USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1230 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 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 139 THR OG1 : rot 137:sc= 0.027 USER MOD Set 2.1: A 95 SER OG : rot -41:sc= 1.21 USER MOD Set 2.2: A 115 HIS : no HE2:sc= 0.723 K(o=1.9,f=-7.3!) USER MOD Set 2.3: A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 93 ASN : amide:sc= 0.752 K(o=1.9,f=-2.3) USER MOD Set 3.2: A 94 SER OG : rot -68:sc= 1.18 USER MOD Set 4.1: A 33 ASN :FLIP amide:sc= -1.29 F(o=-3.5!,f=-1.2) USER MOD Set 4.2: A 84 ASN : amide:sc= 0.125 K(o=-1.2,f=-7.7!) USER MOD Single : A 1 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.2!) USER MOD Single : A 1 ASN N :NH3+ -164:sc= 0.582 (180deg=0.322) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -5.8! C(o=-5.8!,f=-8.8!) USER MOD Single : A 9 SER OG : rot 45:sc= 0.0506 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0.721 (180deg=0.572) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 113:sc= 1.3 USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= -0.659! (180deg=-2.59!) USER MOD Single : A 22 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 34 ASN : amide:sc= 0.444 K(o=0.44,f=-6.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 18:sc= 0.914 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00676) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= 0.123 (180deg=-1.09!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -1.79 F(o=-4.9!,f=-1.8) USER MOD Single : A 63 HIS : +bothHN:sc= -5.77! C(o=-5.8!,f=-11!) USER MOD Single : A 64 THR OG1 : rot 180:sc=0.000252 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -72:sc= 1.04 USER MOD Single : A 98 THR OG1 : rot 106:sc= 0.974 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -160:sc= 0.613 (180deg=-0.479) USER MOD Single : A 109 THR OG1 : rot -10:sc= 0.401 USER MOD Single : A 116 THR OG1 : rot 140:sc= -0.8 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 124 LYS NZ :NH3+ -168:sc= -0.0505 (180deg=-0.241) USER MOD Single : A 125 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5.4!) USER MOD Single : A 127 LYS NZ :NH3+ 160:sc= -0.0399 (180deg=-0.377) USER MOD Single : A 131 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.1) USER MOD Single : A 142 GLN : amide:sc= -0.0755 X(o=-0.076,f=-0.0058) USER MOD Single : A 143 SER OG : rot -160:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -3.35 K(o=-3.3,f=-7.9!) USER MOD Single : A 147 LYS NZ :NH3+ 162:sc= 1.29 (180deg=0.994) USER MOD Single : A 154 LYS NZ :NH3+ -113:sc= 1.66 (180deg=0.341) USER MOD Single : A 155 LYS NZ :NH3+ 147:sc= 1.01 (180deg=0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.317 12.639 -8.321 1.00 1.65 N ATOM 2 CA ASN A 1 6.180 13.222 -6.965 1.00 1.32 C ATOM 3 C ASN A 1 7.151 12.553 -5.989 1.00 1.24 C ATOM 4 O ASN A 1 7.277 11.328 -5.972 1.00 1.61 O ATOM 5 CB ASN A 1 4.723 13.107 -6.478 1.00 1.23 C ATOM 6 CG ASN A 1 4.212 11.679 -6.384 1.00 1.26 C ATOM 7 OD1 ASN A 1 4.714 10.771 -7.046 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.171 11.487 -5.590 1.00 1.42 N ATOM 0 H1 ASN A 1 5.865 13.267 -9.016 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.325 12.534 -8.553 1.00 1.65 H new ATOM 0 H3 ASN A 1 5.857 11.707 -8.346 1.00 1.65 H new ATOM 0 HA ASN A 1 6.436 14.280 -7.011 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.641 13.576 -5.498 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.079 13.668 -7.155 1.00 1.23 H new ATOM 0 HD21 ASN A 1 2.755 10.559 -5.510 1.00 1.42 H new ATOM 0 HD22 ASN A 1 2.785 12.267 -5.058 1.00 1.42 H new ATOM 17 N TYR A 2 7.859 13.381 -5.210 1.00 1.16 N ATOM 18 CA TYR A 2 8.864 12.925 -4.237 1.00 1.12 C ATOM 19 C TYR A 2 9.590 14.125 -3.639 1.00 1.22 C ATOM 20 O TYR A 2 9.911 14.131 -2.457 1.00 1.20 O ATOM 21 CB TYR A 2 9.891 11.958 -4.869 1.00 1.31 C ATOM 22 CG TYR A 2 10.766 12.557 -5.956 1.00 1.67 C ATOM 23 CD1 TYR A 2 11.966 13.185 -5.644 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.397 12.482 -7.290 1.00 1.84 C ATOM 25 CE1 TYR A 2 12.767 13.725 -6.630 1.00 2.90 C ATOM 26 CE2 TYR A 2 11.193 13.019 -8.282 1.00 2.43 C ATOM 27 CZ TYR A 2 12.376 13.640 -7.947 1.00 2.97 C ATOM 28 OH TYR A 2 13.169 14.178 -8.935 1.00 3.73 O ATOM 0 H TYR A 2 7.751 14.395 -5.236 1.00 1.16 H new ATOM 0 HA TYR A 2 8.336 12.381 -3.454 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.535 11.572 -4.079 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.354 11.106 -5.287 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.277 13.252 -4.612 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.471 11.995 -7.558 1.00 1.84 H new ATOM 0 HE1 TYR A 2 13.695 14.212 -6.370 1.00 2.90 H new ATOM 0 HE2 TYR A 2 10.889 12.952 -9.316 1.00 2.43 H new ATOM 0 HH TYR A 2 12.749 14.031 -9.808 1.00 3.73 H new ATOM 38 N ASP A 3 9.817 15.150 -4.460 1.00 1.44 N ATOM 39 CA ASP A 3 10.621 16.299 -4.043 1.00 1.65 C ATOM 40 C ASP A 3 9.914 17.115 -2.956 1.00 1.53 C ATOM 41 O ASP A 3 10.467 17.294 -1.873 1.00 1.62 O ATOM 42 CB ASP A 3 10.975 17.180 -5.247 1.00 1.99 C ATOM 43 CG ASP A 3 11.882 18.335 -4.876 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.095 18.104 -4.695 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.394 19.482 -4.786 1.00 2.63 O ATOM 0 H ASP A 3 9.458 15.209 -5.413 1.00 1.44 H new ATOM 0 HA ASP A 3 11.548 15.917 -3.615 1.00 1.65 H new ATOM 0 HB2 ASP A 3 11.462 16.570 -6.008 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.058 17.570 -5.689 1.00 1.99 H new ATOM 50 N PRO A 4 8.687 17.626 -3.204 1.00 1.46 N ATOM 51 CA PRO A 4 7.931 18.306 -2.168 1.00 1.45 C ATOM 52 C PRO A 4 7.179 17.319 -1.277 1.00 1.27 C ATOM 53 O PRO A 4 7.437 17.232 -0.075 1.00 1.34 O ATOM 54 CB PRO A 4 6.965 19.197 -2.950 1.00 1.61 C ATOM 55 CG PRO A 4 6.798 18.546 -4.286 1.00 1.63 C ATOM 56 CD PRO A 4 7.962 17.606 -4.489 1.00 1.52 C ATOM 0 HA PRO A 4 8.570 18.869 -1.488 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.008 19.282 -2.435 1.00 1.61 H new ATOM 0 HB3 PRO A 4 7.362 20.207 -3.054 1.00 1.61 H new ATOM 0 HG2 PRO A 4 5.855 18.002 -4.331 1.00 1.63 H new ATOM 0 HG3 PRO A 4 6.770 19.296 -5.076 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.621 16.601 -4.736 1.00 1.52 H new ATOM 0 HD3 PRO A 4 8.600 17.936 -5.309 1.00 1.52 H new ATOM 64 N PHE A 5 6.239 16.587 -1.867 1.00 1.17 N ATOM 65 CA PHE A 5 5.497 15.564 -1.146 1.00 1.11 C ATOM 66 C PHE A 5 4.977 14.490 -2.102 1.00 0.94 C ATOM 67 O PHE A 5 4.540 14.798 -3.216 1.00 1.01 O ATOM 68 CB PHE A 5 4.331 16.191 -0.363 1.00 1.40 C ATOM 69 CG PHE A 5 3.324 16.909 -1.220 1.00 1.63 C ATOM 70 CD1 PHE A 5 3.562 18.204 -1.655 1.00 1.75 C ATOM 71 CD2 PHE A 5 2.140 16.292 -1.591 1.00 2.34 C ATOM 72 CE1 PHE A 5 2.640 18.867 -2.440 1.00 2.39 C ATOM 73 CE2 PHE A 5 1.215 16.951 -2.376 1.00 3.21 C ATOM 74 CZ PHE A 5 1.462 18.231 -2.804 1.00 3.19 C ATOM 0 H PHE A 5 5.974 16.686 -2.847 1.00 1.17 H new ATOM 0 HA PHE A 5 6.178 15.091 -0.438 1.00 1.11 H new ATOM 0 HB2 PHE A 5 3.821 15.407 0.196 1.00 1.40 H new ATOM 0 HB3 PHE A 5 4.735 16.892 0.367 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.480 18.700 -1.376 1.00 1.75 H new ATOM 0 HD2 PHE A 5 1.938 15.283 -1.262 1.00 2.34 H new ATOM 0 HE1 PHE A 5 2.835 19.877 -2.769 1.00 2.39 H new ATOM 0 HE2 PHE A 5 0.295 16.458 -2.654 1.00 3.21 H new ATOM 0 HZ PHE A 5 0.740 18.743 -3.423 1.00 3.19 H new ATOM 84 N VAL A 6 5.057 13.235 -1.685 1.00 0.85 N ATOM 85 CA VAL A 6 4.364 12.160 -2.378 1.00 0.79 C ATOM 86 C VAL A 6 2.968 12.012 -1.794 1.00 0.69 C ATOM 87 O VAL A 6 2.803 11.782 -0.597 1.00 0.77 O ATOM 88 CB VAL A 6 5.100 10.807 -2.262 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.281 9.685 -2.880 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.470 10.887 -2.905 1.00 1.41 C ATOM 0 H VAL A 6 5.594 12.937 -0.871 1.00 0.85 H new ATOM 0 HA VAL A 6 4.325 12.425 -3.435 1.00 0.79 H new ATOM 0 HB VAL A 6 5.230 10.584 -1.203 1.00 0.92 H new ATOM 0 HG11 VAL A 6 4.823 8.744 -2.784 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.324 9.607 -2.364 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.109 9.899 -3.935 1.00 1.44 H new ATOM 0 HG21 VAL A 6 6.972 9.924 -2.813 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.363 11.141 -3.960 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.062 11.654 -2.406 1.00 1.41 H new ATOM 100 N ARG A 7 1.967 12.160 -2.633 1.00 0.64 N ATOM 101 CA ARG A 7 0.592 12.095 -2.189 1.00 0.56 C ATOM 102 C ARG A 7 -0.170 11.053 -2.980 1.00 0.54 C ATOM 103 O ARG A 7 -0.095 11.015 -4.207 1.00 0.64 O ATOM 104 CB ARG A 7 -0.054 13.468 -2.365 1.00 0.57 C ATOM 105 CG ARG A 7 -1.498 13.572 -1.890 1.00 0.57 C ATOM 106 CD ARG A 7 -2.040 14.963 -2.193 1.00 0.71 C ATOM 107 NE ARG A 7 -3.261 15.278 -1.458 1.00 1.61 N ATOM 108 CZ ARG A 7 -3.701 16.520 -1.250 1.00 2.25 C ATOM 109 NH1 ARG A 7 -3.059 17.555 -1.778 1.00 2.26 N ATOM 110 NH2 ARG A 7 -4.797 16.716 -0.534 1.00 3.37 N ATOM 0 H ARG A 7 2.081 12.327 -3.633 1.00 0.64 H new ATOM 0 HA ARG A 7 0.565 11.811 -1.137 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.543 14.204 -1.826 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -0.015 13.737 -3.421 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -2.109 12.817 -2.385 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.554 13.375 -0.819 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -1.277 15.703 -1.952 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -2.236 15.044 -3.262 1.00 0.71 H new ATOM 0 HE ARG A 7 -3.809 14.504 -1.082 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -2.225 17.402 -2.346 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -3.399 18.503 -1.616 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -5.301 15.919 -0.144 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -5.138 17.664 -0.372 1.00 3.37 H new ATOM 124 N HIS A 8 -0.880 10.189 -2.282 1.00 0.47 N ATOM 125 CA HIS A 8 -1.763 9.254 -2.949 1.00 0.46 C ATOM 126 C HIS A 8 -3.191 9.646 -2.664 1.00 0.39 C ATOM 127 O HIS A 8 -3.570 9.858 -1.518 1.00 0.39 O ATOM 128 CB HIS A 8 -1.428 7.804 -2.521 1.00 0.56 C ATOM 129 CG HIS A 8 -2.573 6.838 -2.326 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.591 5.905 -1.308 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.700 6.615 -3.042 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.670 5.154 -1.410 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.361 5.564 -2.451 1.00 0.76 N ATOM 0 H HIS A 8 -0.864 10.115 -1.265 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.622 9.290 -4.029 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.759 7.381 -3.270 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.870 7.853 -1.586 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -4.021 7.162 -3.916 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -3.940 4.342 -0.752 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.245 5.166 -2.769 1.00 0.76 H new ATOM 142 N SER A 9 -3.973 9.716 -3.714 1.00 0.42 N ATOM 143 CA SER A 9 -5.357 10.076 -3.593 1.00 0.40 C ATOM 144 C SER A 9 -6.219 9.150 -4.420 1.00 0.41 C ATOM 145 O SER A 9 -6.166 9.136 -5.650 1.00 0.53 O ATOM 146 CB SER A 9 -5.556 11.537 -3.988 1.00 0.52 C ATOM 147 OG SER A 9 -4.885 11.829 -5.201 1.00 1.28 O ATOM 0 H SER A 9 -3.667 9.526 -4.668 1.00 0.42 H new ATOM 0 HA SER A 9 -5.665 9.967 -2.553 1.00 0.40 H new ATOM 0 HB2 SER A 9 -6.620 11.747 -4.097 1.00 0.52 H new ATOM 0 HB3 SER A 9 -5.183 12.186 -3.196 1.00 0.52 H new ATOM 0 HG SER A 9 -5.057 11.115 -5.850 1.00 1.28 H new ATOM 153 N VAL A 10 -6.978 8.348 -3.715 1.00 0.35 N ATOM 154 CA VAL A 10 -7.855 7.377 -4.338 1.00 0.36 C ATOM 155 C VAL A 10 -9.311 7.611 -3.959 1.00 0.32 C ATOM 156 O VAL A 10 -9.631 7.833 -2.790 1.00 0.32 O ATOM 157 CB VAL A 10 -7.430 5.947 -3.948 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.613 4.994 -3.937 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.354 5.453 -4.899 1.00 1.18 C ATOM 0 H VAL A 10 -7.008 8.347 -2.695 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.768 7.497 -5.418 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.028 5.976 -2.935 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.274 3.996 -3.658 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.353 5.341 -3.216 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.062 4.960 -4.930 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.057 4.442 -4.619 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.743 5.448 -5.917 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.489 6.114 -4.844 1.00 1.18 H new ATOM 169 N THR A 11 -10.178 7.583 -4.963 1.00 0.35 N ATOM 170 CA THR A 11 -11.607 7.649 -4.741 1.00 0.34 C ATOM 171 C THR A 11 -12.195 6.236 -4.728 1.00 0.33 C ATOM 172 O THR A 11 -12.173 5.527 -5.735 1.00 0.43 O ATOM 173 CB THR A 11 -12.289 8.492 -5.837 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.633 9.765 -5.955 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.763 8.706 -5.525 1.00 0.51 C ATOM 0 H THR A 11 -9.908 7.514 -5.944 1.00 0.35 H new ATOM 0 HA THR A 11 -11.788 8.124 -3.777 1.00 0.34 H new ATOM 0 HB THR A 11 -12.210 7.950 -6.779 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.070 10.295 -6.654 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.219 9.304 -6.314 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.266 7.741 -5.464 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.861 9.227 -4.573 1.00 0.51 H new ATOM 183 N VAL A 12 -12.720 5.845 -3.580 1.00 0.29 N ATOM 184 CA VAL A 12 -13.252 4.506 -3.371 1.00 0.35 C ATOM 185 C VAL A 12 -14.769 4.491 -3.522 1.00 0.32 C ATOM 186 O VAL A 12 -15.452 5.417 -3.081 1.00 0.36 O ATOM 187 CB VAL A 12 -12.823 4.001 -1.977 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.728 2.897 -1.451 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.384 3.529 -2.053 1.00 0.81 C ATOM 0 H VAL A 12 -12.790 6.449 -2.761 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.848 3.836 -4.130 1.00 0.35 H new ATOM 0 HB VAL A 12 -12.912 4.826 -1.271 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.381 2.579 -0.468 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.749 3.270 -1.372 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.704 2.049 -2.136 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.067 3.169 -1.074 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.304 2.721 -2.780 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.745 4.357 -2.359 1.00 0.81 H new ATOM 199 N LYS A 13 -15.282 3.429 -4.141 1.00 0.34 N ATOM 200 CA LYS A 13 -16.686 3.364 -4.537 1.00 0.38 C ATOM 201 C LYS A 13 -17.522 2.550 -3.551 1.00 0.31 C ATOM 202 O LYS A 13 -18.675 2.241 -3.837 1.00 0.37 O ATOM 203 CB LYS A 13 -16.826 2.707 -5.916 1.00 0.58 C ATOM 204 CG LYS A 13 -15.636 2.884 -6.850 1.00 0.68 C ATOM 205 CD LYS A 13 -15.378 4.339 -7.201 1.00 0.97 C ATOM 206 CE LYS A 13 -14.601 4.457 -8.505 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.377 3.929 -9.665 1.00 0.98 N ATOM 0 H LYS A 13 -14.742 2.598 -4.380 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.048 4.392 -4.557 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -17.000 1.640 -5.775 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.712 3.112 -6.404 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -14.746 2.464 -6.381 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -15.811 2.319 -7.766 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -16.326 4.869 -7.290 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.820 4.817 -6.396 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -14.348 5.502 -8.683 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.661 3.911 -8.418 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.874 4.149 -10.548 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.480 2.898 -9.573 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -16.318 4.371 -9.683 1.00 0.98 H new ATOM 221 N ALA A 14 -16.955 2.193 -2.404 1.00 0.29 N ATOM 222 CA ALA A 14 -17.658 1.302 -1.484 1.00 0.30 C ATOM 223 C ALA A 14 -17.284 1.556 -0.027 1.00 0.28 C ATOM 224 O ALA A 14 -17.180 0.619 0.768 1.00 0.31 O ATOM 225 CB ALA A 14 -17.381 -0.145 -1.859 1.00 0.36 C ATOM 0 H ALA A 14 -16.033 2.497 -2.092 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.724 1.508 -1.576 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.907 -0.806 -1.171 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.727 -0.330 -2.876 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.310 -0.338 -1.800 1.00 0.36 H new ATOM 231 N ASP A 15 -17.096 2.825 0.307 1.00 0.28 N ATOM 232 CA ASP A 15 -16.889 3.269 1.695 1.00 0.31 C ATOM 233 C ASP A 15 -15.493 2.921 2.227 1.00 0.28 C ATOM 234 O ASP A 15 -14.761 2.106 1.652 1.00 0.29 O ATOM 235 CB ASP A 15 -17.985 2.702 2.619 1.00 0.39 C ATOM 236 CG ASP A 15 -17.846 3.151 4.064 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.287 2.384 4.876 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.271 4.276 4.387 1.00 0.76 O ATOM 0 H ASP A 15 -17.081 3.585 -0.373 1.00 0.28 H new ATOM 0 HA ASP A 15 -16.960 4.357 1.691 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -18.961 3.008 2.243 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -17.956 1.613 2.580 1.00 0.39 H new ATOM 243 N ARG A 16 -15.155 3.560 3.339 1.00 0.28 N ATOM 244 CA ARG A 16 -13.846 3.469 3.969 1.00 0.27 C ATOM 245 C ARG A 16 -13.555 2.048 4.433 1.00 0.28 C ATOM 246 O ARG A 16 -12.397 1.623 4.459 1.00 0.28 O ATOM 247 CB ARG A 16 -13.821 4.439 5.151 1.00 0.29 C ATOM 248 CG ARG A 16 -12.446 4.862 5.619 1.00 0.28 C ATOM 249 CD ARG A 16 -12.540 6.145 6.433 1.00 0.40 C ATOM 250 NE ARG A 16 -13.682 6.129 7.349 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.761 6.863 8.455 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.764 7.668 8.785 1.00 1.37 N ATOM 253 NH2 ARG A 16 -14.844 6.807 9.218 1.00 1.88 N ATOM 0 H ARG A 16 -15.800 4.171 3.840 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.072 3.733 3.248 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.383 5.332 4.877 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.344 3.977 5.988 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.000 4.071 6.223 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.792 5.015 4.760 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.620 6.282 7.002 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.628 6.997 5.759 1.00 0.40 H new ATOM 0 HE ARG A 16 -14.466 5.516 7.125 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.937 7.725 8.191 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.823 8.232 9.633 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -15.621 6.199 8.957 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -14.900 7.372 10.066 1.00 1.88 H new ATOM 267 N LYS A 17 -14.611 1.320 4.789 1.00 0.33 N ATOM 268 CA LYS A 17 -14.485 -0.073 5.198 1.00 0.39 C ATOM 269 C LYS A 17 -13.795 -0.887 4.108 1.00 0.35 C ATOM 270 O LYS A 17 -12.848 -1.629 4.371 1.00 0.37 O ATOM 271 CB LYS A 17 -15.870 -0.664 5.512 1.00 0.53 C ATOM 272 CG LYS A 17 -16.841 -0.625 4.335 1.00 1.34 C ATOM 273 CD LYS A 17 -18.188 -1.230 4.685 1.00 1.70 C ATOM 274 CE LYS A 17 -19.121 -1.215 3.482 1.00 2.46 C ATOM 275 NZ LYS A 17 -20.410 -1.890 3.767 1.00 3.05 N ATOM 0 H LYS A 17 -15.567 1.676 4.802 1.00 0.33 H new ATOM 0 HA LYS A 17 -13.875 -0.116 6.100 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -15.748 -1.698 5.836 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.306 -0.118 6.348 