USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1248 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 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 143 THR OG1 : rot 180:sc= -0.121 USER MOD Set 2.2: A 144 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 128 GLN : amide:sc=-0.00386 K(o=-0.0039,f=-1.7!) USER MOD Set 3.2: A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.636 K(o=-0.91,f=-2.4) USER MOD Set 4.2: A 119 SER OG : rot 130:sc= -0.277 USER MOD Set 5.1: A 109 SER OG : rot 130:sc= -1.84 USER MOD Set 5.2: A 112 GLN : amide:sc= -4.05! C(o=-5.9!,f=-9.1!) USER MOD Set 6.1: A 103 GLN : amide:sc= -0.553 K(o=-1.3,f=-3) USER MOD Set 6.2: A 117 GLN : amide:sc= -0.777 K(o=-1.3,f=-4) USER MOD Set 7.1: A 44 THR OG1 : rot -55:sc= 1.19 USER MOD Set 7.2: A 48 SER OG : rot 172:sc= 0.928 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0966 F(o=-0.63,f=-0.097) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= 0.444 F(o=-0.54,f=0.44) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 64 ASN : amide:sc= -0.957 K(o=-0.96,f=-4.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 147:sc= -1.35 (180deg=-3.66!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.33 K(o=-1.3,f=-4.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= 0.502 F(o=-0.05,f=0.5) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00235 USER MOD Single : A 98 TYR OH : rot 177:sc= -2.68! USER MOD Single : A 101 TYR OH : rot 180:sc= -2.14! USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 117:sc= -2.35! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 130 LYS NZ :NH3+ 170:sc= -1.5 (180deg=-1.52) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 THR OG1 : rot -78:sc= -0.196! USER MOD Single : A 139 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 145 ASN :FLIP amide:sc= -5.36! C(o=-9.3!,f=-5.4!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= 0.154 K(o=0.15,f=-1.1) USER MOD Single : A 155 GLN : amide:sc=-0.00532 X(o=-0.0053,f=0) USER MOD Single : A 156 ASN : amide:sc= -1.52! C(o=-1.5!,f=-12!) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 160 GLN : amide:sc= -0.36 X(o=-0.36,f=0.011) USER MOD Single : A 162 MET CE :methyl -134:sc= -7.94! (180deg=-18.1!) USER MOD Single : A 163 THR OG1 : rot 16:sc= 0.296 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 HIS : no HD1:sc= -0.175 K(o=-0.18,f=-0.71) USER MOD Single : A 170 SER OG : rot 150:sc= -0.312 USER MOD Single : A 176 GLN : amide:sc= -1.47 K(o=-1.5,f=-8!) USER MOD Single : A 177 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 178 SER OG : rot -172:sc= -2.27! USER MOD Single : A 184 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.1!) USER MOD Single : A 185 MET CE :methyl 170:sc= -0.255 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 19.595 12.966 0.554 