USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1236 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 ASN : amide:sc= -0.0443 K(o=0.2,f=-3.9!) USER MOD Set 1.2: A 136 HIS : no HE2:sc= 0.247 K(o=0.2,f=-3.2!) USER MOD Set 2.1: A 96 HIS : no HE2:sc= 0.676 K(o=1.1,f=-5.3!) USER MOD Set 2.2: A 98 CYS SG : rot 180:sc= 0.467 USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 45 LYS NZ :NH3+ -168:sc= -0.0179 (180deg=-0.205) USER MOD Set 4.2: A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 53:sc= 0.349 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -19:sc= -1.35! USER MOD Single : A 18 THR OG1 : rot 160:sc= -1.33 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.498 K(o=-0.5,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.1!) USER MOD Single : A 23 SER OG : rot -150:sc= -0.493 USER MOD Single : A 25 THR OG1 : rot -171:sc= 1.26 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 33 TYR OH : rot -46:sc= 0.261 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0501 (180deg=-0.341) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= -1.34! (180deg=-3.6!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.488 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= 0.025 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 154:sc= -1.47 (180deg=-2.92) USER MOD Single : A 75 THR OG1 : rot -174:sc= -1.15 USER MOD Single : A 77 SER OG : rot -75:sc= 0.199 USER MOD Single : A 79 THR OG1 : rot -50:sc= -2.03! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD Single : A 87 ASN : amide:sc= -0.647 K(o=-0.65,f=-2!) USER MOD Single : A 88 ASN : amide:sc= -0.094 K(o=-0.094,f=-1) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= -0.0224 (180deg=-0.233) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 67:sc= 0.0945 USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -0.0603 (180deg=-0.434) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.078 (180deg=-0.371) USER MOD Single : A 105 GLN : amide:sc= -0.659 X(o=-0.66,f=-0.63) USER MOD Single : A 111 HIS : no HD1:sc= -0.392 K(o=-0.39,f=-1.4) USER MOD Single : A 112 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.9!) USER MOD Single : A 113 MET CE :methyl -162:sc= -0.0787 (180deg=-0.489) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 117 CYS SG : rot 160:sc= -0.935 USER MOD Single : A 119 SER OG : rot -149:sc= 0.549 USER MOD Single : A 122 CYS SG : rot -160:sc= -1.23 USER MOD Single : A 123 LYS NZ :NH3+ -167:sc= -0.0337 (180deg=-0.245) USER MOD Single : A 124 THR OG1 : rot 73:sc= 0.314 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 SER OG : rot -55:sc= 0.612 USER MOD Single : A 145 SER OG : rot -59:sc= 1.1 USER MOD Single : A 147 ASN : amide:sc= -1.82 K(o=-1.8,f=-4.3!) USER MOD Single : A 149 CYS SG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 92:sc= 0.726 USER MOD Single : A 152 ASN :FLIP amide:sc= 1.08 F(o=-2.1!,f=1.1) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 14.052 12.737 5.327 1.00 7.74 N ATOM 2 CA GLY A 0 13.427 11.930 4.244 1.00 7.29 C ATOM 3 C GLY A 0 14.231 11.959 2.960 1.00 6.59 C ATOM 4 O GLY A 0 15.300 11.355 2.878 1.00 6.87 O ATOM 0 H1 GLY A 0 13.464 12.684 6.183 1.00 7.74 H new ATOM 0 H2 GLY A 0 15.000 12.364 5.535 1.00 7.74 H new ATOM 0 H3 GLY A 0 14.130 13.728 5.021 1.00 7.74 H new ATOM 0 HA2 GLY A 0 13.321 10.898 4.579 1.00 7.29 H new ATOM 0 HA3 GLY A 0 12.423 12.306 4.049 1.00 7.29 H new ATOM 10 N SER A 1 13.715 12.664 1.957 1.00 5.98 N ATOM 11 CA SER A 1 14.389 12.775 0.667 1.00 5.55 C ATOM 12 C SER A 1 14.640 11.397 0.059 1.00 4.98 C ATOM 13 O SER A 1 15.716 11.131 -0.478 1.00 4.98 O ATOM 14 CB SER A 1 15.713 13.528 0.820 1.00 5.73 C ATOM 15 OG SER A 1 15.499 14.838 1.316 1.00 6.24 O ATOM 0 H SER A 1 12.830 13.168 2.013 1.00 5.98 H new ATOM 0 HA SER A 1 13.738 13.334 -0.005 1.00 5.55 H new ATOM 0 HB2 SER A 1 16.370 12.982 1.497 1.00 5.73 H new ATOM 0 HB3 SER A 1 16.220 13.579 -0.144 1.00 5.73 H new ATOM 0 HG SER A 1 16.360 15.298 1.407 1.00 6.24 H new ATOM 21 N SER A 2 13.637 10.526 0.150 1.00 4.86 N ATOM 22 CA SER A 2 13.739 9.172 -0.389 1.00 4.65 C ATOM 23 C SER A 2 14.907 8.418 0.240 1.00 3.55 C ATOM 24 O SER A 2 15.490 8.868 1.226 1.00 3.84 O ATOM 25 CB SER A 2 13.902 9.215 -1.909 1.00 5.55 C ATOM 26 OG SER A 2 12.791 9.846 -2.523 1.00 5.99 O ATOM 0 H SER A 2 12.742 10.735 0.593 1.00 4.86 H new ATOM 0 HA SER A 2 12.818 8.643 -0.145 1.00 4.65 H new ATOM 0 HB2 SER A 2 14.816 9.751 -2.165 1.00 5.55 H new ATOM 0 HB3 SER A 2 14.008 8.201 -2.295 1.00 5.55 H new ATOM 0 HG SER A 2 12.920 9.863 -3.494 1.00 5.99 H new ATOM 32 N ILE A 3 15.242 7.268 -0.335 1.00 2.69 N ATOM 33 CA ILE A 3 16.338 6.452 0.171 1.00 1.87 C ATOM 34 C ILE A 3 17.693 7.049 -0.212 1.00 1.35 C ATOM 35 O ILE A 3 18.343 7.702 0.604 1.00 1.91 O ATOM 36 CB ILE A 3 16.242 5.002 -0.341 1.00 2.23 C ATOM 37 CG1 ILE A 3 14.944 4.364 0.154 1.00 2.35 C ATOM 38 CG2 ILE A 3 17.452 4.194 0.114 1.00 2.72 C ATOM 39 CD1 ILE A 3 14.745 2.944 -0.319 1.00 2.23 C ATOM 0 H ILE A 3 14.770 6.880 -1.152 1.00 2.69 H new ATOM 0 HA ILE A 3 16.254 6.441 1.258 1.00 1.87 H new ATOM 0 HB ILE A 3 16.234 5.009 -1.431 1.00 2.23 H new ATOM 0 HG12 ILE A 3 14.935 4.379 1.244 1.00 2.35 H new ATOM 0 HG13 ILE A 3 14.102 4.970 -0.180 1.00 2.35 H new ATOM 0 HG21 ILE A 3 17.368 3.172 -0.257 1.00 2.72 H new ATOM 0 HG22 ILE A 3 18.362 4.648 -0.279 1.00 2.72 H new ATOM 0 HG23 ILE A 3 17.493 4.183 1.203 1.00 2.72 H new ATOM 0 HD11 ILE A 3 13.803 2.559 0.072 1.00 2.23 H new ATOM 0 HD12 ILE A 3 14.721 2.923 -1.409 1.00 2.23 H new ATOM 0 HD13 ILE A 3 15.567 2.323 0.037 1.00 2.23 H new ATOM 51 N THR A 4 18.108 6.829 -1.459 1.00 1.51 N ATOM 52 CA THR A 4 19.381 7.347 -1.949 1.00 1.85 C ATOM 53 C THR A 4 19.312 7.632 -3.445 1.00 1.58 C ATOM 54 O THR A 4 19.770 6.831 -4.261 1.00 1.84 O ATOM 55 CB THR A 4 20.535 6.359 -1.682 1.00 3.01 C ATOM 56 OG1 THR A 4 20.188 5.058 -2.168 1.00 3.60 O ATOM 57 CG2 THR A 4 20.861 6.282 -0.197 1.00 3.68 C ATOM 0 H THR A 4 17.579 6.294 -2.148 1.00 1.51 H new ATOM 0 HA THR A 4 19.575 8.273 -1.408 1.00 1.85 H new ATOM 0 HB THR A 4 21.418 6.722 -2.208 1.00 3.01 H new ATOM 0 HG1 THR A 4 19.910 5.122 -3.105 1.00 3.60 H new ATOM 0 HG21 THR A 4 21.678 5.578 -0.040 1.00 3.68 H new ATOM 0 HG22 THR A 4 21.157 7.268 0.162 1.00 3.68 H new ATOM 0 HG23 THR A 4 19.981 5.945 0.352 1.00 3.68 H new ATOM 65 N GLY A 5 18.738 8.779 -3.798 1.00 1.36 N ATOM 66 CA GLY A 5 18.617 9.152 -5.197 1.00 1.29 C ATOM 67 C GLY A 5 17.891 8.105 -6.022 1.00 1.13 C ATOM 68 O GLY A 5 18.351 7.729 -7.100 1.00 1.34 O ATOM 0 H GLY A 5 18.354 9.457 -3.140 1.00 1.36 H new ATOM 0 HA2 GLY A 5 18.085 10.100 -5.271 1.00 1.29 H new ATOM 0 HA3 GLY A 5 19.612 9.311 -5.614 1.00 1.29 H new ATOM 72 N ILE A 6 16.755 7.631 -5.514 1.00 0.84 N ATOM 73 CA ILE A 6 15.967 6.623 -6.216 1.00 0.72 C ATOM 74 C ILE A 6 15.035 7.267 -7.238 1.00 0.71 C ATOM 75 O ILE A 6 14.588 8.400 -7.057 1.00 0.85 O ATOM 76 CB ILE A 6 15.130 5.778 -5.233 1.00 0.64 C ATOM 77 CG1 ILE A 6 14.133 6.666 -4.482 1.00 0.78 C ATOM 78 CG2 ILE A 6 16.041 5.044 -4.260 1.00 0.90 C ATOM 79 CD1 ILE A 6 13.205 5.902 -3.561 1.00 0.88 C ATOM 0 H ILE A 6 16.361 7.928 -4.621 1.00 0.84 H new ATOM 0 HA ILE A 6 16.673 5.972 -6.732 1.00 0.72 H new ATOM 0 HB ILE A 6 14.566 5.037 -5.799 1.00 0.64 H new ATOM 0 HG12 ILE A 6 14.685 7.402 -3.897 1.00 0.78 H new ATOM 0 HG13 ILE A 6 13.536 7.219 -5.207 1.00 0.78 H new ATOM 0 HG21 ILE A 6 15.437 4.452 -3.572 1.00 0.90 H new ATOM 0 HG22 ILE A 6 16.710 4.386 -4.814 1.00 0.90 H new ATOM 0 HG23 ILE A 6 16.629 5.768 -3.696 1.00 0.90 H new ATOM 0 HD11 ILE A 6 12.529 6.599 -3.065 1.00 0.88 H new ATOM 0 HD12 ILE A 6 12.625 5.185 -4.142 1.00 0.88 H new ATOM 0 HD13 ILE A 6 13.792 5.371 -2.812 1.00 0.88 H new ATOM 91 N SER A 7 14.746 6.538 -8.313 1.00 0.67 N ATOM 92 CA SER A 7 13.865 7.037 -9.365 1.00 0.69 C ATOM 93 C SER A 7 12.673 6.099 -9.560 1.00 0.58 C ATOM 94 O SER A 7 12.792 4.890 -9.371 1.00 0.54 O ATOM 95 CB SER A 7 14.634 7.181 -10.680 1.00 0.81 C ATOM 96 OG SER A 7 15.154 5.934 -11.107 1.00 1.60 O ATOM 0 H SER A 7 15.109 5.599 -8.478 1.00 0.67 H new ATOM 0 HA SER A 7 13.494 8.016 -9.062 1.00 0.69 H new ATOM 0 HB2 SER A 7 13.975 7.585 -11.448 1.00 0.81 H new ATOM 0 HB3 SER A 7 15.449 7.894 -10.552 1.00 0.81 H new ATOM 0 HG SER A 7 15.639 6.053 -11.950 1.00 1.60 H new ATOM 102 N PRO A 8 11.504 6.648 -9.946 1.00 0.57 N ATOM 103 CA PRO A 8 10.294 5.847 -10.164 1.00 0.48 C ATOM 104 C PRO A 8 10.440 4.882 -11.336 1.00 0.47 C ATOM 105 O PRO A 8 11.003 5.231 -12.374 1.00 0.58 O ATOM 106 CB PRO A 8 9.215 6.893 -10.467 1.00 0.49 C ATOM 107 CG PRO A 8 9.964 8.088 -10.947 1.00 0.69 C ATOM 108 CD PRO A 8 11.269 8.082 -10.203 1.00 0.67 C ATOM 0 HA PRO A 8 10.066 5.219 -9.302 1.00 0.48 H new ATOM 0 HB2 PRO A 8 8.518 6.534 -11.224 1.00 0.49 H new ATOM 0 HB3 PRO A 8 8.629 7.125 -9.578 1.00 0.49 H new ATOM 0 HG2 PRO A 8 10.128 8.040 -12.024 1.00 0.69 H new ATOM 0 HG3 PRO A 8 9.406 9.004 -10.750 1.00 0.69 H new ATOM 0 HD2 PRO A 8 12.072 8.522 -10.795 1.00 0.67 H new ATOM 0 HD3 PRO A 8 11.207 8.652 -9.276 1.00 0.67 H new ATOM 116 N ILE A 9 9.928 3.668 -11.161 1.00 0.41 N ATOM 117 CA ILE A 9 10.002 2.647 -12.200 1.00 0.46 C ATOM 118 C ILE A 9 8.776 2.692 -13.106 1.00 0.45 C ATOM 119 O ILE A 9 8.895 2.622 -14.329 1.00 0.53 O ATOM 120 CB ILE A 9 10.126 1.240 -11.594 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.304 1.190 -10.618 1.00 0.51 C ATOM 122 CG2 ILE A 9 10.295 0.202 -12.698 1.00 0.65 C ATOM 123 CD1 ILE A 9 11.483 -0.155 -9.952 1.00 1.53 C ATOM 0 H ILE A 9 9.457 3.367 -10.308 1.00 0.41 H new ATOM 0 HA ILE A 9 10.893 2.861 -12.790 1.00 0.46 H new ATOM 0 HB ILE A 9 9.213 1.009 -11.045 1.00 0.48 H new ATOM 0 HG12 ILE A 9 12.219 1.446 -11.153 1.00 0.51 H new ATOM 0 HG13 ILE A 9 11.161 1.950 -9.850 1.00 0.51 H new ATOM 0 HG21 ILE A 9 10.382 -0.790 -12.255 1.00 0.65 H new ATOM 0 HG22 ILE A 9 9.429 0.230 -13.359 1.00 0.65 H new ATOM 0 HG23 ILE A 9 11.196 0.423 -13.271 1.00 0.65 H new ATOM 0 HD11 ILE A 9 12.336 -0.115 -9.275 1.00 1.53 H new ATOM 0 HD12 ILE A 9 10.584 -0.405 -9.389 1.00 1.53 H new ATOM 0 HD13 ILE A 9 11.658 -0.917 -10.712 1.00 1.53 H new ATOM 135 N THR A 10 7.599 2.805 -12.497 1.00 0.41 N ATOM 136 CA THR A 10 6.352 2.856 -13.252 1.00 0.42 C ATOM 137 C THR A 10 5.205 3.389 -12.397 1.00 0.31 C ATOM 138 O THR A 10 5.106 3.083 -11.210 1.00 0.28 O ATOM 139 CB THR A 10 5.969 1.466 -13.797 1.00 0.52 C ATOM 140 OG1 THR A 10 4.704 1.533 -14.464 1.00 0.54 O ATOM 141 CG2 THR A 10 5.902 0.444 -12.672 1.00 0.53 C ATOM 0 H THR A 10 7.483 2.863 -11.485 1.00 0.41 H new ATOM 0 HA THR A 10 6.519 3.535 -14.088 1.00 0.42 H new ATOM 0 HB THR A 10 6.736 1.153 -14.505 1.00 0.52 H new ATOM 0 HG1 THR A 10 4.469 0.646 -14.809 1.00 0.54 H new ATOM 0 HG21 THR A 10 5.630 -0.529 -13.080 1.00 0.53 H new ATOM 0 HG22 THR A 10 6.875 0.374 -12.185 1.00 0.53 H new ATOM 0 HG23 THR A 10 5.153 0.754 -11.943 1.00 0.53 H new ATOM 149 N GLU A 11 4.339 4.189 -13.014 1.00 0.34 N ATOM 150 CA GLU A 11 3.193 4.764 -12.318 1.00 0.27 C ATOM 151 C GLU A 11 1.917 4.540 -13.123 1.00 0.23 C ATOM 152 O GLU A 11 1.841 4.914 -14.293 1.00 0.32 O ATOM 153 CB GLU A 11 3.408 6.262 -12.089 1.00 0.35 C ATOM 154 CG GLU A 11 4.736 6.592 -11.427 1.00 1.07 C ATOM 155 CD GLU A 11 4.905 8.075 -11.162 1.00 1.05 C ATOM 156 OE1 GLU A 11 5.336 8.798 -12.084 1.00 1.46 O ATOM 157 OE2 GLU A 11 4.609 8.514 -10.030 1.00 0.76 O ATOM 0 H GLU A 11 4.410 4.454 -13.996 1.00 0.34 H new ATOM 0 HA GLU A 11 3.092 4.270 -11.352 1.00 0.27 H new ATOM 0 HB2 GLU A 11 3.350 6.779 -13.047 1.00 0.35 H new ATOM 0 HB3 GLU A 11 2.597 6.646 -11.470 1.00 0.35 H new ATOM 0 HG2 GLU A 11 4.813 6.048 -10.486 1.00 1.07 H new ATOM 0 HG3 GLU A 11 5.550 6.246 -12.063 1.00 1.07 H new ATOM 164 N TYR A 12 0.917 3.927 -12.496 1.00 0.33 N ATOM 165 CA TYR A 12 -0.347 3.656 -13.177 1.00 0.46 C ATOM 166 C TYR A 12 -1.516 3.622 -12.197 1.00 0.33 C ATOM 167 O TYR A 12 -1.327 3.481 -10.988 1.00 0.28 O ATOM 168 CB TYR A 12 -0.267 2.330 -13.937 1.00 0.67 C ATOM 169 CG TYR A 12 -0.035 1.126 -13.049 1.00 0.46 C ATOM 170 CD1 TYR A 12 1.246 0.770 -12.648 1.00 0.71 C ATOM 171 CD2 TYR A 12 -1.100 0.346 -12.614 1.00 0.62 C ATOM 172 CE1 TYR A 12 1.461 -0.329 -11.840 1.00 1.26 C ATOM 173 CE2 TYR A 12 -0.893 -0.754 -11.804 1.00 1.16 C ATOM 174 CZ TYR A 12 0.388 -1.089 -11.420 1.00 1.50 C ATOM 175 OH TYR A 12 0.597 -2.185 -10.615 1.00 2.11 O ATOM 0 H TYR A 12 0.955 3.611 -11.527 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.522 4.468 -13.883 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -1.193 2.185 -14.494 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.539 2.390 -14.669 1.00 0.67 H new ATOM 0 HD1 TYR A 12 2.088 1.363 -12.974 1.00 0.71 H new ATOM 0 HD2 TYR A 12 -2.105 0.604 -12.914 1.00 0.62 H new ATOM 0 HE1 TYR A 12 2.464 -0.593 -11.538 1.00 1.26 H new ATOM 0 HE2 TYR A 12 -1.731 -1.349 -11.473 1.00 1.16 H new ATOM 0 HH TYR A 12 -0.263 -2.608 -10.409 1.00 2.11 H new ATOM 185 N LEU A 13 -2.726 3.749 -12.735 1.00 0.42 N ATOM 186 CA LEU A 13 -3.935 3.727 -11.931 1.00 0.35 C ATOM 187 C LEU A 13 -4.348 2.292 -11.626 1.00 0.29 C ATOM 188 O LEU A 13 -4.374 1.442 -12.517 1.00 0.35 O ATOM 189 CB LEU A 13 -5.069 4.444 -12.669 1.00 0.45 C ATOM 190 CG LEU A 13 -4.863 5.943 -12.920 1.00 0.59 C ATOM 191 CD1 LEU A 13 -4.761 6.700 -11.605 1.00 1.17 C ATOM 192 CD2 LEU A 13 -3.634 6.198 -13.781 1.00 0.93 C ATOM 0 H LEU A 13 -2.891 3.869 -13.734 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.734 4.242 -10.992 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -5.219 3.952 -13.630 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -5.988 4.314 -12.097 1.00 0.45 H new ATOM 0 HG LEU A 13 -5.733 6.310 -13.464 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -4.615 7.761 -11.806 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -5.679 6.562 -11.034 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -3.916 6.320 -11.031 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -3.517 7.270 -13.940 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -2.750 5.807 -13.278 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -3.754 5.700 -14.743 1.00 0.93 H new ATOM 204 N ALA A 14 -4.670 2.031 -10.365 1.00 0.22 N ATOM 205 CA ALA A 14 -5.081 0.697 -9.944 1.00 0.20 C ATOM 206 C ALA A 14 -5.907 0.758 -8.665 1.00 0.20 C ATOM 207 O ALA A 14 -5.561 1.473 -7.725 1.00 0.32 O ATOM 208 CB ALA A 14 -3.863 -0.192 -9.744 1.00 0.30 C ATOM 0 H ALA A 14 -4.655 2.724 -9.617 1.00 0.22 H new ATOM 0 HA ALA A 14 -5.704 0.270 -10.730 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.185 -1.185 -9.430 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.311 -0.269 -10.681 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.219 0.240 -8.978 1.00 0.30 H new ATOM 214 N SER A 15 -6.998 0.002 -8.636 1.00 0.27 N ATOM 215 CA SER A 15 -7.873 -0.029 -7.472 1.00 0.32 C ATOM 216 C SER A 15 -7.525 -1.201 -6.560 1.00 0.30 C ATOM 217 O SER A 15 -7.296 -2.317 -7.029 1.00 0.29 O ATOM 218 CB SER A 15 -9.337 -0.127 -7.910 1.00 0.40 C ATOM 219 OG SER A 15 -9.563 -1.300 -8.671 1.00 1.30 O ATOM 0 H SER A 15 -7.297 -0.597 -9.405 1.00 0.27 H new ATOM 0 HA SER A 15 -7.728 0.897 -6.916 1.00 0.32 H new ATOM 0 HB2 SER A 15 -9.983 -0.129 -7.032 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.603 0.750 -8.500 1.00 0.40 H new ATOM 0 HG SER A 15 -10.505 -1.341 -8.937 1.00 1.30 H new ATOM 225 N LEU A 16 -7.488 -0.939 -5.258 1.00 0.31 N ATOM 226 CA LEU A 16 -7.174 -1.974 -4.279 1.00 0.30 C ATOM 227 C LEU A 16 -8.380 -2.876 -4.046 1.00 0.29 C ATOM 228 O LEU A 16 -9.427 -2.415 -3.596 1.00 0.37 O ATOM 229 CB LEU A 16 -6.741 -1.343 -2.949 1.00 0.34 C ATOM 230 CG LEU A 16 -5.310 -0.796 -2.898 1.00 0.35 C ATOM 231 CD1 LEU A 16 -4.302 -1.896 -3.190 1.00 1.11 C ATOM 232 CD2 LEU A 16 -5.139 0.364 -3.868 1.00 0.98 C ATOM 0 H LEU A 16 -7.671 -0.020 -4.856 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.353 -2.573 -4.674 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -7.428 -0.530 -2.715 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.851 -2.090 -2.163 1.00 0.34 H new ATOM 0 HG LEU A 16 -5.125 -0.424 -1.890 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -3.293 -1.485 -3.149 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -4.402 -2.688 -2.448 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -4.487 -2.305 -4.183 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -4.116 0.736 -3.814 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -5.349 0.024 -4.882 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -5.830 1.164 -3.603 1.00 0.98 H new ATOM 244 N SER A 17 -8.234 -4.158 -4.363 1.00 0.21 N ATOM 245 CA SER A 17 -9.323 -5.112 -4.176 1.00 0.21 C ATOM 246 C SER A 17 -8.875 -6.296 -3.324 1.00 0.19 C ATOM 247 O SER A 17 -7.858 -6.927 -3.606 1.00 0.22 O ATOM 248 CB SER A 17 -9.837 -5.605 -5.531 1.00 0.25 C ATOM 249 OG SER A 17 -8.767 -5.981 -6.378 1.00 0.98 O ATOM 0 H SER A 17 -7.379 -4.559 -4.748 1.00 0.21 H new ATOM 0 HA SER A 17 -10.132 -4.601 -3.653 1.00 0.21 H new ATOM 0 HB2 SER A 17 -10.503 -6.455 -5.383 1.00 0.25 H new ATOM 0 HB3 SER A 17 -10.423 -4.820 -6.008 1.00 0.25 H new ATOM 0 HG SER A 17 -7.935 -5.577 -6.054 1.00 0.98 H new ATOM 255 N THR A 18 -9.648 -6.592 -2.279 1.00 0.18 N ATOM 256 CA THR A 18 -9.334 -7.699 -1.385 1.00 0.19 C ATOM 257 C THR A 18 -9.417 -9.037 -2.113 1.00 0.21 C ATOM 258 O THR A 18 -9.649 -9.082 -3.320 1.00 0.31 O ATOM 259 CB THR A 18 -10.287 -7.725 -0.174 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.605 -8.090 -0.598 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.329 -6.366 0.510 1.00 0.18 C ATOM 0 H THR A 18 -10.495 -6.079 -2.034 1.00 0.18 H new ATOM 0 HA THR A 18 -8.313 -7.545 -1.035 1.00 0.19 H new ATOM 0 HB THR A 18 -9.916 -8.462 0.538 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.118 -8.415 0.171 1.00 0.23 H new ATOM 0 HG21 THR A 18 -11.008 -6.408 1.362 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.330 -6.101 0.855 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.680 -5.614 -0.197 1.00 0.18 H new ATOM 269 N TYR A 19 -9.229 -10.125 -1.372 1.00 0.21 N ATOM 270 CA TYR A 19 -9.277 -11.462 -1.952 1.00 0.23 C ATOM 271 C TYR A 19 -10.719 -11.934 -2.127 1.00 0.24 C ATOM 272 O TYR A 19 -10.989 -12.871 -2.878 1.00 0.29 O ATOM 273 CB TYR A 19 -8.504 -12.447 -1.070 1.00 0.28 C ATOM 274 CG TYR A 19 -8.359 -13.824 -1.678 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.547 -14.032 -2.786 1.00 0.39 C ATOM 276 CD2 TYR A 19 -9.034 -14.915 -1.144 1.00 0.36 C ATOM 277 CE1 TYR A 19 -7.411 -15.289 -3.346 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.903 -16.175 -1.698 1.00 0.42 C ATOM 279 CZ TYR A 19 -8.091 -16.355 -2.798 1.00 0.45 C ATOM 280 OH TYR A 19 -7.959 -17.608 -3.353 1.00 0.52 O ATOM 0 H TYR A 19 -9.042 -10.107 -0.369 1.00 0.21 H new ATOM 0 HA TYR A 19 -8.811 -11.422 -2.937 