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.980 0.408 4.015 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -16.410 -1.165 3.492 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -18.052 -2.254 5.031 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.639 -0.673 5.506 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -19.311 -0.184 3.184 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -18.634 -1.706 2.640 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -21.014 -1.856 2.921 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -20.233 -2.881 4.027 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -20.889 -1.406 4.554 1.00 3.05 H new ATOM 289 N THR A 18 -14.249 -0.706 2.876 1.00 0.35 N ATOM 290 CA THR A 18 -13.722 -1.430 1.750 1.00 0.36 C ATOM 291 C THR A 18 -12.353 -0.888 1.357 1.00 0.33 C ATOM 292 O THR A 18 -11.482 -1.638 0.923 1.00 0.37 O ATOM 293 CB THR A 18 -14.686 -1.321 0.561 1.00 0.41 C ATOM 294 OG1 THR A 18 -16.007 -1.702 0.973 1.00 1.11 O ATOM 295 CG2 THR A 18 -14.236 -2.202 -0.581 1.00 0.80 C ATOM 0 H THR A 18 -14.994 -0.051 2.639 1.00 0.35 H new ATOM 0 HA THR A 18 -13.614 -2.477 2.032 1.00 0.36 H new ATOM 0 HB THR A 18 -14.692 -0.287 0.217 1.00 0.41 H new ATOM 0 HG1 THR A 18 -16.598 -0.921 0.938 1.00 1.11 H new ATOM 0 HG21 THR A 18 -14.936 -2.107 -1.411 1.00 0.80 H new ATOM 0 HG22 THR A 18 -13.242 -1.896 -0.907 1.00 0.80 H new ATOM 0 HG23 THR A 18 -14.205 -3.240 -0.250 1.00 0.80 H new ATOM 303 N ALA A 19 -12.167 0.415 1.528 1.00 0.29 N ATOM 304 CA ALA A 19 -10.902 1.055 1.195 1.00 0.29 C ATOM 305 C ALA A 19 -9.761 0.466 2.019 1.00 0.28 C ATOM 306 O ALA A 19 -8.729 0.077 1.476 1.00 0.32 O ATOM 307 CB ALA A 19 -10.996 2.557 1.412 1.00 0.31 C ATOM 0 H ALA A 19 -12.877 1.049 1.895 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.691 0.868 0.142 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.043 3.022 1.159 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.780 2.968 0.776 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.232 2.760 2.457 1.00 0.31 H new ATOM 313 N PHE A 20 -9.964 0.384 3.327 1.00 0.25 N ATOM 314 CA PHE A 20 -8.956 -0.178 4.218 1.00 0.26 C ATOM 315 C PHE A 20 -8.828 -1.681 4.009 1.00 0.31 C ATOM 316 O PHE A 20 -7.719 -2.215 3.964 1.00 0.33 O ATOM 317 CB PHE A 20 -9.306 0.126 5.675 1.00 0.28 C ATOM 318 CG PHE A 20 -8.487 -0.642 6.674 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.245 -0.181 7.073 1.00 0.33 C ATOM 320 CD2 PHE A 20 -8.967 -1.823 7.216 1.00 0.34 C ATOM 321 CE1 PHE A 20 -6.496 -0.882 7.998 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.221 -2.530 8.140 1.00 0.38 C ATOM 323 CZ PHE A 20 -6.986 -2.058 8.533 1.00 0.38 C ATOM 0 H PHE A 20 -10.814 0.698 3.794 1.00 0.25 H new ATOM 0 HA PHE A 20 -7.997 0.284 3.983 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.173 1.193 5.855 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.361 -0.096 5.838 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -6.857 0.737 6.657 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -9.935 -2.195 6.913 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -5.528 -0.511 8.303 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -8.605 -3.451 8.554 1.00 0.38 H new ATOM 0 HZ PHE A 20 -6.403 -2.607 9.258 1.00 0.38 H new ATOM 333 N LYS A 21 -9.966 -2.355 3.886 1.00 0.35 N ATOM 334 CA LYS A 21 -9.982 -3.790 3.626 1.00 0.42 C ATOM 335 C LYS A 21 -9.140 -4.111 2.396 1.00 0.44 C ATOM 336 O LYS A 21 -8.252 -4.955 2.445 1.00 0.49 O ATOM 337 CB LYS A 21 -11.421 -4.275 3.422 1.00 0.49 C ATOM 338 CG LYS A 21 -11.535 -5.729 2.976 1.00 0.64 C ATOM 339 CD LYS A 21 -11.101 -6.711 4.059 1.00 1.24 C ATOM 340 CE LYS A 21 -12.157 -6.896 5.148 1.00 1.79 C ATOM 341 NZ LYS A 21 -12.310 -5.699 6.018 1.00 2.39 N ATOM 0 H LYS A 21 -10.890 -1.930 3.962 1.00 0.35 H new ATOM 0 HA LYS A 21 -9.557 -4.306 4.487 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -11.970 -4.149 4.355 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -11.904 -3.640 2.679 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -12.567 -5.938 2.693 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -10.924 -5.881 2.087 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.884 -7.676 3.602 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -10.175 -6.358 4.513 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -13.115 -7.125 4.682 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -11.889 -7.754 5.764 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -12.652 -5.993 6.955 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.391 -5.223 6.118 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -12.995 -5.044 5.590 1.00 2.39 H new ATOM 355 N THR A 22 -9.410 -3.408 1.310 1.00 0.43 N ATOM 356 CA THR A 22 -8.690 -3.609 0.065 1.00 0.48 C ATOM 357 C THR A 22 -7.204 -3.270 0.221 1.00 0.49 C ATOM 358 O THR A 22 -6.338 -3.999 -0.258 1.00 0.68 O ATOM 359 CB THR A 22 -9.319 -2.753 -1.053 1.00 0.48 C ATOM 360 OG1 THR A 22 -10.710 -3.077 -1.167 1.00 0.48 O ATOM 361 CG2 THR A 22 -8.634 -2.977 -2.392 1.00 0.58 C ATOM 0 H THR A 22 -10.130 -2.686 1.266 1.00 0.43 H new ATOM 0 HA THR A 22 -8.766 -4.662 -0.205 1.00 0.48 H new ATOM 0 HB THR A 22 -9.192 -1.704 -0.787 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.185 -2.763 -0.369 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.108 -2.355 -3.152 1.00 0.58 H new ATOM 0 HG22 THR A 22 -7.580 -2.711 -2.311 1.00 0.58 H new ATOM 0 HG23 THR A 22 -8.722 -4.026 -2.675 1.00 0.58 H new ATOM 369 N PHE A 23 -6.921 -2.190 0.929 1.00 0.37 N ATOM 370 CA PHE A 23 -5.558 -1.695 1.060 1.00 0.38 C ATOM 371 C PHE A 23 -4.689 -2.608 1.926 1.00 0.38 C ATOM 372 O PHE A 23 -3.569 -2.947 1.546 1.00 0.43 O ATOM 373 CB PHE A 23 -5.576 -0.274 1.644 1.00 0.37 C ATOM 374 CG PHE A 23 -4.224 0.379 1.712 1.00 0.39 C ATOM 375 CD1 PHE A 23 -3.671 0.988 0.594 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.507 0.388 2.899 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.430 1.592 0.664 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.266 0.990 2.972 1.00 0.45 C ATOM 379 CZ PHE A 23 -1.726 1.592 1.853 1.00 0.48 C ATOM 0 H PHE A 23 -7.619 -1.636 1.425 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.116 -1.681 0.064 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.238 0.347 1.040 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.001 -0.310 2.647 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.215 0.990 -0.339 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -3.924 -0.082 3.777 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.010 2.065 -0.212 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.719 0.990 3.903 1.00 0.45 H new ATOM 0 HZ PHE A 23 -0.755 2.062 1.907 1.00 0.48 H new ATOM 389 N LEU A 24 -5.195 -3.017 3.085 1.00 0.35 N ATOM 390 CA LEU A 24 -4.334 -3.652 4.074 1.00 0.37 C ATOM 391 C LEU A 24 -4.740 -5.086 4.429 1.00 0.39 C ATOM 392 O LEU A 24 -3.989 -5.795 5.097 1.00 0.48 O ATOM 393 CB LEU A 24 -4.310 -2.810 5.344 1.00 0.40 C ATOM 394 CG LEU A 24 -3.088 -3.030 6.223 1.00 0.42 C ATOM 395 CD1 LEU A 24 -1.861 -2.409 5.571 1.00 0.50 C ATOM 396 CD2 LEU A 24 -3.324 -2.469 7.612 1.00 0.44 C ATOM 0 H LEU A 24 -6.173 -2.923 3.358 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.345 -3.714 3.619 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -4.358 -1.757 5.068 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.205 -3.028 5.927 1.00 0.40 H new ATOM 0 HG LEU A 24 -2.911 -4.100 6.328 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -0.990 -2.571 6.206 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -1.692 -2.872 4.599 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.021 -1.339 5.440 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -2.439 -2.635 8.227 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -3.522 -1.399 7.544 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -4.180 -2.968 8.065 1.00 0.44 H new ATOM 408 N GLU A 25 -5.914 -5.528 4.021 1.00 0.40 N ATOM 409 CA GLU A 25 -6.361 -6.861 4.418 1.00 0.46 C ATOM 410 C GLU A 25 -6.464 -7.790 3.219 1.00 0.54 C ATOM 411 O GLU A 25 -6.079 -8.954 3.283 1.00 1.01 O ATOM 412 CB GLU A 25 -7.694 -6.783 5.159 1.00 0.51 C ATOM 413 CG GLU A 25 -7.654 -5.869 6.375 1.00 0.66 C ATOM 414 CD GLU A 25 -8.884 -6.006 7.242 1.00 0.91 C ATOM 415 OE1 GLU A 25 -8.859 -6.811 8.194 1.00 1.24 O ATOM 416 OE2 GLU A 25 -9.881 -5.302 6.975 1.00 1.18 O ATOM 0 H GLU A 25 -6.563 -5.006 3.432 1.00 0.40 H new ATOM 0 HA GLU A 25 -5.614 -7.276 5.095 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.463 -6.429 4.472 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -7.985 -7.785 5.475 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -6.768 -6.097 6.968 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -7.559 -4.834 6.045 1.00 0.66 H new ATOM 423 N GLY A 26 -6.933 -7.241 2.119 1.00 0.37 N ATOM 424 CA GLY A 26 -7.127 -8.021 0.903 1.00 0.45 C ATOM 425 C GLY A 26 -5.918 -7.945 0.003 1.00 0.48 C ATOM 426 O GLY A 26 -6.018 -8.077 -1.213 1.00 0.83 O ATOM 0 H GLY A 26 -7.189 -6.257 2.036 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.324 -9.061 1.163 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.004 -7.654 0.369 1.00 0.45 H new ATOM 430 N PHE A 27 -4.772 -7.776 0.638 1.00 0.42 N ATOM 431 CA PHE A 27 -3.512 -7.492 -0.029 1.00 0.44 C ATOM 432 C PHE A 27 -3.253 -8.404 -1.242 1.00 0.47 C ATOM 433 O PHE A 27 -3.039 -7.907 -2.344 1.00 0.53 O ATOM 434 CB PHE A 27 -2.379 -7.601 1.002 1.00 0.48 C ATOM 435 CG PHE A 27 -1.028 -7.204 0.489 1.00 0.49 C ATOM 436 CD1 PHE A 27 -0.771 -5.892 0.129 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.016 -8.142 0.366 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.473 -5.522 -0.344 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.230 -7.778 -0.107 1.00 0.74 C ATOM 440 CZ PHE A 27 1.477 -6.469 -0.457 1.00 0.71 C ATOM 0 H PHE A 27 -4.689 -7.833 1.653 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.558 -6.480 -0.432 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.625 -6.976 1.860 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.329 -8.629 1.360 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.551 -5.150 0.219 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.203 -9.169 0.643 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.662 -4.497 -0.625 1.00 0.65 H new ATOM 0 HE2 PHE A 27 2.010 -8.519 -0.202 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.453 -6.181 -0.819 1.00 0.71 H new ATOM 450 N PRO A 28 -3.282 -9.742 -1.079 1.00 0.49 N ATOM 451 CA PRO A 28 -2.881 -10.666 -2.144 1.00 0.57 C ATOM 452 C PRO A 28 -4.022 -11.193 -3.026 1.00 0.59 C ATOM 453 O PRO A 28 -3.870 -12.242 -3.659 1.00 0.76 O ATOM 454 CB PRO A 28 -2.320 -11.807 -1.316 1.00 0.73 C ATOM 455 CG PRO A 28 -3.266 -11.905 -0.171 1.00 0.74 C ATOM 456 CD PRO A 28 -3.656 -10.485 0.149 1.00 0.52 C ATOM 0 HA PRO A 28 -2.215 -10.188 -2.862 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.282 -12.735 -1.886 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.304 -11.598 -0.980 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.139 -12.503 -0.433 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.796 -12.386 0.687 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.722 -10.399 0.362 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.125 -10.110 1.024 1.00 0.52 H new ATOM 464 N GLU A 29 -5.157 -10.507 -3.089 1.00 0.54 N ATOM 465 CA GLU A 29 -6.294 -11.076 -3.816 1.00 0.67 C ATOM 466 C GLU A 29 -6.784 -10.210 -4.982 1.00 0.69 C ATOM 467 O GLU A 29 -7.474 -10.716 -5.868 1.00 0.85 O ATOM 468 CB GLU A 29 -7.459 -11.373 -2.865 1.00 0.85 C ATOM 469 CG GLU A 29 -8.106 -10.138 -2.267 1.00 0.90 C ATOM 470 CD GLU A 29 -9.312 -10.473 -1.414 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.165 -10.582 -0.177 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.417 -10.627 -1.975 1.00 1.49 O ATOM 0 H GLU A 29 -5.317 -9.593 -2.666 1.00 0.54 H new ATOM 0 HA GLU A 29 -5.923 -12.004 -4.251 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.217 -11.941 -3.404 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.099 -12.009 -2.056 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.373 -9.604 -1.662 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.408 -9.465 -3.069 1.00 0.90 H new ATOM 479 N TRP A 30 -6.442 -8.929 -5.004 1.00 0.64 N ATOM 480 CA TRP A 30 -6.986 -8.037 -6.029 1.00 0.81 C ATOM 481 C TRP A 30 -6.320 -8.236 -7.393 1.00 0.66 C ATOM 482 O TRP A 30 -5.511 -9.143 -7.585 1.00 0.74 O ATOM 483 CB TRP A 30 -6.873 -6.578 -5.595 1.00 1.07 C ATOM 484 CG TRP A 30 -7.313 -6.354 -4.186 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.577 -5.796 -3.187 1.00 0.50 C ATOM 486 CD2 TRP A 30 -8.580 -6.705 -3.606 1.00 2.35 C ATOM 487 NE1 TRP A 30 -7.306 -5.767 -2.029 1.00 0.80 N ATOM 488 CE2 TRP A 30 -8.538 -6.320 -2.257 1.00 2.05 C ATOM 489 CE3 TRP A 30 -9.743 -7.301 -4.096 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -9.614 -6.510 -1.391 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -10.811 -7.491 -3.238 1.00 4.62 C ATOM 492 CH2 TRP A 30 -10.740 -7.097 -1.899 1.00 4.29 C ATOM 0 H TRP A 30 -5.805 -8.487 -4.341 1.00 0.64 H new ATOM 0 HA TRP A 30 -8.039 -8.296 -6.141 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -5.839 -6.251 -5.703 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -7.474 -5.959 -6.261 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -5.566 -5.430 -3.292 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.983 -5.393 -1.137 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -9.808 -7.609 -5.129 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -9.560 -6.205 -0.356 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -11.715 -7.951 -3.609 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -11.590 -7.259 -1.253 1.00 4.29 H new ATOM 503 N TRP A 31 -6.670 -7.358 -8.328 1.00 0.55 N ATOM 504 CA TRP A 31 -6.269 -7.485 -9.730 1.00 0.57 C ATOM 505 C TRP A 31 -4.810 -7.079 -10.048 1.00 0.60 C ATOM 506 O TRP A 31 -4.206 -7.698 -10.923 1.00 0.74 O ATOM 507 CB TRP A 31 -7.191 -6.635 -10.610 1.00 0.74 C ATOM 508 CG TRP A 31 -8.652 -6.875 -10.393 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.574 -5.966 -9.960 1.00 0.69 C ATOM 510 CD2 TRP A 31 -9.363 -8.101 -10.595 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.816 -6.546 -9.893 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.711 -7.860 -10.272 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.989 -9.381 -11.019 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.684 -8.850 -10.363 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.958 -10.362 -11.107 1.00 2.53 C ATOM 516 CH2 TRP A 31 -11.291 -10.091 -10.780 1.00 2.78 C ATOM 0 H TRP A 31 -7.241 -6.535 -8.137 1.00 0.55 H new ATOM 0 HA TRP A 31 -6.348 -8.552 -9.940 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.978 -5.582 -10.427 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.955 -6.830 -11.656 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.357 -4.939 -9.707 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.676 -6.077 -9.608 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.962 -9.598 -11.273 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.714 -8.645 -10.113 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -9.682 -11.354 -11.433 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -12.025 -10.879 -10.859 1.00 2.78 H new ATOM 527 N PRO A 32 -4.215 -6.050 -9.382 1.00 0.71 N ATOM 528 CA PRO A 32 -3.010 -5.373 -9.908 1.00 0.84 C ATOM 529 C PRO A 32 -1.719 -6.193 -9.827 1.00 0.85 C ATOM 530 O PRO A 32 -1.664 -7.355 -10.231 1.00 1.36 O ATOM 531 CB PRO A 32 -2.900 -4.137 -9.013 1.00 1.01 C ATOM 532 CG PRO A 32 -3.514 -4.542 -7.722 1.00 0.92 C ATOM 533 CD PRO A 32 -4.618 -5.492 -8.071 1.00 0.87 C ATOM 0 HA PRO A 32 -3.117 -5.174 -10.974 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.860 -3.838 -8.879 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.423 -3.286 -9.449 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.779 -5.019 -7.073 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.900 -3.676 -7.184 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.722 -6.275 -7.320 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.579 -4.981 -8.134 1.00 0.87 H new ATOM 541 N ASN A 33 -0.675 -5.552 -9.306 1.00 0.53 N ATOM 542 CA ASN A 33 0.656 -6.147 -9.194 1.00 0.57 C ATOM 543 C ASN A 33 0.645 -7.295 -8.190 1.00 0.67 C ATOM 544 O ASN A 33 1.601 -8.060 -8.075 1.00 0.72 O ATOM 545 CB ASN A 33 1.645 -5.053 -8.759 1.00 0.60 C ATOM 546 CG ASN A 33 3.066 -5.546 -8.581 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.441 -5.821 -7.342 1.00 1.51 O flip ATOM 548 ND2 ASN A 33 3.833 -5.634 -9.534 1.00 0.76 N flip ATOM 0 H ASN A 33 -0.729 -4.599 -8.947 1.00 0.53 H new ATOM 0 HA ASN A 33 0.962 -6.555 -10.158 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.638 -4.255 -9.501 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.301 -4.619 -7.820 1.00 0.60 H new ATOM 0 HD21 ASN A 33 3.505 -5.413 -10.474 1.00 0.76 H new ATOM 0 HD22 ASN A 33 4.798 -5.928 -9.386 1.00 0.76 H new ATOM 555 N ASN A 34 -0.478 -7.422 -7.507 1.00 0.85 N ATOM 556 CA ASN A 34 -0.629 -8.346 -6.397 1.00 1.03 C ATOM 557 C ASN A 34 -1.135 -9.697 -6.887 1.00 1.40 C ATOM 558 O ASN A 34 -1.633 -10.511 -6.111 1.00 1.74 O ATOM 559 CB ASN A 34 -1.607 -7.757 -5.373 1.00 1.07 C ATOM 560 CG ASN A 34 -1.226 -6.352 -4.913 1.00 1.16 C ATOM 561 OD1 ASN A 34 -0.678 -5.550 -5.670 1.00 1.79 O ATOM 562 ND2 ASN A 34 -1.513 -6.042 -3.666 1.00 1.47 N ATOM 0 H ASN A 34 -1.319 -6.882 -7.709 1.00 0.85 H new ATOM 0 HA ASN A 34 0.343 -8.496 -5.927 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -2.606 -7.731 -5.808 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.654 -8.415 -4.506 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -1.281 -5.117 -3.304 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -1.967 -6.727 -3.062 1.00 1.47 H new ATOM 569 N PHE A 35 -0.996 -9.933 -8.180 1.00 1.51 N ATOM 570 CA PHE A 35 -1.499 -11.155 -8.788 1.00 1.98 C ATOM 571 C PHE A 35 -0.349 -12.116 -9.096 1.00 2.03 C ATOM 572 O PHE A 35 -0.008 -12.340 -10.258 1.00 2.51 O ATOM 573 CB PHE A 35 -2.284 -10.818 -10.062 1.00 2.40 C ATOM 574 CG PHE A 35 -3.191 -11.918 -10.538 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.805 -12.759 -11.571 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.433 -12.107 -9.955 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.640 -13.767 -12.012 1.00 3.91 C ATOM 578 CE2 PHE A 35 -5.273 -13.114 -10.390 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.875 -13.944 -11.420 1.00 4.45 C ATOM 0 H PHE A 35 -0.539 -9.294 -8.831 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.170 -11.649 -8.085 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.880 -9.924 -9.882 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.578 -10.576 -10.856 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -1.840 -12.624 -12.036 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.749 -11.459 -9.151 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -3.328 -14.415 -12.818 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -6.238 -13.252 -9.926 1.00 4.27 H new ATOM 0 HZ PHE A 35 -5.530 -14.732 -11.762 1.00 4.45 H new ATOM 589 N ARG A 36 0.268 -12.643 -8.043 1.00 1.65 N ATOM 590 CA ARG A 36 1.355 -13.621 -8.162 1.00 1.75 C ATOM 591 C ARG A 