ND1 HIS A 118 14.005 7.233 -9.688 1.00 25.53 N ATOM 1837 CD2 HIS A 118 14.745 9.266 -9.960 1.00 70.23 C ATOM 1838 CE1 HIS A 118 14.112 7.443 -10.988 1.00 1.52 C ATOM 1839 NE2 HIS A 118 14.557 8.668 -11.180 1.00 21.20 N ATOM 0 H HIS A 118 11.727 7.258 -7.884 1.00 50.42 H new ATOM 0 HA HIS A 118 13.101 8.771 -5.792 1.00 61.31 H new ATOM 0 HB2 HIS A 118 14.975 9.361 -7.222 1.00 53.52 H new ATOM 0 HB3 HIS A 118 14.906 7.615 -7.087 1.00 53.52 H new ATOM 0 HD2 HIS A 118 15.106 10.270 -9.790 1.00 70.23 H new ATOM 0 HE1 HIS A 118 13.874 6.730 -11.763 1.00 1.52 H new ATOM 0 HE2 HIS A 118 14.733 9.101 -12.087 1.00 21.20 H new ATOM 1848 N SER A 119 10.921 9.858 -7.174 1.00 42.34 N ATOM 1849 CA SER A 119 10.101 10.929 -7.740 1.00 54.22 C ATOM 1850 C SER A 119 10.568 12.303 -7.247 1.00 24.02 C ATOM 1851 O SER A 119 10.511 13.290 -7.985 1.00 12.01 O ATOM 1852 CB SER A 119 8.628 10.717 -7.385 1.00 4.24 C ATOM 1853 OG SER A 119 8.175 9.452 -7.838 1.00 31.31 O ATOM 0 H SER A 119 10.416 9.205 -6.575 1.00 42.34 H new ATOM 0 HA SER A 119 10.213 10.899 -8.824 1.00 54.22 H new ATOM 0 HB2 SER A 119 8.496 10.790 -6.305 1.00 4.24 H new ATOM 0 HB3 SER A 119 8.024 11.506 -7.834 1.00 4.24 H new ATOM 0 HG SER A 119 8.618 8.743 -7.326 1.00 31.31 H new ATOM 1859 N GLY A 120 11.061 12.354 -6.014 1.00 53.33 N ATOM 1860 CA GLY A 120 11.612 13.588 -5.481 1.00 63.52 C ATOM 1861 C GLY A 120 10.579 14.694 -5.335 1.00 34.15 C ATOM 1862 O GLY A 120 10.741 15.783 -5.894 1.00 73.40 O ATOM 0 H GLY A 120 11.089 11.561 -5.373 1.00 53.33 H new ATOM 0 HA2 GLY A 120 12.059 13.387 -4.508 1.00 63.52 H new ATOM 0 HA3 GLY A 120 12.413 13.932 -6.135 1.00 63.52 H new ATOM 1866 N ASN A 121 9.518 14.414 -4.593 1.00 1.32 N ATOM 1867 CA ASN A 121 8.488 15.409 -4.301 1.00 12.33 C ATOM 1868 C ASN A 121 8.525 15.757 -2.816 1.00 24.41 C ATOM 1869 O ASN A 121 9.331 15.199 -2.072 1.00 4.01 O ATOM 1870 CB ASN A 121 7.092 14.898 -4.697 1.00 53.02 C ATOM 1871 CG ASN A 121 6.880 14.859 -6.203 1.00 4.40 C ATOM 1872 OD1 ASN A 121 7.825 14.707 -6.975 1.00 23.32 O ATOM 1873 ND2 ASN A 121 5.633 14.985 -6.632 1.00 71.35 N ATOM 0 H ASN A 121 9.344 13.499 -4.177 1.00 1.32 H new ATOM 0 HA ASN A 121 8.691 16.304 -4.889 1.00 12.33 H new ATOM 0 HB2 ASN A 121 6.948 13.898 -4.289 1.00 53.02 H new ATOM 0 HB3 ASN A 121 6.335 15.539 -4.245 1.00 53.02 H new ATOM 0 HD21 ASN A 121 5.432 14.957 -7.632 1.00 71.35 H new ATOM 0 HD22 ASN A 121 4.874 15.110 -5.963 1.00 71.35 H new ATOM 1880 N GLU A 122 7.656 16.670 -2.384 1.00 0.51 N ATOM 1881 CA GLU A 122 7.616 17.102 -0.984 1.00 63.51 C ATOM 1882 C GLU A 122 7.368 15.921 -0.050 1.00 12.21 C ATOM 1883 O GLU A 122 7.820 15.914 1.096 1.00 33.54 O ATOM 1884 CB GLU A 122 6.528 18.162 -0.755 1.00 52.25 C ATOM 1885 CG GLU A 122 6.629 19.380 -1.663 1.00 62.33 C ATOM 1886 CD GLU A 122 5.948 19.174 -3.000 1.00 24.25 C ATOM 1887 OE1 GLU A 122 6.586 18.625 -3.923 1.00 20.44 O ATOM 1888 OE2 GLU A 122 4.766 19.551 -3.132 1.00 34.22 O ATOM 0 H GLU A 122 6.968 17.127 -2.983 1.00 0.51 H new ATOM 0 HA GLU A 122 8.589 17.539 -0.760 1.00 63.51 H new ATOM 0 HB2 GLU A 122 5.552 17.699 -0.898 1.00 52.25 H new ATOM 0 HB3 GLU A 122 6.575 18.494 0.282 1.00 52.25 H new ATOM 0 HG2 GLU A 122 6.183 20.239 -1.162 1.00 62.33 H new ATOM 0 HG3 GLU A 122 7.680 19.618 -1.829 1.00 62.33 H new