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.512 -12.041 -0.871 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -9.011 -12.535 -0.109 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -7.013 -13.198 -3.217 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.671 -14.777 -0.283 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -6.776 -15.434 -4.207 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -9.434 -17.014 -1.272 1.00 0.42 H new ATOM 0 HH TYR A 19 -8.503 -18.248 -2.848 1.00 0.52 H new ATOM 290 N ASN A 20 -11.642 -11.277 -1.431 1.00 0.22 N ATOM 291 CA ASN A 20 -13.056 -11.633 -1.510 1.00 0.27 C ATOM 292 C ASN A 20 -13.746 -10.868 -2.640 1.00 0.26 C ATOM 293 O ASN A 20 -14.945 -10.594 -2.577 1.00 0.30 O ATOM 294 CB ASN A 20 -13.747 -11.343 -0.174 1.00 0.32 C ATOM 295 CG ASN A 20 -15.106 -12.008 -0.064 1.00 1.21 C ATOM 296 OD1 ASN A 20 -16.130 -11.420 -0.410 1.00 2.23 O ATOM 297 ND2 ASN A 20 -15.121 -13.245 0.422 1.00 1.58 N ATOM 0 H ASN A 20 -11.437 -10.497 -0.807 1.00 0.22 H new ATOM 0 HA ASN A 20 -13.131 -12.699 -1.724 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -13.111 -11.687 0.642 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -13.863 -10.266 -0.055 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -16.005 -13.744 0.520 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -14.248 -13.696 0.697 1.00 1.58 H new ATOM 304 N ASP A 21 -12.977 -10.529 -3.672 1.00 0.26 N ATOM 305 CA ASP A 21 -13.502 -9.798 -4.822 1.00 0.30 C ATOM 306 C ASP A 21 -14.087 -8.451 -4.402 1.00 0.31 C ATOM 307 O ASP A 21 -14.833 -7.827 -5.157 1.00 0.54 O ATOM 308 CB ASP A 21 -14.566 -10.626 -5.546 1.00 0.36 C ATOM 309 CG ASP A 21 -14.028 -11.953 -6.042 1.00 1.14 C ATOM 310 OD1 ASP A 21 -13.998 -12.916 -5.245 1.00 2.07 O ATOM 311 OD2 ASP A 21 -13.637 -12.031 -7.225 1.00 1.01 O ATOM 0 H ASP A 21 -11.983 -10.750 -3.735 1.00 0.26 H new ATOM 0 HA ASP A 21 -12.671 -9.613 -5.503 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -15.403 -10.806 -4.872 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -14.954 -10.056 -6.390 1.00 0.36 H new ATOM 316 N GLN A 22 -13.743 -8.010 -3.198 1.00 0.22 N ATOM 317 CA GLN A 22 -14.229 -6.735 -2.682 1.00 0.21 C ATOM 318 C GLN A 22 -13.247 -5.616 -3.012 1.00 0.20 C ATOM 319 O GLN A 22 -12.075 -5.871 -3.279 1.00 0.29 O ATOM 320 CB GLN A 22 -14.442 -6.817 -1.169 1.00 0.22 C ATOM 321 CG GLN A 22 -15.403 -7.917 -0.747 1.00 0.30 C ATOM 322 CD GLN A 22 -15.589 -7.983 0.756 1.00 0.37 C ATOM 323 OE1 GLN A 22 -14.862 -8.691 1.451 1.00 1.13 O ATOM 324 NE2 GLN A 22 -16.565 -7.239 1.265 1.00 1.17 N ATOM 0 H GLN A 22 -13.129 -8.516 -2.560 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.184 -6.514 -3.159 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.480 -6.981 -0.684 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -14.820 -5.859 -0.812 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.370 -7.752 -1.222 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.031 -8.877 -1.106 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -17.144 -6.667 0.650 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -16.736 -7.240 2.271 1.00 1.17 H new ATOM 333 N SER A 23 -13.730 -4.376 -2.987 1.00 0.29 N ATOM 334 CA SER A 23 -12.888 -3.225 -3.295 1.00 0.31 C ATOM 335 C SER A 23 -12.828 -2.248 -2.124 1.00 0.26 C ATOM 336 O SER A 23 -13.794 -2.101 -1.374 1.00 0.23 O ATOM 337 CB SER A 23 -13.409 -2.509 -4.541 1.00 0.37 C ATOM 338 OG SER A 23 -13.404 -3.373 -5.663 1.00 1.17 O ATOM 0 H SER A 23 -14.696 -4.144 -2.757 1.00 0.29 H new ATOM 0 HA SER A 23 -11.879 -3.592 -3.482 1.00 0.31 H new ATOM 0 HB2 SER A 23 -14.421 -2.148 -4.360 1.00 0.37 H new ATOM 0 HB3 SER A 23 -12.791 -1.635 -4.748 1.00 0.37 H new ATOM 0 HG SER A 23 -13.268 -2.848 -6.479 1.00 1.17 H new ATOM 344 N ILE A 24 -11.687 -1.581 -1.978 1.00 0.28 N ATOM 345 CA ILE A 24 -11.492 -0.614 -0.907 1.00 0.26 C ATOM 346 C ILE A 24 -12.012 0.760 -1.322 1.00 0.26 C ATOM 347 O ILE A 24 -11.484 1.378 -2.248 1.00 0.45 O ATOM 348 CB ILE A 24 -10.001 -0.484 -0.525 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.330 -1.862 -0.463 1.00 0.32 C ATOM 350 CG2 ILE A 24 -9.853 0.247 0.801 1.00 0.31 C ATOM 351 CD1 ILE A 24 -9.945 -2.805 0.550 1.00 0.31 C ATOM 0 H ILE A 24 -10.881 -1.695 -2.592 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.049 -0.978 -0.044 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.500 0.100 -1.298 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.380 -2.323 -1.449 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.274 -1.730 -0.226 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -8.796 0.330 1.055 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.285 1.244 0.717 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.371 -0.308 1.583 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.413 -3.756 0.531 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -9.871 -2.368 1.546 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -10.994 -2.970 0.303 1.00 0.31 H new ATOM 363 N THR A 25 -13.047 1.235 -0.635 1.00 0.32 N ATOM 364 CA THR A 25 -13.634 2.534 -0.944 1.00 0.35 C ATOM 365 C THR A 25 -13.075 3.622 -0.033 1.00 0.38 C ATOM 366 O THR A 25 -13.093 3.492 1.191 1.00 0.46 O ATOM 367 CB THR A 25 -15.168 2.503 -0.810 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.710 1.466 -1.636 1.00 0.40 O ATOM 369 CG2 THR A 25 -15.775 3.842 -1.209 1.00 0.44 C ATOM 0 H THR A 25 -13.495 0.741 0.137 1.00 0.32 H new ATOM 0 HA THR A 25 -13.372 2.762 -1.977 1.00 0.35 H new ATOM 0 HB THR A 25 -15.415 2.306 0.233 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.687 1.544 -1.660 1.00 0.40 H new ATOM 0 HG21 THR A 25 -16.859 3.795 -1.106 1.00 0.44 H new ATOM 0 HG22 THR A 25 -15.383 4.627 -0.562 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.518 4.064 -2.245 1.00 0.44 H new ATOM 377 N PHE A 26 -12.579 4.697 -0.640 1.00 0.37 N ATOM 378 CA PHE A 26 -12.017 5.812 0.115 1.00 0.40 C ATOM 379 C PHE A 26 -12.969 7.004 0.106 1.00 0.48 C ATOM 380 O PHE A 26 -12.917 7.845 -0.792 1.00 0.52 O ATOM 381 CB PHE A 26 -10.664 6.225 -0.473 1.00 0.39 C ATOM 382 CG PHE A 26 -9.636 5.130 -0.456 1.00 0.36 C ATOM 383 CD1 PHE A 26 -8.797 4.965 0.633 1.00 0.37 C ATOM 384 CD2 PHE A 26 -9.507 4.267 -1.532 1.00 0.38 C ATOM 385 CE1 PHE A 26 -7.849 3.958 0.650 1.00 0.38 C ATOM 386 CE2 PHE A 26 -8.562 3.259 -1.522 1.00 0.40 C ATOM 387 CZ PHE A 26 -7.732 3.105 -0.429 1.00 0.39 C ATOM 0 H PHE A 26 -12.555 4.819 -1.652 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.874 5.486 1.145 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.811 6.557 -1.501 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -10.281 7.079 0.086 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -8.884 5.630 1.479 1.00 0.37 H new ATOM 0 HD2 PHE A 26 -10.153 4.384 -2.389 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -7.201 3.839 1.506 1.00 0.38 H new ATOM 0 HE2 PHE A 26 -8.473 2.593 -2.367 1.00 0.40 H new ATOM 0 HZ PHE A 26 -6.992 2.318 -0.418 1.00 0.39 H new ATOM 397 N ALA A 27 -13.834 7.073 1.113 1.00 0.53 N ATOM 398 CA ALA A 27 -14.798 8.164 1.220 1.00 0.62 C ATOM 399 C ALA A 27 -14.147 9.420 1.789 1.00 0.64 C ATOM 400 O ALA A 27 -13.864 9.496 2.985 1.00 0.65 O ATOM 401 CB ALA A 27 -15.979 7.741 2.080 1.00 0.65 C ATOM 0 H ALA A 27 -13.888 6.387 1.866 1.00 0.53 H new ATOM 0 HA ALA A 27 -15.158 8.398 0.218 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.690 8.564 2.152 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -16.467 6.878 1.628 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -15.627 7.478 3.078 1.00 0.65 H new ATOM 407 N LEU A 28 -13.911 10.400 0.925 1.00 0.79 N ATOM 408 CA LEU A 28 -13.295 11.655 1.338 1.00 0.88 C ATOM 409 C LEU A 28 -14.359 12.715 1.607 1.00 0.88 C ATOM 410 O LEU A 28 -14.902 13.314 0.677 1.00 1.02 O ATOM 411 CB LEU A 28 -12.326 12.150 0.261 1.00 1.22 C ATOM 412 CG LEU A 28 -11.133 11.231 -0.011 1.00 1.08 C ATOM 413 CD1 LEU A 28 -10.480 11.586 -1.337 1.00 1.52 C ATOM 414 CD2 LEU A 28 -10.120 11.325 1.120 1.00 1.17 C ATOM 0 H LEU A 28 -14.138 10.349 -0.068 1.00 0.79 H new ATOM 0 HA LEU A 28 -12.741 11.476 2.260 1.00 0.88 H new ATOM 0 HB2 LEU A 28 -12.879 12.286 -0.668 1.00 1.22 H new ATOM 0 HB3 LEU A 28 -11.950 13.130 0.555 1.00 1.22 H new ATOM 0 HG LEU A 28 -11.495 10.204 -0.067 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -9.633 10.923 -1.515 1.00 1.52 H new ATOM 0 HD12 LEU A 28 -11.206 11.472 -2.142 1.00 1.52 H new ATOM 0 HD13 LEU A 28 -10.132 12.618 -1.306 1.00 1.52 H new ATOM 0 HD21 LEU A 28 -9.278 10.665 0.910 1.00 1.17 H new ATOM 0 HD22 LEU A 28 -9.764 12.352 1.205 1.00 1.17 H new ATOM 0 HD23 LEU A 28 -10.591 11.026 2.056 1.00 1.17 H new ATOM 426 N GLU A 29 -14.653 12.941 2.883 1.00 0.83 N ATOM 427 CA GLU A 29 -15.655 13.926 3.277 1.00 0.96 C ATOM 428 C GLU A 29 -15.073 15.336 3.270 1.00 1.04 C ATOM 429 O GLU A 29 -13.952 15.552 2.811 1.00 1.03 O ATOM 430 CB GLU A 29 -16.206 13.595 4.665 1.00 1.00 C ATOM 431 CG GLU A 29 -16.917 12.256 4.735 1.00 1.07 C ATOM 432 CD GLU A 29 -17.558 12.004 6.086 1.00 1.79 C ATOM 433 OE1 GLU A 29 -16.872 11.459 6.977 1.00 2.32 O ATOM 434 OE2 GLU A 29 -18.745 12.353 6.255 1.00 2.42 O ATOM 0 H GLU A 29 -14.211 12.455 3.663 1.00 0.83 H new ATOM 0 HA GLU A 29 -16.467 13.888 2.551 1.00 0.96 H new ATOM 0 HB2 GLU A 29 -15.385 13.599 5.382 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -16.898 14.380 4.968 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -17.683 12.215 3.961 1.00 1.07 H new ATOM 0 HG3 GLU A 29 -16.205 11.459 4.521 1.00 1.07 H new ATOM 441 N ASP A 30 -15.849 16.290 3.777 1.00 1.19 N ATOM 442 CA ASP A 30 -15.423 17.686 3.834 1.00 1.30 C ATOM 443 C ASP A 30 -14.025 17.816 4.433 1.00 1.12 C ATOM 444 O ASP A 30 -13.207 18.602 3.953 1.00 1.19 O ATOM 445 CB ASP A 30 -16.418 18.508 4.656 1.00 1.51 C ATOM 446 CG ASP A 30 -15.979 19.948 4.830 1.00 1.91 C ATOM 447 OD1 ASP A 30 -16.125 20.734 3.869 1.00 2.03 O ATOM 448 OD2 ASP A 30 -15.486 20.291 5.925 1.00 2.56 O ATOM 0 H ASP A 30 -16.781 16.121 4.156 1.00 1.19 H new ATOM 0 HA ASP A 30 -15.393 18.068 2.814 1.00 1.30 H new ATOM 0 HB2 ASP A 30 -17.393 18.485 4.169 1.00 1.51 H new ATOM 0 HB3 ASP A 30 -16.541 18.048 5.637 1.00 1.51 H new ATOM 453 N GLU A 31 -13.753 17.042 5.480 1.00 0.94 N ATOM 454 CA GLU A 31 -12.451 17.080 6.135 1.00 0.83 C ATOM 455 C GLU A 31 -12.153 15.764 6.844 1.00 0.75 C ATOM 456 O GLU A 31 -11.101 15.609 7.467 1.00 0.74 O ATOM 457 CB GLU A 31 -12.391 18.241 7.131 1.00 0.84 C ATOM 458 CG GLU A 31 -13.484 18.196 8.187 1.00 0.91 C ATOM 459 CD GLU A 31 -13.406 19.363 9.153 1.00 0.99 C ATOM 460 OE1 GLU A 31 -14.008 20.417 8.858 1.00 0.95 O ATOM 461 OE2 GLU A 31 -12.746 19.220 10.203 1.00 1.15 O ATOM 0 H GLU A 31 -14.415 16.384 5.891 1.00 0.94 H new ATOM 0 HA GLU A 31 -11.692 17.231 5.367 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -11.420 18.234 7.625 1.00 0.84 H new ATOM 0 HB3 GLU A 31 -12.464 19.181 6.585 1.00 0.84 H new ATOM 0 HG2 GLU A 31 -14.458 18.198 7.698 1.00 0.91 H new ATOM 0 HG3 GLU A 31 -13.409 17.262 8.744 1.00 0.91 H new ATOM 468 N SER A 32 -13.083 14.818 6.749 1.00 0.75 N ATOM 469 CA SER A 32 -12.913 13.515 7.380 1.00 0.72 C ATOM 470 C SER A 32 -12.364 12.499 6.382 1.00 0.67 C ATOM 471 O SER A 32 -12.449 12.698 5.171 1.00 0.83 O ATOM 472 CB SER A 32 -14.244 13.023 7.950 1.00 0.84 C ATOM 473 OG SER A 32 -14.089 11.776 8.605 1.00 1.53 O ATOM 0 H SER A 32 -13.961 14.930 6.242 1.00 0.75 H new ATOM 0 HA SER A 32 -12.197 13.622 8.195 1.00 0.72 H new ATOM 0 HB2 SER A 32 -14.637 13.759 8.651 1.00 0.84 H new ATOM 0 HB3 SER A 32 -14.974 12.927 7.146 1.00 0.84 H new ATOM 0 HG SER A 32 -14.954 11.484 8.962 1.00 1.53 H new ATOM 479 N TYR A 33 -11.800 11.411 6.901 1.00 0.57 N ATOM 480 CA TYR A 33 -11.236 10.366 6.054 1.00 0.50 C ATOM 481 C TYR A 33 -11.800 8.999 6.427 1.00 0.46 C ATOM 482 O TYR A 33 -11.240 8.294 7.266 1.00 0.59 O ATOM 483 CB TYR A 33 -9.709 10.353 6.173 1.00 0.53 C ATOM 484 CG TYR A 33 -9.049 11.640 5.727 1.00 0.60 C ATOM 485 CD1 TYR A 33 -8.771 11.871 4.386 1.00 0.58 C ATOM 486 CD2 TYR A 33 -8.707 12.622 6.648 1.00 0.72 C ATOM 487 CE1 TYR A 33 -8.170 13.045 3.975 1.00 0.67 C ATOM 488 CE2 TYR A 33 -8.106 13.800 6.244 1.00 0.80 C ATOM 489 CZ TYR A 33 -7.836 14.005 4.909 1.00 0.76 C ATOM 490 OH TYR A 33 -7.240 15.176 4.498 1.00 0.86 O ATOM 0 H TYR A 33 -11.722 11.231 7.902 1.00 0.57 H new ATOM 0 HA TYR A 33 -11.511 10.581 5.021 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -9.437 10.157 7.210 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -9.315 9.529 5.578 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -9.029 11.121 3.653 1.00 0.58 H new ATOM 0 HD2 TYR A 33 -8.914 12.463 7.696 1.00 0.72 H new ATOM 0 HE1 TYR A 33 -7.962 13.211 2.928 1.00 0.67 H new ATOM 0 HE2 TYR A 33 -7.850 14.556 6.972 1.00 0.80 H new ATOM 0 HH TYR A 33 -6.523 14.972 3.862 1.00 0.86 H new ATOM 500 N GLU A 34 -12.914 8.632 5.799 1.00 0.46 N ATOM 501 CA GLU A 34 -13.551 7.347 6.064 1.00 0.42 C ATOM 502 C GLU A 34 -13.182 6.326 4.993 1.00 0.39 C ATOM 503 O GLU A 34 -13.185 6.635 3.801 1.00 0.46 O ATOM 504 CB GLU A 34 -15.072 7.509 6.126 1.00 0.50 C ATOM 505 CG GLU A 34 -15.542 8.432 7.237 1.00 0.55 C ATOM 506 CD GLU A 34 -15.165 7.928 8.617 1.00 1.50 C ATOM 507 OE1 GLU A 34 -15.939 7.135 9.192 1.00 1.48 O ATOM 508 OE2 GLU A 34 -14.094 8.327 9.121 1.00 2.46 O ATOM 0 H GLU A 34 -13.393 9.206 5.105 1.00 0.46 H new ATOM 0 HA GLU A 34 -13.192 6.985 7.027 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.427 7.895 5.170 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.528 6.528 6.263 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -15.112 9.422 7.087 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -16.625 8.542 7.178 1.00 0.55 H new ATOM 515 N ILE A 35 -12.867 5.109 5.426 1.00 0.34 N ATOM 516 CA ILE A 35 -12.498 4.040 4.504 1.00 0.32 C ATOM 517 C ILE A 35 -13.255 2.758 4.833 1.00 0.26 C ATOM 518 O ILE A 35 -13.251 2.301 5.976 1.00 0.32 O ATOM 519 CB ILE A 35 -10.981 3.759 4.551 1.00 0.39 C ATOM 520 CG1 ILE A 35 -10.194 5.054 4.341 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.603 2.723 3.502 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.706 4.909 4.586 1.00 0.54 C ATOM 0 H ILE A 35 -12.860 4.839 6.409 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.765 4.372 3.501 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.729 3.360 5.534 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -10.353 5.404 3.321 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.590 5.821 5.006 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -9.530 2.535 3.547 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -11.143 1.796 3.695 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.865 3.096 2.512 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -8.214 5.867 4.418 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.536 4.589 5.614 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -8.295 4.166 3.903 1.00 0.54 H new ATOM 534 N TYR A 36 -13.904 2.180 3.825 1.00 0.21 N ATOM 535 CA TYR A 36 -14.664 0.949 4.015 1.00 0.21 C ATOM 536 C TYR A 36 -14.653 0.096 2.750 1.00 0.23 C ATOM 537 O TYR A 36 -14.720 0.616 1.636 1.00 0.48 O ATOM 538 CB TYR A 36 -16.106 1.270 4.418 1.00 0.29 C ATOM 539 CG TYR A 36 -16.799 2.246 3.494 1.00 1.07 C ATOM 540 CD1 TYR A 36 -16.724 3.616 3.718 1.00 0.96 C ATOM 541 CD2 TYR A 36 -17.533 1.800 2.401 1.00 2.26 C ATOM 542 CE1 TYR A 36 -17.358 4.512 2.879 1.00 1.97 C ATOM 543 CE2 TYR A 36 -18.169 2.690 1.557 1.00 3.30 C ATOM 544 CZ TYR A 36 -18.080 4.044 1.801 1.00 3.14 C ATOM 545 OH TYR A 36 -18.712 4.934 0.964 1.00 4.17 O ATOM 0 H TYR A 36 -13.919 2.543 2.872 1.00 0.21 H new ATOM 0 HA TYR A 36 -14.189 0.381 4.815 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.679 0.343 4.447 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -16.108 1.678 5.429 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -16.161 3.986 4.562 1.00 0.96 H new ATOM 0 HD2 TYR A 36 -17.607 0.740 2.208 1.00 2.26 H new ATOM 0 HE1 TYR A 36 -17.289 5.573 3.066 1.00 1.97 H new ATOM 0 HE2 TYR A 36 -18.733 2.327 0.711 1.00 3.30 H new ATOM 0 HH TYR A 36 -19.176 4.443 0.254 1.00 4.17 H new ATOM 555 N VAL A 37 -14.566 -1.219 2.932 1.00 0.19 N ATOM 556 CA VAL A 37 -14.546 -2.152 1.809 1.00 0.17 C ATOM 557 C VAL A 37 -15.964 -2.533 1.393 1.00 0.18 C ATOM 558 O VAL A 37 -16.767 -2.963 2.220 1.00 0.27 O ATOM 559 CB VAL A 37 -13.766 -3.435 2.157 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.575 -4.297 0.920 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.424 -3.096 2.789 1.00 0.24 C ATOM 0 H VAL A 37 -14.508 -1.663 3.848 1.00 0.19 H new ATOM 0 HA VAL A 37 -14.047 -1.645 0.983 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.349 -4.002 2.883 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -13.022 -5.198 1.186 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.549 -4.575 0.516 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -13.017 -3.738 0.169 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -11.891 -4.017 3.026 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.832 -2.504 2.091 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.586 -2.525 3.703 1.00 0.24 H new ATOM 571 N GLU A 38 -16.265 -2.375 0.106 1.00 0.24 N ATOM 572 CA GLU A 38 -17.588 -2.704 -0.416 1.00 0.27 C ATOM 573 C GLU A 38 -17.544 -3.972 -1.264 1.00 0.31 C ATOM 574 O GLU A 38 -16.477 -4.410 -1.690 1.00 0.39 O ATOM 575 CB GLU A 38 -18.136 -1.542 -1.247 1.00 0.29 C ATOM 576 CG GLU A 38 -18.413 -0.289 -0.434 1.00 0.33 C ATOM 577 CD GLU A 38 -19.080 0.800 -1.251 1.00 1.05 C ATOM 578 OE1 GLU A 38 -20.301 0.698 -1.491 1.00 0.89 O ATOM 579 OE2 GLU A 38 -18.382 1.755 -1.650 1.00 2.07 O ATOM 0 H GLU A 38 -15.612 -2.022 -0.593 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.249 -2.880 0.433 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.423 -1.303 -2.036 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -19.057 -1.859 -1.736 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -19.049 -0.544 0.414 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -17.476 0.090 -0.027 1.00 0.33 H new ATOM 586 N ASP A 39 -18.717 -4.555 -1.504 1.00 0.35 N ATOM 587 CA ASP A 39 -18.820 -5.773 -2.303 1.00 0.43 C ATOM 588 C ASP A 39 -19.315 -5.456 -3.711 1.00 0.47 C ATOM 589 O ASP A 39 -20.220 -4.643 -3.893 1.00 0.61 O ATOM 590 CB ASP A 39 -19.765 -6.770 -1.633 1.00 0.52 C ATOM 591 CG ASP A 39 -19.276 -7.203 -0.266 1.00 1.42 C ATOM 592 OD1 ASP A 39 -19.498 -6.454 0.709 1.00 2.20 O ATOM 593 OD2 ASP A 39 -18.673 -8.294 -0.169 1.00 1.91 O ATOM 0 H ASP A 39 -19.609 -4.203 -1.156 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.827 -6.217 -2.374 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -20.753 -6.321 -1.536 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -19.875 -7.647 -2.271 1.00 0.52 H new ATOM 