1.00 1.46 N ATOM 21 CA THR A 21 20.080 11.878 -0.344 1.00 1.34 C ATOM 22 C THR A 21 18.881 11.135 -0.936 1.00 1.09 C ATOM 23 O THR A 21 17.751 11.353 -0.548 1.00 0.94 O ATOM 24 CB THR A 21 20.949 10.898 0.450 1.00 1.42 C ATOM 25 OG1 THR A 21 21.132 9.711 -0.307 1.00 1.21 O ATOM 26 CG2 THR A 21 20.268 10.559 1.775 1.00 1.42 C ATOM 0 HA THR A 21 20.674 12.312 -1.148 1.00 1.34 H new ATOM 0 HB THR A 21 21.917 11.356 0.652 1.00 1.42 H new ATOM 0 HG1 THR A 21 21.689 9.083 0.199 1.00 1.21 H new ATOM 0 HG21 THR A 21 20.890 9.862 2.336 1.00 1.42 H new ATOM 0 HG22 THR A 21 20.130 11.470 2.357 1.00 1.42 H new ATOM 0 HG23 THR A 21 19.298 10.103 1.579 1.00 1.42 H new ATOM 34 N SER A 22 19.118 10.261 -1.876 1.00 1.05 N ATOM 35 CA SER A 22 17.992 9.507 -2.497 1.00 0.81 C ATOM 36 C SER A 22 17.168 8.813 -1.408 1.00 0.72 C ATOM 37 O SER A 22 15.955 8.795 -1.455 1.00 0.59 O ATOM 38 CB SER A 22 18.553 8.460 -3.457 1.00 0.80 C ATOM 39 OG SER A 22 19.606 9.034 -4.218 1.00 1.36 O ATOM 0 H SER A 22 20.044 10.036 -2.241 1.00 1.05 H new ATOM 0 HA SER A 22 17.352 10.200 -3.043 1.00 0.81 H new ATOM 0 HB2 SER A 22 18.920 7.599 -2.899 1.00 0.80 H new ATOM 0 HB3 SER A 22 17.766 8.099 -4.119 1.00 0.80 H new ATOM 0 HG SER A 22 19.968 8.363 -4.833 1.00 1.36 H new ATOM 45 N SER A 23 17.814 8.242 -0.428 1.00 0.82 N ATOM 46 CA SER A 23 17.057 7.555 0.657 1.00 0.80 C ATOM 47 C SER A 23 16.129 8.564 1.333 1.00 0.69 C ATOM 48 O SER A 23 14.998 8.261 1.658 1.00 0.53 O ATOM 49 CB SER A 23 18.034 6.986 1.686 1.00 1.07 C ATOM 50 OG SER A 23 17.413 5.912 2.380 1.00 0.77 O ATOM 0 H SER A 23 18.829 8.221 -0.332 1.00 0.82 H new ATOM 0 HA SER A 23 16.469 6.740 0.235 1.00 0.80 H new ATOM 0 HB2 SER A 23 18.940 6.638 1.190 1.00 1.07 H new ATOM 0 HB3 SER A 23 18.333 7.763 2.389 1.00 1.07 H new ATOM 0 HG SER A 23 18.038 5.544 3.039 1.00 0.77 H new ATOM 56 N GLU A 24 16.592 9.765 1.541 1.00 0.84 N ATOM 57 CA GLU A 24 15.726 10.790 2.182 1.00 0.82 C ATOM 58 C GLU A 24 14.511 11.021 1.287 1.00 0.62 C ATOM 59 O GLU A 24 13.427 11.317 1.750 1.00 0.58 O ATOM 60 CB GLU A 24 16.503 12.099 2.345 1.00 1.08 C ATOM 61 CG GLU A 24 15.995 12.843 3.582 1.00 1.69 C ATOM 62 CD GLU A 24 14.561 13.317 3.342 1.00 3.02 C ATOM 63 OE1 GLU A 24 14.234 13.597 2.200 1.00 3.77 O ATOM 64 OE2 GLU A 24 13.813 13.391 4.302 1.00 3.58 O ATOM 0 H GLU A 24 17.531 10.079 1.295 1.00 0.84 H new ATOM 0 HA GLU A 24 15.408 10.447 3.167 1.00 0.82 H new ATOM 0 HB2 GLU A 24 17.569 11.892 2.444 1.00 1.08 H new ATOM 0 HB3 GLU A 24 16.380 12.720 1.458 1.00 1.08 H new ATOM 0 HG2 GLU A 24 16.032 12.189 4.453 1.00 1.69 H new ATOM 0 HG3 GLU A 24 16.640 13.695 3.796 1.00 1.69 H new ATOM 71 N ARG A 25 14.688 10.877 0.002 1.00 0.54 N ATOM 72 CA ARG A 25 13.549 11.073 -0.936 1.00 0.49 C ATOM 73 C ARG A 25 12.623 9.856 -0.863 1.00 0.29 C ATOM 74 O ARG A 25 