ATOM 1895 N PHE A 123 6.655 14.922 -0.553 1.00 13.52 N ATOM 1896 CA PHE A 123 6.328 13.739 0.233 1.00 33.32 C ATOM 1897 C PHE A 123 7.578 12.928 0.567 1.00 14.22 C ATOM 1898 O PHE A 123 7.617 12.225 1.575 1.00 1.35 O ATOM 1899 CB PHE A 123 5.325 12.860 -0.517 1.00 12.11 C ATOM 1900 CG PHE A 123 3.998 13.523 -0.746 1.00 44.22 C ATOM 1901 CD1 PHE A 123 3.073 13.622 0.281 1.00 50.33 C ATOM 1902 CD2 PHE A 123 3.675 14.045 -1.987 1.00 0.15 C ATOM 1903 CE1 PHE A 123 1.852 14.231 0.076 1.00 11.21 C ATOM 1904 CE2 PHE A 123 2.454 14.657 -2.199 1.00 13.14 C ATOM 1905 CZ PHE A 123 1.542 14.750 -1.165 1.00 1.33 C ATOM 0 H PHE A 123 6.291 14.907 -1.506 1.00 13.52 H new ATOM 0 HA PHE A 123 5.881 14.078 1.168 1.00 33.32 H new ATOM 0 HB2 PHE A 123 5.751 12.577 -1.480 1.00 12.11 H new ATOM 0 HB3 PHE A 123 5.169 11.940 0.046 1.00 12.11 H new ATOM 0 HD1 PHE A 123 3.311 13.218 1.254 1.00 50.33 H new ATOM 0 HD2 PHE A 123 4.385 13.973 -2.798 1.00 0.15 H new ATOM 0 HE1 PHE A 123 1.140 14.302 0.885 1.00 11.21 H new ATOM 0 HE2 PHE A 123 2.213 15.062 -3.171 1.00 13.14 H new ATOM 0 HZ PHE A 123 0.587 15.228 -1.328 1.00 1.33 H new ATOM 1915 N ASN A 124 8.601 13.040 -0.275 1.00 0.14 N ATOM 1916 CA ASN A 124 9.852 12.314 -0.069 1.00 44.33 C ATOM 1917 C ASN A 124 10.531 12.754 1.219 1.00 63.01 C ATOM 1918 O ASN A 124 11.173 11.956 1.895 1.00 13.33 O ATOM 1919 CB ASN A 124 10.796 12.514 -1.255 1.00 12.32 C ATOM 1920 CG ASN A 124 10.401 11.674 -2.450 1.00 4.42 C ATOM 1921 OD1 ASN A 124 9.555 12.071 -3.252 1.00 24.54 O ATOM 1922 ND2 ASN A 124 11.023 10.517 -2.587 1.00 42.25 N ATOM 0 H ASN A 124 8.589 13.628 -1.109 1.00 0.14 H new ATOM 0 HA ASN A 124 9.612 11.254 0.012 1.00 44.33 H new ATOM 0 HB2 ASN A 124 10.801 13.566 -1.539 1.00 12.32 H new ATOM 0 HB3 ASN A 124 11.812 12.260 -0.955 1.00 12.32 H new ATOM 0 HD21 ASN A 124 10.809 9.914 -3.381 1.00 42.25 H new ATOM 0 HD22 ASN A 124 11.718 10.227 -1.899 1.00 42.25 H new ATOM 1929 N ASP A 125 10.371 14.026 1.555 1.00 51.42 N ATOM 1930 CA ASP A 125 10.916 14.569 2.795 1.00 73.21 C ATOM 1931 C ASP A 125 10.244 13.901 3.990 1.00 1.31 C ATOM 1932 O ASP A 125 10.898 13.533 4.968 1.00 24.31 O ATOM 1933 CB ASP A 125 10.698 16.085 2.844 1.00 5.22 C ATOM 1934 CG ASP A 125 11.231 16.728 4.112 1.00 52.14 C ATOM 1935 OD1 ASP A 125 12.414 17.130 4.125 1.00 73.53 O ATOM 1936 OD2 ASP A 125 10.459 16.864 5.089 1.00 33.02 O ATOM 0 H ASP A 125 9.867 14.705 0.985 1.00 51.42 H new ATOM 0 HA ASP A 125 11.987 14.368 2.833 1.00 73.21 H new ATOM 0 HB2 ASP A 125 11.182 16.543 1.982 1.00 5.22 H new ATOM 0 HB3 ASP A 125 9.632 16.295 2.759 1.00 5.22 H new ATOM 1941 N TYR A 126 8.937 13.711 3.866 1.00 40.25 N ATOM 1942 CA TYR A 126 8.126 13.124 4.924 1.00 1.22 C ATOM 1943 C TYR A 126 8.434 11.634 5.088 1.00 73.23 C ATOM 1944 O TYR A 126 8.696 11.163 6.197 1.00 73.12 O ATOM 1945 CB TYR A 126 6.642 13.330 4.594 1.00 23.03 C ATOM 1946 CG TYR A 126 5.682 12.909 5.686 1.00 1.41 C ATOM 1947 CD1 TYR A 126 5.460 13.722 6.790 1.00 73.23 C ATOM 1948 CD2 TYR A 126 4.977 11.712 5.601 1.00 61.14 C ATOM 1949 CE1 TYR A 126 4.566 13.357 7.778 1.00 74.11 C ATOM 1950 CE2 TYR A 126 4.083 11.336 6.589 1.00 14.44 C ATOM 1951 CZ TYR A 126 3.880 12.163 7.675 1.00 44.42 C ATOM 1952 OH TYR A 126 2.980 11.806 8.657 1.00 14.50 O ATOM 0 H TYR A 126 8.409 13.960 