598 N LEU A 40 -18.716 -6.108 -4.703 1.00 0.46 N ATOM 599 CA LEU A 40 -19.094 -5.896 -6.095 1.00 0.53 C ATOM 600 C LEU A 40 -20.062 -6.975 -6.572 1.00 0.57 C ATOM 601 O LEU A 40 -20.153 -8.050 -5.976 1.00 0.62 O ATOM 602 CB LEU A 40 -17.850 -5.887 -6.986 1.00 0.62 C ATOM 603 CG LEU A 40 -16.836 -4.782 -6.685 1.00 0.86 C ATOM 604 CD1 LEU A 40 -15.583 -4.968 -7.524 1.00 1.05 C ATOM 605 CD2 LEU A 40 -17.448 -3.410 -6.936 1.00 1.02 C ATOM 0 H LEU A 40 -17.967 -6.787 -4.568 1.00 0.46 H new ATOM 0 HA LEU A 40 -19.594 -4.930 -6.163 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -17.350 -6.851 -6.893 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -18.168 -5.792 -8.024 1.00 0.62 H new ATOM 0 HG LEU A 40 -16.560 -4.846 -5.633 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -14.872 -4.173 -7.297 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -15.132 -5.934 -7.296 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -15.844 -4.930 -8.582 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -16.711 -2.637 -6.716 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -17.754 -3.333 -7.979 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -18.317 -3.276 -6.292 1.00 1.02 H new ATOM 617 N LYS A 41 -20.785 -6.679 -7.648 1.00 0.84 N ATOM 618 CA LYS A 41 -21.748 -7.619 -8.210 1.00 1.06 C ATOM 619 C LYS A 41 -22.058 -7.274 -9.665 1.00 1.17 C ATOM 620 O LYS A 41 -22.015 -8.139 -10.540 1.00 1.58 O ATOM 621 CB LYS A 41 -23.032 -7.624 -7.378 1.00 1.22 C ATOM 622 CG LYS A 41 -23.638 -6.243 -7.178 1.00 1.38 C ATOM 623 CD LYS A 41 -24.884 -6.297 -6.306 1.00 1.63 C ATOM 624 CE LYS A 41 -24.546 -6.667 -4.869 1.00 1.68 C ATOM 625 NZ LYS A 41 -25.764 -6.762 -4.019 1.00 2.27 N ATOM 0 H LYS A 41 -20.721 -5.793 -8.149 1.00 0.84 H new ATOM 0 HA LYS A 41 -21.309 -8.616 -8.183 1.00 1.06 H new ATOM 0 HB2 LYS A 41 -23.767 -8.266 -7.864 1.00 1.22 H new ATOM 0 HB3 LYS A 41 -22.821 -8.063 -6.403 1.00 1.22 H new ATOM 0 HG2 LYS A 41 -22.900 -5.585 -6.719 1.00 1.38 H new ATOM 0 HG3 LYS A 41 -23.890 -5.812 -8.147 1.00 1.38 H new ATOM 0 HD2 LYS A 41 -25.384 -5.329 -6.325 1.00 1.63 H new ATOM 0 HD3 LYS A 41 -25.584 -7.026 -6.715 1.00 1.63 H new ATOM 0 HE2 LYS A 41 -24.018 -7.620 -4.854 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -23.869 -5.921 -4.452 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -25.491 -7.016 -3.048 1.00 2.27 H new ATOM 0 HZ2 LYS A 41 -26.255 -5.845 -4.012 1.00 2.27 H new ATOM 0 HZ3 LYS A 41 -26.399 -7.491 -4.402 1.00 2.27 H new ATOM 639 N LYS A 42 -22.368 -6.005 -9.916 1.00 1.21 N ATOM 640 CA LYS A 42 -22.682 -5.541 -11.263 1.00 1.37 C ATOM 641 C LYS A 42 -21.496 -4.796 -11.868 1.00 1.45 C ATOM 642 O LYS A 42 -20.399 -4.802 -11.310 1.00 1.51 O ATOM 643 CB LYS A 42 -23.910 -4.627 -11.238 1.00 1.51 C ATOM 644 CG LYS A 42 -25.137 -5.264 -10.603 1.00 1.51 C ATOM 645 CD LYS A 42 -25.579 -6.507 -11.358 1.00 1.81 C ATOM 646 CE LYS A 42 -26.829 -7.117 -10.747 1.00 1.87 C ATOM 647 NZ LYS A 42 -27.970 -6.159 -10.745 1.00 2.49 N ATOM 0 H LYS A 42 -22.408 -5.278 -9.202 1.00 1.21 H new ATOM 0 HA LYS A 42 -22.899 -6.413 -11.880 1.00 1.37 H new ATOM 0 HB2 LYS A 42 -23.662 -3.716 -10.693 1.00 1.51 H new ATOM 0 HB3 LYS A 42 -24.153 -4.332 -12.259 1.00 1.51 H new ATOM 0 HG2 LYS A 42 -24.917 -5.526 -9.568 1.00 1.51 H new ATOM 0 HG3 LYS A 42 -25.953 -4.541 -10.582 1.00 1.51 H new ATOM 0 HD2 LYS A 42 -25.770 -6.252 -12.400 1.00 1.81 H new ATOM 0 HD3 LYS A 42 -24.774 -7.242 -11.352 1.00 1.81 H new ATOM 0 HE2 LYS A 42 -27.107 -8.011 -11.305 1.00 1.87 H new ATOM 0 HE3 LYS A 42 -26.617 -7.432 -9.725 1.00 1.87 H new ATOM 0 HZ1 LYS A 42 -28.857 -6.676 -10.580 1.00 2.49 H new ATOM 0 HZ2 LYS A 42 -27.833 -5.457 -9.990 1.00 2.49 H new ATOM 0 HZ3 LYS A 42 -28.018 -5.674 -11.664 1.00 2.49 H new ATOM 661 N ASP A 43 -21.725 -4.154 -13.009 1.00 1.86 N ATOM 662 CA ASP A 43 -20.676 -3.399 -13.688 1.00 2.00 C ATOM 663 C ASP A 43 -20.496 -2.024 -13.047 1.00 1.95 C ATOM 664 O ASP A 43 -20.863 -1.002 -13.629 1.00 2.34 O ATOM 665 CB ASP A 43 -21.009 -3.243 -15.173 1.00 2.46 C ATOM 666 CG ASP A 43 -21.242 -4.574 -15.859 1.00 2.78 C ATOM 667 OD1 ASP A 43 -20.247 -5.262 -16.174 1.00 2.94 O ATOM 668 OD2 ASP A 43 -22.418 -4.931 -16.080 1.00 3.40 O ATOM 0 H ASP A 43 -22.628 -4.141 -13.484 1.00 1.86 H new ATOM 0 HA ASP A 43 -19.742 -3.952 -13.590 1.00 2.00 H new ATOM 0 HB2 ASP A 43 -21.899 -2.623 -15.279 1.00 2.46 H new ATOM 0 HB3 ASP A 43 -20.194 -2.719 -15.672 1.00 2.46 H new ATOM 673 N GLU A 44 -19.924 -2.009 -11.846 1.00 1.52 N ATOM 674 CA GLU A 44 -19.695 -0.764 -11.124 1.00 1.51 C ATOM 675 C GLU A 44 -18.202 -0.489 -10.980 1.00 1.33 C ATOM 676 O GLU A 44 -17.427 -1.387 -10.650 1.00 1.10 O ATOM 677 CB GLU A 44 -20.352 -0.823 -9.743 1.00 1.42 C ATOM 678 CG GLU A 44 -21.863 -0.985 -9.796 1.00 1.69 C ATOM 679 CD GLU A 44 -22.553 0.194 -10.455 1.00 2.24 C ATOM 680 OE1 GLU A 44 -22.704 0.178 -11.695 1.00 2.84 O ATOM 681 OE2 GLU A 44 -22.943 1.134 -9.730 1.00 2.42 O ATOM 0 H GLU A 44 -19.611 -2.846 -11.354 1.00 1.52 H new ATOM 0 HA GLU A 44 -20.143 0.049 -11.696 1.00 1.51 H new ATOM 0 HB2 GLU A 44 -19.925 -1.654 -9.182 1.00 1.42 H new ATOM 0 HB3 GLU A 44 -20.111 0.088 -9.196 1.00 1.42 H new ATOM 0 HG2 GLU A 44 -22.108 -1.896 -10.342 1.00 1.69 H new ATOM 0 HG3 GLU A 44 -22.247 -1.107 -8.783 1.00 1.69 H new ATOM 688 N LYS A 45 -17.808 0.755 -11.227 1.00 1.57 N ATOM 689 CA LYS A 45 -16.409 1.143 -11.129 1.00 1.48 C ATOM 690 C LYS A 45 -16.139 1.878 -9.820 1.00 1.22 C ATOM 691 O LYS A 45 -16.584 3.010 -9.628 1.00 1.49 O ATOM 692 CB LYS A 45 -16.020 2.028 -12.316 1.00 1.83 C ATOM 693 CG LYS A 45 -16.440 1.464 -13.667 1.00 2.22 C ATOM 694 CD LYS A 45 -15.814 0.101 -13.936 1.00 1.95 C ATOM 695 CE LYS A 45 -14.296 0.180 -13.994 1.00 2.20 C ATOM 696 NZ LYS A 45 -13.825 1.084 -15.079 1.00 3.04 N ATOM 0 H LYS A 45 -18.438 1.510 -11.496 1.00 1.57 H new ATOM 0 HA LYS A 45 -15.803 0.237 -11.147 1.00 1.48 H new ATOM 0 HB2 LYS A 45 -16.472 3.012 -12.187 1.00 1.83 H new ATOM 0 HB3 LYS A 45 -14.939 2.170 -12.312 1.00 1.83 H new ATOM 0 HG2 LYS A 45 -17.526 1.377 -13.702 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -16.150 2.158 -14.456 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -16.112 -0.597 -13.154 1.00 1.95 H new ATOM 0 HD3 LYS A 45 -16.194 -0.294 -14.878 1.00 1.95 H new ATOM 0 HE2 LYS A 45 -13.915 0.534 -13.036 1.00 2.20 H new ATOM 0 HE3 LYS A 45 -13.887 -0.818 -14.151 1.00 2.20 H new ATOM 0 HZ1 LYS A 45 -12.802 0.956 -15.218 1.00 3.04 H new ATOM 0 HZ2 LYS A 45 -14.326 0.857 -15.962 1.00 3.04 H new ATOM 0 HZ3 LYS A 45 -14.017 2.072 -14.816 1.00 3.04 H new ATOM 710 N LYS A 46 -15.409 1.225 -8.923 1.00 0.85 N ATOM 711 CA LYS A 46 -15.078 1.812 -7.626 1.00 0.63 C ATOM 712 C LYS A 46 -13.976 2.858 -7.758 1.00 0.59 C ATOM 713 O LYS A 46 -13.637 3.284 -8.864 1.00 0.73 O ATOM 714 CB LYS A 46 -14.647 0.719 -6.647 1.00 0.43 C ATOM 715 CG LYS A 46 -15.798 -0.141 -6.148 1.00 0.49 C ATOM 716 CD LYS A 46 -16.704 0.625 -5.199 1.00 0.75 C ATOM 717 CE LYS A 46 -18.061 -0.045 -5.078 1.00 0.88 C ATOM 718 NZ LYS A 46 -18.997 0.400 -6.146 1.00 1.71 N ATOM 0 H LYS A 46 -15.034 0.288 -9.069 1.00 0.85 H new ATOM 0 HA LYS A 46 -15.971 2.306 -7.243 1.00 0.63 H new ATOM 0 HB2 LYS A 46 -13.910 0.079 -7.132 1.00 0.43 H new ATOM 0 HB3 LYS A 46 -14.154 1.182 -5.792 1.00 0.43 H new ATOM 0 HG2 LYS A 46 -16.380 -0.498 -6.998 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -15.401 -1.021 -5.641 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -16.237 0.687 -4.216 1.00 0.75 H new ATOM 0 HD3 LYS A 46 -16.830 1.647 -5.557 1.00 0.75 H new ATOM 0 HE2 LYS A 46 -17.938 -1.127 -5.131 1.00 0.88 H new ATOM 0 HE3 LYS A 46 -18.491 0.179 -4.102 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 -19.912 -0.080 -6.028 1.00 1.71 H new ATOM 0 HZ2 LYS A 46 -19.135 1.429 -6.080 1.00 1.71 H new ATOM 0 HZ3 LYS A 46 -18.599 0.163 -7.077 1.00 1.71 H new ATOM 732 N ASP A 47 -13.422 3.269 -6.623 1.00 0.48 N ATOM 733 CA ASP A 47 -12.359 4.266 -6.602 1.00 0.44 C ATOM 734 C ASP A 47 -11.031 3.665 -7.054 1.00 0.39 C ATOM 735 O ASP A 47 -10.752 2.493 -6.806 1.00 0.42 O ATOM 736 CB ASP A 47 -12.210 4.851 -5.197 1.00 0.45 C ATOM 737 CG ASP A 47 -11.069 5.844 -5.104 1.00 1.22 C ATOM 738 OD1 ASP A 47 -11.276 7.024 -5.460 1.00 1.14 O ATOM 739 OD2 ASP A 47 -9.965 5.444 -4.675 1.00 2.20 O ATOM 0 H ASP A 47 -13.693 2.925 -5.702 1.00 0.48 H new ATOM 0 HA ASP A 47 -12.631 5.060 -7.297 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -13.140 5.342 -4.910 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -12.044 4.042 -4.485 1.00 0.45 H new ATOM 744 N LYS A 48 -10.220 4.479 -7.724 1.00 0.37 N ATOM 745 CA LYS A 48 -8.917 4.037 -8.206 1.00 0.34 C ATOM 746 C LYS A 48 -7.796 4.687 -7.402 1.00 0.30 C ATOM 747 O LYS A 48 -7.986 5.742 -6.795 1.00 0.39 O ATOM 748 CB LYS A 48 -8.757 4.365 -9.693 1.00 0.41 C ATOM 749 CG LYS A 48 -9.349 3.314 -10.621 1.00 0.46 C ATOM 750 CD LYS A 48 -10.853 3.182 -10.444 1.00 0.64 C ATOM 751 CE LYS A 48 -11.423 2.085 -11.329 1.00 0.82 C ATOM 752 NZ LYS A 48 -12.881 1.889 -11.102 1.00 1.35 N ATOM 0 H LYS A 48 -10.444 5.449 -7.945 1.00 0.37 H new ATOM 0 HA LYS A 48 -8.855 2.957 -8.076 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -9.231 5.325 -9.897 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -7.697 4.479 -9.918 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -9.127 3.577 -11.655 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.875 2.352 -10.428 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -11.080 2.964 -9.400 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -11.333 4.131 -10.683 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -11.249 2.336 -12.375 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -10.897 1.151 -11.134 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -13.110 0.877 -11.170 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -13.135 2.238 -10.156 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -13.418 2.415 -11.821 1.00 1.35 H new ATOM 766 N VAL A 49 -6.628 4.051 -7.400 1.00 0.29 N ATOM 767 CA VAL A 49 -5.478 4.565 -6.662 1.00 0.27 C ATOM 768 C VAL A 49 -4.216 4.538 -7.518 1.00 0.23 C ATOM 769 O VAL A 49 -3.829 3.493 -8.039 1.00 0.28 O ATOM 770 CB VAL A 49 -5.231 3.752 -5.376 1.00 0.31 C ATOM 771 CG1 VAL A 49 -4.120 4.375 -4.546 1.00 0.61 C ATOM 772 CG2 VAL A 49 -6.510 3.636 -4.562 1.00 0.87 C ATOM 0 H VAL A 49 -6.453 3.180 -7.901 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.708 5.596 -6.395 1.00 0.27 H new ATOM 0 HB VAL A 49 -4.916 2.749 -5.664 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -3.964 3.783 -3.644 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -3.199 4.397 -5.129 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.399 5.392 -4.269 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -6.315 3.059 -3.658 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -6.859 4.632 -4.288 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -7.275 3.134 -5.155 1.00 0.87 H new ATOM 782 N LEU A 50 -3.575 5.695 -7.655 1.00 0.21 N ATOM 783 CA LEU A 50 -2.352 5.804 -8.445 1.00 0.21 C ATOM 784 C LEU A 50 -1.193 5.110 -7.736 1.00 0.20 C ATOM 785 O LEU A 50 -0.624 5.647 -6.787 1.00 0.26 O ATOM 786 CB LEU A 50 -2.007 7.277 -8.687 1.00 0.24 C ATOM 787 CG LEU A 50 -0.720 7.522 -9.478 1.00 0.29 C ATOM 788 CD1 LEU A 50 -0.875 7.051 -10.916 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.342 8.996 -9.435 1.00 0.35 C ATOM 0 H LEU A 50 -3.882 6.570 -7.230 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.519 5.315 -9.405 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -2.836 7.745 -9.218 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -1.923 7.777 -7.722 1.00 0.24 H new ATOM 0 HG LEU A 50 0.082 6.946 -9.016 1.00 0.29 H new ATOM 0 HD11 LEU A 50 0.051 7.234 -11.461 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -1.098 5.984 -10.927 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.690 7.597 -11.392 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.575 9.153 -10.002 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -1.145 9.590 -9.871 1.00 0.35 H new ATOM 0 HD23 LEU A 50 -0.186 9.301 -8.400 1.00 0.35 H new ATOM 801 N LEU A 51 -0.846 3.914 -8.204 1.00 0.20 N ATOM 802 CA LEU A 51 0.246 3.153 -7.606 1.00 0.22 C ATOM 803 C LEU A 51 1.547 3.373 -8.369 1.00 0.23 C ATOM 804 O LEU A 51 1.561 3.400 -9.602 1.00 0.37 O ATOM 805 CB LEU A 51 -0.096 1.659 -7.571 1.00 0.24 C ATOM 806 CG LEU A 51 -1.499 1.305 -7.059 1.00 0.58 C ATOM 807 CD1 LEU A 51 -1.546 -0.139 -6.593 1.00 0.98 C ATOM 808 CD2 LEU A 51 -1.925 2.236 -5.932 1.00 1.50 C ATOM 0 H LEU A 51 -1.303 3.453 -8.991 1.00 0.20 H new ATOM 0 HA LEU A 51 0.382 3.508 -6.584 1.00 0.22 H new ATOM 0 HB2 LEU A 51 0.014 1.257 -8.578 1.00 0.24 H new ATOM 0 HB3 LEU A 51 0.637 1.153 -6.943 1.00 0.24 H new ATOM 0 HG LEU A 51 -2.198 1.431 -7.886 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.548 -0.373 -6.233 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -1.296 -0.798 -7.424 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -0.828 -0.284 -5.786 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -2.923 1.961 -5.590 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -1.221 2.151 -5.104 1.00 1.50 H new ATOM 0 HD23 LEU A 51 -1.936 3.264 -6.294 1.00 1.50 H new ATOM 820 N SER A 52 2.638 3.537 -7.627 1.00 0.17 N ATOM 821 CA SER A 52 3.950 3.755 -8.232 1.00 0.18 C ATOM 822 C SER A 52 4.996 2.823 -7.627 1.00 0.20 C ATOM 823 O SER A 52 5.038 2.629 -6.413 1.00 0.28 O ATOM 824 CB SER A 52 4.382 5.212 -8.047 1.00 0.18 C ATOM 825 OG SER A 52 3.441 6.102 -8.624 1.00 1.18 O ATOM 0 H SER A 52 2.641 3.523 -6.607 1.00 0.17 H new ATOM 0 HA SER A 52 3.870 3.536 -9.297 1.00 0.18 H new ATOM 0 HB2 SER A 52 4.489 5.430 -6.984 1.00 0.18 H new ATOM 0 HB3 SER A 52 5.360 5.365 -8.504 1.00 0.18 H new ATOM 0 HG SER A 52 3.740 7.026 -8.491 1.00 1.18 H new ATOM 831 N TYR A 53 5.837 2.249 -8.483 1.00 0.19 N ATOM 832 CA TYR A 53 6.887 1.339 -8.038 1.00 0.21 C ATOM 833 C TYR A 53 8.210 2.073 -7.858 1.00 0.20 C ATOM 834 O TYR A 53 8.496 3.040 -8.564 1.00 0.21 O ATOM 835 CB TYR A 53 7.062 0.195 -9.038 1.00 0.25 C ATOM 836 CG TYR A 53 5.988 -0.864 -8.948 1.00 0.36 C ATOM 837 CD1 TYR A 53 4.719 -0.636 -9.466 1.00 0.52 C ATOM 838 CD2 TYR A 53 6.239 -2.089 -8.344 1.00 0.52 C ATOM 839 CE1 TYR A 53 3.732 -1.599 -9.385 1.00 0.65 C ATOM 840 CE2 TYR A 53 5.256 -3.057 -8.258 1.00 0.64 C ATOM 841 CZ TYR A 53 4.016 -2.819 -8.783 1.00 0.66 C ATOM 842 OH TYR A 53 3.024 -3.768 -8.699 1.00 0.82 O ATOM 0 H TYR A 53 5.811 2.399 -9.492 1.00 0.19 H new ATOM 0 HA TYR A 53 6.585 0.929 -7.074 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.070 0.606 -10.048 1.00 0.25 H new ATOM 0 HB3 TYR A 53 8.034 -0.272 -8.876 1.00 0.25 H new ATOM 0 HD1 TYR A 53 4.501 0.310 -9.940 1.00 0.52 H new ATOM 0 HD2 TYR A 53 7.218 -2.289 -7.935 1.00 0.52 H new ATOM 0 HE1 TYR A 53 2.748 -1.406 -9.786 1.00 0.65 H new ATOM 0 HE2 TYR A 53 5.467 -4.000 -7.777 1.00 0.64 H new ATOM 0 HH TYR A 53 3.373 -4.568 -8.254 1.00 0.82 H new ATOM 852 N TYR A 54 9.013 1.605 -6.907 1.00 0.21 N ATOM 853 CA TYR A 54 10.311 2.214 -6.633 1.00 0.22 C ATOM 854 C TYR A 54 11.358 1.144 -6.337 1.00 0.25 C ATOM 855 O TYR A 54 11.059 0.125 -5.715 1.00 0.31 O ATOM 856 CB TYR A 54 10.206 3.182 -5.453 1.00 0.22 C ATOM 857 CG TYR A 54 9.344 4.392 -5.739 1.00 0.23 C ATOM 858 CD1 TYR A 54 9.890 5.540 -6.298 1.00 0.31 C ATOM 859 CD2 TYR A 54 7.985 4.385 -5.450 1.00 0.22 C ATOM 860 CE1 TYR A 54 9.106 6.648 -6.562 1.00 0.35 C ATOM 861 CE2 TYR A 54 7.195 5.488 -5.712 1.00 0.25 C ATOM 862 CZ TYR A 54 7.760 6.617 -6.267 1.00 0.30 C ATOM 863 OH TYR A 54 6.976 7.717 -6.528 1.00 0.35 O ATOM 0 H TYR A 54 8.788 0.807 -6.313 1.00 0.21 H new ATOM 0 HA TYR A 54 10.621 2.768 -7.519 1.00 0.22 H new ATOM 0 HB2 TYR A 54 9.798 2.651 -4.593 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.206 3.516 -5.177 1.00 0.22 H new ATOM 0 HD1 TYR A 54 10.944 5.568 -6.530 1.00 0.31 H new ATOM 0 HD2 TYR A 54 7.539 3.503 -5.014 1.00 0.22 H new ATOM 0 HE1 TYR A 54 9.546 7.533 -6.997 1.00 0.35 H new ATOM 0 HE2 TYR A 54 6.140 5.466 -5.483 1.00 0.25 H new ATOM 0 HH TYR A 54 6.051 7.530 -6.263 1.00 0.35 H new ATOM 873 N GLU A 55 12.586 1.382 -6.788 1.00 0.26 N ATOM 874 CA GLU A 55 13.676 0.439 -6.565 1.00 0.30 C ATOM 875 C GLU A 55 14.563 0.897 -5.412 1.00 0.33 C ATOM 876 O GLU A 55 14.574 2.075 -5.054 1.00 0.53 O ATOM 877 CB GLU A 55 14.506 0.265 -7.840 1.00 0.44 C ATOM 878 CG GLU A 55 14.936 1.576 -8.482 1.00 1.14 C ATOM 879 CD GLU A 55 16.028 2.282 -7.704 1.00 1.52 C ATOM 880 OE1 GLU A 55 17.167 1.769 -7.680 1.00 2.05 O ATOM 881 OE2 GLU A 55 15.743 3.345 -7.111 1.00 1.73 O ATOM 0 H GLU A 55 12.851 2.218 -7.309 1.00 0.26 H new ATOM 0 HA GLU A 55 13.241 -0.525 -6.300 1.00 0.30 H new ATOM 0 HB2 GLU A 55 15.394 -0.322 -7.606 1.00 0.44 H new ATOM 0 HB3 GLU A 55 13.927 -0.309 -8.563 1.00 0.44 H new ATOM 0 HG2 GLU A 55 15.287 1.381 -9.495 1.00 1.14 H new ATOM 0 HG3 GLU A 55 14.072 2.235 -8.565 1.00 1.14 H new ATOM 888 N SER A 56 15.304 -0.041 -4.834 1.00 0.45 N ATOM 889 CA SER A 56 16.192 0.265 -3.717 1.00 0.57 C ATOM 890 C SER A 56 17.544 -0.418 -3.892 1.00 0.83 C ATOM 891 O SER A 56 17.645 -1.643 -3.824 1.00 1.21 O ATOM 892 CB SER A 56 15.553 -0.176 -2.400 1.00 0.71 C ATOM 893 OG SER A 56 16.395 0.116 -1.298 1.00 1.19 O ATOM 0 H SER A 56 15.308 -1.020 -5.120 1.00 0.45 H new ATOM 0 HA SER A 56 16.351 1.343 -3.696 1.00 0.57 H new ATOM 0 HB2 SER A 56 14.594 0.327 -2.272 1.00 0.71 H new ATOM 0 HB3 SER A 56 15.350 -1.246 -2.432 1.00 0.71 H new ATOM 0 HG SER A 56 15.961 -0.175 -0.469 1.00 1.19 H new ATOM 899 N GLN A 57 18.582 0.383 -4.119 1.00 0.92 N ATOM 900 CA GLN A 57 19.930 -0.145 -4.299 1.00 1.22 C ATOM 901 C GLN A 57 20.947 0.697 -3.536 1.00 1.17 C ATOM 902 O GLN A 57 21.263 1.819 -3.933 1.00 1.33 O ATOM 903 CB GLN A 57 20.296 -0.178 -5.787 1.00 1.70 C ATOM 904 CG GLN A 57 19.347 -1.017 -6.630 1.00 1.81 C ATOM 905 CD GLN A 57 19.757 -1.068 -8.090 1.00 2.29 C ATOM 906 OE1 GLN A 57 20.941 -1.002 -8.417 1.00 2.89 O ATOM 907 NE2 GLN A 57 18.774 -1.187 -8.975 1.00 2.56 N ATOM 0 H GLN A 57 18.515 1.399 -4.182 1.00 0.92 H new ATOM 0 HA GLN A 57 19.951 -1.161 -3.904 1.00 1.22 H new ATOM 0 HB2 GLN A 57 20.306 0.841 -6.173 1.00 1.70 H new ATOM 0 HB3 GLN A 57 21.307 -0.570 -5.895 1.00 1.70 H new ATOM 0 HG2 GLN A 57 19.311 -2.031 -6.231 1.00 1.81 H new ATOM 0 HG3 GLN A 57 18.340 -0.608 -6.553 1.00 1.81 H new ATOM 0 HE21 GLN A 57 17.806 -1.238 -8.658 1.00 2.56 H new ATOM 0 HE22 GLN A 57 18.987 -1.227 -9.972 1.00 2.56 H new ATOM 916 N HIS A 58 21.459 0.149 -2.436 1.00 1.16 N ATOM 917 CA HIS A 58 22.439 0.852 -1.616 1.00 1.25 C ATOM 918 C HIS A 58 23.860 0.572 -2.107 1.00 1.32 C ATOM 919 O HIS A 58 24.365 -0.541 -1.954 1.00 1.40 O ATOM 920 CB HIS A 58 22.305 0.432 -0.150 1.00 1.42 C ATOM 921 CG HIS A 58 21.021 0.869 0.483 