11.443 9.950 -1.126 1.00 0.46 O ATOM 75 CB ARG A 25 14.084 11.231 -2.361 1.00 0.55 C ATOM 76 CG ARG A 25 14.429 12.700 -2.613 1.00 0.61 C ATOM 77 CD ARG A 25 14.919 12.874 -4.051 1.00 0.88 C ATOM 78 NE ARG A 25 13.758 12.831 -4.981 1.00 2.09 N ATOM 79 CZ ARG A 25 13.510 13.845 -5.765 1.00 2.47 C ATOM 80 NH1 ARG A 25 14.457 14.331 -6.520 1.00 2.08 N ATOM 81 NH2 ARG A 25 12.319 14.373 -5.793 1.00 3.70 N ATOM 0 H ARG A 25 15.575 10.632 -0.439 1.00 0.54 H new ATOM 0 HA ARG A 25 12.994 11.969 -0.660 1.00 0.49 H new ATOM 0 HB2 ARG A 25 14.968 10.609 -2.501 1.00 0.55 H new ATOM 0 HB3 ARG A 25 13.339 10.892 -3.081 1.00 0.55 H new ATOM 0 HG2 ARG A 25 13.553 13.325 -2.439 1.00 0.61 H new ATOM 0 HG3 ARG A 25 15.198 13.028 -1.914 1.00 0.61 H new ATOM 0 HD2 ARG A 25 15.446 13.822 -4.154 1.00 0.88 H new ATOM 0 HD3 ARG A 25 15.629 12.086 -4.302 1.00 0.88 H new ATOM 0 HE ARG A 25 13.155 12.008 -5.006 1.00 2.09 H new ATOM 0 HH11 ARG A 25 15.390 13.919 -6.497 1.00 2.08 H new ATOM 0 HH12 ARG A 25 14.265 15.123 -7.133 1.00 2.08 H new ATOM 0 HH21 ARG A 25 11.579 13.994 -5.202 1.00 3.70 H new ATOM 0 HH22 ARG A 25 12.127 15.165 -6.406 1.00 3.70 H new ATOM 95 N ILE A 26 13.149 8.715 -0.497 1.00 0.01 N ATOM 96 CA ILE A 26 12.297 7.493 -0.393 1.00 0.27 C ATOM 97 C ILE A 26 11.356 7.647 0.812 1.00 0.29 C ATOM 98 O ILE A 26 10.186 7.321 0.751 1.00 0.44 O ATOM 99 CB ILE A 26 13.193 6.258 -0.197 1.00 0.48 C ATOM 100 CG1 ILE A 26 14.055 6.035 -1.464 1.00 0.86 C ATOM 101 CG2 ILE A 26 12.330 5.020 0.102 1.00 0.44 C ATOM 102 CD1 ILE A 26 13.301 5.218 -2.531 1.00 0.31 C ATOM 0 H ILE A 26 14.133 8.577 -0.266 1.00 0.01 H new ATOM 0 HA ILE A 26 11.712 7.368 -1.304 1.00 0.27 H new ATOM 0 HB ILE A 26 13.856 6.423 0.652 1.00 0.48 H new ATOM 0 HG12 ILE A 26 14.344 6.999 -1.882 1.00 0.86 H new ATOM 0 HG13 ILE A 26 14.975 5.517 -1.192 1.00 0.86 H new ATOM 0 HG21 ILE A 26 12.974 4.152 0.239 1.00 0.44 H new ATOM 0 HG22 ILE A 26 11.752 5.190 1.011 1.00 0.44 H new ATOM 0 HG23 ILE A 26 11.651 4.840 -0.731 1.00 0.44 H new ATOM 0 HD11 ILE A 26 13.939 5.083 -3.404 1.00 0.31 H new ATOM 0 HD12 ILE A 26 13.035 4.243 -2.122 1.00 0.31 H new ATOM 0 HD13 ILE A 26 12.395 5.749 -2.823 1.00 0.31 H new ATOM 114 N ASP A 27 11.859 8.138 1.911 1.00 0.18 N ATOM 115 CA ASP A 27 10.995 8.304 3.116 1.00 0.18 C ATOM 116 C ASP A 27 9.979 9.425 2.878 1.00 0.16 C ATOM 117 O ASP A 27 8.786 9.226 2.988 1.00 0.21 O ATOM 118 CB ASP A 27 11.866 8.654 4.323 1.00 0.17 C ATOM 119 CG ASP A 27 10.979 8.832 5.558 1.00 0.27 C ATOM 120 OD1 ASP A 27 10.168 9.744 5.554 1.00 0.48 O ATOM 121 OD2 ASP A 27 11.126 8.053 6.486 1.00 0.98 O ATOM 0 H ASP A 27 12.829 8.431 2.028 1.00 0.18 H new ATOM 0 HA ASP A 27 10.463 7.372 3.306 1.00 0.18 H new ATOM 0 HB2 ASP A 27 12.597 7.865 4.498 1.00 0.17 H new ATOM 0 HB3 ASP A 27 12.425 9.569 4.128 1.00 