3.029 1.00 40.25 H new ATOM 0 HA TYR A 126 8.362 13.617 5.867 1.00 1.22 H new ATOM 0 HB2 TYR A 126 6.477 14.384 4.372 1.00 23.03 H new ATOM 0 HB3 TYR A 126 6.406 12.773 3.688 1.00 23.03 H new ATOM 0 HD1 TYR A 126 5.996 14.656 6.878 1.00 73.23 H new ATOM 0 HD2 TYR A 126 5.130 11.065 4.750 1.00 61.14 H new ATOM 0 HE1 TYR A 126 4.404 14.003 8.628 1.00 74.11 H new ATOM 0 HE2 TYR A 126 3.548 10.401 6.510 1.00 14.44 H new ATOM 0 HH TYR A 126 3.095 10.858 8.877 1.00 14.50 H new ATOM 1962 N VAL A 127 8.424 10.903 3.979 1.00 54.12 N ATOM 1963 CA VAL A 127 8.605 9.456 4.018 1.00 52.34 C ATOM 1964 C VAL A 127 10.046 9.073 4.369 1.00 63.44 C ATOM 1965 O VAL A 127 10.272 8.081 5.063 1.00 42.51 O ATOM 1966 CB VAL A 127 8.185 8.787 2.683 1.00 15.12 C ATOM 1967 CG1 VAL A 127 9.055 9.250 1.524 1.00 32.42 C ATOM 1968 CG2 VAL A 127 8.210 7.269 2.802 1.00 14.13 C ATOM 0 H VAL A 127 8.293 11.287 3.043 1.00 54.12 H new ATOM 0 HA VAL A 127 7.951 9.084 4.807 1.00 52.34 H new ATOM 0 HB VAL A 127 7.162 9.098 2.472 1.00 15.12 H new ATOM 0 HG11 VAL A 127 8.730 8.759 0.606 1.00 32.42 H new ATOM 0 HG12 VAL A 127 8.964 10.330 1.410 1.00 32.42 H new ATOM 0 HG13 VAL A 127 10.095 8.993 1.724 1.00 32.42 H new ATOM 0 HG21 VAL A 127 7.912 6.825 1.853 1.00 14.13 H new ATOM 0 HG22 VAL A 127 9.218 6.940 3.055 1.00 14.13 H new ATOM 0 HG23 VAL A 127 7.518 6.954 3.583 1.00 14.13 H new ATOM 1978 N ASP A 128 11.013 9.866 3.912 1.00 51.51 N ATOM 1979 CA ASP A 128 12.421 9.573 4.176 1.00 30.35 C ATOM 1980 C ASP A 128 12.705 9.533 5.670 1.00 22.10 C ATOM 1981 O ASP A 128 13.167 8.522 6.192 1.00 65.32 O ATOM 1982 CB ASP A 128 13.327 10.607 3.501 1.00 33.33 C ATOM 1983 CG ASP A 128 14.759 10.537 3.997 1.00 23.32 C ATOM 1984 OD1 ASP A 128 15.510 9.649 3.547 1.00 71.10 O ATOM 1985 OD2 ASP A 128 15.138 11.375 4.844 1.00 34.44 O ATOM 0 H ASP A 128 10.850 10.709 3.362 1.00 51.51 H new ATOM 0 HA ASP A 128 12.635 8.589 3.758 1.00 30.35 H new ATOM 0 HB2 ASP A 128 13.311 10.450 2.422 1.00 33.33 H new ATOM 0 HB3 ASP A 128 12.931 11.606 3.683 1.00 33.33 H new ATOM 1990 N MET A 129 12.385 10.619 6.362 1.00 71.24 N ATOM 1991 CA MET A 129 12.643 10.706 7.793 1.00 31.13 C ATOM 1992 C MET A 129 11.769 9.714 8.552 1.00 41.41 C ATOM 1993 O MET A 129 12.164 9.188 9.594 1.00 50.14 O ATOM 1994 CB MET A 129 12.428 12.135 8.311 1.00 74.11 C ATOM 1995 CG MET A 129 11.008 12.661 8.154 1.00 22.52 C ATOM 1996 SD MET A 129 10.821 14.351 8.758 1.00 34.21 S ATOM 1997 CE MET A 129 11.216 14.141 10.492 1.00 44.44 C ATOM 0 H MET A 129 11.949 11.448 5.958 1.00 71.24 H new ATOM 0 HA MET A 129 13.688 10.447 7.966 1.00 31.13 H new ATOM 0 HB2 MET A 129 12.699 12.169 9.366 1.00 74.11 H new ATOM 0 HB3 MET A 129 13.109 12.804 7.785 1.00 74.11 H new ATOM 0 HG2 MET A 129 10.725 12.622 7.102 1.00 22.52 H new ATOM 0 HG3 MET A 129 10.321 12.009 8.694 1.00 22.52 H new ATOM 0 HE1 MET A 129 10.739 14.931 11.072 1.00 44.44 H new ATOM 0 HE2 MET A 129 10.853 13.171 10.833 1.00 44.44 H new ATOM 0 HE3 MET A 129 12.296 14.193 10.628 1.00 44.44 H new ATOM 2007 N LYS A 130 10.583 9.457 8.015 1.00 21.01 N ATOM 2008 CA LYS A 130 9.658 8.504 8.606 1.00 11.22 C ATOM 2009 C LYS A 130 10.281 7.106 8.611 1.00 22.14 C ATOM 2010 O LYS A 130 10.278 6.416 9.631 1.00 42.30 O ATOM 2011 CB LYS A 130 8.348 8.500 7.810 1.00 75.14 C ATOM 2012 