36 1.455 -14.441 -6.883 1.00 1.59 C ATOM 592 O ARG A 36 0.656 -14.270 -5.973 1.00 1.48 O ATOM 593 CB ARG A 36 2.708 -12.949 -8.426 1.00 1.73 C ATOM 594 CG ARG A 36 2.961 -12.588 -9.879 1.00 1.84 C ATOM 595 CD ARG A 36 4.430 -12.282 -10.126 1.00 2.25 C ATOM 596 NE ARG A 36 5.287 -13.449 -9.902 1.00 2.72 N ATOM 597 CZ ARG A 36 6.336 -13.762 -10.667 1.00 3.34 C ATOM 598 NH1 ARG A 36 6.627 -13.023 -11.732 1.00 3.59 N ATOM 599 NH2 ARG A 36 7.089 -14.813 -10.368 1.00 4.14 N ATOM 0 H ARG A 36 0.031 -12.406 -7.079 1.00 1.65 H new ATOM 0 HA ARG A 36 1.120 -14.263 -9.011 1.00 1.75 H new ATOM 0 HB2 ARG A 36 2.773 -12.043 -7.824 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.502 -13.615 -8.087 1.00 1.73 H new ATOM 0 HG2 ARG A 36 2.646 -13.411 -10.520 1.00 1.84 H new ATOM 0 HG3 ARG A 36 2.357 -11.723 -10.151 1.00 1.84 H new ATOM 0 HD2 ARG A 36 4.558 -11.931 -11.150 1.00 2.25 H new ATOM 0 HD3 ARG A 36 4.745 -11.471 -9.469 1.00 2.25 H new ATOM 0 HE ARG A 36 5.069 -14.059 -9.114 1.00 2.72 H new ATOM 0 HH11 ARG A 36 6.049 -12.216 -11.966 1.00 3.59 H new ATOM 0 HH12 ARG A 36 7.428 -13.263 -12.316 1.00 3.59 H new ATOM 0 HH21 ARG A 36 6.867 -15.384 -9.552 1.00 4.14 H new ATOM 0 HH22 ARG A 36 7.890 -15.050 -10.954 1.00 4.14 H new ATOM 613 N THR A 37 2.423 -15.346 -6.823 1.00 1.75 N ATOM 614 CA THR A 37 2.691 -16.082 -5.594 1.00 1.72 C ATOM 615 C THR A 37 4.025 -15.630 -5.010 1.00 1.37 C ATOM 616 O THR A 37 4.976 -15.397 -5.756 1.00 1.37 O ATOM 617 CB THR A 37 2.722 -17.603 -5.830 1.00 2.19 C ATOM 618 OG1 THR A 37 1.600 -17.989 -6.636 1.00 2.53 O ATOM 619 CG2 THR A 37 2.673 -18.362 -4.510 1.00 2.68 C ATOM 0 H THR A 37 3.032 -15.587 -7.605 1.00 1.75 H new ATOM 0 HA THR A 37 1.882 -15.870 -4.896 1.00 1.72 H new ATOM 0 HB THR A 37 3.653 -17.849 -6.341 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.623 -18.957 -6.786 1.00 2.53 H new ATOM 0 HG21 THR A 37 2.696 -19.434 -4.706 1.00 2.68 H new ATOM 0 HG22 THR A 37 3.533 -18.086 -3.899 1.00 2.68 H new ATOM 0 HG23 THR A 37 1.755 -18.110 -3.979 1.00 2.68 H new ATOM 627 N THR A 38 4.075 -15.479 -3.681 1.00 1.24 N ATOM 628 CA THR A 38 5.259 -14.982 -2.969 1.00 1.07 C ATOM 629 C THR A 38 5.758 -13.669 -3.572 1.00 1.09 C ATOM 630 O THR A 38 6.935 -13.321 -3.488 1.00 1.38 O ATOM 631 CB THR A 38 6.401 -16.026 -2.903 1.00 1.16 C ATOM 632 OG1 THR A 38 6.775 -16.485 -4.209 1.00 1.42 O ATOM 633 CG2 THR A 38 5.979 -17.213 -2.054 1.00 1.37 C ATOM 0 H THR A 38 3.292 -15.699 -3.066 1.00 1.24 H new ATOM 0 HA THR A 38 4.943 -14.794 -1.943 1.00 1.07 H new ATOM 0 HB THR A 38 7.264 -15.537 -2.452 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.444 -15.856 -4.884 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.791 -17.940 -2.016 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.747 -16.874 -1.044 1.00 1.37 H new ATOM 0 HG23 THR A 38 5.096 -17.678 -2.492 1.00 1.37 H new ATOM 641 N LYS A 39 4.817 -12.943 -4.143 1.00 0.96 N ATOM 642 CA LYS A 39 5.063 -11.642 -4.732 1.00 1.09 C ATOM 643 C LYS A 39 3.788 -10.829 -4.582 1.00 1.22 C ATOM 644 O LYS A 39 2.938 -10.827 -5.472 1.00 1.97 O ATOM 645 CB LYS A 39 5.466 -11.790 -6.209 1.00 1.15 C ATOM 646 CG LYS A 39 6.064 -10.539 -6.853 1.00 1.49 C ATOM 647 CD LYS A 39 5.003 -9.514 -7.225 1.00 1.66 C ATOM 648 CE LYS A 39 5.588 -8.341 -7.997 1.00 2.28 C ATOM 649 NZ LYS A 39 5.934 -8.698 -9.400 1.00 2.90 N ATOM 0 H LYS A 39 3.845 -13.245 -4.212 1.00 0.96 H new ATOM 0 HA LYS A 39 5.887 -11.135 -4.230 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.189 -12.602 -6.291 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.587 -12.087 -6.780 1.00 1.15 H new ATOM 0 HG2 LYS A 39 6.778 -10.086 -6.165 1.00 1.49 H new ATOM 0 HG3 LYS A 39 6.619 -10.824 -7.747 1.00 1.49 H new ATOM 0 HD2 LYS A 39 4.230 -9.994 -7.826 1.00 1.66 H new ATOM 0 HD3 LYS A 39 4.520 -9.147 -6.319 1.00 1.66 H new ATOM 0 HE2 LYS A 39 4.872 -7.519 -8.001 1.00 2.28 H new ATOM 0 HE3 LYS A 39 6.482 -7.983 -7.486 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 6.297 -7.857 -9.893 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 6.662 -9.440 -9.400 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 5.085 -9.046 -9.889 1.00 2.90 H new ATOM 663 N VAL A 40 3.652 -10.220 -3.404 1.00 1.04 N ATOM 664 CA VAL A 40 2.464 -9.452 -2.990 1.00 1.22 C ATOM 665 C VAL A 40 1.151 -10.173 -3.322 1.00 1.42 C ATOM 666 O VAL A 40 0.122 -9.537 -3.546 1.00 1.83 O ATOM 667 CB VAL A 40 2.450 -8.004 -3.557 1.00 1.30 C ATOM 668 CG1 VAL A 40 3.654 -7.227 -3.067 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.401 -7.967 -5.071 1.00 1.40 C ATOM 0 H VAL A 40 4.379 -10.244 -2.689 1.00 1.04 H new ATOM 0 HA VAL A 40 2.538 -9.377 -1.905 1.00 1.22 H new ATOM 0 HB VAL A 40 1.536 -7.538 -3.189 1.00 1.30 H new ATOM 0 HG11 VAL A 40 3.626 -6.217 -3.475 1.00 1.78 H new ATOM 0 HG12 VAL A 40 3.638 -7.179 -1.978 1.00 1.78 H new ATOM 0 HG13 VAL A 40 4.566 -7.725 -3.395 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.393 -6.931 -5.410 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.277 -8.474 -5.476 1.00 1.40 H new ATOM 0 HG23 VAL A 40 1.498 -8.469 -5.418 1.00 1.40 H new ATOM 679 N GLY A 41 1.175 -11.504 -3.278 1.00 1.42 N ATOM 680 CA GLY A 41 0.010 -12.276 -3.673 1.00 1.82 C ATOM 681 C GLY A 41 -0.015 -13.690 -3.104 1.00 1.67 C ATOM 682 O GLY A 41 -0.830 -14.514 -3.523 1.00 2.17 O ATOM 0 H GLY A 41 1.977 -12.058 -2.977 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.889 -11.750 -3.352 1.00 1.82 H new ATOM 0 HA3 GLY A 41 -0.025 -12.332 -4.761 1.00 1.82 H new ATOM 686 N ALA A 42 0.865 -13.977 -2.150 1.00 1.12 N ATOM 687 CA ALA A 42 0.917 -15.298 -1.520 1.00 1.00 C ATOM 688 C ALA A 42 -0.285 -15.496 -0.576 1.00 1.01 C ATOM 689 O ALA A 42 -1.138 -14.618 -0.491 1.00 1.09 O ATOM 690 CB ALA A 42 2.241 -15.453 -0.783 1.00 0.80 C ATOM 0 H ALA A 42 1.554 -13.314 -1.794 1.00 1.12 H new ATOM 0 HA ALA A 42 0.855 -16.071 -2.286 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.283 -16.435 -0.313 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.065 -15.354 -1.490 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.324 -14.681 -0.018 1.00 0.80 H new ATOM 696 N PRO A 43 -0.401 -16.650 0.135 1.00 1.05 N ATOM 697 CA PRO A 43 -1.508 -16.894 1.093 1.00 1.15 C ATOM 698 C PRO A 43 -1.530 -15.931 2.295 1.00 1.08 C ATOM 699 O PRO A 43 -2.135 -16.229 3.325 1.00 1.40 O ATOM 700 CB PRO A 43 -1.257 -18.326 1.581 1.00 1.29 C ATOM 701 CG PRO A 43 -0.392 -18.944 0.540 1.00 1.48 C ATOM 702 CD PRO A 43 0.474 -17.836 0.026 1.00 1.11 C ATOM 0 HA PRO A 43 -2.471 -16.739 0.606 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -0.767 -18.331 2.555 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.192 -18.874 1.693 1.00 1.29 H new ATOM 0 HG2 PRO A 43 0.210 -19.750 0.959 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -0.991 -19.377 -0.261 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.381 -17.724 0.620 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.787 -18.013 -1.003 1.00 1.11 H new ATOM 710 N LEU A 44 -0.885 -14.783 2.158 1.00 0.87 N ATOM 711 CA LEU A 44 -0.895 -13.750 3.174 1.00 0.85 C ATOM 712 C LEU A 44 -0.465 -12.447 2.510 1.00 0.81 C ATOM 713 O LEU A 44 -0.570 -12.322 1.296 1.00 1.24 O ATOM 714 CB LEU A 44 0.036 -14.113 4.334 1.00 0.95 C ATOM 715 CG LEU A 44 -0.198 -13.318 5.623 1.00 1.26 C ATOM 716 CD1 LEU A 44 -1.600 -13.570 6.158 1.00 1.75 C ATOM 717 CD2 LEU A 44 0.842 -13.673 6.673 1.00 1.66 C ATOM 0 H LEU A 44 -0.337 -14.543 1.332 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.894 -13.644 3.596 1.00 0.85 H new ATOM 0 HB2 LEU A 44 -0.078 -15.175 4.554 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.067 -13.963 4.014 1.00 0.95 H new ATOM 0 HG LEU A 44 -0.100 -12.258 5.390 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -1.748 -12.997 7.074 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -2.334 -13.261 5.414 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -1.723 -14.632 6.370 1.00 1.75 H new ATOM 0 HD21 LEU A 44 0.656 -13.096 7.579 1.00 1.66 H new ATOM 0 HD22 LEU A 44 0.780 -14.737 6.901 1.00 1.66 H new ATOM 0 HD23 LEU A 44 1.837 -13.440 6.293 1.00 1.66 H new ATOM 729 N GLY A 45 0.046 -11.501 3.270 1.00 0.61 N ATOM 730 CA GLY A 45 0.388 -10.227 2.697 1.00 0.75 C ATOM 731 C GLY A 45 0.589 -9.148 3.734 1.00 0.61 C ATOM 732 O GLY A 45 1.587 -8.447 3.703 1.00 0.61 O ATOM 0 H GLY A 45 0.229 -11.592 4.269 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.300 -10.332 2.109 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.401 -9.920 2.010 1.00 0.75 H new ATOM 736 N VAL A 46 -0.366 -8.992 4.642 1.00 0.54 N ATOM 737 CA VAL A 46 -0.289 -7.942 5.654 1.00 0.45 C ATOM 738 C VAL A 46 -0.839 -8.418 6.998 1.00 0.47 C ATOM 739 O VAL A 46 -1.911 -9.026 7.052 1.00 0.60 O ATOM 740 CB VAL A 46 -1.065 -6.675 5.235 1.00 0.47 C ATOM 741 CG1 VAL A 46 -0.978 -5.618 6.318 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.555 -6.115 3.914 1.00 0.49 C ATOM 0 H VAL A 46 -1.200 -9.576 4.700 1.00 0.54 H new ATOM 0 HA VAL A 46 0.769 -7.700 5.752 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.108 -6.960 5.097 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.530 -4.731 6.006 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.407 -6.007 7.241 1.00 0.52 H new ATOM 0 HG13 VAL A 46 0.066 -5.354 6.486 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.125 -5.224 3.652 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.499 -5.855 4.012 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.673 -6.864 3.131 1.00 0.49 H new ATOM 752 N ASP A 47 -0.120 -8.113 8.072 1.00 0.41 N ATOM 753 CA ASP A 47 -0.583 -8.404 9.424 1.00 0.49 C ATOM 754 C ASP A 47 -0.848 -7.115 10.187 1.00 0.52 C ATOM 755 O ASP A 47 0.035 -6.263 10.305 1.00 0.57 O ATOM 756 CB ASP A 47 0.438 -9.227 10.197 1.00 0.58 C ATOM 757 CG ASP A 47 -0.058 -9.567 11.589 1.00 0.79 C ATOM 758 OD1 ASP A 47 -1.243 -9.926 11.726 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.752 -9.519 12.543 1.00 0.95 O ATOM 0 H ASP A 47 0.793 -7.661 8.032 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.505 -8.978 9.331 1.00 0.49 H new ATOM 0 HB2 ASP A 47 0.653 -10.146 9.652 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.374 -8.673 10.269 1.00 0.58 H new ATOM 764 N LYS A 48 -2.065 -6.977 10.693 1.00 0.63 N ATOM 765 CA LYS A 48 -2.462 -5.799 11.452 1.00 0.79 C ATOM 766 C LYS A 48 -1.992 -5.888 12.903 1.00 0.85 C ATOM 767 O LYS A 48 -1.882 -4.873 13.589 1.00 1.06 O ATOM 768 CB LYS A 48 -3.986 -5.603 11.407 1.00 1.01 C ATOM 769 CG LYS A 48 -4.508 -4.923 10.141 1.00 1.38 C ATOM 770 CD LYS A 48 -5.044 -5.909 9.106 1.00 1.34 C ATOM 771 CE LYS A 48 -3.935 -6.678 8.409 1.00 2.06 C ATOM 772 NZ LYS A 48 -4.459 -7.607 7.374 1.00 2.81 N ATOM 0 H LYS A 48 -2.802 -7.674 10.590 1.00 0.63 H new ATOM 0 HA LYS A 48 -1.983 -4.937 10.987 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.466 -6.577 11.504 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.288 -5.011 12.271 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -5.300 -4.224 10.412 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -3.705 -4.337 9.694 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -5.719 -6.612 9.594 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.630 -5.368 8.363 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -3.243 -5.974 7.946 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -3.368 -7.243 9.148 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -3.984 -8.528 7.462 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -5.483 -7.732 7.506 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -4.277 -7.212 6.429 1.00 2.81 H new ATOM 786 N LYS A 49 -1.712 -7.104 13.366 1.00 0.80 N ATOM 787 CA LYS A 49 -1.330 -7.328 14.749 1.00 0.97 C ATOM 788 C LYS A 49 0.118 -6.901 14.986 1.00 1.14 C ATOM 789 O LYS A 49 0.391 -6.056 15.842 1.00 1.32 O ATOM 790 CB LYS A 49 -1.538 -8.802 15.111 1.00 1.08 C ATOM 791 CG LYS A 49 -0.929 -9.210 16.440 1.00 1.35 C ATOM 792 CD LYS A 49 -1.497 -8.414 17.610 1.00 1.66 C ATOM 793 CE LYS A 49 -2.990 -8.638 17.781 1.00 2.40 C ATOM 794 NZ LYS A 49 -3.524 -7.908 18.961 1.00 3.17 N ATOM 0 H LYS A 49 -1.744 -7.950 12.797 1.00 0.80 H new ATOM 0 HA LYS A 49 -1.962 -6.719 15.395 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.608 -9.011 15.135 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -1.110 -9.422 14.323 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -1.107 -10.272 16.607 1.00 1.35 H new ATOM 0 HG3 LYS A 49 0.151 -9.070 16.400 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -0.981 -8.699 18.527 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.306 -7.353 17.453 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -3.513 -8.309 16.883 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -3.188 -9.704 17.893 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -4.545 -8.085 19.046 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -3.043 -8.240 19.821 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -3.358 -6.888 18.843 1.00 3.17 H new ATOM 808 N GLY A 50 1.037 -7.486 14.235 1.00 1.22 N ATOM 809 CA GLY A 50 2.429 -7.098 14.336 1.00 1.53 C ATOM 810 C GLY A 50 2.715 -5.834 13.556 1.00 1.14 C ATOM 811 O GLY A 50 3.673 -5.115 13.846 1.00 1.29 O ATOM 0 H GLY A 50 0.845 -8.223 13.557 1.00 1.22 H new ATOM 0 HA2 GLY A 50 2.689 -6.946 15.383 1.00 1.53 H new ATOM 0 HA3 GLY A 50 3.060 -7.906 13.965 1.00 1.53 H new ATOM 815 N GLY A 51 1.881 -5.564 12.560 1.00 0.77 N ATOM 816 CA GLY A 51 2.031 -4.364 11.766 1.00 0.65 C ATOM 817 C GLY A 51 3.089 -4.508 10.693 1.00 0.56 C ATOM 818 O GLY A 51 3.966 -3.655 10.559 1.00 0.60 O ATOM 0 H GLY A 51 1.099 -6.160 12.288 1.00 0.77 H new ATOM 0 HA2 GLY A 51 1.077 -4.119 11.300 1.00 0.65 H new ATOM 0 HA3 GLY A 51 2.291 -3.530 12.419 1.00 0.65 H new ATOM 822 N ARG A 52 3.018 -5.586 9.925 1.00 0.51 N ATOM 823 CA ARG A 52 3.980 -5.818 8.851 1.00 0.53 C ATOM 824 C ARG A 52 3.275 -6.295 7.603 1.00 0.50 C ATOM 825 O ARG A 52 2.193 -6.869 7.680 1.00 0.60 O ATOM 826 CB ARG A 52 5.028 -6.868 9.237 1.00 0.68 C ATOM 827 CG ARG A 52 6.270 -6.305 9.906 1.00 1.04 C ATOM 828 CD ARG A 52 6.026 -5.988 11.367 1.00 1.42 C ATOM 829 NE ARG A 52 7.207 -5.419 12.012 1.00 2.14 N ATOM 830 CZ ARG A 52 7.413 -5.454 13.326 1.00 2.80 C ATOM 831 NH1 ARG A 52 6.580 -6.128 14.107 1.00 2.98 N ATOM 832 NH2 ARG A 52 8.464 -4.843 13.853 1.00 3.72 N ATOM 0 H ARG A 52 2.309 -6.312 10.023 1.00 0.51 H new ATOM 0 HA ARG A 52 4.479 -4.866 8.669 1.00 0.53 H new ATOM 0 HB2 ARG A 52 4.567 -7.593 9.908 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.328 -7.410 8.340 1.00 0.68 H new ATOM 0 HG2 ARG A 52 7.086 -7.023 9.821 1.00 1.04 H new ATOM 0 HG3 ARG A 52 6.585 -5.401 9.385 1.00 1.04 H new ATOM 0 HD2 ARG A 52 5.195 -5.288 11.451 1.00 1.42 H new ATOM 0 HD3 ARG A 52 5.731 -6.898 11.890 1.00 1.42 H new ATOM 0 HE ARG A 52 7.910 -4.972 11.424 1.00 2.14 H new ATOM 0 HH11 ARG A 52 5.783 -6.618 13.700 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.736 -6.156 15.115 1.00 2.98 H new ATOM 0 HH21 ARG A 52 9.119 -4.344 13.251 1.00 3.72 H new ATOM 0 HH22 ARG A 52 8.619 -4.872 14.861 1.00 3.72 H new ATOM 846 N TRP A 53 3.876 -6.050 6.452 1.00 0.52 N ATOM 847 CA TRP A 53 3.408 -6.668 5.234 1.00 0.53 C ATOM 848 C TRP A 53 4.285 -7.875 4.946 1.00 0.57 C ATOM 849 O TRP A 53 5.450 -7.727 4.596 1.00 0.73 O ATOM 850 CB TRP A 53 3.475 -5.704 4.049 1.00 0.65 C ATOM 851 CG TRP A 53 2.686 -4.431 4.208 1.00 0.55 C ATOM 852 CD1 TRP A 53 2.197 -3.893 5.363 1.00 0.53 C ATOM 853 CD2 TRP A 53 2.308 -3.532 3.159 1.00 0.73 C ATOM 854 NE1 TRP A 53 1.536 -2.719 5.096 1.00 0.68 N ATOM 855 CE2 TRP A 53 1.590 -2.476 3.751 1.00 0.82 C ATOM 856 CE3 TRP A 53 2.507 -3.517 1.776 1.00 0.95 C ATOM 857 CZ2 TRP A 53 1.071 -1.419 3.006 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.991 -2.468 1.038 1.00 1.20 C ATOM 859 CH2 TRP A 53 1.280 -1.432 1.655 1.00 1.28 C ATOM 0 H TRP A 53 4.681 -5.433 6.340 1.00 0.52 H new ATOM 0 HA TRP A 53 2.366 -6.959 5.367 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.519 -5.445 3.871 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.120 -6.223 3.159 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.313 -4.328 6.345 1.00 0.53 H new ATOM 0 HE1 TRP A 53 1.079 -2.125 5.788 1.00 0.68 H new ATOM 0 HE3 TRP A 53 3.055 -4.312 1.292 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 0.523 -0.618 3.479 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 2.139 -2.448 -0.032 1.00 1.20 H new ATOM 0 HH2 TRP A 53 0.889 -0.626 1.051 1.00 1.28 H new ATOM 870 N TYR A 54 3.747 -9.064 5.118 1.00 0.49 N ATOM 871 CA TYR A 54 4.499 -10.259 4.815 1.00 0.58 C ATOM 872 C TYR A 54 3.583 -11.386 4.372 1.00 0.49 C ATOM 873 O TYR A 54 2.449 -11.519 4.840 1.00 0.52 O ATOM 874 CB TYR A 54 5.374 -10.694 6.000 1.00 0.75 C ATOM 875 CG TYR A 54 4.631 -11.193 7.218 1.00 0.58 C ATOM 876 CD1 TYR A 54 4.693 -12.532 7.581 1.00 0.73 C ATOM 877 CD2 TYR A 54 3.899 -10.330 8.023 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.050 -12.998 8.710 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.247 -10.789 9.151 1.00 0.95 C ATOM 880 CZ TYR A 54 3.329 -12.123 9.491 1.00 1.20 C ATOM 881 OH TYR A 54 2.693 -12.582 10.624 1.00 1.66 O ATOM 0 H TYR A 54 2.801 -9.226 5.463 1.00 0.49 H new ATOM 0 HA TYR A 54 5.165 -10.021 3.986 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.047 -11.481 5.661 1.00 0.75 H new ATOM 0 HB3 TYR A 54 5.996 -9.850 6.298 1.00 0.75 H new ATOM 0 HD1 TYR A 54 5.255 -13.222 6.968 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.839 -9.284 7.763 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.112 -14.042 8.979 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.676 -10.107 9.763 1.00 0.95 H new ATOM 0 HH TYR A 54 2.230 -11.838 11.063 1.00 1.66 H new ATOM 891 N GLU A 55 4.089 -12.172 3.442 1.00 0.52 N ATOM 892 CA GLU A 55 3.367 -13.301 2.899 1.00 0.56 C ATOM 893 C GLU A 55 4.048 -14.586 3.338 1.00 0.62 C ATOM 894 O GLU A 55 5.155 -14.550 3.882 1.00 0.81 O ATOM 895 CB GLU A 55 3.375 -13.232 1.374 1.00 0.73 C ATOM 896 CG GLU A 55 3.001 -11.876 0.809 1.00 0.81 C ATOM 897 CD GLU A 55 3.514 -11.697 -0.600 1.00 1.51 C ATOM 898 OE1 GLU A 55 3.002 -12.386 -1.507 1.00 1.94 O ATOM 899 OE2 GLU A 55 4.399 -10.839 -0.811 1.00 2.12 O ATOM 0 H GLU A 55 5.018 -12.043 3.041 1.00 0.52 H new ATOM 0 HA GLU A 55 2.339 -13.280 3.260 1.00 0.56 H new ATOM 0 HB2 GLU A 55 4.368 -13.501 1.015 1.00 0.73 H new ATOM 0 HB3 GLU A 55 2.683 -13.978 0.985 1.00 0.73 H new ATOM 0 HG2 GLU A 55 1.917 -11.764 0.818 1.00 0.81 H new ATOM 0 HG3 GLU A 55 3.408 -11.091 1.447 1.00 0.81 H new ATOM 906 N ILE A 56 3.406 -15.713 3.085 1.00 0.63 N ATOM 907 CA ILE A 56 4.014 -17.002 3.358 1.00 0.68 C ATOM 908 C ILE A 56 4.997 -17.337 2.244 1.00 0.70 C ATOM 909 O ILE A 56 4.592 -17.646 1.124 1.00 0.80 O ATOM 910 CB ILE A 56 2.962 -18.131 3.453 1.00 0.83 C ATOM 911 CG1 ILE A 56 1.804 -17.736 4.377 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.618 -19.420 3.935 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.216 -17.466 5.810 1.00 0.90 C ATOM 0 H ILE A 56 2.466 -15.761 2.692 1.00 0.63 H new ATOM 0 HA ILE A 56 4.523 -16.933 4.320 1.00 0.68 H new ATOM 0 HB ILE A 56 2.549 -18.296 2.458 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.322 -16.845 3.976 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.060 -18.532 4.369 1.00 0.90 H new ATOM 0 HG21 ILE A 56 2.868 -20.208 3.998 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.397 -19.716 3.233 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.058 -19.258 4.919 1.00 0.92 H new ATOM 0 HD11 ILE A 56 1.338 -17.193 6.396 1.00 0.90 H new ATOM 0 HD12 ILE A 56 2.670 -18.362 6.233 1.00 0.90 H new ATOM 0 HD13 ILE A 56 2.936 -16.648 5.834 1.00 0.90 H new ATOM 925 N ASP A 57 6.284 -17.219 2.534 1.00 0.65 N ATOM 926 CA ASP A 57 7.306 -17.533 1.546 1.00 0.72 C ATOM 927 C ASP A 57 7.673 -19.016 1.621 1.00 0.76 C ATOM 928 O ASP A 57 6.957 -19.808 2.234 1.00 0.96 O ATOM 929 CB ASP A 57 8.538 -16.655 1.770 1.00 0.84 C ATOM 930 CG ASP A 57 9.417 -16.556 0.536 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.057 -15.799 -0.379 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.459 -17.236 0.481 1.00 1.97 O ATOM 0 H ASP A 57 6.644 -16.911 3.437 1.00 0.65 H new ATOM 0 HA ASP A 57 6.915 -17.328 0.550 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.218 -15.656 2.065 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.122 -17.060 2.596 1.00 0.84 H new ATOM 937 N GLU A 58 8.787 -19.390 1.012 1.00 0.87 N ATOM 938 CA GLU A 58 9.164 -20.792 0.917 1.00 1.01 C ATOM 939 C GLU A 58 9.804 -21.294 2.207 1.00 1.04 C ATOM 940 O GLU A 58 9.597 -22.440 2.599 1.00 1.17 O ATOM 941 CB GLU A 58 10.087 -21.029 -0.282 1.00 1.35 C ATOM 942 CG GLU A 58 11.286 -20.100 -0.363 1.00 1.54 C ATOM 943 CD GLU A 58 12.138 -20.384 -1.576 1.00 2.04 C ATOM 944 OE1 GLU A 58 11.672 -20.128 -2.709 1.00 2.43 O ATOM 945 OE2 GLU A 58 13.270 -20.877 -1.407 1.00 2.21 O ATOM 0 H GLU A 58 9.445 -18.744 0.577 1.00 0.87 H new ATOM 0 HA GLU A 58 8.250 -21.366 0.763 1.00 1.01 H new ATOM 0 HB2 GLU A 58 10.445 -22.058 -0.248 1.00 1.35 H new ATOM 0 HB3 GLU A 58 9.503 -20.925 -1.197 1.00 1.35 H new ATOM 0 HG2 GLU A 58 10.942 -19.066 -0.395 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.890 -20.208 0.538 1.00 1.54 H new ATOM 952 N GLN A 59 10.569 -20.442 2.877 1.00 1.10 N ATOM 953 CA GLN A 59 11.173 -20.837 4.147 1.00 1.36 C ATOM 954 C GLN A 59 10.342 -20.356 5.342 1.00 1.39 C ATOM 955 O GLN A 59 10.858 -20.206 6.451 1.00 1.70 O ATOM 956 CB GLN A 59 12.635 -20.369 4.263 1.00 1.60 C ATOM 957 CG GLN A 59 12.852 -18.866 4.405 1.00 1.69 C ATOM 958 CD GLN A 59 12.538 -18.095 3.144 1.00 1.62 C ATOM 959 OE1 GLN A 59 11.309 -17.628 3.034 1.00 2.39 O flip ATOM 960 NE2 GLN A 59 13.397 -17.904 2.286 1.00 1.40 N flip ATOM 0 H GLN A 59 10.784 -19.492 2.573 1.00 1.10 H new ATOM 0 HA GLN A 59 11.180 -21.927 4.165 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.085 -20.863 5.124 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.175 -20.711 3.380 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.228 -18.491 5.217 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.888 -18.681 4.687 1.00 1.69 H new ATOM 0 HE21 GLN A 59 14.336 -18.283 2.411 1.00 1.40 H new ATOM 0 HE22 GLN A 59 13.171 -17.366 1.449 1.00 1.40 H new ATOM 969 N GLY A 60 9.052 -20.133 5.118 1.00 1.19 N ATOM 970 CA GLY A 60 8.151 -19.834 6.216 1.00 1.39 C ATOM 971 C GLY A 60 7.295 -18.611 5.965 1.00 1.45 C ATOM 972 O GLY A 60 6.272 -18.686 5.299 1.00 2.29 O ATOM 0 H GLY A 60 8.614 -20.154 4.197 1.00 1.19 H new ATOM 0 HA2 GLY A 60 7.504 -20.693 6.391 1.00 1.39 H new ATOM 0 HA3 GLY A 60 8.733 -19.682 7.125 1.00 1.39 H new ATOM 976 N GLU A 61 7.723 -17.480 6.493 1.00 1.11 N ATOM 977 CA GLU A 61 6.965 -16.237 6.381 1.00 1.15 C ATOM 978 C GLU A 61 7.918 -15.071 6.192 1.00 1.26 C ATOM 979 O GLU A 61 7.622 -13.928 6.552 1.00 1.72 O ATOM 980 CB GLU A 61 6.124 -16.012 7.639 1.00 1.33 C ATOM 981 CG GLU A 61 5.040 -17.051 7.857 1.00 1.38 C ATOM 982 CD GLU A 61 4.424 -16.957 9.234 1.00 1.69 C ATOM 983 OE1 GLU A 61 4.856 -17.694 10.143 1.00 1.77 O ATOM 984 OE2 GLU A 61 3.491 -16.145 9.413 1.00 2.31 O ATOM 0 H GLU A 61 8.598 -17.391 7.009 1.00 1.11 H new ATOM 0 HA GLU A 61 6.301 -16.308 5.520 1.00 1.15 H new ATOM 0 HB2 GLU A 61 6.784 -16.004 8.507 1.00 1.33 H new ATOM 0 HB3 GLU A 61 5.661 -15.027 7.581 1.00 1.33 H new ATOM 0 HG2 GLU A 61 4.262 -16.925 7.104 1.00 1.38 H new ATOM 0 HG3 GLU A 61 5.461 -18.047 7.717 1.00 1.38 H new ATOM 991 N GLU A 62 9.045 -15.363 5.571 1.00 1.06 N ATOM 992 CA GLU A 62 10.128 -14.407 5.475 1.00 1.20 C ATOM 993 C GLU A 62 9.920 -13.498 4.288 1.00 1.00 C ATOM 994 O GLU A 62 10.510 -13.672 3.223 1.00 1.08 O ATOM 995 CB GLU A 62 11.467 -15.129 5.384 1.00 1.54 C ATOM 996 CG GLU A 62 11.905 -15.753 6.697 1.00 1.98 C ATOM 997 CD GLU A 62 12.083 -14.724 7.794 1.00 2.16 C ATOM 998 OE1 GLU A 62 11.114 -14.453 8.532 1.00 2.61 O ATOM 999 OE2 GLU A 62 13.199 -14.183 7.929 1.00 2.56 O ATOM 0 H GLU A 62 9.233 -16.260 5.124 1.00 1.06 H new ATOM 0 HA GLU A 62 10.136 -13.793 6.375 1.00 1.20 H new ATOM 0 HB2 GLU A 62 11.401 -15.908 4.624 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.230 -14.424 5.053 1.00 1.54 H new ATOM 0 HG2 GLU A 62 11.166 -16.490 7.010 1.00 1.98 H new ATOM 0 HG3 GLU A 62 12.844 -16.287 6.547 1.00 1.98 H new ATOM 1006 N HIS A 63 9.021 -12.567 4.476 1.00 0.90 N ATOM 1007 CA HIS A 63 8.752 -11.547 3.498 1.00 0.85 C ATOM 1008 C HIS A 63 8.956 -10.173 4.123 1.00 0.92 C ATOM 1009 O HIS A 63 8.460 -9.906 5.219 1.00 1.22 O ATOM 1010 CB HIS A 63 7.338 -11.733 2.955 1.00 0.96 C ATOM 1011 CG HIS A 63 7.304 -12.374 1.606 1.00 1.85 C ATOM 1012 ND1 HIS A 63 6.699 -11.813 0.505 1.00 2.82 N ATOM 1013 CD2 HIS A 63 7.822 -13.543 1.186 1.00 2.22 C ATOM 1014 CE1 HIS A 63 6.853 -12.613 -0.531 1.00 3.72 C ATOM 1015 NE2 HIS A 63 7.532 -13.669 -0.143 1.00 3.37 N ATOM 0 H HIS A 63 8.451 -12.495 5.319 1.00 0.90 H new ATOM 0 HA HIS A 63 9.444 -11.628 2.659 1.00 0.85 H new ATOM 0 HB2 HIS A 63 6.765 -12.342 3.654 1.00 0.96 H new ATOM 0 HB3 HIS A 63 6.846 -10.762 2.901 1.00 0.96 H new ATOM 0 HD1 HIS A 63 6.209 -10.919 0.493 1.00 2.82 H new ATOM 0 HD2 HIS A 63 8.368 -14.253 1.790 1.00 2.22 H new ATOM 0 HE1 HIS A 63 6.484 -12.431 -1.530 1.00 3.72 H new ATOM 0 HE2 HIS A 63 7.799 -14.454 -0.737 1.00 3.37 H new ATOM 1024 N THR A 64 9.721 -9.330 3.439 1.00 0.97 N ATOM 1025 CA THR A 64 10.089 -8.009 3.940 1.00 1.01 C ATOM 1026 C THR A 64 8.888 -7.057 3.968 1.00 1.50 C ATOM 1027 O THR A 64 8.146 -7.005 4.947 1.00 2.27 O ATOM 1028 CB THR A 64 11.198 -7.412 3.052 1.00 1.03 C ATOM 1029 OG1 THR A 64 12.128 -8.436 2.689 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.938 -6.283 3.750 1.00 1.44 C ATOM 0 H THR A 64 10.105 -9.543 2.518 1.00 0.97 H new ATOM 0 HA THR A 64 10.448 -8.127 4.963 1.00 1.01 H new ATOM 0 HB THR A 64 10.722 -7.001 2.161 1.00 1.03 H new ATOM 0 HG1 THR A 64 12.831 -8.054 2.123 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.711 -5.891 3.089 1.00 1.44 H new ATOM 0 HG22 THR A 64 11.236 -5.487 3.999 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.399 -6.660 4.663 1.00 1.44 H new ATOM 1038 N PHE A 65 8.731 -6.313 2.877 1.00 1.66 N ATOM 1039 CA PHE A 65 7.610 -5.391 2.660 1.00 2.32 C ATOM 1040 C PHE A 65 7.368 -4.405 3.817 1.00 1.96 C ATOM 1041 O PHE A 65 8.220 -4.215 4.685 1.00 2.43 O ATOM 1042 CB PHE A 65 6.350 -6.165 2.301 1.00 3.26 C ATOM 1043 CG PHE A 65 6.483 -6.878 0.991 1.00 4.27 C ATOM 1044 CD1 PHE A 65 6.720 -8.240 0.958 1.00 4.99 C ATOM 1045 CD2 PHE A 65 6.350 -6.195 -0.206 1.00 4.69 C ATOM 1046 CE1 PHE A 65 6.822 -8.910 -0.243 1.00 6.10 C ATOM 1047 CE2 PHE A 65 6.454 -6.861 -1.410 1.00 5.77 C ATOM 1048 CZ PHE A 65 6.769 -8.177 -1.445 1.00 6.48 C ATOM 0 H PHE A 65 9.391 -6.331 2.100 1.00 1.66 H new ATOM 0 HA PHE A 65 7.891 -4.760 1.817 1.00 2.32 H new ATOM 0 HB2 PHE A 65 6.133 -6.888 3.087 1.00 3.26 H new ATOM 0 HB3 PHE A 65 5.504 -5.479 2.256 1.00 3.26 H new ATOM 0 HD1 PHE A 65 6.826 -8.786 1.884 1.00 4.99 H new ATOM 0 HD2 PHE A 65 6.163 -5.131 -0.197 1.00 4.69 H new ATOM 0 HE1 PHE A 65 6.941 -9.983 -0.262 1.00 6.10 H new ATOM 0 HE2 PHE A 65 6.282 -6.327 -2.333 1.00 5.77 H new ATOM 0 HZ PHE A 65 6.978 -8.661 -2.387 1.00 6.48 H new ATOM 1058 N GLY A 66 6.211 -3.752 3.767 1.00 1.23 N ATOM 1059 CA GLY A 66 5.939 -2.581 4.581 1.00 0.93 C ATOM 1060 C GLY A 66 6.098 -2.789 6.070 1.00 0.80 C ATOM 1061 O GLY A 66 5.729 -3.831 6.615 1.00 0.96 O ATOM 0 H GLY A 66 5.438 -4.023 3.159 1.00 1.23 H new ATOM 0 HA2 GLY A 66 6.605 -1.777 4.268 1.00 0.93 H new ATOM 0 HA3 GLY A 66 4.921 -2.247 4.382 1.00 0.93 H new ATOM 1065 N LEU A 67 6.643 -1.774 6.716 1.00 0.64 N ATOM 1066 CA LEU A 67 6.827 -1.767 8.155 1.00 0.65 C ATOM 1067 C LEU A 67 5.890 -0.739 8.783 1.00 0.51 C ATOM 1068 O LEU A 67 6.157 0.461 8.767 1.00 0.54 O ATOM 1069 CB LEU A 67 8.293 -1.474 8.514 1.00 0.76 C ATOM 1070 CG LEU A 67 8.927 -0.236 7.861 1.00 0.64 C ATOM 1071 CD1 LEU A 67 10.035 0.320 8.741 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.489 -0.584 6.485 1.00 1.14 C ATOM 0 H LEU A 67 6.972 -0.927 6.254 1.00 0.64 H new ATOM 0 HA LEU A 67 6.583 -2.752 8.553 1.00 0.65 H new ATOM 0 HB2 LEU A 67 8.363 -1.362 9.596 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.890 -2.345 8.244 1.00 0.76 H new ATOM 0 HG LEU A 67 8.151 0.521 7.745 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.473 1.196 8.264 1.00 1.17 H new ATOM 0 HD12 LEU A 67 9.623 0.602 9.710 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.804 -0.440 8.881 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.934 0.305 6.038 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.250 -1.358 6.588 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.685 -0.948 5.845 1.00 1.14 H new ATOM 1084 N ILE A 68 4.770 -1.210 9.306 1.00 0.43 N ATOM 1085 CA ILE A 68 3.731 -0.319 9.797 1.00 0.38 C ATOM 1086 C ILE A 68 4.019 0.126 11.231 1.00 0.45 C ATOM 1087 O ILE A 68 4.455 -0.671 12.061 1.00 0.61 O ATOM 1088 CB ILE A 68 2.341 -0.990 9.754 1.00 0.38 C ATOM 1089 CG1 ILE A 68 2.108 -1.689 8.412 1.00 0.38 C ATOM 1090 CG2 ILE A 68 1.253 0.046 9.998 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.806 -2.462 8.355 1.00 0.44 C ATOM 0 H ILE A 68 4.557 -2.203 9.402 1.00 0.43 H new ATOM 0 HA ILE A 68 3.728 0.550 9.139 1.00 0.38 H new ATOM 0 HB ILE A 68 2.303 -1.743 10.541 1.00 0.38 H new ATOM 0 HG12 ILE A 68 2.115 -0.944 7.616 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.936 -2.371 8.217 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.277 -0.437 9.966 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.399 0.504 10.976 1.00 0.46 H new ATOM 0 HG23 ILE A 68 1.303 0.815 9.227 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.705 -2.932 7.377 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.805 -3.230 9.129 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.029 -1.781 8.518 1.00 0.44 H new ATOM 1103 N ARG A 69 3.778 1.400 11.512 1.00 0.43 N ATOM 1104 CA ARG A 69 3.927 1.925 12.863 1.00 0.55 C ATOM 1105 C ARG A 69 2.566 2.023 13.544 1.00 0.51 C ATOM 1106 O ARG A 69 2.428 1.705 14.726 1.00 0.67 O ATOM 1107 CB ARG A 69 4.604 3.302 12.859 1.00 0.70 C ATOM 1108 CG ARG A 69 6.116 3.259 12.676 1.00 1.19 C ATOM 1109 CD ARG A 69 6.514 3.004 11.234 1.00 0.74 C ATOM 1110 NE ARG A 69 7.950 2.766 11.107 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.806 3.625 10.560 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.383 4.803 10.123 1.00 2.00 N ATOM 1113 NH2 ARG A 69 10.094 3.318 10.481 1.00 1.83 N ATOM 0 H ARG A 69 3.478 2.089 10.822 1.00 0.43 H new ATOM 0 HA ARG A 69 4.562 1.235 13.418 1.00 0.55 H new ATOM 0 HB2 ARG A 69 4.171 3.904 12.061 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.378 3.807 13.798 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.547 4.203 13.008 1.00 1.19 H new ATOM 0 HG3 ARG A 69 6.535 2.477 13.310 1.00 1.19 H new ATOM 0 HD2 ARG A 69 5.967 2.143 10.852 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.231 3.860 10.621 1.00 0.74 H new ATOM 0 HE ARG A 69 8.320 1.884 11.461 1.00 1.08 H new ATOM 0 HH11 ARG A 69 7.398 5.054 10.206 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.043 5.459 9.704 1.00 2.00 H new ATOM 0 HH21 ARG A 69 10.428 2.423 10.840 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.750 3.976 10.062 1.00 1.83 H new ATOM 1127 N LYS A 70 1.560 2.449 12.787 1.00 0.39 N ATOM 1128 CA LYS A 70 0.219 2.626 13.326 1.00 0.41 C ATOM 1129 C LYS A 70 -0.842 2.117 12.359 1.00 0.35 C ATOM 1130 O LYS A 70 -0.910 2.553 11.208 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.039 4.102 13.651 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.496 4.410 13.977 1.00 0.62 C ATOM 1133 CD LYS A 70 -1.676 5.834 14.476 1.00 0.99 C ATOM 1134 CE LYS A 70 -3.126 6.115 14.837 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.297 7.482 15.390 1.00 1.53 N ATOM 0 H LYS A 70 1.650 2.678 11.797 1.00 0.39 H new ATOM 0 HA LYS A 70 0.154 2.040 14.243 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.583 4.393 14.497 1.00 0.53 H new ATOM 0 HB3 LYS A 70 0.271 4.712 12.803 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.107 4.257 13.088 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -1.854 3.712 14.734 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.044 5.998 15.348 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.348 6.535 13.708 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -3.751 5.999 13.951 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -3.469 5.381 15.567 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -4.298 7.639 15.625 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -2.720 7.584 16.249 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.993 8.183 14.684 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.654 1.185 12.833 1.00 0.35 N ATOM 1150 CA VAL A 71 -2.801 0.703 12.082 1.00 0.36 C ATOM 1151 C VAL A 71 -4.077 1.166 12.770 1.00 0.37 C ATOM 1152 O VAL A 71 -4.406 0.685 13.855 1.00 0.47 O ATOM 1153 CB VAL A 71 -2.824 -0.839 11.980 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -3.969 -1.294 11.091 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.498 -1.373 11.463 1.00 0.77 C ATOM 0 H VAL A 71 -1.537 0.744 13.745 1.00 0.35 H new ATOM 0 HA VAL A 71 -2.729 1.108 11.072 1.00 0.36 H new ATOM 0 HB VAL A 71 -2.980 -1.243 12.980 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -3.971 -2.382 11.029 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -4.915 -0.952 11.512 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -3.844 -0.874 10.093 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.543 -2.460 11.401 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.301 -0.961 10.473 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -0.698 -1.081 12.143 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.782 2.108 12.169 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.977 2.645 12.796 1.00 0.36 C ATOM 1167 C ASP A 72 -7.213 2.317 11.979 1.00 0.35 C ATOM 1168 O ASP A 72 -7.858 3.225 11.444 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.873 4.156 12.986 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.601 4.618 14.234 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.000 3.761 15.049 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -6.794 5.848 14.397 1.00 1.42 O ATOM 0 H ASP A 72 -4.553 2.512 11.261 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.066 2.177 13.776 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.823 4.443 13.050 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.289 4.661 12.114 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.498 1.009 11.867 1.00 0.38 N ATOM 1178 CA GLU A 73 -8.726 0.481 11.244 1.00 0.39 C ATOM 1179 C GLU A 73 -9.040 1.175 9.899 1.00 0.38 C ATOM 1180 O GLU A 73 -8.153 1.789 9.302 1.00 0.56 O ATOM 1181 CB GLU A 73 -9.891 0.594 12.249 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.283 2.015 12.619 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.346 2.060 13.684 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.025 1.796 14.862 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.510 2.367 13.355 1.00 0.92 O ATOM 0 H GLU A 73 -6.875 0.278 12.211 1.00 0.38 H new ATOM 0 HA GLU A 73 -8.576 -0.571 11.001 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -10.762 0.090 11.831 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.619 0.059 13.159 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.401 2.553 12.967 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.642 2.533 11.730 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.264 1.013 9.332 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.710 1.849 8.212 1.00 0.32 C ATOM 1194 C PRO A 74 -10.761 3.332 8.579 1.00 0.31 C ATOM 1195 O PRO A 74 -11.834 3.886 8.831 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.115 1.328 7.893 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.138 -0.056 8.435 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.257 -0.036 9.650 1.00 0.38 C ATOM 0 HA PRO A 74 -10.024 1.785 7.368 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -12.882 1.948 8.358 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.306 1.336 6.820 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.153 -0.358 8.693 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -11.771 -0.770 7.698 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -11.821 0.203 10.552 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -10.782 -1.002 9.818 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.590 3.949 8.645 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.472 5.375 8.914 1.00 0.31 C ATOM 1208 C ASP A 75 -8.090 5.884 8.520 1.00 0.30 C ATOM 1209 O ASP A 75 -7.962 6.660 7.572 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.735 5.688 10.390 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.590 7.168 10.703 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.557 7.561 11.283 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.508 7.947 10.368 1.00 0.50 O ATOM 0 H ASP A 75 -8.696 3.476 8.514 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.226 5.884 8.314 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.740 5.360 10.655 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.041 5.119 11.009 1.00 0.34 H new ATOM 1218 N THR A 76 -7.058 5.435 9.230 1.00 0.28 N ATOM 1219 CA THR A 76 -5.707 5.940 9.000 1.00 0.29 C ATOM 1220 C THR A 76 -4.638 4.864 9.182 1.00 0.29 C ATOM 1221 O THR A 76 -4.798 3.935 9.973 1.00 0.35 O ATOM 1222 CB THR A 76 -5.405 7.129 9.931 1.00 0.32 C ATOM 1223 OG1 THR A 76 -6.012 6.922 11.214 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.907 8.428 9.322 1.00 0.35 C ATOM 0 H THR A 76 -7.130 4.729 9.963 1.00 0.28 H new ATOM 0 HA THR A 76 -5.673 6.268 7.961 1.00 0.29 H new ATOM 0 HB THR A 76 -4.325 7.199 10.057 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.984 7.025 11.137 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.684 9.256 9.995 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.413 8.596 8.365 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.984 8.365 9.169 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.552 4.988 8.423 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.422 4.075 8.539 1.00 0.31 C ATOM 1234 C LEU A 77 -1.115 4.842 8.452 1.00 0.33 C ATOM 1235 O LEU A 77 -0.912 5.632 7.532 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.423 3.016 7.427 1.00 0.33 C ATOM 1237 CG LEU A 77 -3.721 2.235 7.229 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -4.644 2.969 6.277 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -3.427 0.844 6.705 1.00 0.69 C ATOM 0 H LEU A 77 -3.432 5.716 7.719 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.517 3.579 9.505 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.175 3.509 6.487 