1.00 1.68 C ATOM 922 ND1 HIS A 58 19.852 0.140 0.397 1.00 2.18 N ATOM 923 CD2 HIS A 58 20.725 1.964 1.220 1.00 2.23 C ATOM 924 CE1 HIS A 58 18.895 0.769 1.053 1.00 2.52 C ATOM 925 NE2 HIS A 58 19.398 1.878 1.562 1.00 2.46 N ATOM 0 H HIS A 58 21.211 -0.779 -2.093 1.00 1.16 H new ATOM 0 HA HIS A 58 22.246 1.921 -1.701 1.00 1.25 H new ATOM 0 HB2 HIS A 58 22.383 -0.653 -0.083 1.00 1.42 H new ATOM 0 HB3 HIS A 58 23.139 0.847 0.416 1.00 1.42 H new ATOM 0 HD2 HIS A 58 21.406 2.758 1.489 1.00 2.23 H new ATOM 0 HE1 HIS A 58 17.874 0.433 1.156 1.00 2.52 H new ATOM 0 HE2 HIS A 58 18.884 2.561 2.119 1.00 2.46 H new ATOM 934 N PRO A 59 24.531 1.577 -2.708 1.00 1.53 N ATOM 935 CA PRO A 59 25.896 1.418 -3.214 1.00 1.67 C ATOM 936 C PRO A 59 26.933 1.411 -2.095 1.00 1.84 C ATOM 937 O PRO A 59 27.396 2.463 -1.656 1.00 2.52 O ATOM 938 CB PRO A 59 26.084 2.641 -4.109 1.00 2.10 C ATOM 939 CG PRO A 59 25.194 3.678 -3.517 1.00 2.33 C ATOM 940 CD PRO A 59 24.013 2.941 -2.944 1.00 1.88 C ATOM 0 HA PRO A 59 26.032 0.468 -3.731 1.00 1.67 H new ATOM 0 HB2 PRO A 59 27.123 2.969 -4.119 1.00 2.10 H new ATOM 0 HB3 PRO A 59 25.808 2.424 -5.141 1.00 2.10 H new ATOM 0 HG2 PRO A 59 25.714 4.241 -2.742 1.00 2.33 H new ATOM 0 HG3 PRO A 59 24.875 4.395 -4.273 1.00 2.33 H new ATOM 0 HD2 PRO A 59 23.663 3.402 -2.020 1.00 1.88 H new ATOM 0 HD3 PRO A 59 23.171 2.935 -3.636 1.00 1.88 H new ATOM 948 N SER A 60 27.294 0.214 -1.640 1.00 1.87 N ATOM 949 CA SER A 60 28.278 0.067 -0.571 1.00 2.25 C ATOM 950 C SER A 60 29.169 -1.145 -0.818 1.00 2.28 C ATOM 951 O SER A 60 30.322 -1.007 -1.227 1.00 2.89 O ATOM 952 CB SER A 60 27.578 -0.062 0.784 1.00 2.98 C ATOM 953 OG SER A 60 26.777 1.074 1.056 1.00 3.59 O ATOM 0 H SER A 60 26.921 -0.667 -1.994 1.00 1.87 H new ATOM 0 HA SER A 60 28.904 0.959 -0.561 1.00 2.25 H new ATOM 0 HB2 SER A 60 26.958 -0.958 0.792 1.00 2.98 H new ATOM 0 HB3 SER A 60 28.322 -0.182 1.571 1.00 2.98 H new ATOM 0 HG SER A 60 26.340 0.965 1.926 1.00 3.59 H new ATOM 959 N ASN A 61 28.627 -2.333 -0.568 1.00 2.36 N ATOM 960 CA ASN A 61 29.374 -3.571 -0.767 1.00 2.83 C ATOM 961 C ASN A 61 28.927 -4.273 -2.045 1.00 3.18 C ATOM 962 O ASN A 61 29.423 -5.348 -2.381 1.00 3.77 O ATOM 963 CB ASN A 61 29.191 -4.508 0.431 1.00 3.70 C ATOM 964 CG ASN A 61 29.768 -3.934 1.710 1.00 4.39 C ATOM 965 OD1 ASN A 61 29.774 -2.720 1.913 1.00 4.96 O ATOM 966 ND2 ASN A 61 30.264 -4.808 2.579 1.00 4.80 N ATOM 0 H ASN A 61 27.675 -2.465 -0.228 1.00 2.36 H new ATOM 0 HA ASN A 61 30.430 -3.315 -0.859 1.00 2.83 H new ATOM 0 HB2 ASN A 61 28.129 -4.708 0.573 1.00 3.70 H new ATOM 0 HB3 ASN A 61 29.669 -5.464 0.217 1.00 3.70 H new ATOM 0 HD21 ASN A 61 30.671 -4.481 3.455 1.00 4.80 H new ATOM 0 HD22 ASN A 61 30.238 -5.806 2.370 1.00 4.80 H new ATOM 973 N GLU A 62 27.983 -3.652 -2.750 1.00 3.41 N ATOM 974 CA GLU A 62 27.459 -4.205 -3.996 1.00 4.31 C ATOM 975 C GLU A 62 26.885 -5.599 -3.772 1.00 4.66 C ATOM 976 O GLU A 62 26.938 -6.454 -4.657 1.00 5.26 O ATOM 977 CB GLU A 62 28.555 -4.248 -5.061 1.00 5.11 C ATOM 978 CG GLU A 62 29.198 -2.896 -5.327 1.00 6.02 C ATOM 979 CD GLU A 62 30.308 -2.969 -6.358 1.00 6.49 C ATOM 980 OE1 GLU A 62 31.462 -3.249 -5.969 1.00 6.66 O ATOM 981 OE2 GLU A 62 30.022 -2.748 -7.553 1.00 6.92 O ATOM 0 H GLU A 62 27.565 -2.763 -2.478 1.00 3.41 H new ATOM 0 HA GLU A 62 26.655 -3.557 -4.345 1.00 4.31 H new ATOM 0 HB2 GLU A 62 29.326 -4.953 -4.749 1.00 5.11 H new ATOM 0 HB3 GLU A 62 28.132 -4.629 -5.991 1.00 5.11 H new ATOM 0 HG2 GLU A 62 28.435 -2.196 -5.669 1.00 6.02 H new ATOM 0 HG3 GLU A 62 29.599 -2.499 -4.394 1.00 6.02 H new ATOM 988 N SER A 63 26.335 -5.821 -2.582 1.00 4.71 N ATOM 989 CA SER A 63 25.754 -7.111 -2.236 1.00 5.40 C ATOM 990 C SER A 63 24.571 -7.442 -3.140 1.00 5.72 C ATOM 991 O SER A 63 23.506 -6.836 -3.031 1.00 6.12 O ATOM 992 CB SER A 63 25.309 -7.115 -0.773 1.00 6.13 C ATOM 993 OG SER A 63 24.745 -8.366 -0.415 1.00 6.64 O ATOM 0 H SER A 63 26.280 -5.122 -1.841 1.00 4.71 H new ATOM 0 HA SER A 63 26.519 -7.874 -2.381 1.00 5.40 H new ATOM 0 HB2 SER A 63 26.162 -6.900 -0.129 1.00 6.13 H new ATOM 0 HB3 SER A 63 24.578 -6.323 -0.610 1.00 6.13 H new ATOM 0 HG SER A 63 24.470 -8.344 0.525 1.00 6.64 H new ATOM 999 N GLY A 64 24.770 -8.408 -4.030 1.00 5.83 N ATOM 1000 CA GLY A 64 23.713 -8.809 -4.941 1.00 6.37 C ATOM 1001 C GLY A 64 23.595 -10.316 -5.057 1.00 6.20 C ATOM 1002 O GLY A 64 22.939 -10.958 -4.235 1.00 6.52 O ATOM 0 H GLY A 64 25.645 -8.921 -4.137 1.00 5.83 H new ATOM 0 HA2 GLY A 64 22.764 -8.398 -4.597 1.00 6.37 H new ATOM 0 HA3 GLY A 64 23.905 -8.385 -5.926 1.00 6.37 H new ATOM 1006 N ASP A 65 24.236 -10.880 -6.078 1.00 5.88 N ATOM 1007 CA ASP A 65 24.205 -12.322 -6.306 1.00 5.83 C ATOM 1008 C ASP A 65 22.770 -12.826 -6.430 1.00 5.38 C ATOM 1009 O ASP A 65 22.168 -13.267 -5.449 1.00 5.77 O ATOM 1010 CB ASP A 65 24.922 -13.056 -5.167 1.00 6.69 C ATOM 1011 CG ASP A 65 26.366 -12.612 -5.009 1.00 7.43 C ATOM 1012 OD1 ASP A 65 26.609 -11.625 -4.284 1.00 8.04 O ATOM 1013 OD2 ASP A 65 27.253 -13.255 -5.610 1.00 7.57 O ATOM 0 H ASP A 65 24.784 -10.359 -6.762 1.00 5.88 H new ATOM 0 HA ASP A 65 24.722 -12.527 -7.243 1.00 5.83 H new ATOM 0 HB2 ASP A 65 24.387 -12.882 -4.233 1.00 6.69 H new ATOM 0 HB3 ASP A 65 24.893 -14.129 -5.356 1.00 6.69 H new ATOM 1018 N GLY A 66 22.228 -12.759 -7.643 1.00 4.75 N ATOM 1019 CA GLY A 66 20.867 -13.212 -7.873 1.00 4.50 C ATOM 1020 C GLY A 66 20.047 -12.205 -8.653 1.00 4.15 C ATOM 1021 O GLY A 66 19.024 -11.722 -8.166 1.00 4.62 O ATOM 0 H GLY A 66 22.706 -12.400 -8.469 1.00 4.75 H new ATOM 0 HA2 GLY A 66 20.888 -14.157 -8.415 1.00 4.50 H new ATOM 0 HA3 GLY A 66 20.385 -13.405 -6.915 1.00 4.50 H new ATOM 1025 N VAL A 67 20.501 -11.895 -9.870 1.00 3.74 N ATOM 1026 CA VAL A 67 19.823 -10.939 -10.749 1.00 3.83 C ATOM 1027 C VAL A 67 19.239 -9.758 -9.973 1.00 3.19 C ATOM 1028 O VAL A 67 18.154 -9.268 -10.289 1.00 3.45 O ATOM 1029 CB VAL A 67 18.709 -11.613 -11.581 1.00 4.57 C ATOM 1030 CG1 VAL A 67 19.292 -12.701 -12.469 1.00 5.42 C ATOM 1031 CG2 VAL A 67 17.616 -12.180 -10.686 1.00 4.44 C ATOM 0 H VAL A 67 21.347 -12.298 -10.273 1.00 3.74 H new ATOM 0 HA VAL A 67 20.587 -10.561 -11.428 1.00 3.83 H new ATOM 0 HB VAL A 67 18.257 -10.851 -12.215 1.00 4.57 H new ATOM 0 HG11 VAL A 67 18.493 -13.165 -13.048 1.00 5.42 H new ATOM 0 HG12 VAL A 67 20.025 -12.263 -13.147 1.00 5.42 H new ATOM 0 HG13 VAL A 67 19.777 -13.456 -11.849 1.00 5.42 H new ATOM 0 HG21 VAL A 67 16.847 -12.647 -11.302 1.00 4.44 H new ATOM 0 HG22 VAL A 67 18.045 -12.924 -10.015 1.00 4.44 H new ATOM 0 HG23 VAL A 67 17.172 -11.375 -10.100 1.00 4.44 H new ATOM 1041 N ASP A 68 19.975 -9.302 -8.961 1.00 2.69 N ATOM 1042 CA ASP A 68 19.545 -8.180 -8.133 1.00 2.47 C ATOM 1043 C ASP A 68 18.199 -8.470 -7.472 1.00 1.74 C ATOM 1044 O ASP A 68 17.145 -8.128 -8.010 1.00 2.03 O ATOM 1045 CB ASP A 68 19.452 -6.901 -8.969 1.00 3.50 C ATOM 1046 CG ASP A 68 20.772 -6.540 -9.623 1.00 4.42 C ATOM 1047 OD1 ASP A 68 21.022 -7.007 -10.754 1.00 4.69 O ATOM 1048 OD2 ASP A 68 21.556 -5.790 -9.003 1.00 5.19 O ATOM 0 H ASP A 68 20.877 -9.696 -8.695 1.00 2.69 H new ATOM 0 HA ASP A 68 20.290 -8.038 -7.350 1.00 2.47 H new ATOM 0 HB2 ASP A 68 18.691 -7.028 -9.739 1.00 3.50 H new ATOM 0 HB3 ASP A 68 19.128 -6.077 -8.333 1.00 3.50 H new ATOM 1053 N GLY A 69 18.244 -9.101 -6.301 1.00 1.09 N ATOM 1054 CA GLY A 69 17.023 -9.424 -5.584 1.00 0.76 C ATOM 1055 C GLY A 69 16.578 -8.304 -4.666 1.00 0.68 C ATOM 1056 O GLY A 69 15.988 -8.551 -3.613 1.00 0.66 O ATOM 0 H GLY A 69 19.104 -9.394 -5.837 1.00 1.09 H new ATOM 0 HA2 GLY A 69 16.230 -9.639 -6.301 1.00 0.76 H new ATOM 0 HA3 GLY A 69 17.178 -10.330 -4.998 1.00 0.76 H new ATOM 1060 N LYS A 70 16.859 -7.069 -5.067 1.00 0.67 N ATOM 1061 CA LYS A 70 16.488 -5.899 -4.278 1.00 0.60 C ATOM 1062 C LYS A 70 14.975 -5.823 -4.103 1.00 0.51 C ATOM 1063 O LYS A 70 14.218 -6.144 -5.019 1.00 0.50 O ATOM 1064 CB LYS A 70 16.998 -4.625 -4.954 1.00 0.66 C ATOM 1065 CG LYS A 70 18.498 -4.625 -5.223 1.00 0.76 C ATOM 1066 CD LYS A 70 19.305 -4.480 -3.941 1.00 1.25 C ATOM 1067 CE LYS A 70 19.703 -5.832 -3.370 1.00 1.58 C ATOM 1068 NZ LYS A 70 20.499 -5.694 -2.119 1.00 2.43 N ATOM 0 H LYS A 70 17.344 -6.851 -5.937 1.00 0.67 H new ATOM 0 HA LYS A 70 16.947 -5.991 -3.294 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.470 -4.490 -5.898 1.00 0.66 H new ATOM 0 HB3 LYS A 70 16.752 -3.769 -4.326 1.00 0.66 H new ATOM 0 HG2 LYS A 70 18.777 -5.552 -5.724 1.00 0.76 H new ATOM 0 HG3 LYS A 70 18.745 -3.809 -5.902 1.00 0.76 H new ATOM 0 HD2 LYS A 70 20.200 -3.891 -4.140 1.00 1.25 H new ATOM 0 HD3 LYS A 70 18.720 -3.931 -3.203 1.00 1.25 H new ATOM 0 HE2 LYS A 70 18.807 -6.418 -3.167 1.00 1.58 H new ATOM 0 HE3 LYS A 70 20.283 -6.382 -4.111 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 21.471 -6.024 -2.288 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 20.518 -4.696 -1.828 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 20.065 -6.265 -1.366 1.00 2.43 H new ATOM 1082 N MET A 71 14.540 -5.397 -2.919 1.00 0.45 N ATOM 1083 CA MET A 71 13.114 -5.280 -2.629 1.00 0.36 C ATOM 1084 C MET A 71 12.532 -4.020 -3.264 1.00 0.33 C ATOM 1085 O MET A 71 13.087 -2.930 -3.129 1.00 0.36 O ATOM 1086 CB MET A 71 12.873 -5.270 -1.117 1.00 0.35 C ATOM 1087 CG MET A 71 13.585 -4.142 -0.388 1.00 0.39 C ATOM 1088 SD MET A 71 13.261 -4.152 1.388 1.00 0.40 S ATOM 1089 CE MET A 71 14.200 -2.721 1.914 1.00 0.47 C ATOM 0 H MET A 71 15.152 -5.128 -2.148 1.00 0.45 H new ATOM 0 HA MET A 71 12.610 -6.146 -3.058 1.00 0.36 H new ATOM 0 HB2 MET A 71 11.802 -5.191 -0.930 1.00 0.35 H new ATOM 0 HB3 MET A 71 13.200 -6.223 -0.700 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.658 -4.224 -0.558 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.268 -3.187 -0.806 1.00 0.39 H new ATOM 0 HE1 MET A 71 14.098 -2.595 2.992 1.00 0.47 H new ATOM 0 HE2 MET A 71 15.251 -2.863 1.663 1.00 0.47 H new ATOM 0 HE3 MET A 71 13.823 -1.832 1.408 1.00 0.47 H new ATOM 1099 N LEU A 72 11.410 -4.180 -3.958 1.00 0.30 N ATOM 1100 CA LEU A 72 10.750 -3.058 -4.620 1.00 0.29 C ATOM 1101 C LEU A 72 9.652 -2.471 -3.739 1.00 0.28 C ATOM 1102 O LEU A 72 8.810 -3.200 -3.213 1.00 0.33 O ATOM 1103 CB LEU A 72 10.156 -3.506 -5.958 1.00 0.29 C ATOM 1104 CG LEU A 72 11.169 -3.998 -6.994 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.453 -4.545 -8.218 1.00 0.34 C ATOM 1106 CD2 LEU A 72 12.119 -2.875 -7.390 1.00 0.34 C ATOM 0 H LEU A 72 10.938 -5.076 -4.077 1.00 0.30 H new ATOM 0 HA LEU A 72 11.499 -2.286 -4.799 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.439 -4.305 -5.769 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.599 -2.672 -6.386 1.00 0.29 H new ATOM 0 HG LEU A 72 11.755 -4.802 -6.548 1.00 0.32 H new ATOM 0 HD11 LEU A 72 11.188 -4.891 -8.945 1.00 0.34 H new ATOM 0 HD12 LEU A 72 9.814 -5.378 -7.924 1.00 0.34 H new ATOM 0 HD13 LEU A 72 9.843 -3.759 -8.664 1.00 0.34 H new ATOM 0 HD21 LEU A 72 12.832 -3.244 -8.127 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.549 -2.050 -7.818 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.657 -2.526 -6.509 1.00 0.34 H new ATOM 1118 N MET A 73 9.664 -1.151 -3.581 1.00 0.26 N ATOM 1119 CA MET A 73 8.661 -0.469 -2.772 1.00 0.26 C ATOM 1120 C MET A 73 7.513 0.021 -3.644 1.00 0.21 C ATOM 1121 O MET A 73 7.616 0.033 -4.873 1.00 0.20 O ATOM 1122 CB MET A 73 9.283 0.712 -2.023 1.00 0.30 C ATOM 1123 CG MET A 73 10.434 0.321 -1.111 1.00 0.36 C ATOM 1124 SD MET A 73 11.961 0.010 -2.016 1.00 1.17 S ATOM 1125 CE MET A 73 12.277 1.635 -2.704 1.00 0.80 C ATOM 0 H MET A 73 10.357 -0.533 -4.003 1.00 0.26 H new ATOM 0 HA MET A 73 8.273 -1.182 -2.045 1.00 0.26 H new ATOM 0 HB2 MET A 73 9.639 1.444 -2.748 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.511 1.201 -1.429 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.602 1.115 -0.384 1.00 0.36 H new ATOM 0 HG3 MET A 73 10.160 -0.572 -0.550 1.00 0.36 H new ATOM 0 HE1 MET A 73 13.346 1.753 -2.883 1.00 0.80 H new ATOM 0 HE2 MET A 73 11.738 1.743 -3.645 1.00 0.80 H new ATOM 0 HE3 MET A 73 11.940 2.399 -2.003 1.00 0.80 H new ATOM 1135 N VAL A 74 6.422 0.430 -3.006 1.00 0.20 N ATOM 1136 CA VAL A 74 5.254 0.916 -3.728 1.00 0.16 C ATOM 1137 C VAL A 74 4.539 2.018 -2.955 1.00 0.17 C ATOM 1138 O VAL A 74 4.444 1.973 -1.726 1.00 0.24 O ATOM 1139 CB VAL A 74 4.245 -0.219 -4.020 1.00 0.18 C ATOM 1140 CG1 VAL A 74 3.708 -0.815 -2.729 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.105 0.290 -4.885 1.00 0.14 C ATOM 0 H VAL A 74 6.323 0.434 -1.991 1.00 0.20 H new ATOM 0 HA VAL A 74 5.625 1.316 -4.672 1.00 0.16 H new ATOM 0 HB VAL A 74 4.769 -1.005 -4.564 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.001 -1.611 -2.962 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.533 -1.223 -2.145 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.204 -0.039 -2.152 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.405 -0.523 -5.080 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.588 1.098 -4.367 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.503 0.661 -5.830 1.00 0.14 H new ATOM 1151 N THR A 75 4.053 3.014 -3.687 1.00 0.12 N ATOM 1152 CA THR A 75 3.320 4.119 -3.089 1.00 0.12 C ATOM 1153 C THR A 75 1.903 4.149 -3.642 1.00 0.11 C ATOM 1154 O THR A 75 1.698 4.046 -4.853 1.00 0.11 O ATOM 1155 CB THR A 75 3.999 5.474 -3.360 1.00 0.16 C ATOM 1156 OG1 THR A 75 4.080 5.714 -4.769 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.393 5.510 -2.750 1.00 0.18 C ATOM 0 H THR A 75 4.155 3.077 -4.700 1.00 0.12 H new ATOM 0 HA THR A 75 3.305 3.960 -2.011 1.00 0.12 H new ATOM 0 HB THR A 75 3.396 6.256 -2.898 1.00 0.16 H new ATOM 0 HG1 THR A 75 4.596 6.531 -4.933 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.854 6.476 -2.954 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.323 5.361 -1.672 1.00 0.18 H new ATOM 0 HG23 THR A 75 6.002 4.718 -3.187 1.00 0.18 H new ATOM 1165 N LEU A 76 0.929 4.289 -2.751 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.470 4.312 -3.153 1.00 0.14 C ATOM 1167 C LEU A 76 -1.067 5.702 -2.956 1.00 0.14 C ATOM 1168 O LEU A 76 -1.236 6.162 -1.826 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.259 3.269 -2.355 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.482 1.988 -2.011 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.370 0.993 -1.279 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.091 1.347 -3.264 1.00 0.16 C ATOM 0 H LEU A 76 1.083 4.388 -1.748 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.533 4.066 -4.213 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.603 3.727 -1.428 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -2.148 2.995 -2.924 1.00 0.18 H new ATOM 0 HG LEU A 76 0.342 2.269 -1.355 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.797 0.096 -1.047 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.733 1.441 -0.354 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -2.218 0.729 -1.911 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.636 0.443 -2.993 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.720 1.091 -3.946 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.769 2.046 -3.753 1.00 0.16 H new ATOM 1184 N SER A 77 -1.384 6.364 -4.064 1.00 0.20 N ATOM 1185 CA SER A 77 -1.954 7.706 -4.024 1.00 0.23 C ATOM 1186 C SER A 77 -3.388 7.710 -4.556 1.00 0.23 C ATOM 1187 O SER A 77 -3.610 7.861 -5.758 1.00 0.19 O ATOM 1188 CB SER A 77 -1.094 8.670 -4.845 1.00 0.26 C ATOM 1189 OG SER A 77 -1.628 9.983 -4.818 1.00 0.29 O ATOM 0 H SER A 77 -1.255 5.991 -5.005 1.00 0.20 H new ATOM 0 HA SER A 77 -1.971 8.034 -2.985 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.077 8.680 -4.452 1.00 0.26 H new ATOM 0 HB3 SER A 77 -1.034 8.320 -5.876 1.00 0.26 H new ATOM 0 HG SER A 77 -2.417 10.027 -5.397 1.00 0.29 H new ATOM 1195 N PRO A 78 -4.383 7.537 -3.667 1.00 0.30 N ATOM 1196 CA PRO A 78 -5.796 7.529 -4.056 1.00 0.33 C ATOM 1197 C PRO A 78 -6.319 8.933 -4.321 1.00 0.34 C ATOM 1198 O PRO A 78 -7.447 9.114 -4.782 1.00 0.41 O ATOM 1199 CB PRO A 78 -6.484 6.924 -2.834 1.00 0.39 C ATOM 1200 CG PRO A 78 -5.625 7.332 -1.690 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.213 7.332 -2.213 1.00 0.37 C ATOM 0 HA PRO A 78 -5.972 6.978 -4.980 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -7.501 7.301 -2.722 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -6.553 5.839 -2.913 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -5.906 8.319 -1.324 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -5.732 6.640 -0.855 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -3.618 8.127 -1.763 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -3.705 6.392 -1.997 1.00 0.37 H new ATOM 1209 N THR A 79 -5.488 9.925 -4.024 1.00 0.34 N ATOM 1210 CA THR A 79 -5.851 11.322 -4.219 1.00 0.37 C ATOM 1211 C THR A 79 -4.756 12.064 -4.978 1.00 0.36 C ATOM 1212 O THR A 79 -3.989 11.457 -5.726 1.00 0.32 O ATOM 1213 CB THR A 79 -6.094 12.023 -2.872 1.00 0.44 C ATOM 1214 OG1 THR A 79 -4.851 12.179 -2.180 1.00 0.52 O ATOM 1215 CG2 THR A 79 -7.060 11.225 -2.011 1.00 0.51 C ATOM 0 H THR A 79 -4.552 9.785 -3.644 1.00 0.34 H new ATOM 0 HA THR A 79 -6.772 11.341 -4.802 1.00 0.37 H new ATOM 0 HB THR A 79 -6.533 13.001 -3.067 1.00 0.44 H new ATOM 0 HG1 THR A 79 -4.381 11.320 -2.154 1.00 0.52 H new ATOM 0 HG21 THR A 79 -7.215 11.742 -1.064 1.00 0.51 H new ATOM 0 HG22 THR A 79 -8.013 11.125 -2.530 1.00 0.51 H new ATOM 0 HG23 THR A 79 -6.645 10.235 -1.820 1.00 0.51 H new ATOM 1223 N LYS A 80 -4.687 13.377 -4.784 1.00 0.41 N ATOM 1224 CA LYS A 80 -3.685 14.195 -5.456 1.00 0.43 C ATOM 1225 C LYS A 80 -2.393 14.291 -4.641 1.00 0.43 C ATOM 1226 O LYS A 80 -1.421 13.592 -4.924 1.00 0.47 O ATOM 1227 CB LYS A 80 -4.241 15.597 -5.727 1.00 0.46 C ATOM 1228 CG LYS A 80 -5.654 15.601 -6.290 1.00 0.44 C ATOM 1229 CD LYS A 80 -5.772 14.721 -7.524 1.00 0.43 C ATOM 1230 CE LYS A 80 -7.175 14.768 -8.109 1.00 1.19 C ATOM 1231 NZ LYS A 80 -7.294 13.937 -9.338 1.00 2.08 N ATOM 0 H LYS A 80 -5.312 13.896 -4.168 1.00 0.41 H new ATOM 0 HA LYS A 80 -3.446 13.712 -6.403 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -4.229 16.168 -4.799 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -3.580 16.110 -6.426 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -6.350 15.253 -5.527 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -5.942 16.622 -6.542 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -5.052 15.047 -8.275 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -5.519 13.693 -7.265 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -7.890 14.419 -7.364 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -7.436 15.800 -8.342 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -8.265 13.997 -9.705 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -6.630 14.286 -10.058 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -7.070 12.947 -9.111 1.00 2.08 H new ATOM 