CG LYS A 130 7.101 8.256 8.649 1.00 1.44 C ATOM 2013 CD LYS A 130 7.119 6.897 9.321 1.00 0.21 C ATOM 2014 CE LYS A 130 5.871 6.676 10.154 1.00 43.31 C ATOM 2015 NZ LYS A 130 4.647 6.621 9.315 1.00 22.25 N ATOM 0 H LYS A 130 10.239 9.901 7.164 1.00 21.01 H new ATOM 0 HA LYS A 130 9.447 8.795 9.635 1.00 11.22 H new ATOM 0 HB2 LYS A 130 8.245 9.457 7.299 1.00 75.14 H new ATOM 0 HB3 LYS A 130 8.408 7.732 7.039 1.00 75.14 H new ATOM 0 HG2 LYS A 130 7.018 9.034 9.408 1.00 1.44 H new ATOM 0 HG3 LYS A 130 6.218 8.334 8.015 1.00 1.44 H new ATOM 0 HD2 LYS A 130 7.196 6.116 8.564 1.00 0.21 H new ATOM 0 HD3 LYS A 130 8.001 6.815 9.956 1.00 0.21 H new ATOM 0 HE2 LYS A 130 5.969 5.746 10.715 1.00 43.31 H new ATOM 0 HE3 LYS A 130 5.775 7.480 10.884 1.00 43.31 H new ATOM 0 HZ1 LYS A 130 3.816 6.469 9.922 1.00 22.25 H new ATOM 0 HZ2 LYS A 130 4.539 7.518 8.799 1.00 22.25 H new ATOM 0 HZ3 LYS A 130 4.727 5.838 8.635 1.00 22.25 H new ATOM 2029 N ALA A 131 10.824 6.707 7.467 1.00 22.45 N ATOM 2030 CA ALA A 131 11.450 5.398 7.322 1.00 2.22 C ATOM 2031 C ALA A 131 12.703 5.290 8.186 1.00 11.41 C ATOM 2032 O ALA A 131 12.977 4.240 8.767 1.00 51.23 O ATOM 2033 CB ALA A 131 11.792 5.135 5.863 1.00 15.55 C ATOM 0 H ALA A 131 10.843 7.276 6.621 1.00 22.45 H new ATOM 0 HA ALA A 131 10.739 4.644 7.660 1.00 2.22 H new ATOM 0 HB1 ALA A 131 12.259 4.154 5.770 1.00 15.55 H new ATOM 0 HB2 ALA A 131 10.881 5.162 5.265 1.00 15.55 H new ATOM 0 HB3 ALA A 131 12.482 5.900 5.507 1.00 15.55 H new ATOM 2039 N LYS A 132 13.452 6.385 8.282 1.00 11.13 N ATOM 2040 CA LYS A 132 14.680 6.406 9.075 1.00 33.33 C ATOM 2041 C LYS A 132 14.384 6.118 10.542 1.00 15.02 C ATOM 2042 O LYS A 132 15.196 5.506 11.236 1.00 33.22 O ATOM 2043 CB LYS A 132 15.389 7.756 8.954 1.00 63.34 C ATOM 2044 CG LYS A 132 15.764 8.132 7.532 1.00 11.21 C ATOM 2045 CD LYS A 132 16.747 7.153 6.916 1.00 1.44 C ATOM 2046 CE LYS A 132 16.967 7.456 5.444 1.00 43.51 C ATOM 2047 NZ LYS A 132 17.467 8.841 5.222 1.00 5.11 N ATOM 0 H LYS A 132 13.232 7.268 7.822 1.00 11.13 H new ATOM 0 HA LYS A 132 15.334 5.627 8.684 1.00 33.33 H new ATOM 0 HB2 LYS A 132 14.743 8.532 9.366 1.00 63.34 H new ATOM 0 HB3 LYS A 132 16.292 7.736 9.564 1.00 63.34 H new ATOM 0 HG2 LYS A 132 14.863 8.172 6.920 1.00 11.21 H new ATOM 0 HG3 LYS A 132 16.198 9.132 7.526 1.00 11.21 H new ATOM 0 HD2 LYS A 132 17.697 7.204 7.447 1.00 1.44 H new ATOM 0 HD3 LYS A 132 16.372 6.136 7.029 1.00 1.44 H new ATOM 0 HE2 LYS A 132 17.681 6.743 5.031 1.00 43.51 H new ATOM 0 HE3 LYS A 132 16.031 7.319 4.903 1.00 43.51 H new ATOM 0 HZ1 LYS A 132 16.722 9.411 4.772 1.00 5.11 H new ATOM 0 HZ2 LYS A 132 17.726 9.267 6.135 1.00 5.11 H new ATOM 0 HZ3 LYS A 132 18.303 8.813 4.604 1.00 5.11 H new ATOM 2061 N SER A 133 13.215 6.544 11.003 1.00 50.33 N ATOM 2062 CA SER A 133 12.816 6.330 12.386 1.00 0.22 C ATOM 2063 C SER A 133 12.664 4.836 12.675 1.00 72.52 C ATOM 2064 O SER A 133 12.984 4.371 13.767 1.00 33.21 O ATOM 2065 CB SER A 133 11.503 7.065 12.679 1.00 61.22 C ATOM 2066 OG SER A 133 11.216 7.076 14.070 1.00 1.24 O ATOM 0 H SER A 133 12.526 7.040 10.438 1.00 50.33 H new ATOM 0 HA SER A 133 13.594 6.730 13.037 1.00 0.22 H new ATOM 0 HB2 SER A 133 11.567 8.089 12.311 1.00 61.22 H new ATOM 0 HB3 SER A 133 10.686 6.583 12.141 1.00 61.22 H new ATOM 0 HG