0.17 H new ATOM 126 N LYS A 28 10.440 10.605 2.561 1.00 0.29 N ATOM 127 CA LYS A 28 9.497 11.735 2.329 1.00 0.31 C ATOM 128 C LYS A 28 8.549 11.392 1.177 1.00 0.25 C ATOM 129 O LYS A 28 7.448 11.899 1.100 1.00 0.20 O ATOM 130 CB LYS A 28 10.289 12.994 1.975 1.00 0.41 C ATOM 131 CG LYS A 28 11.194 12.706 0.777 1.00 1.54 C ATOM 132 CD LYS A 28 10.551 13.263 -0.493 1.00 2.01 C ATOM 133 CE LYS A 28 10.494 14.788 -0.410 1.00 1.75 C ATOM 134 NZ LYS A 28 11.044 15.377 -1.664 1.00 2.94 N ATOM 0 H LYS A 28 11.428 10.834 2.453 1.00 0.29 H new ATOM 0 HA LYS A 28 8.916 11.909 3.235 1.00 0.31 H new ATOM 0 HB2 LYS A 28 9.607 13.812 1.741 1.00 0.41 H new ATOM 0 HB3 LYS A 28 10.888 13.312 2.829 1.00 0.41 H new ATOM 0 HG2 LYS A 28 12.173 13.159 0.930 1.00 1.54 H new ATOM 0 HG3 LYS A 28 11.352 11.632 0.677 1.00 1.54 H new ATOM 0 HD2 LYS A 28 11.125 12.957 -1.368 1.00 2.01 H new ATOM 0 HD3 LYS A 28 9.547 12.857 -0.613 1.00 2.01 H new ATOM 0 HE2 LYS A 28 9.465 15.116 -0.263 1.00 1.75 H new ATOM 0 HE3 LYS A 28 11.066 15.137 0.449 1.00 1.75 H new ATOM 0 HZ1 LYS A 28 11.005 16.415 -1.606 1.00 2.94 H new ATOM 0 HZ2 LYS A 28 12.031 15.074 -1.786 1.00 2.94 H new ATOM 0 HZ3 LYS A 28 10.480 15.054 -2.476 1.00 2.94 H new ATOM 148 N GLN A 29 8.964 10.540 0.280 1.00 0.27 N ATOM 149 CA GLN A 29 8.076 10.178 -0.862 1.00 0.27 C ATOM 150 C GLN A 29 6.884 9.375 -0.339 1.00 0.19 C ATOM 151 O GLN A 29 5.754 9.611 -0.722 1.00 0.23 O ATOM 152 CB GLN A 29 8.857 9.345 -1.882 1.00 0.35 C ATOM 153 CG GLN A 29 9.481 10.277 -2.924 1.00 0.65 C ATOM 154 CD GLN A 29 8.384 10.827 -3.837 1.00 0.51 C ATOM 155 OE1 GLN A 29 7.455 10.123 -4.182 1.00 1.36 O ATOM 156 NE2 GLN A 29 8.450 12.064 -4.245 1.00 1.06 N ATOM 0 H GLN A 29 9.875 10.081 0.287 1.00 0.27 H new ATOM 0 HA GLN A 29 7.718 11.086 -1.347 1.00 0.27 H new ATOM 0 HB2 GLN A 29 9.635 8.770 -1.380 1.00 0.35 H new ATOM 0 HB3 GLN A 29 8.194 8.629 -2.368 1.00 0.35 H new ATOM 0 HG2 GLN A 29 10.002 11.097 -2.429 1.00 0.65 H new ATOM 0 HG3 GLN A 29 10.223 9.737 -3.513 1.00 0.65 H new ATOM 0 HE21 GLN A 29 9.229 12.655 -3.956 1.00 1.06 H new ATOM 0 HE22 GLN A 29 7.722 12.440 -4.853 1.00 1.06 H new ATOM 165 N ILE A 30 7.115 8.437 0.542 1.00 0.15 N ATOM 166 CA ILE A 30 5.969 7.653 1.080 1.00 0.11 C ATOM 167 C ILE A 30 5.081 8.597 1.894 1.00 0.10 C ATOM 168 O ILE A 30 3.877 8.451 1.926 1.00 0.10 O ATOM 169 CB ILE A 30 6.473 6.504 1.959 1.00 0.17 C ATOM 170 CG1 ILE A 30 7.172 5.463 1.073 1.00 0.44 C ATOM 171 CG2 ILE A 30 5.299 5.858 2.691 1.00 0.10 C ATOM 172 CD1 ILE A 30 7.523 4.219 1.897 1.00 0.88 C ATOM 0 H ILE A 30 8.033 8.184 0.907 1.00 0.15 H new ATOM 0 HA ILE A 30 5.397 7.219 0.259 1.00 0.11 H new ATOM 0 HB ILE A 30 7.178 6.889 2.696 1.00 0.17 H new ATOM 0 HG12 ILE A 30 6.523 5.187 0.242 1.00 0.44 H new ATOM 0 HG13 ILE A 30 8.077 5.890 0.642 1.00 