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -1.625 2.303 7.634 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.218 2.146 8.195 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -5.563 2.398 6.148 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -4.882 3.951 6.685 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.152 3.087 5.312 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -4.362 0.301 6.570 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -2.908 0.917 5.749 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -2.799 0.312 7.419 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.238 4.611 9.410 1.00 0.32 N ATOM 1252 CA VAL A 78 1.109 5.157 9.352 1.00 0.36 C ATOM 1253 C VAL A 78 2.096 4.020 9.092 1.00 0.34 C ATOM 1254 O VAL A 78 2.425 3.247 9.996 1.00 0.36 O ATOM 1255 CB VAL A 78 1.490 5.906 10.647 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.822 6.616 10.473 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.404 6.900 11.037 1.00 0.67 C ATOM 0 H VAL A 78 -0.432 4.049 10.239 1.00 0.32 H new ATOM 0 HA VAL A 78 1.147 5.884 8.540 1.00 0.36 H new ATOM 0 HB VAL A 78 1.586 5.175 11.450 1.00 0.43 H new ATOM 0 HG11 VAL A 78 3.078 7.140 11.394 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.597 5.885 10.244 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.748 7.334 9.656 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.694 7.416 11.952 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.272 7.628 10.236 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.533 6.369 11.202 1.00 0.67 H new ATOM 1267 N ILE A 79 2.541 3.905 7.846 1.00 0.35 N ATOM 1268 CA ILE A 79 3.316 2.741 7.408 1.00 0.39 C ATOM 1269 C ILE A 79 4.620 3.152 6.721 1.00 0.40 C ATOM 1270 O ILE A 79 4.644 4.101 5.951 1.00 0.43 O ATOM 1271 CB ILE A 79 2.456 1.841 6.473 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.266 0.651 5.918 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.837 2.664 5.341 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.711 0.802 4.475 1.00 0.67 C ATOM 0 H ILE A 79 2.381 4.601 7.118 1.00 0.35 H new ATOM 0 HA ILE A 79 3.587 2.168 8.295 1.00 0.39 H new ATOM 0 HB ILE A 79 1.646 1.426 7.073 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.148 0.507 6.542 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.663 -0.253 6.005 1.00 0.75 H new ATOM 0 HG21 ILE A 79 1.241 2.013 4.702 1.00 0.52 H new ATOM 0 HG22 ILE A 79 1.199 3.441 5.763 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.629 3.125 4.751 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.273 -0.082 4.173 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.836 0.912 3.834 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.344 1.684 4.380 1.00 0.67 H new ATOM 1286 N GLY A 80 5.704 2.443 7.026 1.00 0.42 N ATOM 1287 CA GLY A 80 6.984 2.711 6.388 1.00 0.46 C ATOM 1288 C GLY A 80 7.176 1.873 5.137 1.00 0.46 C ATOM 1289 O GLY A 80 6.700 0.738 5.068 1.00 0.50 O ATOM 0 H GLY A 80 5.719 1.684 7.707 1.00 0.42 H new ATOM 0 HA2 GLY A 80 7.048 3.768 6.131 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.791 2.505 7.091 1.00 0.46 H new ATOM 1293 N TRP A 81 7.903 2.408 4.168 1.00 0.50 N ATOM 1294 CA TRP A 81 7.990 1.797 2.852 1.00 0.51 C ATOM 1295 C TRP A 81 9.080 0.737 2.784 1.00 0.53 C ATOM 1296 O TRP A 81 10.161 0.898 3.352 1.00 0.81 O ATOM 1297 CB TRP A 81 8.269 2.857 1.789 1.00 0.74 C ATOM 1298 CG TRP A 81 8.392 2.269 0.423 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.538 2.084 -0.291 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.330 1.755 -0.374 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.251 1.468 -1.483 1.00 0.88 N ATOM 1302 CE2 TRP A 81 7.897 1.271 -1.565 1.00 1.44 C ATOM 1303 CE3 TRP A 81 5.950 1.660 -0.195 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.129 0.698 -2.567 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.188 1.093 -1.190 1.00 2.78 C ATOM 1306 CH2 TRP A 81 5.777 0.619 -2.364 1.00 2.79 C ATOM 0 H TRP A 81 8.443 3.267 4.270 1.00 0.50 H new ATOM 0 HA TRP A 81 7.029 1.318 2.664 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.466 3.594 1.794 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.189 3.386 2.039 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.525 2.378 0.033 1.00 0.74 H new ATOM 0 HE1 TRP A 81 9.934 1.200 -2.192 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.487 2.026 0.710 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.581 0.327 -3.475 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.119 1.013 -1.061 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.153 0.181 -3.129 1.00 2.79 H new ATOM 1317 N ARG A 82 8.779 -0.340 2.072 1.00 0.54 N ATOM 1318 CA ARG A 82 9.783 -1.314 1.712 1.00 0.74 C ATOM 1319 C ARG A 82 9.977 -1.293 0.202 1.00 0.81 C ATOM 1320 O ARG A 82 10.898 -0.649 -0.282 1.00 1.47 O ATOM 1321 CB ARG A 82 9.399 -2.716 2.185 1.00 1.06 C ATOM 1322 CG ARG A 82 10.536 -3.732 2.109 1.00 1.64 C ATOM 1323 CD ARG A 82 10.615 -4.419 0.752 1.00 2.68 C ATOM 1324 NE ARG A 82 11.881 -5.130 0.568 1.00 3.63 N ATOM 1325 CZ ARG A 82 12.041 -6.222 -0.178 1.00 4.53 C ATOM 1326 NH1 ARG A 82 11.008 -6.769 -0.810 1.00 4.80 N ATOM 1327 NH2 ARG A 82 13.247 -6.758 -0.302 1.00 5.46 N ATOM 0 H ARG A 82 7.841 -0.556 1.734 1.00 0.54 H new ATOM 0 HA ARG A 82 10.718 -1.052 2.207 1.00 0.74 H new ATOM 0 HB2 ARG A 82 9.047 -2.657 3.215 1.00 1.06 H new ATOM 0 HB3 ARG A 82 8.564 -3.075 1.583 1.00 1.06 H new ATOM 0 HG2 ARG A 82 11.482 -3.230 2.314 1.00 1.64 H new ATOM 0 HG3 ARG A 82 10.399 -4.484 2.886 1.00 1.64 H new ATOM 0 HD2 ARG A 82 9.787 -5.121 0.653 1.00 2.68 H new ATOM 0 HD3 ARG A 82 10.499 -3.676 -0.037 1.00 2.68 H new ATOM 0 HE ARG A 82 12.703 -4.762 1.047 1.00 3.63 H new ATOM 0 HH11 ARG A 82 10.081 -6.353 -0.727 1.00 4.80 H new ATOM 0 HH12 ARG A 82 11.143 -7.605 -1.378 1.00 4.80 H new ATOM 0 HH21 ARG A 82 14.045 -6.334 0.172 1.00 5.46 H new ATOM 0 HH22 ARG A 82 13.377 -7.594 -0.871 1.00 5.46 H new ATOM 1341 N LEU A 83 9.065 -1.947 -0.537 1.00 0.79 N ATOM 1342 CA LEU A 83 9.208 -2.116 -1.988 1.00 0.86 C ATOM 1343 C LEU A 83 8.010 -2.822 -2.625 1.00 0.81 C ATOM 1344 O LEU A 83 6.891 -2.324 -2.649 1.00 1.21 O ATOM 1345 CB LEU A 83 10.423 -2.970 -2.336 1.00 1.23 C ATOM 1346 CG LEU A 83 11.778 -2.355 -2.214 1.00 1.13 C ATOM 1347 CD1 LEU A 83 12.782 -3.475 -2.278 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.991 -1.361 -3.334 1.00 1.28 C ATOM 0 H LEU A 83 8.220 -2.367 -0.150 1.00 0.79 H new ATOM 0 HA LEU A 83 9.302 -1.101 -2.373 1.00 0.86 H new ATOM 0 HB2 LEU A 83 10.401 -3.855 -1.700 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.305 -3.313 -3.364 1.00 1.23 H new ATOM 0 HG LEU A 83 11.886 -1.813 -1.274 1.00 1.13 H new ATOM 0 HD11 LEU A 83 13.789 -3.066 -2.192 1.00 1.55 H new ATOM 0 HD12 LEU A 83 12.602 -4.172 -1.460 1.00 1.55 H new ATOM 0 HD13 LEU A 83 12.683 -3.999 -3.229 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.981 -0.915 -3.241 1.00 1.28 H new ATOM 0 HD22 LEU A 83 11.912 -1.872 -4.294 1.00 1.28 H new ATOM 0 HD23 LEU A 83 11.234 -0.579 -3.276 1.00 1.28 H new ATOM 1360 N ASN A 84 8.299 -4.035 -3.087 1.00 0.76 N ATOM 1361 CA ASN A 84 7.484 -4.794 -4.000 1.00 1.00 C ATOM 1362 C ASN A 84 8.306 -6.049 -4.266 1.00 1.25 C ATOM 1363 O ASN A 84 9.230 -6.331 -3.501 1.00 1.93 O ATOM 1364 CB ASN A 84 7.252 -3.987 -5.290 1.00 1.26 C ATOM 1365 CG ASN A 84 6.130 -4.530 -6.169 1.00 1.08 C ATOM 1366 OD1 ASN A 84 5.866 -5.729 -6.197 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.459 -3.650 -6.897 1.00 0.94 N ATOM 0 H ASN A 84 9.149 -4.529 -2.816 1.00 0.76 H new ATOM 0 HA ASN A 84 6.495 -5.030 -3.608 1.00 1.00 H new ATOM 0 HB2 ASN A 84 7.024 -2.955 -5.024 1.00 1.26 H new ATOM 0 HB3 ASN A 84 8.176 -3.971 -5.867 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.700 -3.962 -7.502 1.00 0.94 H new ATOM 0 HD22 ASN A 84 5.702 -2.660 -6.852 1.00 0.94 H new ATOM 1374 N GLY A 85 8.024 -6.781 -5.317 1.00 1.69 N ATOM 1375 CA GLY A 85 8.849 -7.919 -5.636 1.00 2.21 C ATOM 1376 C GLY A 85 9.295 -7.915 -7.081 1.00 1.96 C ATOM 1377 O GLY A 85 9.140 -8.909 -7.784 1.00 2.40 O ATOM 0 H GLY A 85 7.245 -6.614 -5.954 1.00 1.69 H new ATOM 0 HA2 GLY A 85 9.725 -7.924 -4.987 1.00 2.21 H new ATOM 0 HA3 GLY A 85 8.296 -8.835 -5.431 1.00 2.21 H new ATOM 1381 N PHE A 86 9.837 -6.790 -7.533 1.00 1.79 N ATOM 1382 CA PHE A 86 10.332 -6.696 -8.903 1.00 2.29 C ATOM 1383 C PHE A 86 11.639 -5.909 -8.983 1.00 2.14 C ATOM 1384 O PHE A 86 11.635 -4.717 -9.286 1.00 2.77 O ATOM 1385 CB PHE A 86 9.280 -6.051 -9.803 1.00 3.16 C ATOM 1386 CG PHE A 86 9.588 -6.154 -11.273 1.00 3.79 C ATOM 1387 CD1 PHE A 86 9.987 -5.038 -11.992 1.00 4.45 C ATOM 1388 CD2 PHE A 86 9.482 -7.368 -11.932 1.00 4.03 C ATOM 1389 CE1 PHE A 86 10.274 -5.130 -13.340 1.00 5.26 C ATOM 1390 CE2 PHE A 86 9.767 -7.467 -13.282 1.00 4.80 C ATOM 1391 CZ PHE A 86 10.163 -6.346 -13.986 1.00 5.38 C ATOM 0 H PHE A 86 9.945 -5.940 -6.980 1.00 1.79 H new ATOM 0 HA PHE A 86 10.532 -7.710 -9.248 1.00 2.29 H new ATOM 0 HB2 PHE A 86 8.315 -6.520 -9.610 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.183 -4.999 -9.535 1.00 3.16 H new ATOM 0 HD1 PHE A 86 10.075 -4.085 -11.492 1.00 4.45 H new ATOM 0 HD2 PHE A 86 9.173 -8.247 -11.386 1.00 4.03 H new ATOM 0 HE1 PHE A 86 10.585 -4.253 -13.888 1.00 5.26 H new ATOM 0 HE2 PHE A 86 9.680 -8.419 -13.785 1.00 4.80 H new ATOM 0 HZ PHE A 86 10.386 -6.420 -15.040 1.00 5.38 H new ATOM 1401 N GLY A 87 12.734 -6.572 -8.631 1.00 1.90 N ATOM 1402 CA GLY A 87 14.071 -6.040 -8.885 1.00 2.08 C ATOM 1403 C GLY A 87 14.296 -4.706 -8.217 1.00 1.87 C ATOM 1404 O GLY A 87 14.758 -3.750 -8.840 1.00 2.30 O ATOM 0 H GLY A 87 12.724 -7.481 -8.168 1.00 1.90 H new ATOM 0 HA2 GLY A 87 14.816 -6.752 -8.529 1.00 2.08 H new ATOM 0 HA3 GLY A 87 14.219 -5.935 -9.960 1.00 2.08 H new ATOM 1408 N ARG A 88 13.978 -4.650 -6.942 1.00 1.33 N ATOM 1409 CA ARG A 88 13.927 -3.396 -6.225 1.00 1.18 C ATOM 1410 C ARG A 88 14.735 -3.451 -4.916 1.00 1.09 C ATOM 1411 O ARG A 88 14.938 -4.519 -4.349 1.00 1.21 O ATOM 1412 CB ARG A 88 12.448 -3.079 -5.966 1.00 0.98 C ATOM 1413 CG ARG A 88 11.567 -4.328 -5.854 1.00 1.64 C ATOM 1414 CD ARG A 88 12.028 -5.236 -4.725 1.00 2.32 C ATOM 1415 NE ARG A 88 12.070 -6.655 -5.100 1.00 3.00 N ATOM 1416 CZ ARG A 88 13.099 -7.474 -4.836 1.00 3.96 C ATOM 1417 NH1 ARG A 88 14.205 -7.009 -4.276 1.00 4.44 N ATOM 1418 NH2 ARG A 88 13.022 -8.758 -5.144 1.00 4.77 N ATOM 0 H ARG A 88 13.749 -5.467 -6.377 1.00 1.33 H new ATOM 0 HA ARG A 88 14.385 -2.605 -6.819 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.364 -2.501 -5.046 1.00 0.98 H new ATOM 0 HB3 ARG A 88 12.072 -2.450 -6.773 1.00 0.98 H new ATOM 0 HG2 ARG A 88 10.532 -4.031 -5.684 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.590 -4.876 -6.796 1.00 1.64 H new ATOM 0 HD2 ARG A 88 13.020 -4.924 -4.400 1.00 2.32 H new ATOM 0 HD3 ARG A 88 11.360 -5.112 -3.873 1.00 2.32 H new ATOM 0 HE ARG A 88 11.265 -7.043 -5.593 1.00 3.00 H new ATOM 0 HH11 ARG A 88 14.280 -6.019 -4.041 1.00 4.44 H new ATOM 0 HH12 ARG A 88 14.982 -7.640 -4.080 1.00 4.44 H new ATOM 0 HH21 ARG A 88 12.179 -9.127 -5.583 1.00 4.77 H new ATOM 0 HH22 ARG A 88 13.806 -9.379 -4.942 1.00 4.77 H new ATOM 1432 N ILE A 89 15.205 -2.300 -4.454 1.00 1.08 N ATOM 1433 CA ILE A 89 15.945 -2.204 -3.185 1.00 1.08 C ATOM 1434 C ILE A 89 15.159 -1.364 -2.176 1.00 1.04 C ATOM 1435 O ILE A 89 14.645 -0.302 -2.526 1.00 1.15 O ATOM 1436 CB ILE A 89 17.372 -1.626 -3.408 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.009 -1.107 -2.098 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.338 -0.537 -4.466 1.00 1.11 C ATOM 1439 CD1 ILE A 89 17.598 0.306 -1.699 1.00 1.70 C ATOM 0 H ILE A 89 15.090 -1.409 -4.937 1.00 1.08 H new ATOM 0 HA ILE A 89 16.061 -3.209 -2.779 1.00 1.08 H new ATOM 0 HB ILE A 89 18.004 -2.442 -3.760 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.746 -1.788 -1.289 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.094 -1.139 -2.201 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.343 -0.141 -4.613 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.971 -0.953 -5.404 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.675 0.265 -4.141 1.00 1.11 H new ATOM 0 HD11 ILE A 89 18.095 0.581 -0.769 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.886 1.004 -2.485 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.518 0.345 -1.558 1.00 1.70 H new ATOM 1451 N ASP A 90 15.071 -1.826 -0.928 1.00 1.05 N ATOM 1452 CA ASP A 90 14.253 -1.149 0.070 1.00 1.15 C ATOM 1453 C ASP A 90 15.107 -0.337 1.024 1.00 1.01 C ATOM 1454 O ASP A 90 16.233 -0.718 1.349 1.00 1.14 O ATOM 1455 CB ASP A 90 13.390 -2.147 0.854 1.00 1.54 C ATOM 1456 CG ASP A 90 14.186 -3.227 1.564 1.00 2.36 C ATOM 1457 OD1 ASP A 90 14.513 -3.035 2.753 1.00 2.64 O ATOM 1458 OD2 ASP A 90 14.535 -4.240 0.928 1.00 3.18 O ATOM 0 H ASP A 90 15.553 -2.659 -0.589 1.00 1.05 H new ATOM 0 HA ASP A 90 13.592 -0.468 -0.465 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.800 -1.601 1.590 1.00 1.54 H new ATOM 0 HB3 ASP A 90 12.686 -2.620 0.169 1.00 1.54 H new ATOM 1463 N PRO A 91 14.579 0.812 1.462 1.00 1.32 N ATOM 1464 CA PRO A 91 15.243 1.659 2.442 1.00 1.52 C ATOM 1465 C PRO A 91 15.343 0.952 3.780 1.00 1.24 C ATOM 1466 O PRO A 91 16.405 0.920 4.403 1.00 1.58 O ATOM 1467 CB PRO A 91 14.335 2.889 2.562 1.00 2.16 C ATOM 1468 CG PRO A 91 13.387 2.811 1.412 1.00 2.36 C ATOM 1469 CD PRO A 91 13.290 1.366 1.028 1.00 1.92 C ATOM 0 HA PRO A 91 16.260 1.914 2.145 1.00 1.52 H new ATOM 0 HB2 PRO A 91 13.799 2.888 3.511 1.00 2.16 H new ATOM 0 HB3 PRO A 91 14.918 3.810 2.526 1.00 2.16 H new ATOM 0 HG2 PRO A 91 12.409 3.204 1.690 1.00 2.36 H new ATOM 0 HG3 PRO A 91 13.745 3.410 0.575 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.453 0.874 1.524 1.00 1.92 H new ATOM 0 HD3 PRO A 91 13.141 1.244 -0.045 1.00 1.92 H new ATOM 1477 N ASP A 92 14.214 0.393 4.210 1.00 1.06 N ATOM 1478 CA ASP A 92 14.140 -0.380 5.442 1.00 1.34 C ATOM 1479 C ASP A 92 14.425 0.514 6.649 1.00 1.18 C ATOM 1480 O ASP A 92 14.912 0.068 7.682 1.00 1.61 O ATOM 1481 CB ASP A 92 15.104 -1.575 5.366 1.00 1.93 C ATOM 1482 CG ASP A 92 14.999 -2.508 6.557 1.00 2.60 C ATOM 1483 OD1 ASP A 92 13.988 -3.236 6.658 1.00 2.98 O ATOM 1484 OD2 ASP A 92 15.937 -2.539 7.384 1.00 2.99 O ATOM 0 H ASP A 92 13.326 0.465 3.712 1.00 1.06 H new ATOM 0 HA ASP A 92 13.131 -0.775 5.566 1.00 1.34 H new ATOM 0 HB2 ASP A 92 14.903 -2.137 4.454 1.00 1.93 H new ATOM 0 HB3 ASP A 92 16.126 -1.204 5.293 1.00 1.93 H new ATOM 1489 N ASN A 93 14.089 1.791 6.519 1.00 1.06 N ATOM 1490 CA ASN A 93 14.270 2.729 7.616 1.00 1.26 C ATOM 1491 C ASN A 93 13.086 3.683 7.742 1.00 1.04 C ATOM 1492 O ASN A 93 12.468 3.768 8.803 1.00 1.49 O ATOM 1493 CB ASN A 93 15.589 3.510 7.486 1.00 1.65 C ATOM 1494 CG ASN A 93 15.755 4.241 6.164 1.00 2.22 C ATOM 1495 OD1 ASN A 93 15.280 5.363 5.990 1.00 3.06 O ATOM 1496 ND2 ASN A 93 16.453 3.618 5.233 1.00 2.21 N ATOM 0 H ASN A 93 13.693 2.197 5.671 1.00 1.06 H new ATOM 0 HA ASN A 93 14.322 2.138 8.531 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.651 4.234 8.298 1.00 1.65 H new ATOM 0 HB3 ASN A 93 16.422 2.818 7.612 1.00 1.65 H new ATOM 0 HD21 ASN A 93 16.615 4.066 4.331 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.831 2.688 5.415 1.00 2.21 H new ATOM 1503 N SER A 94 12.752 4.387 6.671 1.00 0.68 N ATOM 1504 CA SER A 94 11.685 5.368 6.735 1.00 0.77 C ATOM 1505 C SER A 94 10.751 5.263 5.527 1.00 0.72 C ATOM 1506 O SER A 94 10.175 4.203 5.274 1.00 1.22 O ATOM 1507 CB SER A 94 12.284 6.773 6.848 1.00 1.19 C ATOM 1508 OG SER A 94 13.153 7.054 5.760 1.00 1.85 O ATOM 0 H SER A 94 13.199 4.298 5.759 1.00 0.68 H new ATOM 0 HA SER A 94 11.083 5.167 7.621 1.00 0.77 H new ATOM 0 HB2 SER A 94 11.482 7.511 6.876 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.832 6.862 7.786 1.00 1.19 H new ATOM 0 HG SER A 94 13.951 6.488 5.824 1.00 1.85 H new ATOM 1514 N SER A 95 10.631 6.361 4.776 1.00 0.60 N ATOM 1515 CA SER A 95 9.679 6.460 3.678 1.00 0.67 C ATOM 1516 C SER A 95 8.279 6.147 4.206 1.00 0.70 C ATOM 1517 O SER A 95 7.574 5.283 3.691 1.00 1.27 O ATOM 1518 CB SER A 95 10.077 5.511 2.542 1.00 0.93 C ATOM 1519 OG SER A 95 9.454 5.876 1.324 1.00 1.44 O ATOM 0 H SER A 95 11.192 7.202 4.915 1.00 0.60 H new ATOM 0 HA SER A 95 9.682 7.472 3.272 1.00 0.67 H new ATOM 0 HB2 SER A 95 11.160 5.524 2.417 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.798 4.490 2.804 1.00 0.93 H new ATOM 0 HG SER A 95 8.523 6.129 1.496 1.00 1.44 H new ATOM 1525 N GLU A 96 7.897 6.876 5.243 1.00 0.48 N ATOM 1526 CA GLU A 96 6.682 6.600 5.993 1.00 0.45 C ATOM 1527 C GLU A 96 5.472 7.313 5.387 1.00 0.45 C ATOM 1528 O GLU A 96 5.589 8.428 4.871 1.00 0.60 O ATOM 1529 CB GLU A 96 6.918 7.045 7.433 1.00 0.56 C ATOM 1530 CG GLU A 96 5.740 6.871 8.363 1.00 1.11 C ATOM 1531 CD GLU A 96 6.088 7.307 9.765 1.00 1.30 C ATOM 1532 OE1 GLU A 96 6.192 8.527 10.004 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.223 6.432 10.648 1.00 1.33 O ATOM 0 H GLU A 96 8.423 7.678 5.589 1.00 0.48 H new ATOM 0 HA GLU A 96 6.458 5.534 5.957 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.763 6.486 7.835 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.205 8.097 7.429 1.00 0.56 H new ATOM 0 HG2 GLU A 96 4.894 7.453 7.997 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.429 5.826 8.370 1.00 1.11 H new ATOM 1540 N PHE A 97 4.320 6.651 5.432 1.00 0.39 N ATOM 1541 CA PHE A 97 3.076 7.222 4.928 1.00 0.40 C ATOM 1542 C PHE A 97 2.156 7.599 6.075 1.00 0.41 C ATOM 1543 O PHE A 97 2.143 6.938 7.117 1.00 0.53 O ATOM 1544 CB PHE A 97 2.251 6.236 4.088 1.00 0.51 C ATOM 1545 CG PHE A 97 2.930 5.480 2.984 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.209 4.972 3.118 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.235 5.232 1.814 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.784 4.239 2.105 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.808 4.505 0.793 1.00 0.64 C ATOM 1550 CZ PHE A 97 4.084 4.008 0.941 1.00 0.63 C ATOM 0 H PHE A 97 4.223 5.711 5.816 1.00 0.39 H new ATOM 0 HA PHE A 97 3.391 8.074 4.326 1.00 0.40 H new ATOM 0 HB2 PHE A 97 1.817 5.505 4.770 1.00 0.51 H new ATOM 0 HB3 PHE A 97 1.423 6.791 3.647 1.00 0.51 H new ATOM 0 HD1 PHE A 97 4.763 5.152 4.027 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.231 5.613 1.699 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.783 3.845 2.222 1.00 0.53 H new ATOM 0 HE2 PHE A 97 2.259 4.326 -0.119 1.00 0.64 H new ATOM 0 HZ PHE A 97 4.536 3.437 0.144 1.00 0.63 H new ATOM 1560 N THR A 98 1.374 8.639 5.859 1.00 0.35 N ATOM 1561 CA THR A 98 0.163 8.858 6.616 1.00 0.36 C ATOM 1562 C THR A 98 -1.028 8.677 5.681 1.00 0.33 C ATOM 1563 O THR A 98 -1.388 9.589 4.933 1.00 0.36 O ATOM 1564 CB THR A 98 0.094 10.263 7.245 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.291 10.535 7.990 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.123 10.364 8.162 1.00 0.40 C ATOM 0 H THR A 98 1.562 9.353 5.155 1.00 0.35 H new ATOM 0 HA THR A 98 0.149 8.138 7.434 1.00 0.36 H new ATOM 0 HB THR A 98 0.003 11.000 6.447 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.852 11.164 7.490 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.165 11.360 8.603 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.030 10.185 7.584 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.044 9.620 8.954 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.601 7.485 5.681 