SER A 133 10.374 7.553 14.227 1.00 1.24 H new ATOM 2072 N ALA A 134 12.199 4.084 11.680 1.00 72.13 N ATOM 2073 CA ALA A 134 12.013 2.645 11.830 1.00 44.32 C ATOM 2074 C ALA A 134 13.350 1.914 11.749 1.00 2.34 C ATOM 2075 O ALA A 134 13.493 0.794 12.240 1.00 4.44 O ATOM 2076 CB ALA A 134 11.051 2.119 10.772 1.00 23.43 C ATOM 0 H ALA A 134 11.945 4.448 10.762 1.00 72.13 H new ATOM 0 HA ALA A 134 11.582 2.457 12.814 1.00 44.32 H new ATOM 0 HB1 ALA A 134 10.924 1.044 10.898 1.00 23.43 H new ATOM 0 HB2 ALA A 134 10.086 2.614 10.880 1.00 23.43 H new ATOM 0 HB3 ALA A 134 11.454 2.322 9.780 1.00 23.43 H new ATOM 2082 N LEU A 135 14.333 2.566 11.139 1.00 11.22 N ATOM 2083 CA LEU A 135 15.666 1.994 11.003 1.00 61.41 C ATOM 2084 C LEU A 135 16.558 2.456 12.148 1.00 73.41 C ATOM 2085 O LEU A 135 17.721 2.053 12.256 1.00 73.03 O ATOM 2086 CB LEU A 135 16.280 2.392 9.657 1.00 12.01 C ATOM 2087 CG LEU A 135 15.519 1.899 8.422 1.00 50.03 C ATOM 2088 CD1 LEU A 135 16.163 2.434 7.152 1.00 44.44 C ATOM 2089 CD2 LEU A 135 15.475 0.378 8.398 1.00 52.00 C ATOM 0 H LEU A 135 14.231 3.495 10.730 1.00 11.22 H new ATOM 0 HA LEU A 135 15.585 0.908 11.041 1.00 61.41 H new ATOM 0 HB2 LEU A 135 16.346 3.479 9.613 1.00 12.01 H new ATOM 0 HB3 LEU A 135 17.299 2.008 9.613 1.00 12.01 H new ATOM 0 HG LEU A 135 14.496 2.273 8.473 1.00 50.03 H new ATOM 0 HD11 LEU A 135 15.610 2.074 6.284 1.00 44.44 H new ATOM 0 HD12 LEU A 135 16.146 3.524 7.167 1.00 44.44 H new ATOM 0 HD13 LEU A 135 17.195 2.088 7.094 1.00 44.44 H new ATOM 0 HD21 LEU A 135 14.931 0.044 7.515 1.00 52.00 H new ATOM 0 HD22 LEU A 135 16.491 -0.015 8.369 1.00 52.00 H new ATOM 0 HD23 LEU A 135 14.971 0.014 9.294 1.00 52.00 H new ATOM 2101 N GLY A 136 16.004 3.311 12.998 1.00 51.53 N ATOM 2102 CA GLY A 136 16.726 3.777 14.161 1.00 32.34 C ATOM 2103 C GLY A 136 17.758 4.834 13.827 1.00 24.41 C ATOM 2104 O GLY A 136 18.728 5.011 14.562 1.00 72.10 O ATOM 0 H GLY A 136 15.062 3.691 12.900 1.00 51.53 H new ATOM 0 HA2 GLY A 136 16.018 4.183 14.884 1.00 32.34 H new ATOM 0 HA3 GLY A 136 17.220 2.931 14.639 1.00 32.34 H new ATOM 2108 N ILE A 137 17.556 5.531 12.718 1.00 2.02 N ATOM 2109 CA ILE A 137 18.483 6.567 12.281 1.00 75.33 C ATOM 2110 C ILE A 137 18.291 7.834 13.109 1.00 3.22 C ATOM 2111 O ILE A 137 17.163 8.266 13.346 1.00 5.03 O ATOM 2112 CB ILE A 137 18.296 6.890 10.781 1.00 30.41 C ATOM 2113 CG1 ILE A 137 18.473 5.625 9.931 1.00 62.25 C ATOM 2114 CG2 ILE A 137 19.264 7.974 10.330 1.00 62.41 C ATOM 2115 CD1 ILE A 137 19.834 4.972 10.073 1.00 31.33 C ATOM 0 H ILE A 137 16.755 5.397 12.101 1.00 2.02 H new ATOM 0 HA ILE A 137 19.495 6.190 12.428 1.00 75.33 H new ATOM 0 HB ILE A 137 17.281 7.263 10.641 1.00 30.41 H new ATOM 0 HG12 ILE A 137 17.704 4.903 10.208 1.00 62.25 H new ATOM 0 HG13 ILE A 137 18.310 5.878 8.883 1.00 62.25 H new ATOM 0 HG21 ILE A 137 19.110 8.181 9.271 1.00 62.41 H new ATOM 0 HG22 ILE A 137 19.088 8.882 10.907 1.00 62.41 H new ATOM 0 HG23 ILE A 137 20.288 7.636 10.489 1.00 62.41 H new ATOM 0 HD11 ILE A 137 19.880 4.085 9.441 1.00 31.33 H new ATOM 0 HD12 ILE A 137 20.609 5.675 9.768 1.00 31.33 H new ATOM 0 HD13 ILE A 137 19.993 4.686 11.113 1.00 31.33 H new ATOM 2127 N ARG A 138 19.394 8.419 13.557 1.00 70.21 N ATOM 2128 CA ARG A 138 19.329 9.603 14.400 1.00 0.34 C ATOM 2129 C