0.44 H new ATOM 0 HG21 ILE A 30 5.664 5.042 3.314 1.00 0.10 H new ATOM 0 HG22 ILE A 30 4.807 6.602 3.318 1.00 0.10 H new ATOM 0 HG23 ILE A 30 4.587 5.469 1.964 1.00 0.10 H new ATOM 0 HD11 ILE A 30 8.018 3.487 1.258 1.00 0.88 H new ATOM 0 HD12 ILE A 30 8.190 4.499 2.713 1.00 0.88 H new ATOM 0 HD13 ILE A 30 6.611 3.785 2.307 1.00 0.88 H new ATOM 184 N ARG A 31 5.660 9.580 2.536 1.00 0.12 N ATOM 185 CA ARG A 31 4.837 10.540 3.320 1.00 0.12 C ATOM 186 C ARG A 31 3.782 11.132 2.385 1.00 0.12 C ATOM 187 O ARG A 31 2.689 11.478 2.787 1.00 0.12 O ATOM 188 CB ARG A 31 5.735 11.650 3.865 1.00 0.15 C ATOM 189 CG ARG A 31 4.882 12.681 4.600 1.00 0.32 C ATOM 190 CD ARG A 31 5.559 13.056 5.918 1.00 0.91 C ATOM 191 NE ARG A 31 4.688 13.998 6.674 1.00 0.90 N ATOM 192 CZ ARG A 31 4.770 15.281 6.451 1.00 0.60 C ATOM 193 NH1 ARG A 31 4.315 15.779 5.335 1.00 1.68 N ATOM 194 NH2 ARG A 31 5.308 16.065 7.345 1.00 1.28 N ATOM 0 H ARG A 31 6.665 9.756 2.549 1.00 0.12 H new ATOM 0 HA ARG A 31 4.354 10.038 4.158 1.00 0.12 H new ATOM 0 HB2 ARG A 31 6.480 11.230 4.541 1.00 0.15 H new ATOM 0 HB3 ARG A 31 6.278 12.127 3.049 1.00 0.15 H new ATOM 0 HG2 ARG A 31 4.751 13.568 3.981 1.00 0.32 H new ATOM 0 HG3 ARG A 31 3.888 12.276 4.792 1.00 0.32 H new ATOM 0 HD2 ARG A 31 5.745 12.161 6.511 1.00 0.91 H new ATOM 0 HD3 ARG A 31 6.528 13.516 5.723 1.00 0.91 H new ATOM 0 HE ARG A 31 4.028 13.641 7.365 1.00 0.90 H new ATOM 0 HH11 ARG A 31 3.895 15.166 4.637 1.00 1.68 H new ATOM 0 HH12 ARG A 31 4.379 16.782 5.161 1.00 1.68 H new ATOM 0 HH21 ARG A 31 5.664 15.675 8.217 1.00 1.28 H new ATOM 0 HH22 ARG A 31 5.372 17.068 7.171 1.00 1.28 H new ATOM 208 N TYR A 32 4.109 11.219 1.124 1.00 0.13 N ATOM 209 CA TYR A 32 3.145 11.747 0.129 1.00 0.15 C ATOM 210 C TYR A 32 2.118 10.654 -0.148 1.00 0.14 C ATOM 211 O TYR A 32 0.939 10.908 -0.296 1.00 0.14 O ATOM 212 CB TYR A 32 3.897 12.084 -1.160 1.00 0.19 C ATOM 213 CG TYR A 32 3.403 13.397 -1.712 1.00 0.24 C ATOM 214 CD1 TYR A 32 2.051 13.560 -2.029 1.00 0.59 C ATOM 215 CD2 TYR A 32 4.300 14.452 -1.912 1.00 1.12 C ATOM 216 CE1 TYR A 32 1.595 14.776 -2.545 1.00 0.51 C ATOM 217 CE2 TYR A 32 3.845 15.670 -2.428 1.00 1.19 C ATOM 218 CZ TYR A 32 2.491 15.833 -2.744 1.00 0.38 C ATOM 219 OH TYR A 32 2.042 17.035 -3.253 1.00 0.46 O ATOM 0 H TYR A 32 5.013 10.943 0.741 1.00 0.13 H new ATOM 0 HA TYR A 32 2.652 12.645 0.501 1.00 0.15 H new ATOM 0 HB2 TYR A 32 4.967 12.142 -0.963 1.00 0.19 H new ATOM 0 HB3 TYR A 32 3.751 11.292 -1.895 1.00 0.19 H new ATOM 0 HD1 TYR A 32 1.359 12.746 -1.875 1.00 0.59 H new ATOM 0 HD2 TYR A 32 5.344 14.326 -1.668 1.00 1.12 H new ATOM 0 HE1 TYR A 32 0.551 14.900 -2.790 1.00 0.51 H new ATOM 0 HE2 TYR A 32 4.538 16.484 -2.582 1.00 1.19 H new ATOM 0 HH TYR A 32 2.793 17.660 -3.327 1.00 0.46 H new ATOM 229 N ILE A 33 2.566 9.426 -0.205 