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.745 7.196 4.835 1.00 0.35 C ATOM 1576 C VAL A 99 -4.021 7.669 5.514 1.00 0.31 C ATOM 1577 O VAL A 99 -4.436 7.103 6.521 1.00 0.32 O ATOM 1578 CB VAL A 99 -2.851 5.686 4.522 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.114 5.379 3.740 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.637 5.203 3.746 1.00 0.87 C ATOM 0 H VAL A 99 -1.292 6.702 6.258 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.609 7.728 3.893 1.00 0.35 H new ATOM 0 HB VAL A 99 -2.891 5.158 5.475 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.163 4.310 3.533 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -4.985 5.676 4.324 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.103 5.930 2.800 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -1.738 4.138 3.539 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.565 5.750 2.806 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -0.736 5.375 4.336 1.00 0.87 H new ATOM 1590 N THR A 100 -4.628 8.716 4.973 1.00 0.31 N ATOM 1591 CA THR A 100 -5.837 9.273 5.551 1.00 0.30 C ATOM 1592 C THR A 100 -7.050 8.971 4.683 1.00 0.26 C ATOM 1593 O THR A 100 -7.210 9.540 3.607 1.00 0.28 O ATOM 1594 CB THR A 100 -5.708 10.796 5.735 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.541 11.095 6.515 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.942 11.370 6.418 1.00 0.36 C ATOM 0 H THR A 100 -4.301 9.195 4.134 1.00 0.31 H new ATOM 0 HA THR A 100 -5.975 8.806 6.526 1.00 0.30 H new ATOM 0 HB THR A 100 -5.616 11.252 4.749 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.463 12.065 6.628 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.825 12.447 6.536 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.823 11.165 5.810 1.00 0.36 H new ATOM 0 HG23 THR A 100 -7.063 10.909 7.398 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.894 8.066 5.149 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.124 7.746 4.448 1.00 0.24 C ATOM 1606 C PHE A 101 -10.237 8.687 4.881 1.00 0.25 C ATOM 1607 O PHE A 101 -10.663 8.666 6.038 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.546 6.300 4.713 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.711 5.268 4.016 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.809 5.082 2.649 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -7.812 4.494 4.731 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.027 4.141 2.008 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.031 3.549 4.096 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.188 3.342 2.718 1.00 0.29 C ATOM 0 H PHE A 101 -7.749 7.540 6.011 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.942 7.866 3.380 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.507 6.115 5.786 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.584 6.176 4.405 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.504 5.679 2.077 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.721 4.631 5.798 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.083 4.040 0.934 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.307 2.975 4.655 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.644 2.551 2.223 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.693 9.515 3.957 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.780 10.443 4.231 1.00 0.31 C ATOM 1626 C VAL A 102 -13.109 9.852 3.771 1.00 0.30 C ATOM 1627 O VAL A 102 -13.312 9.613 2.579 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.549 11.801 3.532 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.693 12.762 3.820 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.222 12.408 3.968 1.00 0.54 C ATOM 0 H VAL A 102 -10.327 9.565 3.006 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.809 10.610 5.308 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.514 11.626 2.457 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.507 13.711 3.317 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.627 12.335 3.455 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.766 12.929 4.895 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -10.077 13.364 3.465 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -10.230 12.563 5.047 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.409 11.732 3.704 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.999 9.599 4.723 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.304 9.022 4.423 1.00 0.35 C ATOM 1642 C ALA A 103 -16.175 10.003 3.635 1.00 0.39 C ATOM 1643 O ALA A 103 -16.122 11.214 3.858 1.00 0.44 O ATOM 1644 CB ALA A 103 -16.006 8.610 5.711 1.00 0.44 C ATOM 0 H ALA A 103 -13.840 9.785 5.713 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.148 8.138 3.805 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.979 8.181 5.474 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.401 7.870 6.234 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -16.141 9.484 6.348 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.966 9.473 2.708 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.868 10.284 1.898 1.00 0.57 C ATOM 1652 C ASP A 104 -19.213 9.589 1.734 1.00 0.64 C ATOM 1653 O ASP A 104 -19.337 8.622 0.980 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.269 10.552 0.516 1.00 0.58 C ATOM 1655 CG ASP A 104 -18.170 11.416 -0.348 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -18.064 12.658 -0.274 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -18.983 10.856 -1.112 1.00 2.03 O ATOM 0 H ASP A 104 -17.000 8.475 2.498 1.00 0.48 H new ATOM 0 HA ASP A 104 -18.012 11.233 2.415 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.302 11.042 0.631 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.088 9.603 0.011 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.205 10.062 2.474 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.564 9.560 2.331 1.00 0.83 C ATOM 1664 C GLY A 105 -21.713 8.087 2.666 1.00 1.06 C ATOM 1665 O GLY A 105 -22.705 7.464 2.289 1.00 1.97 O ATOM 0 H GLY A 105 -20.095 10.791 3.178 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -22.225 10.138 2.977 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.896 9.725 1.306 1.00 0.83 H new ATOM 1669 N GLN A 106 -20.718 7.527 3.357 1.00 1.24 N ATOM 1670 CA GLN A 106 -20.736 6.120 3.774 1.00 2.07 C ATOM 1671 C GLN A 106 -20.760 5.160 2.575 1.00 1.73 C ATOM 1672 O GLN A 106 -21.056 3.974 2.726 1.00 2.51 O ATOM 1673 CB GLN A 106 -21.930 5.847 4.697 1.00 2.98 C ATOM 1674 CG GLN A 106 -21.858 6.596 6.020 1.00 3.83 C ATOM 1675 CD GLN A 106 -23.077 6.371 6.896 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -24.231 6.173 6.277 1.00 4.84 O flip ATOM 1677 NE2 GLN A 106 -22.983 6.388 8.124 1.00 4.93 N flip ATOM 0 H GLN A 106 -19.879 8.032 3.643 1.00 1.24 H new ATOM 0 HA GLN A 106 -19.811 5.936 4.321 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -22.849 6.125 4.181 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -21.987 4.777 4.897 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -20.966 6.282 6.561 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -21.752 7.663 5.822 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -22.076 6.544 8.564 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -23.812 6.246 8.701 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.453 5.674 1.388 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.341 4.832 0.197 1.00 0.48 C ATOM 1688 C LYS A 107 -19.095 5.186 -0.599 1.00 0.38 C ATOM 1689 O LYS A 107 -18.634 4.411 -1.426 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.554 4.976 -0.720 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.875 4.567 -0.096 1.00 1.55 C ATOM 1692 CD LYS A 107 -24.023 4.805 -1.061 1.00 2.23 C ATOM 1693 CE LYS A 107 -25.352 4.351 -0.484 1.00 2.95 C ATOM 1694 NZ LYS A 107 -26.477 4.653 -1.407 1.00 3.53 N ATOM 0 H LYS A 107 -20.278 6.665 1.223 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.283 3.802 0.550 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.627 6.015 -1.043 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.389 4.375 -1.614 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.840 3.514 0.182 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.041 5.134 0.820 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -24.077 5.866 -1.306 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -23.831 4.272 -1.992 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -25.318 3.279 -0.288 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -25.522 4.845 0.473 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -27.370 4.330 -0.983 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -26.524 5.678 -1.574 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -26.326 4.162 -2.311 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.556 6.363 -0.356 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.378 6.812 -1.068 1.00 0.29 C ATOM 1710 C LYS A 108 -16.283 7.124 -0.067 1.00 0.27 C ATOM 1711 O LYS A 108 -16.563 7.336 1.111 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.703 8.052 -1.910 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.639 8.395 -2.943 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.235 8.691 -4.316 1.00 1.09 C ATOM 1715 CE LYS A 108 -17.911 10.055 -4.392 1.00 1.62 C ATOM 1716 NZ LYS A 108 -19.175 10.119 -3.611 1.00 2.44 N ATOM 0 H LYS A 108 -18.916 7.027 0.330 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.039 6.025 -1.742 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.653 7.893 -2.421 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -17.838 8.905 -1.245 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -16.071 9.261 -2.602 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -15.936 7.566 -3.026 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -16.446 8.641 -5.067 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.962 7.917 -4.565 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -17.224 10.817 -4.024 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -18.122 10.293 -5.435 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -19.755 10.912 -3.953 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -19.701 9.230 -3.729 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -18.954 10.260 -2.605 1.00 2.44 H new ATOM 1730 N THR A 109 -15.045 7.111 -0.517 1.00 0.26 N ATOM 1731 CA THR A 109 -13.932 7.464 0.342 1.00 0.25 C ATOM 1732 C THR A 109 -12.760 7.986 -0.465 1.00 0.26 C ATOM 1733 O THR A 109 -12.272 7.320 -1.374 1.00 0.35 O ATOM 1734 CB THR A 109 -13.480 6.265 1.199 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.531 5.905 2.094 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.222 6.588 1.997 1.00 0.42 C ATOM 0 H THR A 109 -14.784 6.860 -1.471 1.00 0.26 H new ATOM 0 HA THR A 109 -14.281 8.254 1.007 1.00 0.25 H new ATOM 0 HB THR A 109 -13.250 5.436 0.530 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.232 6.589 2.068 1.00 0.39 H new ATOM 0 HG21 THR A 109 -11.934 5.719 2.589 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.413 6.846 1.313 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.418 7.430 2.661 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.340 9.192 -0.146 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.159 9.766 -0.738 1.00 0.27 C ATOM 1746 C ARG A 110 -9.986 9.587 0.209 1.00 0.26 C ATOM 1747 O ARG A 110 -9.931 10.216 1.265 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.378 11.254 -1.026 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.113 11.983 -1.447 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.592 11.481 -2.781 1.00 0.62 C ATOM 1751 NE ARG A 110 -10.478 11.852 -3.883 1.00 1.27 N ATOM 1752 CZ ARG A 110 -10.255 12.872 -4.711 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -9.191 13.653 -4.550 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -11.114 13.124 -5.687 1.00 2.59 N ATOM 0 H ARG A 110 -12.808 9.797 0.529 1.00 0.25 H new ATOM 0 HA ARG A 110 -10.947 9.260 -1.680 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.126 11.357 -1.812 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.784 11.732 -0.135 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.315 13.052 -1.514 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.346 11.851 -0.684 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.598 11.890 -2.960 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -9.489 10.396 -2.746 1.00 0.62 H new ATOM 0 HE ARG A 110 -11.320 11.295 -4.027 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -8.537 13.474 -3.788 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -9.028 14.431 -5.189 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -11.941 12.539 -5.802 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -10.948 13.903 -6.324 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.069 8.705 -0.138 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.867 8.559 0.658 1.00 0.27 C ATOM 1770 C VAL A 111 -6.859 9.609 0.241 1.00 0.29 C ATOM 1771 O VAL A 111 -6.639 9.839 -0.953 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.218 7.164 0.546 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.730 6.906 -0.860 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.065 7.035 1.527 1.00 0.33 C ATOM 0 H VAL A 111 -9.130 8.090 -0.949 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.165 8.687 1.699 1.00 0.27 H new ATOM 0 HB VAL A 111 -7.976 6.420 0.790 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.277 5.916 -0.912 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.571 6.957 -1.552 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -5.990 7.659 -1.132 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.618 6.045 1.435 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.314 7.794 1.308 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.435 7.173 2.543 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.267 10.244 1.224 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.281 11.262 0.985 1.00 0.37 C ATOM 1786 C ASP A 112 -4.021 10.905 1.746 1.00 0.37 C ATOM 1787 O ASP A 112 -3.980 10.952 2.975 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.826 12.614 1.422 1.00 0.50 C ATOM 1789 CG ASP A 112 -5.116 13.755 0.744 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -4.078 14.199 1.273 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -5.587 14.216 -0.315 1.00 1.38 O ATOM 0 H ASP A 112 -6.457 10.067 2.210 1.00 0.31 H new ATOM 0 HA ASP A 112 -5.045 11.324 -0.077 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.891 12.665 1.197 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.723 12.714 2.503 1.00 0.50 H new ATOM 1796 N VAL A 113 -3.013 10.500 1.008 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.814 9.938 1.590 1.00 0.41 C ATOM 1798 C VAL A 113 -0.663 10.914 1.589 1.00 0.43 C ATOM 1799 O VAL A 113 -0.271 11.427 0.541 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.406 8.662 0.834 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.051 8.296 1.085 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -2.322 7.528 1.235 1.00 0.77 C ATOM 0 H VAL A 113 -3.000 10.550 -0.011 1.00 0.38 H new ATOM 0 HA VAL A 113 -2.045 9.699 2.628 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.505 8.849 -0.235 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.299 7.389 0.533 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.694 9.111 0.751 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.205 8.126 2.151 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -2.035 6.622 0.701 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -2.241 7.357 2.308 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -3.351 7.786 0.985 1.00 0.77 H new ATOM 1812 N GLU A 114 -0.136 11.157 2.772 1.00 0.47 N ATOM 1813 CA GLU A 114 1.106 11.879 2.917 1.00 0.55 C ATOM 1814 C GLU A 114 2.251 10.880 2.969 1.00 0.60 C ATOM 1815 O GLU A 114 2.361 10.095 3.904 1.00 0.62 O ATOM 1816 CB GLU A 114 1.071 12.751 4.179 1.00 0.67 C ATOM 1817 CG GLU A 114 2.385 13.456 4.498 1.00 1.31 C ATOM 1818 CD GLU A 114 3.287 12.642 5.413 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.894 12.393 6.576 1.00 2.31 O ATOM 1820 OE2 GLU A 114 4.397 12.265 4.984 1.00 2.05 O ATOM 0 H GLU A 114 -0.556 10.861 3.653 1.00 0.47 H new ATOM 0 HA GLU A 114 1.252 12.543 2.065 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.289 13.502 4.065 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.793 12.127 5.028 1.00 0.67 H new ATOM 0 HG2 GLU A 114 2.914 13.666 3.568 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.172 14.416 4.967 1.00 1.31 H new ATOM 1827 N HIS A 115 3.059 10.877 1.935 1.00 0.70 N ATOM 1828 CA HIS A 115 4.250 10.055 1.895 1.00 0.80 C ATOM 1829 C HIS A 115 5.425 10.960 1.605 1.00 0.89 C ATOM 1830 O HIS A 115 5.665 11.325 0.464 1.00 1.17 O ATOM 1831 CB HIS A 115 4.111 8.997 0.796 1.00 0.92 C ATOM 1832 CG HIS A 115 5.218 7.989 0.733 1.00 0.87 C ATOM 1833 ND1 HIS A 115 5.429 7.187 -0.369 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.159 7.637 1.634 1.00 1.36 C ATOM 1835 CE1 HIS A 115 6.447 6.385 -0.137 1.00 1.64 C ATOM 1836 NE2 HIS A 115 6.912 6.635 1.070 1.00 1.47 N ATOM 0 H HIS A 115 2.912 11.442 1.099 1.00 0.70 H new ATOM 0 HA HIS A 115 4.397 9.542 2.845 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.169 8.469 0.941 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.048 9.504 -0.167 1.00 0.92 H new ATOM 0 HD1 HIS A 115 4.882 7.211 -1.229 1.00 1.59 H new ATOM 0 HD2 HIS A 115 6.295 8.064 2.617 1.00 1.36 H new ATOM 0 HE1 HIS A 115 6.836 5.646 -0.822 1.00 1.64 H new ATOM 1845 N THR A 116 6.129 11.367 2.630 1.00 0.90 N ATOM 1846 CA THR A 116 7.202 12.323 2.431 1.00 1.08 C ATOM 1847 C THR A 116 8.280 12.217 3.491 1.00 0.83 C ATOM 1848 O THR A 116 8.066 12.565 4.649 1.00 1.67 O ATOM 1849 CB THR A 116 6.660 13.768 2.410 1.00 1.92 C ATOM 1850 OG1 THR A 116 5.587 13.876 1.467 1.00 2.67 O ATOM 1851 CG2 THR A 116 7.760 14.750 2.038 1.00 2.51 C ATOM 0 H THR A 116 5.988 11.063 3.593 1.00 0.90 H new ATOM 0 HA THR A 116 7.647 12.080 1.466 1.00 1.08 H new ATOM 0 HB THR A 116 6.295 14.009 3.408 1.00 1.92 H new ATOM 0 HG1 THR A 116 4.881 14.446 1.838 1.00 2.67 H new ATOM 0 HG21 THR A 116 7.356 15.762 2.029 1.00 2.51 H new ATOM 0 HG22 THR A 116 8.566 14.687 2.769 1.00 2.51 H new ATOM 0 HG23 THR A 116 8.147 14.505 1.049 1.00 2.51 H new ATOM 1859 N HIS A 117 9.430 11.700 3.084 1.00 0.72 N ATOM 1860 CA HIS A 117 10.651 11.805 3.883 1.00 1.13 C ATOM 1861 C HIS A 117 11.822 11.235 3.103 1.00 0.90 C ATOM 1862 O HIS A 117 12.760 11.950 2.752 1.00 0.97 O ATOM 1863 CB HIS A 117 10.522 11.085 5.233 1.00 1.98 C ATOM 1864 CG HIS A 117 11.469 11.610 6.274 1.00 2.07 C ATOM 1865 ND1 HIS A 117 11.090 12.519 7.235 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.783 11.363 6.492 1.00 2.33 C ATOM 1867 CE1 HIS A 117 12.126 12.813 7.996 1.00 2.60 C ATOM 1868 NE2 HIS A 117 13.169 12.126 7.568 1.00 2.63 N ATOM 0 H HIS A 117 9.547 11.201 2.202 1.00 0.72 H new ATOM 0 HA HIS A 117 10.821 12.861 4.091 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.499 11.187 5.596 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.704 10.020 5.089 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.411 10.691 5.925 1.00 2.33 H new ATOM 0 HE1 HIS A 117 12.122 13.500 8.829 1.00 2.60 H new ATOM 0 HE2 HIS A 117 14.106 12.156 7.969 1.00 2.63 H new ATOM 1877 N PHE A 118 11.747 9.947 2.814 1.00 0.76 N ATOM 1878 CA PHE A 118 12.787 9.269 2.057 1.00 0.76 C