ARG A 138 19.344 10.875 13.563 1.00 25.54 C ATOM 2130 O ARG A 138 19.598 10.841 12.357 1.00 13.45 O ATOM 2131 CB ARG A 138 20.480 9.641 15.413 1.00 23.45 C ATOM 2132 CG ARG A 138 20.394 8.581 16.501 1.00 24.42 C ATOM 2133 CD ARG A 138 20.747 7.203 15.969 1.00 42.31 C ATOM 2134 NE ARG A 138 20.620 6.162 16.985 1.00 51.20 N ATOM 2135 CZ ARG A 138 21.204 4.969 16.891 1.00 20.52 C ATOM 2136 NH1 ARG A 138 21.964 4.684 15.839 1.00 60.33 N ATOM 2137 NH2 ARG A 138 21.025 4.068 17.849 1.00 21.33 N ATOM 0 H ARG A 138 20.339 8.094 13.352 1.00 70.21 H new ATOM 0 HA ARG A 138 18.388 9.549 14.948 1.00 0.34 H new ATOM 0 HB2 ARG A 138 21.422 9.520 14.879 1.00 23.45 H new ATOM 0 HB3 ARG A 138 20.503 10.625 15.882 1.00 23.45 H new ATOM 0 HG2 ARG A 138 21.069 8.841 17.317 1.00 24.42 H new ATOM 0 HG3 ARG A 138 19.386 8.565 16.915 1.00 24.42 H new ATOM 0 HD2 ARG A 138 20.098 6.965 15.126 1.00 42.31 H new ATOM 0 HD3 ARG A 138 21.769 7.214 15.591 1.00 42.31 H new ATOM 0 HE ARG A 138 20.054 6.359 17.810 1.00 51.20 H new ATOM 0 HH11 ARG A 138 22.100 5.379 15.105 1.00 60.33 H new ATOM 0 HH12 ARG A 138 22.412 3.771 15.766 1.00 60.33 H new ATOM 0 HH21 ARG A 138 20.441 4.290 18.655 1.00 21.33 H new ATOM 0 HH22 ARG A 138 21.471 3.154 17.779 1.00 21.33 H new ATOM 2151 N ASP A 139 19.095 11.988 14.243 1.00 34.31 N ATOM 2152 CA ASP A 139 18.990 13.314 13.638 1.00 4.20 C ATOM 2153 C ASP A 139 17.954 13.340 12.527 1.00 65.53 C ATOM 2154 O ASP A 139 18.272 13.506 11.349 1.00 72.03 O ATOM 2155 CB ASP A 139 20.338 13.781 13.095 1.00 2.12 C ATOM 2156 CG ASP A 139 21.396 13.903 14.169 1.00 41.43 C ATOM 2157 OD1 ASP A 139 21.327 14.856 14.973 1.00 34.35 O ATOM 2158 OD2 ASP A 139 22.305 13.048 14.217 1.00 61.15 O ATOM 0 H ASP A 139 18.957 11.996 15.254 1.00 34.31 H new ATOM 0 HA ASP A 139 18.671 13.997 14.425 1.00 4.20 H new ATOM 0 HB2 ASP A 139 20.680 13.080 12.334 1.00 2.12 H new ATOM 0 HB3 ASP A 139 20.212 14.747 12.605 1.00 2.12 H new ATOM 2163 N LEU A 140 16.709 13.185 12.931 1.00 12.32 N ATOM 2164 CA LEU A 140 15.567 13.412 12.063 1.00 53.33 C ATOM 2165 C LEU A 140 15.050 14.813 12.316 1.00 3.15 C ATOM 2166 O LEU A 140 14.661 15.543 11.407 1.00 44.02 O ATOM 2167 CB LEU A 140 14.468 12.385 12.338 1.00 5.41 C ATOM 2168 CG LEU A 140 14.887 10.927 12.153 1.00 52.42 C ATOM 2169 CD1 LEU A 140 13.730 9.992 12.467 1.00 33.14 C ATOM 2170 CD2 LEU A 140 15.388 10.697 10.739 1.00 32.31 C ATOM 0 H LEU A 140 16.458 12.896 13.876 1.00 12.32 H new ATOM 0 HA LEU A 140 15.869 13.305 11.021 1.00 53.33 H new ATOM 0 HB2 LEU A 140 14.114 12.519 13.360 1.00 5.41 H new ATOM 0 HB3 LEU A 140 13.625 12.592 11.679 1.00 5.41 H new ATOM 0 HG LEU A 140 15.698 10.711 12.848 1.00 52.42 H new ATOM 0 HD11 LEU A 140 14.049 8.959 12.329 1.00 33.14 H new ATOM 0 HD12 LEU A 140 13.413 10.139 13.500 1.00 33.14 H new ATOM 0 HD13 LEU A 140 12.897 10.207 11.798 1.00 33.14 H new ATOM 0 HD21 LEU A 140 15.683 9.654 10.623 1.00 32.31 H new ATOM 0 HD22 LEU A 140 14.595 10.931 10.029 1.00 32.31 H new ATOM 0 HD23 LEU A 140 16.247 11.340 10.548 1.00 32.31 H new ATOM 2182 N GLU A 141 15.085 15.166 13.587 1.00 32.21 N ATOM 2183 CA GLU A 141 14.617 16.446 14.074 1.00 53.03 C ATOM 2184 C GLU A 141 15.740 17.474 14.027 1.00 73.41 C ATOM 2185 O GLU A 141 15.646 18.550 14.619 1.00 63.21 O ATOM 2186 CB GLU A 141 