1.00 0.14 N ATOM 230 CA ILE A 33 1.632 8.294 -0.457 1.00 0.14 C ATOM 231 C ILE A 33 0.476 8.356 0.546 1.00 0.13 C ATOM 232 O ILE A 33 -0.678 8.273 0.183 1.00 0.19 O ATOM 233 CB ILE A 33 2.374 6.968 -0.294 1.00 0.11 C ATOM 234 CG1 ILE A 33 3.514 6.894 -1.313 1.00 0.15 C ATOM 235 CG2 ILE A 33 1.400 5.813 -0.539 1.00 0.09 C ATOM 236 CD1 ILE A 33 4.292 5.591 -1.116 1.00 0.33 C ATOM 0 H ILE A 33 3.544 9.160 -0.087 1.00 0.14 H new ATOM 0 HA ILE A 33 1.241 8.367 -1.472 1.00 0.14 H new ATOM 0 HB ILE A 33 2.782 6.898 0.714 1.00 0.11 H new ATOM 0 HG12 ILE A 33 3.114 6.941 -2.326 1.00 0.15 H new ATOM 0 HG13 ILE A 33 4.179 7.749 -1.193 1.00 0.15 H new ATOM 0 HG21 ILE A 33 1.924 4.864 -0.424 1.00 0.09 H new ATOM 0 HG22 ILE A 33 0.584 5.866 0.182 1.00 0.09 H new ATOM 0 HG23 ILE A 33 0.997 5.885 -1.549 1.00 0.09 H new ATOM 0 HD11 ILE A 33 5.104 5.539 -1.842 1.00 0.33 H new ATOM 0 HD12 ILE A 33 4.705 5.562 -0.107 1.00 0.33 H new ATOM 0 HD13 ILE A 33 3.623 4.743 -1.258 1.00 0.33 H new ATOM 248 N LEU A 34 0.785 8.500 1.806 1.00 0.11 N ATOM 249 CA LEU A 34 -0.283 8.563 2.845 1.00 0.11 C ATOM 250 C LEU A 34 -1.114 9.834 2.659 1.00 0.13 C ATOM 251 O LEU A 34 -2.322 9.818 2.789 1.00 0.12 O ATOM 252 CB LEU A 34 0.362 8.585 4.230 1.00 0.10 C ATOM 253 CG LEU A 34 0.139 7.241 4.923 1.00 0.22 C ATOM 254 CD1 LEU A 34 1.335 6.324 4.657 1.00 0.30 C ATOM 255 CD2 LEU A 34 -0.006 7.468 6.429 1.00 0.40 C ATOM 0 H LEU A 34 1.737 8.577 2.163 1.00 0.11 H new ATOM 0 HA LEU A 34 -0.930 7.691 2.749 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.429 8.787 4.142 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.066 9.389 4.828 1.00 0.10 H new ATOM 0 HG LEU A 34 -0.767 6.775 4.535 1.00 0.22 H new ATOM 0 HD11 LEU A 34 1.176 5.366 5.151 1.00 0.30 H new ATOM 0 HD12 LEU A 34 1.440 6.166 3.584 1.00 0.30 H new ATOM 0 HD13 LEU A 34 2.242 6.787 5.046 1.00 0.30 H new ATOM 0 HD21 LEU A 34 -0.165 6.512 6.927 1.00 0.40 H new ATOM 0 HD22 LEU A 34 0.901 7.932 6.816 1.00 0.40 H new ATOM 0 HD23 LEU A 34 -0.857 8.122 6.618 1.00 0.40 H new ATOM 267 N ASP A 35 -0.481 10.936 2.357 1.00 0.15 N ATOM 268 CA ASP A 35 -1.243 12.206 2.163 1.00 0.17 C ATOM 269 C ASP A 35 -2.347 11.964 1.141 1.00 0.17 C ATOM 270 O ASP A 35 -3.417 12.535 1.213 1.00 0.17 O ATOM 271 CB ASP A 35 -0.296 13.296 1.659 1.00 0.21 C ATOM 272 CG ASP A 35 -1.040 14.630 1.596 1.00 1.09 C ATOM 273 OD1 ASP A 35 -1.968 14.807 2.367 1.00 1.30 O ATOM 274 OD2 ASP A 35 -0.669 15.454 0.776 1.00 1.94 O ATOM 0 H ASP A 35 0.529 11.013 2.236 1.00 0.15 H new ATOM 0 HA ASP A 35 -1.682 12.528 3.107 1.00 0.17 H new ATOM 0 HB2 ASP A 35 0.565 13.379 2.322 1.00 0.21 H new ATOM 0 HB3 ASP A 35 0.085 13.033 0.672 1.00 0.21 H new ATOM 279 N GLY A 36 -2.100 11.099 0.203 1.00 0.18 N ATOM 280 CA GLY A 36 -3.134 10.789 -0.811 1.00 0.18 C ATOM 281 C GLY A 36 -4.172 