ATOM 1879 C PHE A 118 12.655 9.612 0.577 1.00 0.65 C ATOM 1880 O PHE A 118 13.635 9.628 -0.166 1.00 0.74 O ATOM 1881 CB PHE A 118 12.685 7.757 2.285 1.00 0.97 C ATOM 1882 CG PHE A 118 13.590 6.941 1.411 1.00 1.74 C ATOM 1883 CD1 PHE A 118 14.950 6.874 1.666 1.00 2.35 C ATOM 1884 CD2 PHE A 118 13.078 6.246 0.330 1.00 2.32 C ATOM 1885 CE1 PHE A 118 15.783 6.130 0.856 1.00 3.18 C ATOM 1886 CE2 PHE A 118 13.905 5.500 -0.483 1.00 3.21 C ATOM 1887 CZ PHE A 118 15.260 5.442 -0.221 1.00 3.54 C ATOM 0 H PHE A 118 10.972 9.346 3.094 1.00 0.76 H new ATOM 0 HA PHE A 118 13.767 9.603 2.397 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.915 7.542 3.328 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.655 7.444 2.115 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.363 7.410 2.508 1.00 2.35 H new ATOM 0 HD2 PHE A 118 12.019 6.288 0.121 1.00 2.32 H new ATOM 0 HE1 PHE A 118 16.842 6.086 1.064 1.00 3.18 H new ATOM 0 HE2 PHE A 118 13.494 4.961 -1.324 1.00 3.21 H new ATOM 0 HZ PHE A 118 15.909 4.859 -0.858 1.00 3.54 H new ATOM 1897 N ASP A 119 11.428 9.904 0.174 1.00 0.66 N ATOM 1898 CA ASP A 119 11.105 10.293 -1.190 1.00 0.75 C ATOM 1899 C ASP A 119 11.822 11.585 -1.546 1.00 0.74 C ATOM 1900 O ASP A 119 12.436 11.708 -2.604 1.00 0.83 O ATOM 1901 CB ASP A 119 9.595 10.514 -1.303 1.00 0.94 C ATOM 1902 CG ASP A 119 8.807 9.644 -0.341 1.00 1.34 C ATOM 1903 OD1 ASP A 119 8.130 8.708 -0.802 1.00 1.75 O ATOM 1904 OD2 ASP A 119 8.883 9.891 0.892 1.00 1.81 O ATOM 0 H ASP A 119 10.618 9.877 0.793 1.00 0.66 H new ATOM 0 HA ASP A 119 11.423 9.505 -1.873 1.00 0.75 H new ATOM 0 HB2 ASP A 119 9.369 11.562 -1.108 1.00 0.94 H new ATOM 0 HB3 ASP A 119 9.276 10.303 -2.324 1.00 0.94 H new ATOM 1909 N ARG A 120 11.733 12.540 -0.627 1.00 0.76 N ATOM 1910 CA ARG A 120 12.333 13.863 -0.784 1.00 0.89 C ATOM 1911 C ARG A 120 13.845 13.786 -1.016 1.00 0.83 C ATOM 1912 O ARG A 120 14.442 14.722 -1.549 1.00 1.00 O ATOM 1913 CB ARG A 120 12.023 14.719 0.449 1.00 1.07 C ATOM 1914 CG ARG A 120 12.412 16.178 0.295 1.00 1.50 C ATOM 1915 CD ARG A 120 11.933 17.007 1.473 1.00 1.71 C ATOM 1916 NE ARG A 120 12.247 18.421 1.304 1.00 2.15 N ATOM 1917 CZ ARG A 120 12.145 19.328 2.269 1.00 2.66 C ATOM 1918 NH1 ARG A 120 11.710 18.973 3.472 1.00 2.90 N ATOM 1919 NH2 ARG A 120 12.460 20.595 2.023 1.00 3.38 N ATOM 0 H ARG A 120 11.238 12.418 0.257 1.00 0.76 H new ATOM 0 HA ARG A 120 11.897 14.326 -1.670 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.956 14.658 0.663 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.546 14.302 1.310 1.00 1.07 H new ATOM 0 HG2 ARG A 120 13.495 16.260 0.207 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.987 16.574 -0.627 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.856 16.885 1.589 1.00 1.71 H new ATOM 0 HD3 ARG A 120 12.396 16.639 2.389 1.00 1.71 H new ATOM 0 HE ARG A 120 12.565 18.733 0.387 1.00 2.15 H new ATOM 0 HH11 ARG A 120 11.454 18.003 3.656 1.00 2.90 H new ATOM 0 HH12 ARG A 120 11.632 19.670 4.212 1.00 2.90 H new ATOM 0 HH21 ARG A 120 12.780 20.870 1.094 1.00 3.38 H new ATOM 0 HH22 ARG A 120 12.382 21.293 2.763 1.00 3.38 H new ATOM 1933 N MET A 121 14.464 12.672 -0.622 1.00 0.73 N ATOM 1934 CA MET A 121 15.900 12.478 -0.835 1.00 0.91 C ATOM 1935 C MET A 121 16.223 12.447 -2.329 1.00 1.12 C ATOM 1936 O MET A 121 17.378 12.588 -2.735 1.00 1.41 O ATOM 1937 CB MET A 121 16.384 11.198 -0.154 1.00 1.05 C ATOM 1938 CG MET A 121 16.276 11.242 1.361 1.00 1.28 C ATOM 1939 SD MET A 121 16.819 9.710 2.141 1.00 2.15 S ATOM 1940 CE MET A 121 16.600 10.120 3.873 1.00 2.43 C ATOM 0 H MET A 121 13.997 11.894 -0.156 1.00 0.73 H new ATOM 0 HA MET A 121 16.426 13.321 -0.386 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.803 10.355 -0.528 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.423 11.018 -0.432 1.00 1.05 H new ATOM 0 HG2 MET A 121 16.875 12.070 1.740 1.00 1.28 H new ATOM 0 HG3 MET A 121 15.242 11.441 1.642 1.00 1.28 H new ATOM 0 HE1 MET A 121 16.894 9.270 4.488 1.00 2.43 H new ATOM 0 HE2 MET A 121 17.219 10.981 4.124 1.00 2.43 H new ATOM 0 HE3 MET A 121 15.553 10.359 4.061 1.00 2.43 H new ATOM 1950 N GLY A 122 15.194 12.228 -3.135 1.00 1.18 N ATOM 1951 CA GLY A 122 15.287 12.468 -4.555 1.00 1.61 C ATOM 1952 C GLY A 122 16.113 11.460 -5.326 1.00 1.21 C ATOM 1953 O GLY A 122 15.819 10.268 -5.319 1.00 1.30 O ATOM 0 H GLY A 122 14.286 11.884 -2.822 1.00 1.18 H new ATOM 0 HA2 GLY A 122 14.280 12.483 -4.972 1.00 1.61 H new ATOM 0 HA3 GLY A 122 15.712 13.459 -4.713 1.00 1.61 H new ATOM 1957 N THR A 123 17.179 11.969 -5.933 1.00 1.27 N ATOM 1958 CA THR A 123 17.892 11.320 -7.035 1.00 1.42 C ATOM 1959 C THR A 123 18.015 9.793 -6.918 1.00 1.27 C ATOM 1960 O THR A 123 17.156 9.052 -7.409 1.00 1.24 O ATOM 1961 CB THR A 123 19.293 11.936 -7.187 1.00 1.94 C ATOM 1962 OG1 THR A 123 19.206 13.366 -7.076 1.00 2.44 O ATOM 1963 CG2 THR A 123 19.909 11.569 -8.527 1.00 2.58 C ATOM 0 H THR A 123 17.584 12.867 -5.668 1.00 1.27 H new ATOM 0 HA THR A 123 17.281 11.502 -7.919 1.00 1.42 H new ATOM 0 HB THR A 123 19.928 11.540 -6.395 1.00 1.94 H new ATOM 0 HG1 THR A 123 20.100 13.756 -7.171 1.00 2.44 H new ATOM 0 HG21 THR A 123 20.899 12.018 -8.607 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.995 10.485 -8.603 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.276 11.941 -9.333 1.00 2.58 H new ATOM 1971 N LYS A 124 19.070 9.322 -6.268 1.00 1.28 N ATOM 1972 CA LYS A 124 19.409 7.906 -6.316 1.00 1.24 C ATOM 1973 C LYS A 124 18.516 7.071 -5.410 1.00 1.05 C ATOM 1974 O LYS A 124 18.188 5.932 -5.742 1.00 1.04 O ATOM 1975 CB LYS A 124 20.874 7.697 -5.946 1.00 1.43 C ATOM 1976 CG LYS A 124 21.838 8.369 -6.908 1.00 2.04 C ATOM 1977 CD LYS A 124 23.280 8.040 -6.573 1.00 2.45 C ATOM 1978 CE LYS A 124 24.243 8.759 -7.502 1.00 3.14 C ATOM 1979 NZ LYS A 124 23.985 8.441 -8.931 1.00 3.80 N ATOM 0 H LYS A 124 19.701 9.893 -5.706 1.00 1.28 H new ATOM 0 HA LYS A 124 19.243 7.570 -7.339 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.046 8.083 -4.941 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.086 6.628 -5.918 1.00 1.43 H new ATOM 0 HG2 LYS A 124 21.618 8.049 -7.927 1.00 2.04 H new ATOM 0 HG3 LYS A 124 21.693 9.449 -6.874 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.489 8.322 -5.541 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.436 6.964 -6.647 1.00 2.45 H new ATOM 0 HE2 LYS A 124 24.158 9.835 -7.350 1.00 3.14 H new ATOM 0 HE3 LYS A 124 25.266 8.481 -7.248 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 24.778 8.783 -9.511 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 23.890 7.412 -9.046 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 23.106 8.906 -9.237 1.00 3.80 H new ATOM 1993 N HIS A 125 18.117 7.636 -4.280 1.00 0.96 N ATOM 1994 CA HIS A 125 17.321 6.899 -3.302 1.00 0.85 C ATOM 1995 C HIS A 125 15.945 6.560 -3.865 1.00 0.76 C ATOM 1996 O HIS A 125 15.530 5.393 -3.869 1.00 0.76 O ATOM 1997 CB HIS A 125 17.188 7.698 -2.002 1.00 0.85 C ATOM 1998 CG HIS A 125 18.455 7.755 -1.197 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.501 8.197 0.109 1.00 1.80 N ATOM 2000 CD2 HIS A 125 19.726 7.415 -1.517 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.743 8.125 0.551 1.00 2.14 C ATOM 2002 NE2 HIS A 125 20.505 7.653 -0.415 1.00 2.12 N ATOM 0 H HIS A 125 18.329 8.598 -4.016 1.00 0.96 H new ATOM 0 HA HIS A 125 17.837 5.965 -3.081 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.873 8.714 -2.241 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.400 7.255 -1.393 1.00 0.85 H new ATOM 0 HD1 HIS A 125 17.701 8.528 0.649 1.00 1.80 H new ATOM 0 HD2 HIS A 125 20.064 7.027 -2.467 1.00 1.80 H new ATOM 0 HE1 HIS A 125 20.078 8.406 1.539 1.00 2.14 H new ATOM 2011 N ALA A 126 15.251 7.571 -4.373 1.00 0.77 N ATOM 2012 CA ALA A 126 13.922 7.367 -4.924 1.00 0.80 C ATOM 2013 C ALA A 126 13.995 6.519 -6.182 1.00 0.86 C ATOM 2014 O ALA A 126 13.137 5.676 -6.411 1.00 0.92 O ATOM 2015 CB ALA A 126 13.238 8.696 -5.207 1.00 0.92 C ATOM 0 H ALA A 126 15.586 8.534 -4.414 1.00 0.77 H new ATOM 0 HA ALA A 126 13.324 6.836 -4.184 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.245 8.514 -5.619 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.148 9.264 -4.281 1.00 0.92 H new ATOM 0 HB3 ALA A 126 13.830 9.264 -5.925 1.00 0.92 H new ATOM 2021 N LYS A 127 15.035 6.729 -6.985 1.00 0.92 N ATOM 2022 CA LYS A 127 15.212 5.966 -8.215 1.00 1.05 C ATOM 2023 C LYS A 127 15.355 4.469 -7.935 1.00 0.97 C ATOM 2024 O LYS A 127 14.668 3.652 -8.548 1.00 1.04 O ATOM 2025 CB LYS A 127 16.438 6.455 -8.990 1.00 1.26 C ATOM 2026 CG LYS A 127 16.703 5.659 -10.260 1.00 1.55 C ATOM 2027 CD LYS A 127 15.594 5.841 -11.283 1.00 1.93 C ATOM 2028 CE LYS A 127 15.681 7.198 -11.962 1.00 2.38 C ATOM 2029 NZ LYS A 127 16.904 7.313 -12.799 1.00 2.83 N ATOM 0 H LYS A 127 15.765 7.419 -6.806 1.00 0.92 H new ATOM 0 HA LYS A 127 14.317 6.123 -8.817 1.00 1.05 H new ATOM 0 HB2 LYS A 127 16.301 7.505 -9.249 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.314 6.398 -8.344 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.652 5.973 -10.694 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.799 4.602 -10.013 1.00 1.55 H new ATOM 0 HD2 LYS A 127 15.656 5.053 -12.033 1.00 1.93 H new ATOM 0 HD3 LYS A 127 14.625 5.739 -10.793 1.00 1.93 H new ATOM 0 HE2 LYS A 127 14.799 7.352 -12.583 1.00 2.38 H new ATOM 0 HE3 LYS A 127 15.681 7.984 -11.207 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 16.778 8.075 -13.495 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 17.721 7.530 -12.193 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 17.070 6.415 -13.296 1.00 2.83 H new ATOM 2043 N ARG A 128 16.238 4.115 -7.005 1.00 0.94 N ATOM 2044 CA ARG A 128 16.546 2.710 -6.750 1.00 1.00 C ATOM 2045 C ARG A 128 15.349 1.985 -6.130 1.00 0.97 C ATOM 2046 O ARG A 128 15.171 0.781 -6.322 1.00 1.09 O ATOM 2047 CB ARG A 128 17.799 2.582 -5.875 1.00 1.14 C ATOM 2048 CG ARG A 128 17.640 3.096 -4.454 1.00 1.11 C ATOM 2049 CD ARG A 128 18.977 3.138 -3.729 1.00 1.34 C ATOM 2050 NE ARG A 128 19.708 1.873 -3.839 1.00 1.59 N ATOM 2051 CZ ARG A 128 20.647 1.472 -2.981 1.00 1.95 C ATOM 2052 NH1 ARG A 128 20.961 2.219 -1.926 1.00 2.14 N ATOM 2053 NH2 ARG A 128 21.266 0.314 -3.179 1.00 2.59 N ATOM 0 H ARG A 128 16.749 4.775 -6.419 1.00 0.94 H new ATOM 0 HA ARG A 128 16.756 2.228 -7.705 1.00 1.00 H new ATOM 0 HB2 ARG A 128 18.092 1.533 -5.836 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.615 3.123 -6.353 1.00 1.14 H new ATOM 0 HG2 ARG A 128 17.202 4.094 -4.473 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.948 2.455 -3.908 1.00 1.11 H new ATOM 0 HD2 ARG A 128 19.585 3.944 -4.140 1.00 1.34 H new ATOM 0 HD3 ARG A 128 18.810 3.369 -2.677 1.00 1.34 H new ATOM 0 HE ARG A 128 19.484 1.259 -4.622 1.00 1.59 H new ATOM 0 HH11 ARG A 128 20.482 3.106 -1.768 1.00 2.14 H new ATOM 0 HH12 ARG A 128 21.680 1.905 -1.275 1.00 2.14 H new ATOM 0 HH21 ARG A 128 21.022 -0.263 -3.984 1.00 2.59 H new ATOM 0 HH22 ARG A 128 21.985 0.002 -2.526 1.00 2.59 H new ATOM 2067 N VAL A 129 14.530 2.719 -5.393 1.00 0.91 N ATOM 2068 CA VAL A 129 13.273 2.176 -4.887 1.00 1.04 C ATOM 2069 C VAL A 129 12.236 2.093 -6.006 1.00 1.04 C ATOM 2070 O VAL A 129 11.505 1.104 -6.135 1.00 1.19 O ATOM 2071 CB VAL A 129 12.718 3.055 -3.745 1.00 1.16 C ATOM 2072 CG1 VAL A 129 11.241 2.785 -3.512 1.00 1.43 C ATOM 2073 CG2 VAL A 129 13.509 2.828 -2.469 1.00 1.48 C ATOM 0 H VAL A 129 14.709 3.688 -5.131 1.00 0.91 H new ATOM 0 HA VAL A 129 13.473 1.175 -4.504 1.00 1.04 H new ATOM 0 HB VAL A 129 12.825 4.099 -4.041 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.879 3.418 -2.702 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.683 3.005 -4.422 1.00 1.43 H new ATOM 0 HG13 VAL A 129 11.100 1.738 -3.244 1.00 1.43 H new ATOM 0 HG21 VAL A 129 13.105 3.455 -1.674 1.00 1.48 H new ATOM 0 HG22 VAL A 129 13.436 1.780 -2.177 1.00 1.48 H new ATOM 0 HG23 VAL A 129 14.555 3.086 -2.638 1.00 1.48 H new ATOM 2083 N ARG A 130 12.210 3.134 -6.829 1.00 0.99 N ATOM 2084 CA ARG A 130 11.217 3.281 -7.885 1.00 1.14 C ATOM 2085 C ARG A 130 11.331 2.166 -8.920 1.00 1.05 C ATOM 2086 O ARG A 130 10.409 1.947 -9.698 1.00 1.24 O ATOM 2087 CB ARG A 130 11.372 4.643 -8.563 1.00 1.30 C ATOM 2088 CG ARG A 130 10.104 5.134 -9.231 1.00 1.75 C ATOM 2089 CD ARG A 130 10.327 6.441 -9.972 1.00 1.86 C ATOM 2090 NE ARG A 130 11.203 6.270 -11.126 1.00 2.36 N ATOM 2091 CZ ARG A 130 11.604 7.263 -11.914 1.00 2.92 C ATOM 2092 NH1 ARG A 130 11.220 8.514 -11.668 1.00 3.04 N ATOM 2093 NH2 ARG A 130 12.387 6.999 -12.950 1.00 3.83 N ATOM 0 H ARG A 130 12.879 3.902 -6.782 1.00 0.99 H new ATOM 0 HA ARG A 130 10.230 3.213 -7.428 1.00 1.14 H new ATOM 0 HB2 ARG A 130 11.689 5.375 -7.821 1.00 1.30 H new ATOM 0 HB3 ARG A 130 12.165 4.581 -9.308 1.00 1.30 H new ATOM 0 HG2 ARG A 130 9.744 4.378 -9.928 1.00 1.75 H new ATOM 0 HG3 ARG A 130 9.326 5.270 -8.479 1.00 1.75 H new ATOM 0 HD2 ARG A 130 9.367 6.840 -10.301 1.00 1.86 H new ATOM 0 HD3 ARG A 130 10.761 7.174 -9.292 1.00 1.86 H new ATOM 0 HE ARG A 130 11.529 5.328 -11.342 1.00 2.36 H new ATOM 0 HH11 ARG A 130 10.615 8.715 -10.872 1.00 3.04 H new ATOM 0 HH12 ARG A 130 11.531 9.272 -12.276 1.00 3.04 H new ATOM 0 HH21 ARG A 130 12.678 6.040 -13.138 1.00 3.83 H new ATOM 0 HH22 ARG A 130 12.699 7.755 -13.559 1.00 3.83 H new ATOM 2107 N ASN A 131 12.452 1.456 -8.900 1.00 0.85 N ATOM 2108 CA ASN A 131 12.709 0.371 -9.848 1.00 0.88 C ATOM 2109 C ASN A 131 11.537 -0.601 -9.913 1.00 1.08 C ATOM 2110 O ASN A 131 11.077 -0.953 -10.999 1.00 1.24 O ATOM 2111 CB ASN A 131 13.981 -0.391 -9.452 1.00 0.88 C ATOM 2112 CG ASN A 131 15.249 0.358 -9.804 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.297 1.104 -10.783 1.00 2.48 O ATOM 2114 ND2 ASN A 131 16.285 0.170 -9.001 1.00 2.04 N ATOM 0 H ASN A 131 13.207 1.612 -8.232 1.00 0.85 H new ATOM 0 HA ASN A 131 12.841 0.819 -10.833 1.00 0.88 H new ATOM 0 HB2 ASN A 131 13.964 -0.583 -8.379 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.988 -1.361 -9.950 1.00 0.88 H new ATOM 0 HD21 ASN A 131 17.165 0.652 -9.183 1.00 2.04 H new ATOM 0 HD22 ASN A 131 16.203 -0.457 -8.201 1.00 2.04 H new ATOM 2121 N GLY A 132 11.040 -1.009 -8.754 1.00 1.23 N ATOM 2122 CA GLY A 132 9.898 -1.903 -8.718 1.00 1.61 C ATOM 2123 C GLY A 132 8.637 -1.193 -8.271 1.00 1.21 C ATOM 2124 O GLY A 132 7.532 -1.723 -8.390 1.00 1.24 O ATOM 0 H GLY A 132 11.405 -0.739 -7.841 1.00 1.23 H new ATOM 0 HA2 GLY A 132 9.741 -2.332 -9.708 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.107 -2.732 -8.041 1.00 1.61 H new ATOM 2128 N MET A 133 8.806 0.009 -7.740 1.00 1.24 N ATOM 2129 CA MET A 133 7.687 0.783 -7.219 1.00 1.38 C ATOM 2130 C MET A 133 6.931 1.509 -8.336 1.00 1.35 C ATOM 2131 O MET A 133 5.705 1.634 -8.284 1.00 1.56 O ATOM 2132 CB MET A 133 8.188 1.792 -6.182 1.00 2.06 C ATOM 2133 CG MET A 133 7.083 2.625 -5.555 1.00 2.92 C ATOM 2134 SD MET A 133 7.712 3.846 -4.389 1.00 3.99 S ATOM 2135 CE MET A 133 6.187 4.601 -3.833 1.00 4.83 C ATOM 0 H MET A 133 9.711 0.472 -7.658 1.00 1.24 H new ATOM 0 HA MET A 133 6.993 0.089 -6.746 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.718 1.257 -5.394 1.00 2.06 H new ATOM 0 HB3 MET A 133 8.909 2.459 -6.656 1.00 2.06 H new ATOM 0 HG2 MET A 133 6.525 3.133 -6.342 1.00 2.92 H new ATOM 0 HG3 MET A 133 6.382 1.966 -5.042 1.00 2.92 H new ATOM 0 HE1 MET A 133 6.411 5.380 -3.104 1.00 4.83 H new ATOM 0 HE2 MET A 133 5.667 5.039 -4.684 1.00 4.83 H new ATOM 0 HE3 MET A 133 5.553 3.844 -3.371 1.00 4.83 H new ATOM 2145 N ASP A 134 7.665 1.963 -9.349 1.00 1.38 N ATOM 2146 CA ASP A 134 7.117 2.855 -10.376 1.00 1.84 C ATOM 2147 C ASP A 134 6.011 2.202 -11.198 1.00 1.95 C ATOM 2148 O ASP A 134 5.040 2.856 -11.569 1.00 2.41 O ATOM 2149 CB ASP A 134 8.231 3.347 -11.297 1.00 2.05 C ATOM 2150 CG ASP A 134 7.747 4.378 -12.300 1.00 2.29 C ATOM 2151 OD1 ASP A 134 7.258 5.445 -11.873 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.861 4.135 -13.520 1.00 2.28 O ATOM 0 H ASP A 134 8.648 1.727 -9.484 1.00 1.38 H new ATOM 0 HA ASP A 134 6.670 3.700 -9.853 1.00 1.84 H new ATOM 0 HB2 ASP A 134 9.031 3.779 -10.695 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.657 2.498 -11.831 1.00 2.05 H new ATOM 2157 N LYS A 135 6.148 0.920 -11.492 1.00 1.70 N ATOM 2158 CA LYS A 135 5.108 0.212 -12.229 1.00 2.03 C ATOM 2159 C LYS A 135 4.354 -0.721 -11.283 1.00 1.70 C ATOM 2160 O LYS A 135 3.715 -1.687 -11.695 1.00 2.17 O ATOM 2161 CB LYS A 135 5.705 -0.556 -13.420 1.00 2.40 C ATOM 2162 CG LYS A 135 4.658 -1.067 -14.404 1.00 3.08 C ATOM 2163 CD LYS A 135 3.730 0.050 -14.864 1.00 3.44 C ATOM 2164 CE LYS A 135 2.501 -0.504 -15.565 1.00 3.61 C ATOM 2165 NZ LYS A 135 1.500 0.558 -15.862 1.00 4.15 N ATOM 0 H LYS A 135 6.956 0.352 -11.237 1.00 1.70 H new ATOM 0 HA LYS A 135 4.403 0.937 -12.635 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.401 0.095 -13.949 1.00 2.40 H new ATOM 0 HB3 LYS A 135 6.281 -1.401 -13.044 1.00 2.40 H new ATOM 0 HG2 LYS A 135 5.155 -1.508 -15.268 1.00 3.08 H new ATOM 0 HG3 LYS A 135 4.072 -1.858 -13.935 1.00 3.08 H new ATOM 0 HD2 LYS A 135 3.423 0.647 -14.005 1.00 3.44 H new ATOM 0 HD3 LYS A 135 4.267 0.716 -15.539 1.00 3.44 H new ATOM 0 HE2 LYS A 135 2.801 -0.989 -16.494 1.00 3.61 H new ATOM 0 HE3 LYS A 135 2.042 -1.270 -14.940 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 0.678 0.137 -16.340 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 1.193 1.004 -14.974 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 1.929 1.276 -16.480 1.00 4.15 H new ATOM 2179 N GLY A 136 4.426 -0.406 -10.001 1.00 1.04 N ATOM 2180 CA GLY A 136 3.712 -1.178 -9.016 1.00 0.79 C ATOM 2181 C GLY A 136 2.617 -0.371 -8.356 1.00 0.65 C ATOM 2182 O GLY A 136 1.443 -0.564 -8.646 1.00 0.57 O ATOM 0 H GLY A 136 4.968 0.373 -9.627 1.00 1.04 H new ATOM 0 HA2 GLY A 136 3.279 -2.059 -9.489 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.409 -1.533 -8.257 1.00 0.79 H new ATOM 2186 N TRP A 137 3.021 0.580 -7.522 1.00 0.68 N ATOM 2187 CA TRP A 137 2.095 1.337 -6.674 1.00 0.67 C ATOM 2188 C TRP A 137 0.961 2.011 -7.471 1.00 0.57 C ATOM 2189 O TRP A 137 -0.210 1.803 -7.153 1.00 0.56 O ATOM 2190 CB TRP A 137 2.872 2.379 -5.856 1.00 0.81 C ATOM 2191 CG TRP A 137 2.011 3.181 -4.927 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.512 4.434 -5.144 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.550 2.784 -3.633 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.770 4.839 -4.062 1.00 1.62 N ATOM 2195 CE2 TRP A 137 0.778 3.843 -3.120 1.00 0.98 C ATOM 2196 CE3 TRP A 137 1.716 1.634 -2.856 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.173 3.784 -1.867 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 1.118 1.577 -1.613 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.354 2.645 -1.129 1.00 2.32 C ATOM 0 H TRP A 137 3.998 0.851 -7.411 1.00 0.68 H new ATOM 0 HA TRP A 137 1.617 0.623 -6.004 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.642 1.871 -5.276 1.00 0.81 H new ATOM 0 HB3 TRP A 137 3.383 3.057 -6.540 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.677 5.020 -6.036 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.291 5.735 -3.973 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.302 0.804 -3.222 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 -0.417 4.607 -1.491 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 1.242 0.694 -1.004 1.00 2.78 H new ATOM 0 HH2 TRP A 137 -0.102 2.569 -0.153 