14.109 16.293 15.512 1.00 41.43 C ATOM 2187 CG GLU A 141 15.151 15.750 16.492 1.00 31.24 C ATOM 2188 CD GLU A 141 15.331 14.238 16.426 1.00 72.14 C ATOM 2189 OE1 GLU A 141 16.121 13.752 15.583 1.00 24.41 O ATOM 2190 OE2 GLU A 141 14.696 13.529 17.227 1.00 11.33 O ATOM 0 H GLU A 141 15.447 14.558 14.322 1.00 32.21 H new ATOM 0 HA GLU A 141 13.803 16.791 13.437 1.00 53.03 H new ATOM 0 HB2 GLU A 141 13.763 17.263 15.868 1.00 41.43 H new ATOM 0 HB3 GLU A 141 13.246 15.627 15.511 1.00 41.43 H new ATOM 0 HG2 GLU A 141 16.109 16.229 16.291 1.00 31.24 H new ATOM 0 HG3 GLU A 141 14.862 16.028 17.506 1.00 31.24 H new ATOM 2197 N HIS A 142 16.809 17.141 13.321 1.00 53.15 N ATOM 2198 CA HIS A 142 17.974 17.999 13.274 1.00 31.10 C ATOM 2199 C HIS A 142 17.763 19.113 12.257 1.00 42.34 C ATOM 2200 O HIS A 142 18.092 18.970 11.083 1.00 64.22 O ATOM 2201 CB HIS A 142 19.226 17.188 12.928 1.00 25.40 C ATOM 2202 CG HIS A 142 20.514 17.879 13.267 1.00 34.24 C ATOM 2203 ND1 HIS A 142 21.451 17.343 14.125 1.00 71.20 N ATOM 2204 CD2 HIS A 142 21.023 19.069 12.857 1.00 74.24 C ATOM 2205 CE1 HIS A 142 22.475 18.170 14.229 1.00 63.43 C ATOM 2206 NE2 HIS A 142 22.240 19.222 13.470 1.00 55.01 N ATOM 0 H HIS A 142 16.891 16.283 12.775 1.00 53.15 H new ATOM 0 HA HIS A 142 18.118 18.446 14.258 1.00 31.10 H new ATOM 0 HB2 HIS A 142 19.187 16.235 13.456 1.00 25.40 H new ATOM 0 HB3 HIS A 142 19.217 16.962 11.862 1.00 25.40 H new ATOM 0 HD1 HIS A 142 21.366 16.447 14.605 1.00 71.20 H new ATOM 0 HD2 HIS A 142 20.557 19.765 12.175 1.00 74.24 H new ATOM 0 HE1 HIS A 142 23.356 18.011 14.833 1.00 63.43 H new ATOM 2215 N HIS A 143 17.174 20.206 12.717 1.00 75.42 N ATOM 2216 CA HIS A 143 17.002 21.402 11.903 1.00 31.52 C ATOM 2217 C HIS A 143 17.211 22.635 12.768 1.00 31.51 C ATOM 2218 O HIS A 143 18.200 23.351 12.617 1.00 12.44 O ATOM 2219 CB HIS A 143 15.607 21.453 11.259 1.00 44.43 C ATOM 2220 CG HIS A 143 15.379 20.429 10.188 1.00 14.23 C ATOM 2221 ND1 HIS A 143 15.691 20.644 8.865 1.00 64.01 N ATOM 2222 CD2 HIS A 143 14.852 19.182 10.247 1.00 65.43 C ATOM 2223 CE1 HIS A 143 15.362 19.580 8.158 1.00 33.02 C ATOM 2224 NE2 HIS A 143 14.850 18.677 8.971 1.00 53.44 N ATOM 0 H HIS A 143 16.802 20.290 13.663 1.00 75.42 H new ATOM 0 HA HIS A 143 17.740 21.376 11.101 1.00 31.52 H new ATOM 0 HB2 HIS A 143 14.856 21.319 12.038 1.00 44.43 H new ATOM 0 HB3 HIS A 143 15.453 22.445 10.834 1.00 44.43 H new ATOM 0 HD2 HIS A 143 14.499 18.678 11.135 1.00 65.43 H new ATOM 0 HE1 HIS A 143 15.491 19.467 7.092 1.00 33.02 H new ATOM 0 HE2 HIS A 143 14.509 17.756 8.697 1.00 53.44 H new ATOM 2233 N HIS A 144 16.274 22.845 13.696 1.00 13.40 N ATOM 2234 CA HIS A 144 16.321 23.962 14.642 1.00 75.01 C ATOM 2235 C HIS A 144 16.244 25.307 13.924 1.00 54.42 C ATOM 2236 O HIS A 144 16.104 25.368 12.700 1.00 40.23 O ATOM 2237 CB HIS A 144 17.573 23.878 15.526 1.00 72.44 C ATOM 2238 CG HIS A 144 17.503 22.792 16.561 1.00 62.43 C ATOM 2239 ND1 HIS A 144 17.673 23.019 17.908 1.00 61.43 N ATOM 2240 CD2 HIS A 144 17.268 21.463 16.436 1.00 4.02 C ATOM 2241 CE1 HIS A 144 17.544 21.881 18.565 1.00 12.25 C ATOM 2242 NE2 HIS A 144 17.296 20.919 17.696 1.00 64.13 N ATOM 0 H HIS A 144 15.459 22.243 13.813 1.00 13.40 H new ATOM 0 HA HIS A 144 15.446 23.886 15.287 1.00 75.01 H new ATOM 0 HB2 HIS A 144 