1245 N ASP A 81 -2.390 15.158 -3.631 1.00 0.41 N ATOM 1246 CA ASP A 81 -1.207 15.360 -2.796 1.00 0.43 C ATOM 1247 C ASP A 81 -1.185 14.440 -1.575 1.00 0.43 C ATOM 1248 O ASP A 81 -0.130 14.217 -0.984 1.00 0.61 O ATOM 1249 CB ASP A 81 -1.130 16.819 -2.340 1.00 0.42 C ATOM 1250 CG ASP A 81 -1.077 17.786 -3.507 1.00 0.44 C ATOM 1251 OD1 ASP A 81 0.017 17.960 -4.084 1.00 0.48 O ATOM 1252 OD2 ASP A 81 -2.129 18.369 -3.843 1.00 0.44 O ATOM 0 H ASP A 81 -3.192 15.732 -3.371 1.00 0.41 H new ATOM 0 HA ASP A 81 -0.340 15.111 -3.408 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -1.996 17.049 -1.720 1.00 0.42 H new ATOM 0 HB3 ASP A 81 -0.246 16.956 -1.717 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.344 13.909 -1.195 1.00 0.31 N ATOM 1258 CA PHE A 82 -2.424 13.032 -0.028 1.00 0.30 C ATOM 1259 C PHE A 82 -1.971 11.614 -0.366 1.00 0.27 C ATOM 1260 O PHE A 82 -2.493 10.984 -1.284 1.00 0.32 O ATOM 1261 CB PHE A 82 -3.850 13.002 0.531 1.00 0.31 C ATOM 1262 CG PHE A 82 -4.402 14.360 0.857 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -5.012 15.128 -0.123 1.00 0.43 C ATOM 1264 CD2 PHE A 82 -4.316 14.866 2.143 1.00 0.34 C ATOM 1265 CE1 PHE A 82 -5.524 16.376 0.175 1.00 0.47 C ATOM 1266 CE2 PHE A 82 -4.827 16.114 2.448 1.00 0.39 C ATOM 1267 CZ PHE A 82 -5.431 16.870 1.461 1.00 0.44 C ATOM 0 H PHE A 82 -3.232 14.067 -1.671 1.00 0.31 H new ATOM 0 HA PHE A 82 -1.753 13.436 0.730 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -4.504 12.519 -0.194 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -3.864 12.388 1.432 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -5.088 14.746 -1.130 1.00 0.43 H new ATOM 0 HD2 PHE A 82 -3.844 14.279 2.917 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -5.997 16.965 -0.597 1.00 0.47 H new ATOM 0 HE2 PHE A 82 -4.754 16.497 3.455 1.00 0.39 H new ATOM 0 HZ PHE A 82 -5.830 17.846 1.695 1.00 0.44 H new ATOM 1277 N TRP A 83 -0.992 11.121 0.391 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.464 9.775 0.190 1.00 0.20 C ATOM 1279 C TRP A 83 -0.807 8.881 1.378 1.00 0.19 C ATOM 1280 O TRP A 83 -1.221 9.365 2.432 1.00 0.22 O ATOM 1281 CB TRP A 83 1.055 9.817 -0.004 1.00 0.21 C ATOM 1282 CG TRP A 83 1.475 10.403 -1.317 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.359 9.823 -2.548 1.00 0.25 C ATOM 1284 CD2 TRP A 83 2.090 11.679 -1.532 1.00 0.27 C ATOM 1285 NE1 TRP A 83 1.855 10.663 -3.515 1.00 0.31 N ATOM 1286 CE2 TRP A 83 2.311 11.809 -2.917 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.472 12.726 -0.688 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 2.897 12.943 -3.475 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 3.054 13.852 -1.246 1.00 0.38 C ATOM 1290 CH2 TRP A 83 3.261 13.951 -2.628 1.00 0.41 C ATOM 0 H TRP A 83 -0.548 11.636 1.151 1.00 0.22 H new ATOM 0 HA TRP A 83 -0.924 9.362 -0.707 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.500 10.399 0.803 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.451 8.805 0.076 1.00 0.21 H new ATOM 0 HD1 TRP A 83 0.938 8.846 -2.734 1.00 0.25 H new ATOM 0 HE1 TRP A 83 1.880 10.466 -4.515 1.00 0.31 H new ATOM 0 HE3 TRP A 83 2.316 12.658 0.379 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 3.058 13.022 -4.540 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 3.353 14.668 -0.605 1.00 0.38 H new ATOM 0 HH2 TRP A 83 3.718 14.842 -3.032 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.632 7.574 1.203 1.00 0.16 N ATOM 1302 CA LEU A 84 -0.918 6.614 2.263 1.00 0.17 C ATOM 1303 C LEU A 84 0.204 6.584 3.296 1.00 0.17 C ATOM 1304 O LEU A 84 1.304 6.106 3.018 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.123 5.213 1.679 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.580 4.762 1.562 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.351 5.671 0.619 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.654 3.317 1.089 1.00 0.16 C ATOM 0 H LEU A 84 -0.293 7.156 0.336 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.835 6.932 2.759 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.669 5.180 0.689 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.586 4.496 2.300 1.00 0.19 H new ATOM 0 HG LEU A 84 -3.038 4.827 2.549 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.385 5.332 0.551 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -3.329 6.692 0.999 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -2.893 5.642 -0.370 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.698 3.013 1.011 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -2.177 3.229 0.113 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -2.141 2.674 1.803 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.085 7.098 4.488 1.00 0.23 N ATOM 1321 CA HIS A 85 0.893 7.123 5.568 1.00 0.24 C ATOM 1322 C HIS A 85 0.483 6.173 6.689 1.00 0.27 C ATOM 1323 O HIS A 85 -0.677 6.149 7.106 1.00 0.36 O ATOM 1324 CB HIS A 85 1.048 8.542 6.120 1.00 0.24 C ATOM 1325 CG HIS A 85 1.827 9.453 5.220 1.00 0.23 C ATOM 1326 ND1 HIS A 85 1.255 10.158 4.183 1.00 0.29 N ATOM 1327 CD2 HIS A 85 3.141 9.776 5.212 1.00 0.33 C ATOM 1328 CE1 HIS A 85 2.184 10.873 3.573 1.00 0.29 C ATOM 1329 NE2 HIS A 85 3.336 10.660 4.180 1.00 0.30 N ATOM 0 H HIS A 85 -0.990 7.503 4.729 1.00 0.23 H new ATOM 0 HA HIS A 85 1.850 6.795 5.163 1.00 0.24 H new ATOM 0 HB2 HIS A 85 0.059 8.968 6.287 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.542 8.494 7.090 1.00 0.24 H new ATOM 0 HD1 HIS A 85 0.268 10.132 3.926 1.00 0.29 H new ATOM 0 HD2 HIS A 85 3.896 9.407 5.891 1.00 0.33 H new ATOM 0 HE1 HIS A 85 2.027 11.521 2.723 1.00 0.29 H new ATOM 1338 N ALA A 86 1.444 5.392 7.168 1.00 0.27 N ATOM 1339 CA ALA A 86 1.193 4.434 8.236 1.00 0.31 C ATOM 1340 C ALA A 86 1.085 5.131 9.588 1.00 0.29 C ATOM 1341 O ALA A 86 1.977 5.880 9.986 1.00 0.47 O ATOM 1342 CB ALA A 86 2.296 3.386 8.268 1.00 0.47 C ATOM 0 H ALA A 86 2.407 5.404 6.832 1.00 0.27 H new ATOM 0 HA ALA A 86 0.241 3.943 8.035 1.00 0.31 H new ATOM 0 HB1 ALA A 86 2.099 2.675 9.070 1.00 0.47 H new ATOM 0 HB2 ALA A 86 2.325 2.859 7.314 1.00 0.47 H new ATOM 0 HB3 ALA A 86 3.255 3.873 8.443 1.00 0.47 H new ATOM 1348 N ASN A 87 -0.017 4.882 10.287 1.00 0.33 N ATOM 1349 CA ASN A 87 -0.249 5.483 11.596 1.00 0.43 C ATOM 1350 C ASN A 87 -0.237 4.421 12.689 1.00 0.46 C ATOM 1351 O ASN A 87 -1.259 3.792 12.969 1.00 0.53 O ATOM 1352 CB ASN A 87 -1.583 6.231 11.606 1.00 0.56 C ATOM 1353 CG ASN A 87 -1.634 7.341 10.575 1.00 1.09 C ATOM 1354 OD1 ASN A 87 -2.010 7.119 9.424 1.00 1.83 O ATOM 1355 ND2 ASN A 87 -1.256 8.547 10.986 1.00 1.83 N ATOM 0 H ASN A 87 -0.765 4.267 9.968 1.00 0.33 H new ATOM 0 HA ASN A 87 0.556 6.190 11.794 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -2.393 5.526 11.417 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -1.752 6.652 12.597 1.00 0.56 H new ATOM 0 HD21 ASN A 87 -1.270 9.334 10.338 1.00 1.83 H new ATOM 0 HD22 ASN A 87 -0.952 8.685 11.950 1.00 1.83 H new ATOM 1362 N ASN A 88 0.925 4.227 13.306 1.00 0.49 N ATOM 1363 CA ASN A 88 1.069 3.238 14.369 1.00 0.56 C ATOM 1364 C ASN A 88 0.236 3.623 15.589 1.00 0.60 C ATOM 1365 O ASN A 88 0.053 2.822 16.505 1.00 0.73 O ATOM 1366 CB ASN A 88 2.542 3.097 14.762 1.00 0.65 C ATOM 1367 CG ASN A 88 2.777 1.959 15.735 1.00 1.56 C ATOM 1368 OD1 ASN A 88 2.062 0.958 15.725 1.00 2.56 O ATOM 1369 ND2 ASN A 88 3.789 2.107 16.583 1.00 1.79 N ATOM 0 H ASN A 88 1.779 4.741 13.089 1.00 0.49 H new ATOM 0 HA ASN A 88 0.706 2.281 13.995 1.00 0.56 H new ATOM 0 HB2 ASN A 88 3.140 2.933 13.865 1.00 0.65 H new ATOM 0 HB3 ASN A 88 2.886 4.030 15.209 1.00 0.65 H new ATOM 0 HD21 ASN A 88 3.998 1.374 17.260 1.00 1.79 H new ATOM 0 HD22 ASN A 88 4.357 2.954 16.557 1.00 1.79 H new ATOM 1376 N LYS A 89 -0.265 4.857 15.593 1.00 0.56 N ATOM 1377 CA LYS A 89 -1.082 5.349 16.698 1.00 0.63 C ATOM 1378 C LYS A 89 -2.306 4.462 16.901 1.00 0.61 C ATOM 1379 O LYS A 89 -2.668 4.134 18.031 1.00 0.77 O ATOM 1380 CB LYS A 89 -1.523 6.789 16.433 1.00 0.72 C ATOM 1381 CG LYS A 89 -0.367 7.752 16.231 1.00 1.41 C ATOM 1382 CD LYS A 89 -0.855 9.185 16.126 1.00 1.89 C ATOM 1383 CE LYS A 89 0.299 10.159 15.963 1.00 2.63 C ATOM 1384 NZ LYS A 89 1.103 9.869 14.744 1.00 3.20 N ATOM 0 H LYS A 89 -0.119 5.533 14.843 1.00 0.56 H new ATOM 0 HA LYS A 89 -0.478 5.323 17.605 1.00 0.63 H new ATOM 0 HB2 LYS A 89 -2.159 6.808 15.548 1.00 0.72 H new ATOM 0 HB3 LYS A 89 -2.130 7.134 17.270 1.00 0.72 H new ATOM 0 HG2 LYS A 89 0.332 7.664 17.063 1.00 1.41 H new ATOM 0 HG3 LYS A 89 0.178 7.484 15.326 1.00 1.41 H new ATOM 0 HD2 LYS A 89 -1.533 9.278 15.277 1.00 1.89 H new ATOM 0 HD3 LYS A 89 -1.425 9.442 17.019 1.00 1.89 H new ATOM 0 HE2 LYS A 89 -0.089 11.176 15.908 1.00 2.63 H new ATOM 0 HE3 LYS A 89 0.942 10.110 16.842 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 1.735 10.671 14.546 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 1.670 9.011 14.898 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 0.466 9.723 13.935 1.00 3.20 H new ATOM 1398 N GLU A 90 -2.940 4.079 15.796 1.00 0.52 N ATOM 1399 CA GLU A 90 -4.121 3.226 15.846 1.00 0.55 C ATOM 1400 C GLU A 90 -3.897 1.945 15.051 1.00 0.41 C ATOM 1401 O GLU A 90 -4.836 1.191 14.791 1.00 0.42 O ATOM 1402 CB GLU A 90 -5.341 3.970 15.298 1.00 0.72 C ATOM 1403 CG GLU A 90 -5.674 5.242 16.062 1.00 0.91 C ATOM 1404 CD GLU A 90 -6.907 5.938 15.521 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -6.767 6.755 14.587 1.00 1.61 O ATOM 1406 OE2 GLU A 90 -8.013 5.669 16.034 1.00 1.04 O ATOM 0 H GLU A 90 -2.654 4.347 14.854 1.00 0.52 H new ATOM 0 HA GLU A 90 -4.303 2.963 16.888 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -5.163 4.221 14.252 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -6.204 3.304 15.324 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -5.829 5.000 17.114 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -4.825 5.924 16.013 1.00 0.91 H new ATOM 1413 N HIS A 91 -2.644 1.709 14.668 1.00 0.33 N ATOM 1414 CA HIS A 91 -2.285 0.521 13.900 1.00 0.29 C ATOM 1415 C HIS A 91 -3.078 0.457 12.599 1.00 0.29 C ATOM 1416 O HIS A 91 -3.519 -0.614 12.180 1.00 0.34 O ATOM 1417 CB HIS A 91 -2.523 -0.741 14.729 1.00 0.38 C ATOM 1418 CG HIS A 91 -1.752 -0.763 16.011 1.00 0.49 C ATOM 1419 ND1 HIS A 91 -2.266 -0.309 17.207 1.00 1.11 N ATOM 1420 CD2 HIS A 91 -0.493 -1.185 16.279 1.00 1.24 C ATOM 1421 CE1 HIS A 91 -1.357 -0.450 18.156 1.00 0.91 C ATOM 1422 NE2 HIS A 91 -0.273 -0.979 17.619 1.00 0.95 N ATOM 0 H HIS A 91 -1.860 2.327 14.878 1.00 0.33 H new ATOM 0 HA HIS A 91 -1.225 0.583 13.652 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -3.587 -0.825 14.952 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -2.251 -1.614 14.135 1.00 0.38 H new ATOM 0 HD2 HIS A 91 0.207 -1.605 15.572 1.00 1.24 H new ATOM 0 HE1 HIS A 91 -1.480 -0.179 19.194 1.00 0.91 H new ATOM 0 HE2 HIS A 91 0.589 -1.199 18.119 1.00 0.95 H new ATOM 1431 N SER A 92 -3.256 1.612 11.967 1.00 0.34 N ATOM 1432 CA SER A 92 -3.998 1.693 10.715 1.00 0.44 C ATOM 1433 C SER A 92 -3.353 2.696 9.764 1.00 0.35 C ATOM 1434 O SER A 92 -2.523 3.508 10.169 1.00 0.30 O ATOM 1435 CB SER A 92 -5.449 2.090 10.983 1.00 0.61 C ATOM 1436 OG SER A 92 -6.085 1.152 11.833 1.00 1.33 O ATOM 0 H SER A 92 -2.896 2.506 12.302 1.00 0.34 H new ATOM 0 HA SER A 92 -3.978 0.709 10.246 1.00 0.44 H new ATOM 0 HB2 SER A 92 -5.480 3.079 11.440 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.991 2.157 10.040 1.00 0.61 H new ATOM 0 HG SER A 92 -5.679 1.190 12.724 1.00 1.33 H new ATOM 1442 N VAL A 93 -3.746 2.631 8.495 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.213 3.530 7.478 1.00 0.33 C ATOM 1444 C VAL A 93 -4.193 4.658 7.178 1.00 0.29 C ATOM 1445 O VAL A 93 -5.398 4.431 7.060 1.00 0.31 O ATOM 1446 CB VAL A 93 -2.898 2.768 6.174 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -2.398 3.720 5.098 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -1.883 1.666 6.433 1.00 1.20 C ATOM 0 H VAL A 93 -4.434 1.963 8.147 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.290 3.955 7.873 1.00 0.33 H new ATOM 0 HB VAL A 93 -3.819 2.309 5.816 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -2.183 3.160 4.188 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -3.163 4.469 4.891 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -1.490 4.215 5.443 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -1.673 1.139 5.502 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -0.962 2.103 6.819 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -2.286 0.965 7.164 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.672 5.876 7.057 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.506 7.042 6.773 1.00 0.31 C ATOM 1460 C GLU A 94 -3.867 7.925 5.708 1.00 0.27 C ATOM 1461 O GLU A 94 -2.669 7.827 5.443 1.00 0.29 O ATOM 1462 CB GLU A 94 -4.734 7.854 8.049 1.00 0.39 C ATOM 1463 CG GLU A 94 -5.436 7.079 9.152 1.00 0.67 C ATOM 1464 CD GLU A 94 -5.674 7.918 10.392 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -4.757 8.002 11.236 1.00 2.41 O ATOM 1466 OE2 GLU A 94 -6.775 8.493 10.520 1.00 1.54 O ATOM 0 H GLU A 94 -2.677 6.082 7.151 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.465 6.686 6.397 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -3.772 8.206 8.421 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -5.325 8.737 7.806 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -6.391 6.708 8.780 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -4.837 6.208 9.417 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.675 8.788 5.101 1.00 0.31 N ATOM 1474 CA LEU A 95 -4.193 9.692 4.063 1.00 0.32 C ATOM 1475 C LEU A 95 -3.640 10.977 4.672 1.00 0.29 C ATOM 1476 O LEU A 95 -4.363 11.718 5.339 1.00 0.37 O ATOM 1477 CB LEU A 95 -5.318 10.027 3.078 1.00 0.44 C ATOM 1478 CG LEU A 95 -5.788 8.866 2.195 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -6.593 7.860 3.003 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.611 9.391 1.027 1.00 0.62 C ATOM 0 H LEU A 95 -5.669 8.880 5.311 1.00 0.31 H new ATOM 0 HA LEU A 95 -3.389 9.187 3.527 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -6.172 10.400 3.642 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -4.983 10.839 2.433 1.00 0.44 H new ATOM 0 HG LEU A 95 -4.907 8.357 1.803 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -6.915 7.046 2.354 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -5.974 7.460 3.806 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -7.468 8.352 3.429 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -6.938 8.556 0.408 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -7.482 9.925 1.407 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -6.002 10.069 0.429 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.357 11.237 4.436 1.00 0.25 N ATOM 1493 CA HIS A 96 -1.707 12.433 4.963 1.00 0.30 C ATOM 1494 C HIS A 96 -0.961 13.176 3.857 1.00 0.25 C ATOM 1495 O HIS A 96 -0.483 12.565 2.902 1.00 0.22 O ATOM 1496 CB HIS A 96 -0.740 12.056 6.087 1.00 0.39 C ATOM 1497 CG HIS A 96 -0.307 13.220 6.922 1.00 0.73 C ATOM 1498 ND1 HIS A 96 0.848 13.933 6.679 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -0.883 13.795 8.003 1.00 1.11 C ATOM 1500 CE1 HIS A 96 0.965 14.895 7.578 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -0.073 14.833 8.390 1.00 1.57 N ATOM 0 H HIS A 96 -1.747 10.635 3.883 1.00 0.25 H new ATOM 0 HA HIS A 96 -2.477 13.093 5.363 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -1.215 11.315 6.730 1.00 0.39 H new ATOM 0 HB3 HIS A 96 0.141 11.583 5.653 1.00 0.39 H new ATOM 0 HD1 HIS A 96 1.508 13.747 5.924 1.00 1.24 H new ATOM 0 HD2 HIS A 96 -1.807 13.493 8.473 1.00 1.11 H new ATOM 0 HE1 HIS A 96 1.772 15.610 7.638 1.00 1.64 H new ATOM 1510 N LYS A 97 -0.866 14.498 3.991 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.179 15.319 2.996 1.00 0.32 C ATOM 1512 C LYS A 97 1.095 15.932 3.570 1.00 0.34 C ATOM 1513 O LYS A 97 1.083 16.509 4.658 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.107 16.426 2.490 1.00 0.39 C ATOM 1515 CG LYS A 97 -0.500 17.273 1.380 1.00 0.42 C ATOM 1516 CD LYS A 97 -1.411 18.427 0.990 1.00 0.53 C ATOM 1517 CE LYS A 97 -1.469 19.488 2.080 1.00 1.29 C ATOM 1518 NZ LYS A 97 -0.133 20.090 2.339 1.00 2.10 N ATOM 0 H LYS A 97 -1.254 15.021 4.776 1.00 0.32 H new ATOM 0 HA LYS A 97 0.098 14.673 2.163 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.031 15.976 2.128 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -1.374 17.074 3.325 1.00 0.39 H new ATOM 0 HG2 LYS A 97 0.463 17.664 1.707 1.00 0.42 H new ATOM 0 HG3 LYS A 97 -0.311 16.648 0.507 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -1.054 18.876 0.063 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -2.415 18.049 0.795 1.00 0.53 H new ATOM 0 HE2 LYS A 97 -2.170 20.270 1.788 1.00 1.29 H new ATOM 0 HE3 LYS A 97 -1.852 19.044 2.999 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 -0.252 21.007 2.814 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 0.422 19.455 2.947 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 0.366 20.229 1.437 1.00 2.10 H new ATOM 1532 N CYS A 98 2.191 15.804 2.827 1.00 0.37 N ATOM 1533 CA CYS A 98 3.478 16.345 3.254 1.00 0.43 C ATOM 1534 C CYS A 98 4.202 16.996 2.083 1.00 0.40 C ATOM 1535 O CYS A 98 3.702 17.005 0.958 1.00 0.37 O ATOM 1536 CB CYS A 98 4.348 15.238 3.852 1.00 0.49 C ATOM 1537 SG CYS A 98 3.659 14.478 5.340 1.00 1.10 S ATOM 0 H CYS A 98 2.213 15.329 1.924 1.00 0.37 H new ATOM 0 HA CYS A 98 3.293 17.102 4.016 1.00 0.43 H new ATOM 0 HB2 CYS A 98 4.500 14.464 3.099 1.00 0.49 H new ATOM 0 HB3 CYS A 98 5.329 15.650 4.089 1.00 0.49 H new ATOM 0 HG CYS A 98 4.466 13.553 5.769 1.00 1.10 H new ATOM 1543 N GLU A 99 5.385 17.543 2.351 1.00 0.46 N ATOM 1544 CA GLU A 99 6.179 18.192 1.314 1.00 0.47 C ATOM 1545 C GLU A 99 6.559 17.196 0.224 1.00 0.42 C ATOM 1546 O GLU A 99 6.263 16.005 0.334 1.00 0.38 O ATOM 1547 CB GLU A 99 7.439 18.815 1.919 1.00 0.53 C ATOM 1548 CG GLU A 99 7.147 19.846 2.996 1.00 1.09 C ATOM 1549 CD GLU A 99 8.407 20.476 3.557 1.00 1.85 C ATOM 1550 OE1 GLU A 99 9.023 19.872 4.460 1.00 2.55 O ATOM 1551 OE2 GLU A 99 8.778 21.575 3.092 1.00 2.07 O ATOM 0 H GLU A 99 5.814 17.549 3.277 1.00 0.46 H new ATOM 0 HA GLU A 99 5.575 18.982 0.867 1.00 0.47 H new ATOM 0 HB2 GLU A 99 8.059 18.024 2.342 1.00 0.53 H new ATOM 0 HB3 GLU A 99 8.020 19.285 1.125 1.00 0.53 H new ATOM 0 HG2 GLU A 99 6.508 20.626 2.583 1.00 1.09 H new ATOM 0 HG3 GLU A 99 6.590 19.373 3.805 1.00 1.09 H new ATOM 1558 N LYS A 100 7.208 17.683 -0.829 1.00 0.45 N ATOM 1559 CA LYS A 100 7.618 16.820 -1.930 1.00 0.46 C ATOM 1560 C LYS A 100 8.462 15.641 -1.433 1.00 0.45 C ATOM 1561 O LYS A 100 8.173 14.492 -1.771 1.00 0.45 O ATOM 1562 CB LYS A 100 8.383 17.616 -2.994 1.00 0.52 C ATOM 1563 CG LYS A 100 9.066 16.744 -4.040 1.00 0.56 C ATOM 1564 CD LYS A 100 8.077 15.821 -4.736 1.00 0.60 C ATOM 1565 CE LYS A 100 8.757 14.975 -5.799 1.00 0.96 