1.00 2.32 H new ATOM 2210 N PRO A 138 1.269 2.823 -8.509 1.00 0.58 N ATOM 2211 CA PRO A 138 0.229 3.494 -9.303 1.00 0.61 C ATOM 2212 C PRO A 138 -0.693 2.500 -10.003 1.00 0.58 C ATOM 2213 O PRO A 138 -1.911 2.684 -10.037 1.00 0.64 O ATOM 2214 CB PRO A 138 1.018 4.310 -10.332 1.00 0.68 C ATOM 2215 CG PRO A 138 2.359 3.669 -10.380 1.00 0.66 C ATOM 2216 CD PRO A 138 2.618 3.165 -8.992 1.00 0.63 C ATOM 0 HA PRO A 138 -0.425 4.103 -8.678 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.534 4.288 -11.309 1.00 0.68 H new ATOM 0 HB3 PRO A 138 1.090 5.356 -10.035 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.377 2.853 -11.103 1.00 0.66 H new ATOM 0 HG3 PRO A 138 3.123 4.383 -10.686 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.278 2.298 -8.994 1.00 0.63 H new ATOM 0 HD3 PRO A 138 3.090 3.924 -8.368 1.00 0.63 H new ATOM 2224 N THR A 139 -0.107 1.438 -10.543 1.00 0.57 N ATOM 2225 CA THR A 139 -0.871 0.400 -11.215 1.00 0.62 C ATOM 2226 C THR A 139 -1.809 -0.280 -10.224 1.00 0.54 C ATOM 2227 O THR A 139 -2.974 -0.561 -10.530 1.00 0.55 O ATOM 2228 CB THR A 139 0.069 -0.650 -11.834 1.00 0.72 C ATOM 2229 OG1 THR A 139 1.073 0.004 -12.621 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.699 -1.632 -12.704 1.00 0.87 C ATOM 0 H THR A 139 0.900 1.275 -10.527 1.00 0.57 H new ATOM 0 HA THR A 139 -1.455 0.864 -12.010 1.00 0.62 H new ATOM 0 HB THR A 139 0.538 -1.206 -11.022 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.946 -0.405 -12.444 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.008 -2.361 -13.127 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.445 -2.148 -12.099 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.196 -1.092 -13.510 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.292 -0.515 -9.024 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.068 -1.115 -7.955 1.00 0.47 C ATOM 2240 C ILE A 140 -3.294 -0.278 -7.650 1.00 0.42 C ATOM 2241 O ILE A 140 -4.378 -0.820 -7.503 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.232 -1.298 -6.670 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.119 -2.327 -6.909 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.116 -1.722 -5.497 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.703 -2.654 -5.680 1.00 0.72 C ATOM 0 H ILE A 140 -0.329 -0.295 -8.769 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.379 -2.101 -8.300 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.777 -0.341 -6.415 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.566 -3.246 -7.288 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.546 -1.951 -7.687 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.502 -1.844 -4.604 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.872 -0.958 -5.316 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.605 -2.667 -5.733 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.466 -3.388 -5.938 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.182 -1.747 -5.311 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.053 -3.062 -4.906 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.125 1.040 -7.588 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.241 1.929 -7.283 1.00 0.36 C ATOM 2259 C LEU A 141 -5.354 1.794 -8.320 1.00 0.38 C ATOM 2260 O LEU A 141 -6.522 1.745 -7.973 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.786 3.390 -7.182 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.859 3.715 -6.004 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.704 5.225 -5.852 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.386 3.096 -4.715 1.00 0.56 C ATOM 0 H LEU A 141 -2.234 1.512 -7.743 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.634 1.628 -6.312 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.276 3.658 -8.107 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.670 4.023 -7.111 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.878 3.285 -6.209 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -2.043 5.440 -5.012 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.277 5.641 -6.765 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.680 5.675 -5.670 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.713 3.339 -3.893 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.379 3.492 -4.501 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.444 2.013 -4.828 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.002 1.695 -9.586 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.025 1.606 -10.630 1.00 0.48 C ATOM 2278 C GLN A 142 -6.849 0.330 -10.485 1.00 0.47 C ATOM 2279 O GLN A 142 -8.077 0.353 -10.604 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.399 1.689 -12.025 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.401 3.092 -12.617 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.673 4.105 -11.753 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -3.470 4.314 -11.902 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.398 4.746 -10.846 1.00 0.77 N ATOM 0 H GLN A 142 -4.039 1.674 -9.921 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.695 2.457 -10.508 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.372 1.328 -11.974 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -5.939 1.021 -12.696 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -4.937 3.064 -13.603 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.431 3.418 -12.759 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -6.394 4.544 -10.753 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -4.960 5.441 -10.241 1.00 0.77 H new ATOM 2293 N SER A 143 -6.177 -0.773 -10.211 1.00 0.49 N ATOM 2294 CA SER A 143 -6.857 -2.036 -9.968 1.00 0.53 C ATOM 2295 C SER A 143 -7.483 -2.051 -8.568 1.00 0.45 C ATOM 2296 O SER A 143 -8.410 -2.815 -8.295 1.00 0.46 O ATOM 2297 CB SER A 143 -5.874 -3.183 -10.137 1.00 0.64 C ATOM 2298 OG SER A 143 -5.174 -3.066 -11.364 1.00 1.15 O ATOM 0 H SER A 143 -5.160 -0.822 -10.151 1.00 0.49 H new ATOM 0 HA SER A 143 -7.663 -2.154 -10.692 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.166 -3.187 -9.308 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.407 -4.133 -10.106 1.00 0.64 H new ATOM 0 HG SER A 143 -4.797 -3.936 -11.610 1.00 1.15 H new ATOM 2304 N PHE A 144 -6.948 -1.208 -7.693 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.465 -1.029 -6.342 1.00 0.36 C ATOM 2306 C PHE A 144 -8.896 -0.510 -6.414 1.00 0.32 C ATOM 2307 O PHE A 144 -9.819 -1.124 -5.878 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.554 -0.039 -5.598 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.876 0.207 -4.153 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.322 -0.581 -3.156 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.768 1.202 -3.796 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -6.649 -0.377 -1.831 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -8.095 1.413 -2.473 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.407 0.701 -1.474 1.00 0.78 C ATOM 0 H PHE A 144 -6.137 -0.625 -7.903 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.474 -1.976 -5.803 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.529 -0.403 -5.662 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.586 0.916 -6.123 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -5.626 -1.364 -3.419 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -8.213 1.820 -4.562 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -6.306 -1.070 -1.077 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.870 2.117 -2.207 1.00 0.68 H new ATOM 0 HZ PHE A 144 -7.477 1.003 -0.439 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.079 0.602 -7.124 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.410 1.144 -7.361 1.00 0.31 C ATOM 2326 C GLN A 145 -11.222 0.189 -8.217 1.00 0.35 C ATOM 2327 O GLN A 145 -12.441 0.138 -8.108 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.357 2.512 -8.048 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.902 3.635 -7.140 1.00 0.41 C ATOM 2330 CD GLN A 145 -8.401 3.748 -7.059 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -7.778 3.148 -6.190 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.806 4.500 -7.971 1.00 0.66 N ATOM 0 H GLN A 145 -8.322 1.142 -7.543 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.884 1.268 -6.387 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.683 2.453 -8.903 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.346 2.751 -8.438 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.314 4.577 -7.501 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -10.304 3.473 -6.140 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -8.363 4.982 -8.677 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -6.791 4.597 -7.968 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.532 -0.567 -9.067 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.189 -1.491 -9.987 1.00 0.43 C ATOM 2343 C ASP A 146 -12.006 -2.550 -9.245 1.00 0.40 C ATOM 2344 O ASP A 146 -13.198 -2.708 -9.510 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.160 -2.160 -10.899 1.00 0.55 C ATOM 2346 CG ASP A 146 -10.802 -2.968 -12.009 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -11.816 -2.506 -12.576 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -10.282 -4.051 -12.340 1.00 1.46 O ATOM 0 H ASP A 146 -9.514 -0.558 -9.138 1.00 0.36 H new ATOM 0 HA ASP A 146 -11.880 -0.908 -10.596 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -9.517 -1.396 -11.336 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -9.521 -2.812 -10.303 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.383 -3.272 -8.315 1.00 0.42 N ATOM 2354 CA LYS A 147 -12.108 -4.304 -7.576 1.00 0.51 C ATOM 2355 C LYS A 147 -13.039 -3.663 -6.554 1.00 0.48 C ATOM 2356 O LYS A 147 -14.134 -4.157 -6.313 1.00 0.58 O ATOM 2357 CB LYS A 147 -11.145 -5.286 -6.894 1.00 0.64 C ATOM 2358 CG LYS A 147 -11.666 -6.724 -6.845 1.00 0.92 C ATOM 2359 CD LYS A 147 -12.898 -6.874 -5.962 1.00 1.03 C ATOM 2360 CE LYS A 147 -13.517 -8.254 -6.110 1.00 1.25 C ATOM 2361 NZ LYS A 147 -14.660 -8.468 -5.183 1.00 1.74 N ATOM 0 H LYS A 147 -10.401 -3.166 -8.059 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.706 -4.873 -8.288 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -10.192 -5.272 -7.422 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.951 -4.944 -5.877 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -11.906 -7.053 -7.856 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -10.877 -7.379 -6.475 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.625 -6.705 -4.920 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -13.632 -6.113 -6.226 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -13.856 -8.388 -7.137 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -12.756 -9.012 -5.924 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -15.231 -9.271 -5.516 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -14.300 -8.671 -4.229 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -15.250 -7.612 -5.156 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.613 -2.549 -5.973 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.458 -1.815 -5.036 1.00 0.40 C ATOM 2377 C ILE A 148 -14.735 -1.346 -5.726 1.00 0.42 C ATOM 2378 O ILE A 148 -15.809 -1.311 -5.123 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.715 -0.605 -4.432 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.692 -1.084 -3.405 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.690 0.376 -3.799 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -10.995 0.038 -2.675 1.00 0.37 C ATOM 0 H ILE A 148 -11.694 -2.135 -6.131 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.716 -2.495 -4.224 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.194 -0.083 -5.235 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.192 -1.723 -2.678 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.945 -1.698 -3.908 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.139 1.219 -3.381 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.386 0.737 -4.556 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.245 -0.124 -3.005 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.283 -0.378 -1.962 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.465 0.665 -3.392 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.732 0.639 -2.143 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.611 -1.000 -6.997 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.753 -0.597 -7.801 1.00 0.49 C ATOM 2396 C ASP A 149 -16.781 -1.723 -7.845 1.00 0.55 C ATOM 2397 O ASP A 149 -17.982 -1.482 -7.813 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.284 -0.238 -9.214 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.319 0.523 -10.014 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -16.735 1.608 -9.570 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -16.737 0.025 -11.078 1.00 0.77 O ATOM 0 H ASP A 149 -13.722 -0.990 -7.498 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.222 0.280 -7.354 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.375 0.360 -9.146 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.024 -1.153 -9.746 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.288 -2.958 -7.854 1.00 0.57 N ATOM 2407 CA GLU A 150 -17.139 -4.145 -7.903 1.00 0.68 C ATOM 2408 C GLU A 150 -17.903 -4.334 -6.602 1.00 0.75 C ATOM 2409 O GLU A 150 -18.915 -5.032 -6.561 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.287 -5.380 -8.182 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.718 -5.398 -9.584 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.565 -6.361 -9.753 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -13.447 -5.891 -10.051 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.776 -7.583 -9.614 1.00 1.50 O ATOM 0 H GLU A 150 -15.290 -3.165 -7.828 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.864 -4.007 -8.705 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.469 -5.421 -7.463 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.891 -6.274 -8.029 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -16.509 -5.663 -10.285 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -15.384 -4.394 -9.845 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.417 -3.704 -5.545 1.00 0.72 N ATOM 2422 CA GLU A 151 -18.028 -3.830 -4.234 1.00 0.84 C ATOM 2423 C GLU A 151 -19.163 -2.820 -4.071 1.00 0.88 C ATOM 2424 O GLU A 151 -19.782 -2.734 -3.008 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.976 -3.614 -3.141 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.704 -4.425 -3.338 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.953 -5.917 -3.389 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -16.217 -6.446 -4.489 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -15.873 -6.571 -2.329 1.00 1.63 O ATOM 0 H GLU A 151 -16.597 -3.098 -5.571 1.00 0.72 H new ATOM 0 HA GLU A 151 -18.440 -4.835 -4.140 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.718 -2.556 -3.104 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -17.412 -3.870 -2.175 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.220 -4.112 -4.263 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -15.011 -4.206 -2.526 1.00 0.95 H new ATOM 2436 N GLY A 152 -19.434 -2.055 -5.126 1.00 0.84 N ATOM 2437 CA GLY A 152 -20.476 -1.052 -5.050 1.00 0.96 C ATOM 2438 C GLY A 152 -21.006 -0.612 -6.403 1.00 1.04 C ATOM 2439 O GLY A 152 -22.129 -0.949 -6.774 1.00 1.32 O ATOM 0 H GLY A 152 -18.954 -2.113 -6.024 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -21.302 -1.445 -4.457 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -20.090 -0.181 -4.521 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.191 0.122 -7.151 1.00 1.14 N ATOM 2444 CA ALA A 153 -20.663 0.820 -8.344 1.00 1.47 C ATOM 2445 C ALA A 153 -20.660 -0.050 -9.606 1.00 1.29 C ATOM 2446 O ALA A 153 -21.517 0.124 -10.477 1.00 1.70 O ATOM 2447 CB ALA A 153 -19.837 2.075 -8.566 1.00 1.92 C ATOM 0 H ALA A 153 -19.199 0.250 -6.953 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.705 1.083 -8.161 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -20.193 2.592 -9.457 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -19.934 2.732 -7.702 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -18.790 1.803 -8.699 1.00 1.92 H new ATOM 2453 N LYS A 154 -19.709 -0.972 -9.717 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.605 -1.814 -10.907 1.00 1.02 C ATOM 2455 C LYS A 154 -20.779 -2.789 -10.960 1.00 1.38 C ATOM 2456 O LYS A 154 -21.487 -2.963 -9.961 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.266 -2.576 -10.935 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.856 -3.039 -12.332 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.556 -3.836 -12.334 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.344 -2.989 -11.958 1.00 0.73 C ATOM 2461 NZ LYS A 154 -14.083 -3.777 -11.996 1.00 1.32 N ATOM 0 H LYS A 154 -19.003 -1.156 -9.004 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.638 -1.171 -11.786 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.484 -1.934 -10.530 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.338 -3.444 -10.280 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.653 -3.651 -12.755 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.744 -2.169 -12.980 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.644 -4.668 -11.635 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -16.400 -4.266 -13.323 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.265 -2.144 -12.642 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.485 -2.577 -10.959 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.705 -3.873 -11.032 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -14.275 -4.721 -12.388 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -13.386 -3.289 -12.594 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.958 -3.422 -12.124 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.097 -4.300 -12.412 1.00 2.44 C ATOM 2477 C LYS A 155 -23.412 -3.679 -11.931 1.00 3.14 C ATOM 2478 O LYS A 155 -23.996 -4.154 -10.941 1.00 3.71 O ATOM 2479 CB LYS A 155 -21.880 -5.735 -11.867 1.00 2.82 C ATOM 2480 CG LYS A 155 -21.587 -5.831 -10.377 1.00 2.95 C ATOM 2481 CD LYS A 155 -22.716 -6.518 -9.624 1.00 3.46 C ATOM 2482 CE LYS A 155 -22.863 -5.953 -8.222 1.00 3.45 C ATOM 2483 NZ LYS A 155 -23.238 -4.513 -8.252 1.00 4.22 N ATOM 2484 OXT LYS A 155 -23.849 -2.691 -12.558 1.00 3.60 O ATOM 0 H LYS A 155 -20.306 -3.338 -12.904 1.00 1.82 H new ATOM 0 HA LYS A 155 -22.170 -4.399 -13.495 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -22.770 -6.326 -12.084 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -21.054 -6.191 -12.412 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -20.659 -6.382 -10.223 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -21.435 -4.831 -9.971 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -23.651 -6.392 -10.170 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -22.521 -7.589 -9.569 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -23.622 -6.517 -7.679 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -21.926 -6.075 -7.679 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -23.846 -4.296 -7.437 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -22.378 -3.929 -8.208 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -23.752 -4.306 -9.132 1.00 4.22 H new TER 2498 LYS A 155