18.444 23.710 14.893 1.00 72.44 H new ATOM 0 HB3 HIS A 144 17.721 24.836 16.025 1.00 72.44 H new ATOM 0 HD2 HIS A 144 17.091 20.930 15.514 1.00 4.02 H new ATOM 0 HE1 HIS A 144 17.627 21.758 19.635 1.00 12.25 H new ATOM 0 HE2 HIS A 144 17.150 19.935 17.923 1.00 64.13 H new ATOM 2251 N HIS A 145 16.309 26.388 14.689 1.00 13.13 N ATOM 2252 CA HIS A 145 16.193 27.728 14.133 1.00 71.44 C ATOM 2253 C HIS A 145 17.131 28.685 14.853 1.00 71.23 C ATOM 2254 O HIS A 145 16.916 29.017 16.018 1.00 3.45 O ATOM 2255 CB HIS A 145 14.751 28.243 14.234 1.00 40.02 C ATOM 2256 CG HIS A 145 13.783 27.525 13.343 1.00 61.20 C ATOM 2257 ND1 HIS A 145 12.877 26.594 13.804 1.00 74.04 N ATOM 2258 CD2 HIS A 145 13.581 27.611 12.006 1.00 20.43 C ATOM 2259 CE1 HIS A 145 12.164 26.137 12.793 1.00 72.05 C ATOM 2260 NE2 HIS A 145 12.570 26.736 11.693 1.00 41.33 N ATOM 0 H HIS A 145 16.442 26.362 15.700 1.00 13.13 H new ATOM 0 HA HIS A 145 16.471 27.678 13.080 1.00 71.44 H new ATOM 0 HB2 HIS A 145 14.415 28.151 15.267 1.00 40.02 H new ATOM 0 HB3 HIS A 145 14.737 29.305 13.987 1.00 40.02 H new ATOM 0 HD2 HIS A 145 14.115 28.248 11.316 1.00 20.43 H new ATOM 0 HE1 HIS A 145 11.380 25.397 12.857 1.00 72.05 H new ATOM 0 HE2 HIS A 145 12.194 26.576 10.758 1.00 41.33 H new ATOM 2269 N HIS A 146 18.182 29.102 14.169 1.00 65.54 N ATOM 2270 CA HIS A 146 19.123 30.061 14.721 1.00 2.25 C ATOM 2271 C HIS A 146 19.509 31.087 13.671 1.00 61.32 C ATOM 2272 O HIS A 146 19.826 30.738 12.534 1.00 61.41 O ATOM 2273 CB HIS A 146 20.376 29.367 15.263 1.00 3.04 C ATOM 2274 CG HIS A 146 20.198 28.794 16.634 1.00 13.24 C ATOM 2275 ND1 HIS A 146 20.721 27.580 17.020 1.00 1.22 N ATOM 2276 CD2 HIS A 146 19.572 29.294 17.723 1.00 24.14 C ATOM 2277 CE1 HIS A 146 20.422 27.357 18.285 1.00 31.24 C ATOM 2278 NE2 HIS A 146 19.725 28.384 18.737 1.00 14.30 N ATOM 0 H HIS A 146 18.406 28.789 13.224 1.00 65.54 H new ATOM 0 HA HIS A 146 18.632 30.567 15.552 1.00 2.25 H new ATOM 0 HB2 HIS A 146 20.663 28.568 14.579 1.00 3.04 H new ATOM 0 HB3 HIS A 146 21.198 30.082 15.281 1.00 3.04 H new ATOM 0 HD2 HIS A 146 19.048 30.236 17.783 1.00 24.14 H new ATOM 0 HE1 HIS A 146 20.700 26.483 18.855 1.00 31.24 H new ATOM 0 HE2 HIS A 146 19.361 28.484 19.684 1.00 14.30 H new ATOM 2287 N HIS A 147 19.455 32.349 14.055 1.00 20.45 N ATOM 2288 CA HIS A 147 19.810 33.444 13.169 1.00 22.32 C ATOM 2289 C HIS A 147 20.573 34.502 13.944 1.00 61.50 C ATOM 2290 O HIS A 147 21.801 34.358 14.093 1.00 37.50 O ATOM 2291 CB HIS A 147 18.563 34.063 12.532 1.00 2.34 C ATOM 2292 CG HIS A 147 17.935 33.205 11.478 1.00 2.12 C ATOM 2293 ND1 HIS A 147 16.911 32.319 11.731 1.00 10.33 N ATOM 2294 CD2 HIS A 147 18.190 33.112 10.155 1.00 71.42 C ATOM 2295 CE1 HIS A 147 16.566 31.719 10.609 1.00 25.12 C ATOM 2296 NE2 HIS A 147 17.326 32.183 9.634 1.00 62.23 N ATOM 2297 OXT HIS A 147 19.939 35.471 14.411 1.00 37.50 O ATOM 0 H HIS A 147 19.165 32.644 14.987 1.00 20.45 H new ATOM 0 HA HIS A 147 20.440 33.050 12.371 1.00 22.32 H new ATOM 0 HB2 HIS A 147 17.828 34.261 13.312 1.00 2.34 H new ATOM 0 HB3 HIS A 147 18.829 35.025 12.094 1.00 2.34 H new ATOM 0 HD2 HIS A 147 18.937 33.667 9.608 1.00 71.42 H new ATOM 0 HE1 HIS A 147 15.792 30.973 10.505 1.00 25.12 H new ATOM 0 HE2 HIS A 147 17.278 31.898 8.656 1.00 62.23 H new TER 2306 HIS A 147