C ATOM 1566 NZ LYS A 100 9.450 15.813 -6.816 1.00 1.77 N ATOM 0 H LYS A 100 7.460 18.665 -0.943 1.00 0.45 H new ATOM 0 HA LYS A 100 6.713 16.417 -2.384 1.00 0.46 H new ATOM 0 HB2 LYS A 100 7.691 18.294 -3.495 1.00 0.52 H new ATOM 0 HB3 LYS A 100 9.135 18.234 -2.502 1.00 0.52 H new ATOM 0 HG2 LYS A 100 9.554 17.378 -4.780 1.00 0.56 H new ATOM 0 HG3 LYS A 100 9.846 16.149 -3.565 1.00 0.56 H new ATOM 0 HD2 LYS A 100 7.604 15.171 -4.000 1.00 0.60 H new ATOM 0 HD3 LYS A 100 7.285 16.414 -5.193 1.00 0.60 H new ATOM 0 HE2 LYS A 100 9.478 14.308 -5.326 1.00 0.96 H new ATOM 0 HE3 LYS A 100 8.016 14.346 -6.291 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 9.710 15.224 -7.633 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 8.816 16.576 -7.127 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 10.309 16.225 -6.399 1.00 1.77 H new ATOM 1580 N PRO A 101 9.518 15.896 -0.627 1.00 0.46 N ATOM 1581 CA PRO A 101 10.375 14.826 -0.103 1.00 0.48 C ATOM 1582 C PRO A 101 9.577 13.767 0.653 1.00 0.42 C ATOM 1583 O PRO A 101 9.320 13.907 1.849 1.00 0.45 O ATOM 1584 CB PRO A 101 11.328 15.556 0.849 1.00 0.55 C ATOM 1585 CG PRO A 101 11.342 16.964 0.366 1.00 0.64 C ATOM 1586 CD PRO A 101 9.963 17.227 -0.168 1.00 0.48 C ATOM 0 HA PRO A 101 10.885 14.288 -0.902 1.00 0.48 H new ATOM 0 HB2 PRO A 101 10.981 15.495 1.880 1.00 0.55 H new ATOM 0 HB3 PRO A 101 12.326 15.119 0.822 1.00 0.55 H new ATOM 0 HG2 PRO A 101 11.586 17.653 1.175 1.00 0.64 H new ATOM 0 HG3 PRO A 101 12.095 17.104 -0.410 1.00 0.64 H new ATOM 0 HD2 PRO A 101 9.303 17.629 0.601 1.00 0.48 H new ATOM 0 HD3 PRO A 101 9.978 17.950 -0.984 1.00 0.48 H new ATOM 1594 N LEU A 102 9.188 12.709 -0.051 1.00 0.40 N ATOM 1595 CA LEU A 102 8.419 11.627 0.556 1.00 0.36 C ATOM 1596 C LEU A 102 9.206 10.980 1.697 1.00 0.37 C ATOM 1597 O LEU A 102 10.402 10.723 1.560 1.00 0.45 O ATOM 1598 CB LEU A 102 8.069 10.569 -0.496 1.00 0.38 C ATOM 1599 CG LEU A 102 7.252 11.081 -1.685 1.00 0.41 C ATOM 1600 CD1 LEU A 102 7.111 9.994 -2.740 1.00 0.50 C ATOM 1601 CD2 LEU A 102 5.882 11.559 -1.226 1.00 0.45 C ATOM 0 H LEU A 102 9.392 12.577 -1.042 1.00 0.40 H new ATOM 0 HA LEU A 102 7.498 12.048 0.960 1.00 0.36 H new ATOM 0 HB2 LEU A 102 8.994 10.133 -0.872 1.00 0.38 H new ATOM 0 HB3 LEU A 102 7.512 9.767 -0.011 1.00 0.38 H new ATOM 0 HG LEU A 102 7.780 11.926 -2.127 1.00 0.41 H new ATOM 0 HD11 LEU A 102 6.528 10.374 -3.578 1.00 0.50 H new ATOM 0 HD12 LEU A 102 8.099 9.697 -3.091 1.00 0.50 H new ATOM 0 HD13 LEU A 102 6.605 9.131 -2.308 1.00 0.50 H new ATOM 0 HD21 LEU A 102 5.316 11.919 -2.085 1.00 0.45 H new ATOM 0 HD22 LEU A 102 5.346 10.733 -0.759 1.00 0.45 H new ATOM 0 HD23 LEU A 102 6.002 12.368 -0.505 1.00 0.45 H new ATOM 1613 N PRO A 103 8.547 10.712 2.842 1.00 0.37 N ATOM 1614 CA PRO A 103 9.202 10.097 3.999 1.00 0.40 C ATOM 1615 C PRO A 103 9.400 8.595 3.820 1.00 0.35 C ATOM 1616 O PRO A 103 8.793 7.977 2.945 1.00 0.30 O ATOM 1617 CB PRO A 103 8.223 10.375 5.136 1.00 0.47 C ATOM 1618 CG PRO A 103 6.890 10.403 4.476 1.00 0.46 C ATOM 1619 CD PRO A 103 7.118 10.982 3.104 1.00 0.42 C ATOM 0 HA PRO A 103 10.202 10.496 4.168 1.00 0.40 H new ATOM 0 HB2 PRO A 103 8.272 9.600 5.901 1.00 0.47 H new ATOM 0 HB3 PRO A 103 8.443 11.323 5.628 1.00 0.47 H new ATOM 0 HG2 PRO A 103 6.466 9.401 4.411 1.00 0.46 H new ATOM 0 HG3 PRO A 103 6.186 11.011 5.044 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.478 10.509 2.359 1.00 0.42 H new ATOM 0 HD3 PRO A 103 6.901 12.050 3.079 1.00 0.42 H new ATOM 1627 N ASP A 104 10.249 8.018 4.662 1.00 0.40 N ATOM 1628 CA ASP A 104 10.543 6.591 4.603 1.00 0.41 C ATOM 1629 C ASP A 104 9.316 5.760 4.967 1.00 0.41 C ATOM 1630 O ASP A 104 9.289 4.549 4.748 1.00 0.54 O ATOM 1631 CB ASP A 104 11.697 6.251 5.549 1.00 0.52 C ATOM 1632 CG ASP A 104 12.937 7.082 5.270 1.00 1.05 C ATOM 1633 OD1 ASP A 104 13.054 8.183 5.846 1.00 1.45 O ATOM 1634 OD2 ASP A 104 13.788 6.630 4.475 1.00 1.57 O ATOM 0 H ASP A 104 10.748 8.519 5.397 1.00 0.40 H new ATOM 0 HA ASP A 104 10.830 6.349 3.580 1.00 0.41 H new ATOM 0 HB2 ASP A 104 11.379 6.412 6.579 1.00 0.52 H new ATOM 0 HB3 ASP A 104 11.942 5.193 5.453 1.00 0.52 H new ATOM 1639 N GLN A 105 8.304 6.417 5.523 1.00 0.36 N ATOM 1640 CA GLN A 105 7.076 5.736 5.918 1.00 0.39 C ATOM 1641 C GLN A 105 6.032 5.814 4.806 1.00 0.34 C ATOM 1642 O GLN A 105 4.906 5.344 4.964 1.00 0.42 O ATOM 1643 CB GLN A 105 6.520 6.348 7.204 1.00 0.48 C ATOM 1644 CG GLN A 105 5.509 5.465 7.916 1.00 0.67 C ATOM 1645 CD GLN A 105 4.966 6.100 9.181 1.00 0.83 C ATOM 1646 OE1 GLN A 105 4.859 7.322 9.280 1.00 1.41 O ATOM 1647 NE2 GLN A 105 4.625 5.271 10.160 1.00 1.65 N ATOM 0 H GLN A 105 8.309 7.420 5.710 1.00 0.36 H new ATOM 0 HA GLN A 105 7.311 4.687 6.098 1.00 0.39 H new ATOM 0 HB2 GLN A 105 7.347 6.558 7.883 1.00 0.48 H new ATOM 0 HB3 GLN A 105 6.051 7.303 6.968 1.00 0.48 H new ATOM 0 HG2 GLN A 105 4.682 5.248 7.240 1.00 0.67 H new ATOM 0 HG3 GLN A 105 5.976 4.512 8.164 1.00 0.67 H new ATOM 0 HE21 GLN A 105 4.730 4.264 10.035 1.00 1.65 H new ATOM 0 HE22 GLN A 105 4.258 5.641 11.037 1.00 1.65 H new ATOM 1656 N ALA A 106 6.415 6.411 3.680 1.00 0.31 N ATOM 1657 CA ALA A 106 5.511 6.549 2.543 1.00 0.30 C ATOM 1658 C ALA A 106 5.744 5.448 1.515 1.00 0.31 C ATOM 1659 O ALA A 106 4.957 5.281 0.582 1.00 0.62 O ATOM 1660 CB ALA A 106 5.680 7.917 1.899 1.00 0.31 C ATOM 0 H ALA A 106 7.344 6.806 3.531 1.00 0.31 H new ATOM 0 HA ALA A 106 4.490 6.454 2.911 1.00 0.30 H new ATOM 0 HB1 ALA A 106 5.000 8.007 1.052 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.454 8.694 2.630 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.707 8.032 1.553 1.00 0.31 H new ATOM 1666 N PHE A 107 6.828 4.699 1.689 1.00 0.21 N ATOM 1667 CA PHE A 107 7.165 3.617 0.771 1.00 0.19 C ATOM 1668 C PHE A 107 6.889 2.255 1.401 1.00 0.18 C ATOM 1669 O PHE A 107 7.467 1.909 2.432 1.00 0.24 O ATOM 1670 CB PHE A 107 8.633 3.715 0.356 1.00 0.23 C ATOM 1671 CG PHE A 107 8.979 5.010 -0.319 1.00 0.19 C ATOM 1672 CD1 PHE A 107 9.312 6.130 0.429 1.00 0.26 C ATOM 1673 CD2 PHE A 107 8.971 5.112 -1.702 1.00 0.22 C ATOM 1674 CE1 PHE A 107 9.629 7.324 -0.188 1.00 0.27 C ATOM 1675 CE2 PHE A 107 9.289 6.304 -2.325 1.00 0.22 C ATOM 1676 CZ PHE A 107 9.617 7.408 -1.573 1.00 0.21 C ATOM 0 H PHE A 107 7.488 4.821 2.457 1.00 0.21 H new ATOM 0 HA PHE A 107 6.536 3.716 -0.114 1.00 0.19 H new ATOM 0 HB2 PHE A 107 9.261 3.596 1.239 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.868 2.890 -0.316 1.00 0.23 H new ATOM 0 HD1 PHE A 107 9.323 6.067 1.507 1.00 0.26 H new ATOM 0 HD2 PHE A 107 8.713 4.250 -2.299 1.00 0.22 H new ATOM 0 HE1 PHE A 107 9.885 8.189 0.405 1.00 0.27 H new ATOM 0 HE2 PHE A 107 9.280 6.369 -3.403 1.00 0.22 H new ATOM 0 HZ PHE A 107 9.865 8.339 -2.060 1.00 0.21 H new ATOM 1686 N PHE A 108 6.001 1.488 0.774 1.00 0.16 N ATOM 1687 CA PHE A 108 5.649 0.164 1.273 1.00 0.17 C ATOM 1688 C PHE A 108 6.264 -0.926 0.399 1.00 0.18 C ATOM 1689 O PHE A 108 5.983 -1.007 -0.792 1.00 0.27 O ATOM 1690 CB PHE A 108 4.127 0.003 1.313 1.00 0.17 C ATOM 1691 CG PHE A 108 3.443 0.989 2.215 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.268 0.711 3.562 1.00 0.26 C ATOM 1693 CD2 PHE A 108 2.975 2.194 1.719 1.00 0.27 C ATOM 1694 CE1 PHE A 108 2.639 1.617 4.394 1.00 0.30 C ATOM 1695 CE2 PHE A 108 2.345 3.104 2.547 1.00 0.32 C ATOM 1696 CZ PHE A 108 2.182 2.815 3.888 1.00 0.32 C ATOM 0 H PHE A 108 5.513 1.761 -0.079 1.00 0.16 H new ATOM 0 HA PHE A 108 6.047 0.063 2.283 1.00 0.17 H new ATOM 0 HB2 PHE A 108 3.732 0.112 0.303 1.00 0.17 H new ATOM 0 HB3 PHE A 108 3.885 -1.007 1.643 1.00 0.17 H new ATOM 0 HD1 PHE A 108 3.627 -0.224 3.965 1.00 0.26 H new ATOM 0 HD2 PHE A 108 3.104 2.426 0.672 1.00 0.27 H new ATOM 0 HE1 PHE A 108 2.505 1.387 5.441 1.00 0.30 H new ATOM 0 HE2 PHE A 108 1.981 4.039 2.147 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.697 3.527 4.539 1.00 0.32 H new ATOM 1706 N VAL A 109 7.099 -1.764 0.999 1.00 0.17 N ATOM 1707 CA VAL A 109 7.749 -2.844 0.267 1.00 0.18 C ATOM 1708 C VAL A 109 6.729 -3.883 -0.191 1.00 0.20 C ATOM 1709 O VAL A 109 6.162 -4.609 0.622 1.00 0.22 O ATOM 1710 CB VAL A 109 8.828 -3.534 1.120 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.599 -4.548 0.295 1.00 0.23 C ATOM 1712 CG2 VAL A 109 9.773 -2.505 1.716 1.00 0.21 C ATOM 0 H VAL A 109 7.342 -1.717 1.989 1.00 0.17 H new ATOM 0 HA VAL A 109 8.225 -2.396 -0.605 1.00 0.18 H new ATOM 0 HB VAL A 109 8.333 -4.062 1.935 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.356 -5.024 0.918 1.00 0.23 H new ATOM 0 HG12 VAL A 109 8.913 -5.306 -0.084 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.082 -4.044 -0.542 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.530 -3.010 2.316 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.258 -1.949 0.914 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.210 -1.816 2.346 1.00 0.21 H new ATOM 1722 N LEU A 110 6.505 -3.945 -1.498 1.00 0.24 N ATOM 1723 CA LEU A 110 5.544 -4.886 -2.069 1.00 0.27 C ATOM 1724 C LEU A 110 6.122 -6.299 -2.118 1.00 0.25 C ATOM 1725 O LEU A 110 7.260 -6.501 -2.543 1.00 0.30 O ATOM 1726 CB LEU A 110 5.139 -4.431 -3.476 1.00 0.35 C ATOM 1727 CG LEU A 110 3.757 -4.894 -3.948 1.00 0.48 C ATOM 1728 CD1 LEU A 110 3.319 -4.096 -5.167 1.00 0.89 C ATOM 1729 CD2 LEU A 110 3.766 -6.382 -4.268 1.00 1.01 C ATOM 0 H LEU A 110 6.975 -3.355 -2.184 1.00 0.24 H new ATOM 0 HA LEU A 110 4.661 -4.904 -1.430 1.00 0.27 H new ATOM 0 HB2 LEU A 110 5.169 -3.342 -3.509 1.00 0.35 H new ATOM 0 HB3 LEU A 110 5.885 -4.792 -4.184 1.00 0.35 H new ATOM 0 HG LEU A 110 3.045 -4.721 -3.141 1.00 0.48 H new ATOM 0 HD11 LEU A 110 2.335 -4.436 -5.491 1.00 0.89 H new ATOM 0 HD12 LEU A 110 3.270 -3.038 -4.911 1.00 0.89 H new ATOM 0 HD13 LEU A 110 4.037 -4.241 -5.974 1.00 0.89 H new ATOM 0 HD21 LEU A 110 2.774 -6.689 -4.601 1.00 1.01 H new ATOM 0 HD22 LEU A 110 4.491 -6.580 -5.057 1.00 1.01 H new ATOM 0 HD23 LEU A 110 4.039 -6.945 -3.375 1.00 1.01 H new ATOM 1741 N HIS A 111 5.329 -7.274 -1.679 1.00 0.24 N ATOM 1742 CA HIS A 111 5.756 -8.670 -1.677 1.00 0.26 C ATOM 1743 C HIS A 111 4.707 -9.561 -2.338 1.00 0.25 C ATOM 1744 O HIS A 111 3.516 -9.454 -2.047 1.00 0.26 O ATOM 1745 CB HIS A 111 6.010 -9.154 -0.248 1.00 0.27 C ATOM 1746 CG HIS A 111 7.124 -8.435 0.447 1.00 0.32 C ATOM 1747 ND1 HIS A 111 8.451 -8.779 0.299 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.102 -7.388 1.305 1.00 0.26 C ATOM 1749 CE1 HIS A 111 9.197 -7.977 1.039 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.403 -7.124 1.657 1.00 0.36 N ATOM 0 H HIS A 111 4.386 -7.122 -1.320 1.00 0.24 H new ATOM 0 HA HIS A 111 6.683 -8.734 -2.247 1.00 0.26 H new ATOM 0 HB2 HIS A 111 5.096 -9.035 0.333 1.00 0.27 H new ATOM 0 HB3 HIS A 111 6.237 -10.220 -0.271 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.225 -6.859 1.648 1.00 0.26 H new ATOM 0 HE1 HIS A 111 10.273 -8.014 1.123 1.00 0.55 H new ATOM 0 HE2 HIS A 111 8.706 -6.387 2.294 1.00 0.36 H new ATOM 1759 N ASN A 112 5.157 -10.442 -3.227 1.00 0.29 N ATOM 1760 CA ASN A 112 4.258 -11.359 -3.919 1.00 0.30 C ATOM 1761 C ASN A 112 3.866 -12.516 -3.007 1.00 0.29 C ATOM 1762 O ASN A 112 4.701 -13.055 -2.281 1.00 0.44 O ATOM 1763 CB ASN A 112 4.915 -11.898 -5.192 1.00 0.46 C ATOM 1764 CG ASN A 112 5.175 -10.811 -6.218 1.00 1.42 C ATOM 1765 OD1 ASN A 112 5.423 -9.657 -5.870 1.00 2.14 O ATOM 1766 ND2 ASN A 112 5.118 -11.177 -7.494 1.00 2.13 N ATOM 0 H ASN A 112 6.139 -10.540 -3.485 1.00 0.29 H new ATOM 0 HA ASN A 112 3.358 -10.808 -4.194 1.00 0.30 H new ATOM 0 HB2 ASN A 112 5.857 -12.382 -4.934 1.00 0.46 H new ATOM 0 HB3 ASN A 112 4.274 -12.662 -5.632 1.00 0.46 H new ATOM 0 HD21 ASN A 112 5.283 -10.490 -8.230 1.00 2.13 H new ATOM 0 HD22 ASN A 112 4.909 -12.145 -7.738 1.00 2.13 H new ATOM 1773 N MET A 113 2.592 -12.893 -3.047 1.00 0.28 N ATOM 1774 CA MET A 113 2.092 -13.983 -2.217 1.00 0.36 C ATOM 1775 C MET A 113 1.550 -15.121 -3.075 1.00 0.40 C ATOM 1776 O MET A 113 1.982 -16.267 -2.949 1.00 0.46 O ATOM 1777 CB MET A 113 0.999 -13.473 -1.278 1.00 0.43 C ATOM 1778 CG MET A 113 1.433 -12.287 -0.430 1.00 0.47 C ATOM 1779 SD MET A 113 2.840 -12.669 0.631 1.00 0.89 S ATOM 1780 CE MET A 113 2.137 -13.936 1.686 1.00 0.58 C ATOM 0 H MET A 113 1.888 -12.460 -3.645 1.00 0.28 H new ATOM 0 HA MET A 113 2.924 -14.366 -1.625 1.00 0.36 H new ATOM 0 HB2 MET A 113 0.128 -13.188 -1.868 1.00 0.43 H new ATOM 0 HB3 MET A 113 0.688 -14.285 -0.621 1.00 0.43 H new ATOM 0 HG2 MET A 113 1.691 -11.454 -1.083 1.00 0.47 H new ATOM 0 HG3 MET A 113 0.596 -11.961 0.187 1.00 0.47 H new ATOM 0 HE1 MET A 113 2.751 -14.047 2.580 1.00 0.58 H new ATOM 0 HE2 MET A 113 1.125 -13.650 1.974 1.00 0.58 H new ATOM 0 HE3 MET A 113 2.107 -14.883 1.147 1.00 0.58 H new ATOM 1790 N HIS A 114 0.602 -14.797 -3.950 1.00 0.45 N ATOM 1791 CA HIS A 114 -0.002 -15.794 -4.825 1.00 0.51 C ATOM 1792 C HIS A 114 0.016 -15.331 -6.279 1.00 0.47 C ATOM 1793 O HIS A 114 0.759 -14.418 -6.643 1.00 0.46 O ATOM 1794 CB HIS A 114 -1.439 -16.085 -4.387 1.00 0.54 C ATOM 1795 CG HIS A 114 -1.535 -16.712 -3.029 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -1.761 -18.058 -2.837 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -1.435 -16.168 -1.792 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -1.797 -18.317 -1.541 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -1.601 -17.186 -0.887 1.00 1.75 N ATOM 0 H HIS A 114 0.237 -13.852 -4.071 1.00 0.45 H new ATOM 0 HA HIS A 114 0.586 -16.708 -4.749 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -2.007 -15.155 -4.390 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -1.906 -16.746 -5.117 1.00 0.54 H new ATOM 0 HD2 HIS A 114 -1.258 -15.128 -1.562 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -1.959 -19.287 -1.094 1.00 1.40 H new ATOM 0 HE2 HIS A 114 -1.577 -17.086 0.128 1.00 1.75 H new ATOM 1808 N SER A 115 -0.807 -15.971 -7.104 1.00 0.49 N ATOM 1809 CA SER A 115 -0.887 -15.642 -8.523 1.00 0.54 C ATOM 1810 C SER A 115 -1.222 -14.169 -8.743 1.00 0.50 C ATOM 1811 O SER A 115 -0.480 -13.451 -9.413 1.00 0.56 O ATOM 1812 CB SER A 115 -1.938 -16.516 -9.208 1.00 0.59 C ATOM 1813 OG SER A 115 -2.047 -16.201 -10.585 1.00 1.50 O ATOM 0 H SER A 115 -1.431 -16.724 -6.812 1.00 0.49 H new ATOM 0 HA SER A 115 0.093 -15.835 -8.961 1.00 0.54 H new ATOM 0 HB2 SER A 115 -1.672 -17.567 -9.092 1.00 0.59 H new ATOM 0 HB3 SER A 115 -2.904 -16.376 -8.723 1.00 0.59 H new ATOM 0 HG SER A 115 -2.725 -16.775 -10.999 1.00 1.50 H new ATOM 1819 N ASN A 116 -2.342 -13.724 -8.178 1.00 0.45 N ATOM 1820 CA ASN A 116 -2.771 -12.337 -8.331 1.00 0.50 C ATOM 1821 C ASN A 116 -2.874 -11.629 -6.982 1.00 0.44 C ATOM 1822 O ASN A 116 -3.518 -10.587 -6.869 1.00 0.66 O ATOM 1823 CB ASN A 116 -4.120 -12.281 -9.051 1.00 0.61 C ATOM 1824 CG ASN A 116 -4.054 -12.866 -10.449 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -3.013 -12.821 -11.104 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -5.168 -13.419 -10.914 1.00 1.68 N ATOM 0 H ASN A 116 -2.966 -14.301 -7.613 1.00 0.45 H new ATOM 0 HA ASN A 116 -2.018 -11.820 -8.926 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -4.863 -12.824 -8.467 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -4.455 -11.245 -9.109 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -5.183 -13.828 -11.848 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -6.009 -13.435 -10.337 1.00 1.68 H new ATOM 1833 N CYS A 117 -2.234 -12.197 -5.964 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.258 -11.610 -4.627 1.00 0.32 C ATOM 1835 C CYS A 117 -0.961 -10.862 -4.336 1.00 0.28 C ATOM 1836 O CYS A 117 0.127 -11.345 -4.648 1.00 0.34 O ATOM 1837 CB CYS A 117 -2.482 -12.695 -3.574 1.00 0.43 C ATOM 1838 SG CYS A 117 -4.048 -13.582 -3.745 1.00 0.97 S ATOM 0 H CYS A 117 -1.694 -13.059 -6.038 1.00 0.32 H new ATOM 0 HA CYS A 117 -3.083 -10.898 -4.586 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -1.663 -13.412 -3.628 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -2.442 -12.239 -2.585 1.00 0.43 H new ATOM 0 HG CYS A 117 -3.974 -14.719 -3.118 1.00 0.97 H new ATOM 1844 N VAL A 118 -1.084 -9.681 -3.735 1.00 0.25 N ATOM 1845 CA VAL A 118 0.081 -8.867 -3.400 1.00 0.27 C ATOM 1846 C VAL A 118 0.014 -8.371 -1.956 1.00 0.24 C ATOM 1847 O VAL A 118 -1.063 -8.283 -1.370 1.00 0.28 O ATOM 1848 CB VAL A 118 0.212 -7.658 -4.346 1.00 0.37 C ATOM 1849 CG1 VAL A 118 0.441 -8.123 -5.776 1.00 0.46 C ATOM 1850 CG2 VAL A 118 -1.023 -6.771 -4.259 1.00 0.41 C ATOM 0 H VAL A 118 -1.978 -9.267 -3.470 1.00 0.25 H new ATOM 0 HA VAL A 118 0.957 -9.505 -3.517 1.00 0.27 H new ATOM 0 HB VAL A 118 1.075 -7.070 -4.034 1.00 0.37 H new ATOM 0 HG11 VAL A 118 0.531 -7.256 -6.430 1.00 0.46 H new ATOM 0 HG12 VAL A 118 1.357 -8.711 -5.825 1.00 0.46 H new ATOM 0 HG13 VAL A 118 -0.401 -8.735 -6.099 1.00 0.46 H new ATOM 0 HG21 VAL A 118 -0.910 -5.923 -4.935 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -1.905 -7.346 -4.542 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -1.139 -6.408 -3.238 1.00 0.41 H new ATOM 1860 N SER A 119 1.173 -8.049 -1.389 1.00 0.24 N ATOM 1861 CA SER A 119 1.246 -7.562 -0.015 1.00 0.23 C ATOM 1862 C SER A 119 2.008 -6.242 0.055 1.00 0.21 C ATOM 1863 O SER A 119 2.825 -5.942 -0.816 1.00 0.30 O ATOM 1864 CB SER A 119 1.920 -8.600 0.884 1.00 0.29 C ATOM 1865 OG SER A 119 1.933 -8.174 2.236 1.00 1.09 O ATOM 0 H SER A 119 2.075 -8.117 -1.860 1.00 0.24 H new ATOM 0 HA SER A 119 0.228 -7.394 0.337 1.00 0.23 H new ATOM 0 HB2 SER A 119 1.393 -9.551 0.804 1.00 0.29 H new ATOM 0 HB3 SER A 119 2.941 -8.772 0.544 1.00 0.29 H new ATOM 0 HG SER A 119 2.729 -8.529 2.683 1.00 1.09 H new ATOM 1871 N PHE A 120 1.738 -5.463 1.099 1.00 0.20 N ATOM 1872 CA PHE A 120 2.398 -4.174 1.283 1.00 0.18 C ATOM 1873 C PHE A 120 3.039 -4.082 2.665 1.00 0.18 C ATOM 1874 O PHE A 120 2.382 -3.731 3.645 1.00 0.27 O ATOM 1875 CB PHE A 120 1.392 -3.035 1.099 1.00 0.21 C ATOM 1876 CG PHE A 120 0.633 -3.105 -0.194 1.00 0.24 C ATOM 1877 CD1 PHE A 120 1.290 -2.946 -1.405 1.00 0.40 C ATOM 1878 CD2 PHE A 120 -0.734 -3.331 -0.203 1.00 0.28 C ATOM 1879 CE1 PHE A 120 0.596 -3.010 -2.599 1.00 0.45 C ATOM 1880 CE2 PHE A 120 -1.432 -3.396 -1.393 1.00 0.32 C ATOM 1881 CZ PHE A 120 -0.779 -3.231 -2.585 1.00 0.35 C ATOM 0 H PHE A 120 1.067 -5.702 1.830 1.00 0.20 H new ATOM 0 HA PHE A 120 3.183 -4.084 0.532 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.684 -3.050 1.927 1.00 0.21 H new ATOM 0 HB3 PHE A 120 1.921 -2.083 1.149 1.00 0.21 H new ATOM 0 HD1 PHE A 120 2.356 -2.770 -1.415 1.00 0.40 H new ATOM 0 HD2 PHE A 120 -1.260 -3.458 0.732 1.00 0.28 H new ATOM 0 HE1 PHE A 120 1.117 -2.889 -3.537 1.00 0.45 H new ATOM 0 HE2 PHE A 120 -2.497 -3.578 -1.383 1.00 0.32 H new ATOM 0 HZ PHE A 120 -1.329 -3.272 -3.513 1.00 0.35 H new ATOM 1891 N GLU A 121 4.329 -4.396 2.736 1.00 0.19 N ATOM 1892 CA GLU A 121 5.064 -4.351 3.995 1.00 0.19 C ATOM 1893 C GLU A 121 5.579 -2.945 4.280 1.00 0.19 C ATOM 1894 O GLU A 121 5.935 -2.205 3.363 1.00 0.19 O ATOM 1895 CB GLU A 121 6.236 -5.333 3.959 1.00 0.23 C ATOM 1896 CG GLU A 121 7.015 -5.402 5.264 1.00 0.29 C ATOM 1897 CD GLU A 121 8.177 -6.374 5.199 1.00 0.33 C ATOM 1898 OE1 GLU A 121 9.279 -5.956 4.783 1.00 0.35 O ATOM 1899 OE2 GLU A 121 7.986 -7.552 5.564 1.00 0.45 O ATOM 0 H GLU A 121 4.888 -4.685 1.933 1.00 0.19 H new ATOM 0 HA GLU A 121 4.379 -4.636 4.794 1.00 0.19 H new ATOM 0 HB2 GLU A 121 5.859 -6.327 3.718 1.00 0.23 H new ATOM 0 HB3 GLU A 121 6.915 -5.046 3.156 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.390 -4.409 5.512 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.343 -5.699 6.069 1.00 0.29 H new ATOM 1906 N CYS A 122 5.615 -2.582 5.560 1.00 0.22 N ATOM 1907 CA CYS A 122 6.094 -1.267 5.969 1.00 0.24 C ATOM 1908 C CYS A 122 7.617 -1.231 6.008 1.00 0.27 C ATOM 1909 O CYS A 122 8.256 -2.115 6.578 1.00 0.26 O ATOM 1910 CB CYS A 122 5.532 -0.906 7.345 1.00 0.27 C ATOM 1911 SG CYS A 122 3.726 -0.851 7.415 1.00 0.31 S ATOM 0 H CYS A 122 5.318 -3.181 6.330 1.00 0.22 H new ATOM 0 HA CYS A 122 5.749 -0.537 5.236 1.00 0.24 H new ATOM 0 HB2 CYS A 122 5.891 -1.633 8.074 1.00 0.27 H new ATOM 0 HB3 CYS A 122 5.926 0.066 7.643 1.00 0.27 H new ATOM 0 HG CYS A 122 3.353 -0.151 8.445 1.00 0.31 H new ATOM 1917 N LYS A 123 8.194 -0.200 5.396 1.00 0.34 N ATOM 1918 CA LYS A 123 9.644 -0.047 5.359 1.00 0.41 C ATOM 1919 C LYS A 123 10.174 0.444 6.704 1.00 0.43 C ATOM 1920 O LYS A 123 11.316 0.167 7.070 1.00 0.48 O ATOM 1921 CB LYS A 123 10.047 0.928 4.250 1.00 0.48 C ATOM 1922 CG LYS A 123 11.551 1.088 4.099 1.00 0.65 C ATOM 1923 CD LYS A 123 11.899 2.118 3.037 1.00 0.67 C ATOM 1924 CE LYS A 123 13.403 2.273 2.884 1.00 0.69 C ATOM 1925 NZ LYS A 123 14.045 2.729 4.149 1.00 1.39 N ATOM 0 H LYS A 123 7.679 0.541 4.920 1.00 0.34 H new ATOM 0 HA LYS A 123 10.083 -1.023 5.151 1.00 0.41 H new ATOM 0 HB2 LYS A 123 9.630 0.582 3.304 1.00 0.48 H new ATOM 0 HB3 LYS A 123 9.605 1.903 4.456 1.00 0.48 H new ATOM 0 HG2 LYS A 123 11.983 1.388 5.054 1.00 0.65 H new ATOM 0 HG3 LYS A 123 11.995 0.128 3.835 1.00 0.65 H new ATOM 0 HD2 LYS A 123 11.464 1.820 2.083 1.00 0.67 H new ATOM 0 HD3 LYS A 123 11.458 3.079 3.302 1.00 0.67 H new ATOM 0 HE2 LYS A 123 13.837 1.321 2.579 1.00 0.69 H new ATOM 0 HE3 LYS A 123 13.615 2.989 2.090 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 15.020 3.033 3.953 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 13.506 3.526 4.544 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 14.057 1.946 4.834 1.00 1.39 H new ATOM 1939 N THR A 124 9.336 1.174 7.433 1.00 0.43 N ATOM 1940 CA THR A 124 9.720 1.702 8.738 1.00 0.49 C ATOM 1941 C THR A 124 9.294 0.761 9.858 1.00 0.44 C ATOM 1942 O THR A 124 9.800 0.844 10.977 1.00 0.50 O ATOM 1943 CB THR A 124 9.107 3.092 8.987 1.00 0.59 C ATOM 1944 OG1 THR A 124 7.678 3.022 8.908 1.00 1.19 O ATOM 1945 CG2 THR A 124 9.627 4.103 7.976 1.00 0.88 C ATOM 0 H THR A 124 8.388 1.413 7.143 1.00 0.43 H new ATOM 0 HA THR A 124 10.806 1.790 8.735 1.00 0.49 H new ATOM 0 HB THR A 124 9.399 3.417 9.986 1.00 0.59 H new ATOM 0 HG1 THR A 124 7.328 2.570 9.704 1.00 1.19 H new ATOM 0 HG21 THR A 124 9.179 5.077 8.173 1.00 0.88 H new ATOM 0 HG22 THR A 124 10.711 4.178 8.061 1.00 0.88 H new ATOM 0 HG23 THR A 124 9.363 3.779 6.969 1.00 0.88 H new ATOM 1953 N ASP A 125 8.357 -0.132 9.553 1.00 0.39 N ATOM 1954 CA ASP A 125 7.863 -1.090 10.536 1.00 0.42 C ATOM 1955 C ASP A 125 7.891 -2.512 9.978 1.00 0.35 C ATOM 1956 O ASP A 125 6.854 -3.059 9.598 1.00 0.36 O ATOM 1957 CB ASP A 125 6.441 -0.723 10.968 1.00 0.52 C ATOM 1958 CG ASP A 125 6.380 0.609 11.687 1.00 0.64 C ATOM 1959 OD1 ASP A 125 6.208 1.643 11.007 1.00 0.65 O ATOM 1960 OD2 ASP A 125 6.504 0.620 12.929 1.00 0.78 O ATOM 0 H ASP A 125 7.925 -0.212 8.633 1.00 0.39 H new ATOM 0 HA ASP A 125 8.520 -1.051 11.405 1.00 0.42 H new ATOM 0 HB2 ASP A 125 5.795 -0.689 10.090 1.00 0.52 H new ATOM 0 HB3 ASP A 125 6.050 -1.503 11.621 1.00 0.52 H new ATOM 1965 N PRO A 126 9.086 -3.133 9.916 1.00 0.43 N ATOM 1966 CA PRO A 126 9.243 -4.497 9.400 1.00 0.46 C ATOM 1967 C PRO A 126 8.333 -5.494 10.112 1.00 0.45 C ATOM 1968 O PRO A 126 8.017 -5.326 11.291 1.00 0.56 O ATOM 1969 CB PRO A 126 10.712 -4.823 9.682 1.00 0.62 C ATOM 1970 CG PRO A 126 11.388 -3.497 9.761 1.00 0.89 C ATOM 1971 CD PRO A 126 10.374 -2.551 10.338 1.00 0.60 C ATOM 0 HA PRO A 126 8.974 -4.564 8.346 1.00 0.46 H new ATOM 0 HB2 PRO A 126 10.822 -5.379 10.613 1.00 0.62 H new ATOM 0 HB3 PRO A 126 11.140 -5.438 8.891 1.00 0.62 H new ATOM 0 HG2 PRO A 126 12.276 -3.549 10.390 1.00 0.89 H new ATOM 0 HG3 PRO A 126 11.714 -3.166 8.775 1.00 0.89 H new ATOM 0 HD2 PRO A 126 10.452 -2.492 11.424 1.00 0.60 H new ATOM 0 HD3 PRO A 126 10.503 -1.539 9.953 1.00 0.60 H new ATOM 1979 N GLY A 127 7.918 -6.529 9.390 1.00 0.40 N ATOM 1980 CA GLY A 127 7.051 -7.537 9.968 1.00 0.43 C ATOM 1981 C GLY A 127 5.595 -7.110 9.982 1.00 0.44 C ATOM 1982 O GLY A 127 4.741 -7.812 10.524 1.00 0.65 O ATOM 0 H GLY A 127 8.167 -6.687 8.414 1.00 0.40 H new ATOM 0 HA2 GLY A 127 7.149 -8.464 9.403 1.00 0.43 H new ATOM 0 HA3 GLY A 127 7.374 -7.749 10.987 1.00 0.43 H new ATOM 1986 N VAL A 128 5.313 -5.954 9.386 1.00 0.28 N ATOM 1987 CA VAL A 128 3.952 -5.434 9.333 1.00 0.32 C ATOM 1988 C VAL A 128 3.496 -5.250 7.889 1.00 0.21 C ATOM 1989 O VAL A 128 4.233 -4.717 7.059 1.00 0.16 O ATOM 1990 CB VAL A 128 3.833 -4.090 10.077 1.00 0.42 C ATOM 1991 CG1 VAL A 128 2.377 -3.674 10.195 1.00 0.93 C ATOM 1992 CG2 VAL A 128 4.486 -4.179 11.448 1.00 1.27 C ATOM 0 H VAL A 128 6.009 -5.361 8.934 1.00 0.28 H new ATOM 0 HA VAL A 128 3.311 -6.166 9.825 1.00 0.32 H new ATOM 0 HB VAL A 128 4.358 -3.328 9.501 1.00 0.42 H new ATOM 0 HG11 VAL A 128 2.312 -2.723 10.723 1.00 0.93 H new ATOM 0 HG12 VAL A 128 1.948 -3.566 9.199 1.00 0.93 H new ATOM 0 HG13 VAL A 128 1.825 -4.434 10.748 1.00 0.93 H new ATOM 0 HG21 VAL A 128 4.392 -3.221 11.959 1.00 1.27 H new ATOM 0 HG22 VAL A 128 3.993 -4.953 12.036 1.00 1.27 H new ATOM 0 HG23 VAL A 128 5.541 -4.427 11.333 1.00 1.27 H new ATOM 2002 N PHE A 129 2.275 -5.692 7.598 1.00 0.23 N ATOM 2003 CA PHE A 129 1.722 -5.583 6.252 1.00 0.19 C ATOM 2004 C PHE A 129 0.324 -4.974 6.284 1.00 0.16 C ATOM 2005 O PHE A 129 -0.430 -5.177 7.236 1.00 0.18 O ATOM 2006 CB PHE A 129 1.657 -6.965 5.593 1.00 0.29 C ATOM 2007 CG PHE A 129 2.930 -7.758 5.701 1.00 0.26 C ATOM 2008 CD1 PHE A 129 3.232 -8.452 6.862 1.00 0.49 C ATOM 2009 CD2 PHE A 129 3.820 -7.812 4.642 1.00 0.30 C ATOM 2010 CE1 PHE A 129 4.400 -9.184 6.963 1.00 0.58 C ATOM 2011 CE2 PHE A 129 4.989 -8.544 4.738 1.00 0.38 C ATOM 2012 CZ PHE A 129 5.279 -9.231 5.900 1.00 0.46 C ATOM 0 H PHE A 129 1.651 -6.129 8.276 1.00 0.23 H new ATOM 0 HA PHE A 129 2.376 -4.932 5.673 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.847 -7.535 6.048 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.407 -6.842 4.539 1.00 0.29 H new ATOM 0 HD1 PHE A 129 2.547 -8.420 7.697 1.00 0.49 H new ATOM 0 HD2 PHE A 129 3.599 -7.276 3.731 1.00 0.30 H new ATOM 0 HE1 PHE A 129 4.625 -9.719 7.874 1.00 0.58 H new ATOM 0 HE2 PHE A 129 5.675 -8.578 3.905 1.00 0.38 H new ATOM 0 HZ PHE A 129 6.191 -9.804 5.977 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.017 -4.222 5.240 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.335 -3.604 5.149 1.00 0.16 C ATOM 2024 C ILE A 130 -2.399 -4.676 4.958 1.00 0.18 C ATOM 2025 O ILE A 130 -2.148 -5.696 4.317 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.423 -2.602 3.977 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.293 -1.569 4.064 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.780 -1.910 3.977 1.00 0.25 C ATOM 2029 CD1 ILE A 130 -0.284 -0.577 2.917 1.00 0.25 C ATOM 0 H ILE A 130 0.598 -4.027 4.450 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.502 -3.062 6.080 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.312 -3.151 3.042 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.383 -1.024 5.004 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.663 -2.091 4.089 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -2.830 -1.206 3.146 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.568 -2.655 3.869 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -2.915 -1.373 4.916 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.542 0.122 3.047 1.00 0.25 H new ATOM 0 HD12 ILE A 130 -0.163 -1.111 1.975 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -1.225 -0.027 2.904 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.585 -4.453 5.516 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.648 -5.428 5.377 1.00 0.20 C ATOM 2043 C GLY A 131 -5.964 -4.959 5.960 1.00 0.16 C ATOM 2044 O GLY A 131 -5.990 -4.149 6.886 1.00 0.19 O ATOM 0 H GLY A 131 -3.826 -3.622 6.057 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -4.787 -5.657 4.320 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.350 -6.354 5.868 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.058 -5.476 5.414 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.392 -5.118 5.877 1.00 0.16 C ATOM 2050 C VAL A 132 -8.673 -5.733 7.244 1.00 0.17 C ATOM 2051 O VAL A 132 -8.855 -6.945 7.365 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.468 -5.582 4.875 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -10.858 -5.196 5.352 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.194 -5.001 3.497 1.00 0.22 C ATOM 0 H VAL A 132 -7.046 -6.148 4.646 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.430 -4.032 5.959 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.425 -6.669 4.808 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.598 -5.535 4.627 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -11.054 -5.663 6.317 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -10.920 -4.113 5.454 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -9.962 -5.338 2.801 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.206 -3.912 3.552 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.217 -5.336 3.149 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.705 -4.890 8.271 1.00 0.17 N ATOM 2065 CA LYS A 133 -8.954 -5.349 9.633 1.00 0.21 C ATOM 2066 C LYS A 133 -10.419 -5.738 9.819 1.00 0.22 C ATOM 2067 O LYS A 133 -10.805 -6.876 9.555 1.00 0.24 O ATOM 2068 CB LYS A 133 -8.563 -4.263 10.640 1.00 0.29 C ATOM 2069 CG LYS A 133 -8.605 -4.728 12.088 1.00 0.35 C ATOM 2070 CD LYS A 133 -7.512 -5.743 12.378 1.00 1.17 C ATOM 2071 CE LYS A 133 -7.571 -6.230 13.813 1.00 1.20 C ATOM 2072 NZ LYS A 133 -6.644 -7.370 14.056 1.00 2.26 N ATOM 0 H LYS A 133 -8.561 -3.884 8.186 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.341 -6.233 9.811 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -7.557 -3.911 10.410 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -9.233 -3.412 10.521 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -8.491 -3.870 12.750 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -9.579 -5.169 12.302 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -7.613 -6.591 11.701 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -6.537 -5.295 12.185 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -7.319 -5.409 14.485 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -8.590 -6.535 14.050 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -6.717 -7.671 15.049 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -6.899 -8.164 13.434 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -5.668 -7.073 13.855 1.00 2.26 H new ATOM 2086 N ASP A 134 -11.232 -4.787 10.274 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.652 -5.035 10.492 1.00 0.31 C ATOM 2088 C ASP A 134 -13.447 -4.762 9.220 1.00 0.28 C ATOM 2089 O ASP A 134 -14.296 -5.560 8.822 1.00 0.30 O ATOM 2090 CB ASP A 134 -13.172 -4.162 11.635 1.00 0.39 C ATOM 2091 CG ASP A 134 -14.641 -4.406 11.930 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -14.946 -5.365 12.667 1.00 1.76 O ATOM 2093 OD2 ASP A 134 -15.483 -3.634 11.424 1.00 2.23 O ATOM 0 H ASP A 134 -10.930 -3.839 10.498 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.780 -6.083 10.761 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -12.587 -4.358 12.533 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -13.025 -3.112 11.382 1.00 0.39 H new ATOM 2098 N ASN A 135 -13.162 -3.629 8.589 1.00 0.27 N ATOM 2099 CA ASN A 135 -13.845 -3.241 7.361 1.00 0.27 C ATOM 2100 C ASN A 135 -13.074 -2.138 6.645 1.00 0.23 C ATOM 2101 O ASN A 135 -13.576 -1.530 5.698 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.267 -2.769 7.666 1.00 0.35 C ATOM 2103 CG ASN A 135 -15.294 -1.556 8.574 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -14.408 -1.368 9.408 1.00 2.08 O ATOM 2105 ND2 ASN A 135 -16.315 -0.721 8.417 1.00 1.98 N ATOM 0 H ASN A 135 -12.460 -2.961 8.909 1.00 0.27 H new ATOM 0 HA ASN A 135 -13.895 -4.113 6.709 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -15.775 -2.531 6.732 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -15.823 -3.581 8.134 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -16.386 0.113 9.000 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -17.028 -0.914 7.714 1.00 1.98 H new ATOM 2112 N HIS A 136 -11.852 -1.887 7.103 1.00 0.19 N ATOM 2113 CA HIS A 136 -11.006 -0.856 6.513 1.00 0.21 C ATOM 2114 C HIS A 136 -9.545 -1.291 6.510 1.00 0.19 C ATOM 2115 O HIS A 136 -9.204 -2.350 7.036 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.160 0.459 7.280 1.00 0.28 C ATOM 2117 CG HIS A 136 -10.775 0.360 8.722 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -11.616 -0.140 9.694 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -9.628 0.698 9.359 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -11.004 -0.103 10.865 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -9.796 0.399 10.687 1.00 0.49 N ATOM 0 H HIS A 136 -11.424 -2.385 7.884 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.323 -0.704 5.481 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.548 1.223 6.801 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.196 0.791 7.211 1.00 0.28 H new ATOM 0 HD1 HIS A 136 -12.563 -0.485 9.534 1.00 1.34 H new ATOM 0 HD2 HIS A 136 -8.745 1.124 8.905 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -11.421 -0.428 11.807 1.00 1.15 H new ATOM 2130 N LEU A 137 -8.688 -0.462 5.924 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.262 -0.767 5.852 1.00 0.22 C ATOM 2132 C LEU A 137 -6.585 -0.517 7.192 1.00 0.25 C ATOM 2133 O LEU A 137 -6.849 0.484 7.858 1.00 0.38 O ATOM 2134 CB LEU A 137 -6.592 0.074 4.765 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.019 -0.257 3.335 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.449 0.760 2.359 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.575 -1.663 2.959 1.00 0.27 C ATOM 0 H LEU A 137 -8.954 0.424 5.493 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.155 -1.822 5.602 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -6.805 1.125 4.957 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.512 -0.052 4.844 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.107 -0.213 3.282 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -6.763 0.508 1.346 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -6.814 1.755 2.616 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.360 0.747 2.415 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -6.887 -1.882 1.938 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.490 -1.733 3.030 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.030 -2.382 3.640 1.00 0.27 H new ATOM 2149 N ALA A 138 -5.706 -1.434 7.578 1.00 0.20 N ATOM 2150 CA ALA A 138 -4.986 -1.322 8.837 1.00 0.21 C ATOM 2151 C ALA A 138 -3.671 -2.088 8.782 1.00 0.22 C ATOM 2152 O ALA A 138 -3.493 -2.983 7.952 1.00 0.30 O ATOM 2153 CB ALA A 138 -5.848 -1.832 9.985 1.00 0.20 C ATOM 0 H ALA A 138 -5.475 -2.265 7.034 1.00 0.20 H new ATOM 0 HA ALA A 138 -4.759 -0.270 9.007 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.297 -1.743 10.921 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -6.762 -1.241 10.044 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.102 -2.878 9.812 1.00 0.20 H new ATOM 2159 N LEU A 139 -2.750 -1.726 9.668 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.449 -2.379 9.730 1.00 0.21 C ATOM 2161 C LEU A 139 -1.563 -3.728 10.433 1.00 0.22 C ATOM 2162 O LEU A 139 -1.501 -3.809 11.660 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.443 -1.488 10.465 1.00 0.23 C ATOM 2164 CG LEU A 139 -0.172 -0.131 9.807 1.00 0.30 C ATOM 2165 CD1 LEU A 139 0.774 0.694 10.664 1.00 0.62 C ATOM 2166 CD2 LEU A 139 0.401 -0.317 8.411 1.00 0.82 C ATOM 0 H LEU A 139 -2.881 -0.983 10.354 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.097 -2.544 8.712 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -0.806 -1.317 11.478 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.500 -2.027 10.551 1.00 0.23 H new ATOM 0 HG LEU A 139 -1.118 0.404 9.721 1.00 0.30 H new ATOM 0 HD11 LEU A 139 0.956 1.655 10.183 1.00 0.62 H new ATOM 0 HD12 LEU A 139 0.327 0.858 11.645 1.00 0.62 H new ATOM 0 HD13 LEU A 139 1.718 0.161 10.780 1.00 0.62 H new ATOM 0 HD21 LEU A 139 0.586 0.658 7.961 1.00 0.82 H new ATOM 0 HD22 LEU A 139 1.337 -0.872 8.473 1.00 0.82 H new ATOM 0 HD23 LEU A 139 -0.309 -0.871 7.797 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.731 -4.784 9.645 1.00 0.18 N ATOM 2179 CA ILE A 140 -1.869 -6.130 10.185 1.00 0.19 C ATOM 2180 C ILE A 140 -0.524 -6.852 10.234 1.00 0.25 C ATOM 2181 O ILE A 140 0.153 -6.995 9.215 1.00 0.31 O ATOM 2182 CB ILE A 140 -2.866 -6.964 9.351 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -4.213 -6.241 9.263 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -3.037 -8.351 9.956 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -5.255 -6.987 8.455 1.00 0.44 C ATOM 0 H ILE A 140 -1.775 -4.733 8.627 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.250 -6.027 11.201 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.469 -7.080 8.343 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -4.595 -6.080 10.271 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -4.059 -5.257 8.820 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -3.743 -8.925 9.356 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.074 -8.862 9.972 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.416 -8.260 10.974 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -6.182 -6.413 8.438 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -4.895 -7.125 7.436 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -5.439 -7.960 8.909 1.00 0.44 H new ATOM 2197 N LYS A 141 -0.145 -7.297 11.428 1.00 0.35 N ATOM 2198 CA LYS A 141 1.113 -8.013 11.614 1.00 0.44 C ATOM 2199 C LYS A 141 0.950 -9.477 11.221 1.00 0.32 C ATOM 2200 O LYS A 141 0.169 -10.209 11.830 1.00 0.50 O ATOM 2201 CB LYS A 141 1.581 -7.901 13.067 1.00 0.70 C ATOM 2202 CG LYS A 141 2.922 -8.566 13.329 1.00 0.79 C ATOM 2203 CD LYS A 141 3.436 -8.261 14.729 1.00 0.98 C ATOM 2204 CE LYS A 141 2.558 -8.889 15.801 1.00 1.45 C ATOM 2205 NZ LYS A 141 3.060 -8.595 17.172 1.00 2.04 N ATOM 0 H LYS A 141 -0.691 -7.175 12.281 1.00 0.35 H new ATOM 0 HA LYS A 141 1.869 -7.561 10.971 1.00 0.44 H new ATOM 0 HB2 LYS A 141 1.649 -6.847 13.338 1.00 0.70 H new ATOM 0 HB3 LYS A 141 0.830 -8.349 13.717 1.00 0.70 H new ATOM 0 HG2 LYS A 141 2.824 -9.644 13.204 1.00 0.79 H new ATOM 0 HG3 LYS A 141 3.648 -8.224 12.592 1.00 0.79 H new ATOM 0 HD2 LYS A 141 4.456 -8.632 14.831 1.00 0.98 H new ATOM 0 HD3 LYS A 141 3.473 -7.182 14.876 1.00 0.98 H new ATOM 0 HE2 LYS A 141 1.539 -8.516 15.700 1.00 1.45 H new ATOM 0 HE3 LYS A 141 2.519 -9.968 15.652 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 2.435 -9.040 17.874 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 4.023 -8.973 17.277 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 3.073 -7.566 17.324 1.00 2.04 H new ATOM 2219 N VAL A 142 1.689 -9.897 10.200 1.00 0.35 N ATOM 2220 CA VAL A 142 1.610 -11.270 9.716 1.00 0.41 C ATOM 2221 C VAL A 142 2.978 -11.945 9.711 1.00 0.49 C ATOM 2222 O VAL A 142 3.973 -11.355 9.288 1.00 0.70 O ATOM 2223 CB VAL A 142 1.019 -11.318 8.293 1.00 0.56 C ATOM 2224 CG1 VAL A 142 1.003 -12.741 7.756 1.00 0.92 C ATOM 2225 CG2 VAL A 142 -0.380 -10.724 8.280 1.00 0.81 C ATOM 0 H VAL A 142 2.348 -9.307 9.692 1.00 0.35 H new ATOM 0 HA VAL A 142 0.956 -11.809 10.401 1.00 0.41 H new ATOM 0 HB VAL A 142 1.656 -10.721 7.640 1.00 0.56 H new ATOM 0 HG11 VAL A 142 0.581 -12.746 6.751 1.00 0.92 H new ATOM 0 HG12 VAL A 142 2.021 -13.129 7.724 1.00 0.92 H new ATOM 0 HG13 VAL A 142 0.395 -13.369 8.407 1.00 0.92 H new ATOM 0 HG21 VAL A 142 -0.783 -10.765 7.268 1.00 0.81 H new ATOM 0 HG22 VAL A 142 -1.023 -11.294 8.951 1.00 0.81 H new ATOM 0 HG23 VAL A 142 -0.338 -9.687 8.612 1.00 0.81 H new ATOM 2235 N ASP A 143 3.016 -13.186 10.186 1.00 0.49 N ATOM 2236 CA ASP A 143 4.253 -13.954 10.228 1.00 0.57 C ATOM 2237 C ASP A 143 4.381 -14.820 8.977 1.00 0.84 C ATOM 2238 O ASP A 143 3.388 -15.102 8.306 1.00 1.02 O ATOM 2239 CB ASP A 143 4.291 -14.829 11.482 1.00 0.73 C ATOM 2240 CG ASP A 143 5.675 -15.374 11.766 1.00 1.51 C ATOM 2241 OD1 ASP A 143 6.070 -16.363 11.111 1.00 2.39 O ATOM 2242 OD2 ASP A 143 6.365 -14.818 12.645 1.00 1.78 O ATOM 0 H ASP A 143 2.201 -13.681 10.548 1.00 0.49 H new ATOM 0 HA ASP A 143 5.093 -13.260 10.260 1.00 0.57 H new ATOM 0 HB2 ASP A 143 3.950 -14.247 12.338 1.00 0.73 H new ATOM 0 HB3 ASP A 143 3.594 -15.659 11.364 1.00 0.73 H new ATOM 2247 N SER A 144 5.602 -15.243 8.671 1.00 1.03 N ATOM 2248 CA SER A 144 5.849 -16.068 7.493 1.00 1.43 C ATOM 2249 C SER A 144 5.909 -17.552 7.852 1.00 1.30 C ATOM 2250 O SER A 144 6.837 -18.257 7.454 1.00 1.83 O ATOM 2251 CB SER A 144 7.156 -15.644 6.816 1.00 2.21 C ATOM 2252 OG SER A 144 7.371 -16.370 5.618 1.00 3.06 O ATOM 0 H SER A 144 6.435 -15.029 9.220 1.00 1.03 H new ATOM 0 HA SER A 144 5.018 -15.920 6.803 1.00 1.43 H new ATOM 0 HB2 SER A 144 7.126 -14.577 6.597 1.00 2.21 H new ATOM 0 HB3 SER A 144 7.991 -15.806 7.498 1.00 2.21 H new ATOM 0 HG SER A 144 7.347 -17.331 5.809 1.00 3.06 H new ATOM 2258 N SER A 145 4.911 -18.023 8.599 1.00 1.31 N ATOM 2259 CA SER A 145 4.857 -19.427 9.003 1.00 1.34 C ATOM 2260 C SER A 145 3.561 -19.745 9.744 1.00 1.30 C ATOM 2261 O SER A 145 2.859 -20.695 9.400 1.00 1.61 O ATOM 2262 CB SER A 145 6.055 -19.775 9.889 1.00 1.94 C ATOM 2263 OG SER A 145 6.054 -19.002 11.076 1.00 2.25 O ATOM 0 H SER A 145 4.133 -17.456 8.935 1.00 1.31 H new ATOM 0 HA SER A 145 4.891 -20.031 8.096 1.00 1.34 H new ATOM 0 HB2 SER A 145 6.028 -20.835 10.142 1.00 1.94 H new ATOM 0 HB3 SER A 145 6.980 -19.602 9.339 1.00 1.94 H new ATOM 0 HG SER A 145 6.078 -18.050 10.846 1.00 2.25 H new ATOM 2269 N GLU A 146 3.249 -18.944 10.759 1.00 1.26 N ATOM 2270 CA GLU A 146 2.042 -19.152 11.555 1.00 1.51 C ATOM 2271 C GLU A 146 0.921 -18.207 11.131 1.00 1.43 C ATOM 2272 O GLU A 146 -0.115 -18.125 11.790 1.00 1.95 O ATOM 2273 CB GLU A 146 2.348 -18.955 13.041 1.00 1.75 C ATOM 2274 CG GLU A 146 3.030 -17.633 13.354 1.00 1.72 C ATOM 2275 CD GLU A 146 3.227 -17.418 14.840 1.00 2.48 C ATOM 2276 OE1 GLU A 146 4.275 -17.849 15.368 1.00 3.07 O ATOM 2277 OE2 GLU A 146 2.337 -16.817 15.477 1.00 3.04 O ATOM 0 H GLU A 146 3.814 -18.146 11.050 1.00 1.26 H new ATOM 0 HA GLU A 146 1.707 -20.175 11.384 1.00 1.51 H new ATOM 0 HB2 GLU A 146 1.418 -19.017 13.606 1.00 1.75 H new ATOM 0 HB3 GLU A 146 2.983 -19.772 13.383 1.00 1.75 H new ATOM 0 HG2 GLU A 146 3.998 -17.600 12.854 1.00 1.72 H new ATOM 0 HG3 GLU A 146 2.434 -16.816 12.948 1.00 1.72 H new ATOM 2284 N ASN A 147 1.132 -17.498 10.027 1.00 1.13 N ATOM 2285 CA ASN A 147 0.136 -16.559 9.519 1.00 1.51 C ATOM 2286 C ASN A 147 0.253 -16.405 8.008 1.00 1.30 C ATOM 2287 O ASN A 147 -0.271 -15.454 7.430 1.00 1.68 O ATOM 2288 CB ASN A 147 0.297 -15.193 10.188 1.00 2.13 C ATOM 2289 CG ASN A 147 -0.082 -15.211 11.656 1.00 2.99 C ATOM 2290 OD1 ASN A 147 0.758 -15.445 12.523 1.00 3.45 O ATOM 2291 ND2 ASN A 147 -1.355 -14.961 11.942 1.00 3.59 N ATOM 0 H ASN A 147 1.982 -17.555 9.467 1.00 1.13 H new ATOM 0 HA ASN A 147 -0.850 -16.960 9.755 1.00 1.51 H new ATOM 0 HB2 ASN A 147 1.331 -14.864 10.088 1.00 2.13 H new ATOM 0 HB3 ASN A 147 -0.322 -14.463 9.666 1.00 2.13 H new ATOM 0 HD21 ASN A 147 -1.669 -14.958 12.913 1.00 3.59 H new ATOM 0 HD22 ASN A 147 -2.019 -14.772 11.191 1.00 3.59 H new ATOM 2298 N LEU A 148 0.937 -17.350 7.374 1.00 0.97 N ATOM 2299 CA LEU A 148 1.126 -17.313 5.930 1.00 1.05 C ATOM 2300 C LEU A 148 -0.214 -17.258 5.205 1.00 0.99 C ATOM 2301 O LEU A 148 -0.314 -16.714 4.106 1.00 1.29 O ATOM 2302 CB LEU A 148 1.923 -18.532 5.464 1.00 1.08 C ATOM 2303 CG LEU A 148 2.530 -18.409 4.066 1.00 1.18 C ATOM 2304 CD1 LEU A 148 3.549 -17.280 4.026 1.00 1.72 C ATOM 2305 CD2 LEU A 148 3.171 -19.724 3.646 1.00 1.74 C ATOM 0 H LEU A 148 1.369 -18.150 7.837 1.00 0.97 H new ATOM 0 HA LEU A 148 1.686 -16.410 5.688 1.00 1.05 H new ATOM 0 HB2 LEU A 148 2.726 -18.717 6.178 1.00 1.08 H new ATOM 0 HB3 LEU A 148 1.270 -19.404 5.485 1.00 1.08 H new ATOM 0 HG LEU A 148 1.731 -18.176 3.362 1.00 1.18 H new ATOM 0 HD11 LEU A 148 3.971 -17.206 3.024 1.00 1.72 H new ATOM 0 HD12 LEU A 148 3.061 -16.340 4.284 1.00 1.72 H new ATOM 0 HD13 LEU A 148 4.346 -17.484 4.741 1.00 1.72 H new ATOM 0 HD21 LEU A 148 3.598 -19.618 2.649 1.00 1.74 H new ATOM 0 HD22 LEU A 148 3.959 -19.987 4.352 1.00 1.74 H new ATOM 0 HD23 LEU A 148 2.416 -20.510 3.636 1.00 1.74 H new ATOM 2317 N CYS A 149 -1.244 -17.824 5.829 1.00 0.81 N ATOM 2318 CA CYS A 149 -2.580 -17.832 5.247 1.00 0.79 C ATOM 2319 C CYS A 149 -3.418 -16.682 5.795 1.00 0.79 C ATOM 2320 O CYS A 149 -4.035 -16.800 6.854 1.00 1.26 O ATOM 2321 CB CYS A 149 -3.275 -19.166 5.531 1.00 0.77 C ATOM 2322 SG CYS A 149 -2.419 -20.604 4.848 1.00 1.73 S ATOM 0 H CYS A 149 -1.177 -18.283 6.738 1.00 0.81 H new ATOM 0 HA CYS A 149 -2.481 -17.704 4.169 1.00 0.79 H new ATOM 0 HB2 CYS A 149 -3.370 -19.292 6.610 1.00 0.77 H new ATOM 0 HB3 CYS A 149 -4.286 -19.131 5.124 1.00 0.77 H new ATOM 0 HG CYS A 149 -3.081 -21.683 5.142 1.00 1.73 H new ATOM 2328 N THR A 150 -3.433 -15.567 5.069 1.00 0.52 N ATOM 2329 CA THR A 150 -4.194 -14.395 5.484 1.00 0.47 C ATOM 2330 C THR A 150 -4.674 -13.598 4.274 1.00 0.37 C ATOM 2331 O THR A 150 -3.911 -12.839 3.680 1.00 0.35 O ATOM 2332 CB THR A 150 -3.360 -13.475 6.396 1.00 0.52 C ATOM 2333 OG1 THR A 150 -2.869 -14.214 7.522 1.00 0.83 O ATOM 2334 CG2 THR A 150 -4.189 -12.297 6.882 1.00 1.06 C ATOM 0 H THR A 150 -2.927 -15.452 4.191 1.00 0.52 H new ATOM 0 HA THR A 150 -5.056 -14.758 6.043 1.00 0.47 H new ATOM 0 HB THR A 150 -2.519 -13.093 5.816 1.00 0.52 H new ATOM 0 HG1 THR A 150 -1.984 -14.579 7.313 1.00 0.83 H new ATOM 0 HG21 THR A 150 -3.578 -11.662 7.524 1.00 1.06 H new ATOM 0 HG22 THR A 150 -4.537 -11.719 6.026 1.00 1.06 H new ATOM 0 HG23 THR A 150 -5.047 -12.664 7.445 1.00 1.06 H new ATOM 2342 N GLU A 151 -5.942 -13.775 3.919 1.00 0.38 N ATOM 2343 CA GLU A 151 -6.525 -13.077 2.778 1.00 0.34 C ATOM 2344 C GLU A 151 -6.588 -11.571 3.021 1.00 0.28 C ATOM 2345 O GLU A 151 -6.736 -10.788 2.083 1.00 0.28 O ATOM 2346 CB GLU A 151 -7.925 -13.617 2.484 1.00 0.46 C ATOM 2347 CG GLU A 151 -8.875 -13.521 3.667 1.00 1.22 C ATOM 2348 CD GLU A 151 -10.269 -14.020 3.340 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -10.511 -15.237 3.477 1.00 1.46 O ATOM 2350 OE2 GLU A 151 -11.117 -13.193 2.947 1.00 1.95 O ATOM 0 H GLU A 151 -6.587 -14.397 4.406 1.00 0.38 H new ATOM 0 HA GLU A 151 -5.883 -13.255 1.915 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -8.348 -13.067 1.643 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -7.846 -14.660 2.176 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -8.472 -14.099 4.499 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -8.933 -12.484 3.998 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.475 -11.171 4.284 1.00 0.27 N ATOM 2358 CA ASN A 152 -6.525 -9.759 4.647 1.00 0.28 C ATOM 2359 C ASN A 152 -5.386 -8.979 3.996 1.00 0.29 C ATOM 2360 O ASN A 152 -5.585 -7.866 3.511 1.00 0.32 O ATOM 2361 CB ASN A 152 -6.465 -9.599 6.168 1.00 0.37 C ATOM 2362 CG ASN A 152 -7.626 -10.277 6.871 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -7.451 -11.549 7.208 1.00 1.30 O flip ATOM 2364 ND2 ASN A 152 -8.667 -9.665 7.108 1.00 1.29 N flip ATOM 0 H ASN A 152 -6.348 -11.805 5.073 1.00 0.27 H new ATOM 0 HA ASN A 152 -7.468 -9.354 4.281 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -5.528 -10.016 6.537 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -6.463 -8.538 6.418 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -8.758 -8.688 6.831 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -9.439 -10.135 7.581 1.00 1.29 H new ATOM 2371 N ILE A 153 -4.191 -9.567 3.987 1.00 0.31 N ATOM 2372 CA ILE A 153 -3.026 -8.916 3.395 1.00 0.37 C ATOM 2373 C ILE A 153 -2.944 -9.172 1.894 1.00 0.38 C ATOM 2374 O ILE A 153 -2.134 -8.562 1.196 1.00 0.71 O ATOM 2375 CB ILE A 153 -1.714 -9.389 4.056 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -1.637 -10.918 4.057 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -1.608 -8.843 5.472 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.321 -11.462 4.572 1.00 0.48 C ATOM 0 H ILE A 153 -4.005 -10.489 4.381 1.00 0.31 H new ATOM 0 HA ILE A 153 -3.149 -7.847 3.570 1.00 0.37 H new ATOM 0 HB ILE A 153 -0.874 -9.005 3.477 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.448 -11.313 4.669 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.798 -11.282 3.042 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -0.678 -9.185 5.925 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -1.619 -7.753 5.444 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -2.452 -9.199 6.063 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.341 -12.551 4.543 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.493 -11.097 3.946 1.00 0.48 H new ATOM 0 HD13 ILE A 153 -0.167 -11.129 5.598 1.00 0.48 H new ATOM 2390 N LEU A 154 -3.788 -10.074 1.399 1.00 0.24 N ATOM 2391 CA LEU A 154 -3.802 -10.399 -0.024 1.00 0.22 C ATOM 2392 C LEU A 154 -4.620 -9.378 -0.805 1.00 0.20 C ATOM 2393 O LEU A 154 -5.849 -9.363 -0.729 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.366 -11.806 -0.248 1.00 0.23 C ATOM 2395 CG LEU A 154 -3.620 -12.935 0.469 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.244 -14.280 0.135 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.144 -12.926 0.099 1.00 0.35 C ATOM 0 H LEU A 154 -4.467 -10.590 1.959 1.00 0.24 H new ATOM 0 HA LEU A 154 -2.775 -10.370 -0.387 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.407 -11.818 0.076 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.363 -12.014 -1.318 1.00 0.23 H new ATOM 0 HG LEU A 154 -3.703 -12.771 1.543 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -3.702 -15.071 0.653 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.287 -14.286 0.453 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -4.192 -14.448 -0.941 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -1.633 -13.736 0.620 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -2.038 -13.062 -0.977 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -1.702 -11.973 0.389 1.00 0.35 H new ATOM 2409 N PHE A 155 -3.931 -8.526 -1.556 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.591 -7.498 -2.349 1.00 0.18 C ATOM 2411 C PHE A 155 -4.524 -7.819 -3.834 1.00 0.17 C ATOM 2412 O PHE A 155 -3.730 -8.652 -4.270 1.00 0.20 O ATOM 2413 CB PHE A 155 -3.954 -6.131 -2.092 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.289 -5.556 -0.748 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -5.431 -4.792 -0.572 1.00 0.37 C ATOM 2416 CD2 PHE A 155 -3.465 -5.783 0.342 1.00 0.43 C ATOM 2417 CE1 PHE A 155 -5.742 -4.262 0.666 1.00 0.42 C ATOM 2418 CE2 PHE A 155 -3.770 -5.256 1.580 1.00 0.52 C ATOM 2419 CZ PHE A 155 -4.908 -4.489 1.742 1.00 0.42 C ATOM 0 H PHE A 155 -2.914 -8.528 -1.632 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.638 -7.471 -2.046 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -2.871 -6.222 -2.180 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -4.279 -5.436 -2.866 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -6.085 -4.608 -1.411 1.00 0.37 H new ATOM 0 HD2 PHE A 155 -2.573 -6.380 0.221 1.00 0.43 H new ATOM 0 HE1 PHE A 155 -6.637 -3.671 0.791 1.00 0.42 H new ATOM 0 HE2 PHE A 155 -3.120 -5.443 2.422 1.00 0.52 H new ATOM 0 HZ PHE A 155 -5.144 -4.068 2.708 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.369 -7.143 -4.605 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.419 -7.335 -6.047 1.00 0.21 C ATOM 2431 C LYS A 156 -5.497 -5.988 -6.758 1.00 0.22 C ATOM 2432 O LYS A 156 -6.105 -5.042 -6.250 1.00 0.28 O ATOM 2433 CB LYS A 156 -6.621 -8.200 -6.425 1.00 0.24 C ATOM 2434 CG LYS A 156 -6.561 -9.610 -5.857 1.00 0.27 C ATOM 2435 CD LYS A 156 -7.853 -10.371 -6.115 1.00 0.40 C ATOM 2436 CE LYS A 156 -8.116 -10.545 -7.602 1.00 0.93 C ATOM 2437 NZ LYS A 156 -9.404 -11.246 -7.861 1.00 1.38 N ATOM 0 H LYS A 156 -6.032 -6.453 -4.251 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.508 -7.844 -6.361 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.532 -7.715 -6.074 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -6.689 -8.258 -7.511 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -5.725 -10.148 -6.304 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -6.373 -9.564 -4.784 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -7.800 -11.350 -5.638 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -8.687 -9.838 -5.658 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -8.131 -9.568 -8.084 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -7.299 -11.109 -8.051 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -9.546 -11.344 -8.887 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -9.380 -12.189 -7.423 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -10.187 -10.695 -7.455 1.00 1.38 H new ATOM 2451 N LEU A 157 -4.881 -5.910 -7.933 1.00 0.25 N ATOM 2452 CA LEU A 157 -4.872 -4.679 -8.713 1.00 0.29 C ATOM 2453 C LEU A 157 -5.378 -4.925 -10.130 1.00 0.32 C ATOM 2454 O LEU A 157 -5.545 -6.070 -10.551 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.458 -4.096 -8.756 1.00 0.39 C ATOM 2456 CG LEU A 157 -2.786 -3.919 -7.392 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -1.344 -3.468 -7.564 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -3.561 -2.926 -6.540 1.00 0.51 C ATOM 0 H LEU A 157 -4.381 -6.686 -8.366 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.541 -3.966 -8.231 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -2.833 -4.745 -9.370 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.496 -3.127 -9.253 1.00 0.39 H new ATOM 0 HG LEU A 157 -2.786 -4.881 -6.880 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -0.881 -3.347 -6.585 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -0.794 -4.216 -8.135 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -1.321 -2.517 -8.096 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -3.068 -2.813 -5.574 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -3.594 -1.961 -7.046 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -4.577 -3.291 -6.389 1.00 0.51 H new ATOM 2470 N SER A 158 -5.621 -3.841 -10.860 1.00 0.41 N ATOM 2471 CA SER A 158 -6.108 -3.933 -12.231 1.00 0.48 C ATOM 2472 C SER A 158 -5.742 -2.681 -13.021 1.00 0.50 C ATOM 2473 O SER A 158 -5.548 -1.608 -12.448 1.00 0.69 O ATOM 2474 CB SER A 158 -7.624 -4.130 -12.247 1.00 0.57 C ATOM 2475 OG SER A 158 -8.098 -4.340 -13.567 1.00 1.47 O ATOM 0 H SER A 158 -5.488 -2.887 -10.524 1.00 0.41 H new ATOM 0 HA SER A 158 -5.632 -4.794 -12.701 1.00 0.48 H new ATOM 0 HB2 SER A 158 -7.890 -4.983 -11.622 1.00 0.57 H new ATOM 0 HB3 SER A 158 -8.112 -3.255 -11.817 1.00 0.57 H new ATOM 0 HG SER A 158 -9.070 -4.465 -13.550 1.00 1.47 H new ATOM 2481 N GLU A 159 -5.650 -2.825 -14.339 1.00 0.58 N ATOM 2482 CA GLU A 159 -5.311 -1.704 -15.208 1.00 0.66 C ATOM 2483 C GLU A 159 -6.530 -1.248 -16.002 1.00 0.60 C ATOM 2484 O GLU A 159 -6.763 -1.706 -17.121 1.00 0.73 O ATOM 2485 CB GLU A 159 -4.180 -2.093 -16.161 1.00 0.94 C ATOM 2486 CG GLU A 159 -2.897 -2.495 -15.453 1.00 1.13 C ATOM 2487 CD GLU A 159 -1.769 -2.799 -16.418 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -1.672 -3.960 -16.872 1.00 2.11 O ATOM 2489 OE2 GLU A 159 -0.982 -1.878 -16.722 1.00 2.23 O ATOM 0 H GLU A 159 -5.805 -3.706 -14.828 1.00 0.58 H new ATOM 0 HA GLU A 159 -4.977 -0.877 -14.582 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -4.513 -2.920 -16.788 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -3.971 -1.254 -16.825 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -2.590 -1.693 -14.782 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -3.087 -3.372 -14.835 1.00 1.13 H new ATOM 2496 N THR A 160 -7.307 -0.345 -15.411 1.00 0.57 N ATOM 2497 CA THR A 160 -8.505 0.180 -16.058 1.00 0.69 C ATOM 2498 C THR A 160 -8.175 0.832 -17.399 1.00 1.35 C ATOM 2499 O THR A 160 -7.798 2.023 -17.405 1.00 1.89 O ATOM 2500 CB THR A 160 -9.237 1.197 -15.157 1.00 1.14 C ATOM 2501 OG1 THR A 160 -10.208 1.920 -15.924 1.00 1.94 O ATOM 2502 CG2 THR A 160 -8.260 2.175 -14.516 1.00 1.98 C ATOM 2503 OXT THR A 160 -8.299 0.145 -18.434 1.00 2.15 O ATOM 0 H THR A 160 -7.128 0.039 -14.483 1.00 0.57 H new ATOM 0 HA THR A 160 -9.164 -0.670 -16.233 1.00 0.69 H new ATOM 0 HB THR A 160 -9.735 0.642 -14.362 1.00 1.14 H new ATOM 0 HG1 THR A 160 -10.670 2.562 -15.345 1.00 1.94 H new ATOM 0 HG21 THR A 160 -8.808 2.878 -13.888 1.00 1.98 H new ATOM 0 HG22 THR A 160 -7.543 1.626 -13.906 1.00 1.98 H new ATOM 0 HG23 THR A 160 -7.729 2.722 -15.295 1.00 1.98 H new TER 2511 THR A 160