9.867 -0.175 1.00 0.20 C ATOM 282 O GLY A 36 -5.360 10.056 -0.323 1.00 0.21 O ATOM 0 H GLY A 36 -1.222 10.592 0.096 1.00 0.18 H new ATOM 0 HA2 GLY A 36 -3.606 11.706 -1.163 1.00 0.18 H new ATOM 0 HA3 GLY A 36 -2.682 10.309 -1.679 1.00 0.18 H new ATOM 286 N ILE A 37 -3.720 8.872 0.541 1.00 0.21 N ATOM 287 CA ILE A 37 -4.658 7.922 1.204 1.00 0.23 C ATOM 288 C ILE A 37 -5.627 8.684 2.108 1.00 0.21 C ATOM 289 O ILE A 37 -6.705 8.210 2.407 1.00 0.22 O ATOM 290 CB ILE A 37 -3.864 6.926 2.051 1.00 0.25 C ATOM 291 CG1 ILE A 37 -2.893 6.156 1.155 1.00 0.26 C ATOM 292 CG2 ILE A 37 -4.826 5.945 2.725 1.00 0.24 C ATOM 293 CD1 ILE A 37 -3.676 5.349 0.119 1.00 0.21 C ATOM 0 H ILE A 37 -2.731 8.676 0.696 1.00 0.21 H new ATOM 0 HA ILE A 37 -5.222 7.391 0.437 1.00 0.23 H new ATOM 0 HB ILE A 37 -3.304 7.465 2.815 1.00 0.25 H new ATOM 0 HG12 ILE A 37 -2.217 6.850 0.655 1.00 0.26 H new ATOM 0 HG13 ILE A 37 -2.277 5.490 1.759 1.00 0.26 H new ATOM 0 HG21 ILE A 37 -4.259 5.236 3.328 1.00 0.24 H new ATOM 0 HG22 ILE A 37 -5.517 6.494 3.364 1.00 0.24 H new ATOM 0 HG23 ILE A 37 -5.388 5.405 1.963 1.00 0.24 H new ATOM 0 HD11 ILE A 37 -2.981 4.802 -0.517 1.00 0.21 H new ATOM 0 HD12 ILE A 37 -4.333 4.644 0.628 1.00 0.21 H new ATOM 0 HD13 ILE A 37 -4.273 6.025 -0.493 1.00 0.21 H new ATOM 305 N SER A 38 -5.271 9.865 2.538 1.00 0.20 N ATOM 306 CA SER A 38 -6.200 10.636 3.401 1.00 0.19 C ATOM 307 C SER A 38 -7.399 10.988 2.545 1.00 0.19 C ATOM 308 O SER A 38 -8.540 10.846 2.942 1.00 0.19 O ATOM 309 CB SER A 38 -5.520 11.916 3.895 1.00 0.18 C ATOM 310 OG SER A 38 -4.534 11.582 4.865 1.00 1.17 O ATOM 0 H SER A 38 -4.384 10.323 2.329 1.00 0.20 H new ATOM 0 HA SER A 38 -6.495 10.054 4.274 1.00 0.19 H new ATOM 0 HB2 SER A 38 -5.060 12.443 3.059 1.00 0.18 H new ATOM 0 HB3 SER A 38 -6.259 12.590 4.328 1.00 0.18 H new ATOM 0 HG SER A 38 -4.096 12.400 5.181 1.00 1.17 H new ATOM 316 N ALA A 39 -7.137 11.416 1.345 1.00 0.20 N ATOM 317 CA ALA A 39 -8.242 11.750 0.425 1.00 0.20 C ATOM 318 C ALA A 39 -8.869 10.448 -0.075 1.00 0.15 C ATOM 319 O ALA A 39 -9.982 10.432 -0.563 1.00 0.12 O ATOM 320 CB ALA A 39 -7.705 12.556 -0.761 1.00 0.27 C ATOM 0 H ALA A 39 -6.200 11.548 0.965 1.00 0.20 H new ATOM 0 HA ALA A 39 -8.990 12.349 0.944 1.00 0.20 H new ATOM 0 HB1 ALA A 39 -8.525 12.800 -1.437 1.00 0.27 H new ATOM 0 HB2 ALA A 39 -7.248 13.477 -0.398 1.00 0.27 H new ATOM 0 HB3 ALA A 39 -6.959 11.966 -1.294 1.00 0.27 H new ATOM 326 N LEU A 40 -8.166 9.347 0.048 1.00 0.16 N ATOM 327 CA LEU A 40 -8.732 8.054 -0.416 1.00 0.13 C ATOM 328 C LEU A 40 -9.345 7.291 0.760 1.00 0.15 C ATOM 329 O LEU A 40 -9.899 6.225 0.587 1.00 0.21 O ATOM 330 CB LEU A 40 -7.639 7.186 -1.056 1.00 0.15 C ATOM 331 CG LEU A 40 -6.881 7.962 -2.145 1.00 0.23 C ATOM 332 CD1 LEU A 40 -6.126 6.973 -3.030 1.00 0.84 C ATOM 333 CD2 LEU A 40 -7.853 8.760 -3.016 1.00 0.38 C ATOM 0 H LEU A 40 -7.229 9.294 0.449 1.00 0.16 H new ATOM 0 HA LEU A 40 -9.503 8.270 -1.156 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -6.940 6.853 -0.289 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -8.088 6.292 -1.488 1.00 0.15 H new ATOM 0 HG LEU A 40 -6.188 8.652 -1.663 1.00 0.23 H new ATOM 0 HD11 LEU A 40 -5.586 7.517 -3.805 1.00 0.84 H new ATOM 0 HD12 LEU A 40 -5.418 6.408 -2.423 1.00 0.84 H new ATOM 0 HD13 LEU A 40 -6.834 6.287 -3.495 1.00 0.84 H new ATOM 0 HD21 LEU A 40 -7.296 9.302 -3.780 1.00 0.38 H new ATOM 0 HD22 LEU A 40 -8.556 8.079 -3.494 1.00 0.38 H new ATOM 0 HD23 LEU A 40 -8.400 9.469 -2.395 1.00 0.38 H new ATOM 345 N ARG A 41 -9.256 7.815 1.954 1.00 0.14 N ATOM 346 CA ARG A 41 -9.849 7.099 3.116 1.00 0.20 C ATOM 347 C ARG A 41 -10.597 8.090 4.008 1.00 0.41 C ATOM 348 O ARG A 41 -10.988 7.767 5.107 1.00 0.70 O ATOM 349 CB ARG A 41 -8.752 6.416 3.932 1.00 0.26 C ATOM 350 CG ARG A 41 -9.387 5.347 4.825 1.00 0.24 C ATOM 351 CD ARG A 41 -8.294 4.601 5.592 1.00 0.41 C ATOM 352 NE ARG A 41 -8.837 4.120 6.895 1.00 0.89 N ATOM 353 CZ ARG A 41 -8.308 4.530 8.015 1.00 0.57 C ATOM 354 NH1 ARG A 41 -8.572 5.729 8.460 1.00 0.88 N ATOM 355 NH2 ARG A 41 -7.518 3.742 8.690 1.00 1.62 N ATOM 0 H ARG A 41 -8.801 8.702 2.172 1.00 0.14 H new ATOM 0 HA ARG A 41 -10.542 6.345 2.744 1.00 0.20 H new ATOM 0 HB2 ARG A 41 -8.016 5.963 3.268 1.00 0.26 H new ATOM 0 HB3 ARG A 41 -8.224 7.150 4.541 1.00 0.26 H new ATOM 0 HG2 ARG A 41 -10.084 5.810 5.524 1.00 0.24 H new ATOM 0 HG3 ARG A 41 -9.962 4.647 4.218 1.00 0.24 H new ATOM 0 HD2 ARG A 41 -7.933 3.758 5.003 1.00 0.41 H new ATOM 0 HD3 ARG A 41 -7.442 5.259 5.762 1.00 0.41 H new ATOM 0 HE ARG A 41 -9.623 3.470 6.911 1.00 0.89 H new ATOM 0 HH11 ARG A 41 -9.191 6.344 7.932 1.00 0.88 H new ATOM 0 HH12 ARG A 41 -8.159 6.050 9.335 1.00 0.88 H new ATOM 0 HH21 ARG A 41 -7.314 2.805 8.342 1.00 1.62 H new ATOM 0 HH22 ARG A 41 -7.104 4.063 9.566 1.00 1.62 H new ATOM 369 N LYS A 42 -10.807 9.292 3.546 1.00 0.27 N ATOM 370 CA LYS A 42 -11.544 10.283 4.373 1.00 0.46 C ATOM 371 C LYS A 42 -13.033 10.166 4.052 1.00 0.54 C ATOM 372 O LYS A 42 -13.876 10.137 4.931 1.00 0.70 O ATOM 373 CB LYS A 42 -11.048 11.690 4.026 1.00 0.48 C ATOM 374 CG LYS A 42 -11.841 12.733 4.817 1.00 0.36 C ATOM 375 CD LYS A 42 -12.088 13.957 3.933 1.00 1.20 C ATOM 376 CE LYS A 42 -12.511 15.140 4.805 1.00 1.54 C ATOM 377 NZ LYS A 42 -12.405 16.400 4.015 1.00 2.58 N ATOM 0 H LYS A 42 -10.500 9.628 2.633 1.00 0.27 H new ATOM 0 HA LYS A 42 -11.378 10.096 5.434 1.00 0.46 H new ATOM 0 HB2 LYS A 42 -9.986 11.777 4.256 1.00 0.48 H new ATOM 0 HB3 LYS A 42 -11.159 11.871 2.957 1.00 0.48 H new ATOM 0 HG2 LYS A 42 -12.790 12.311 5.147 1.00 0.36 H new ATOM 0 HG3 LYS A 42 -11.291 13.022 5.713 1.00 0.36 H new ATOM 0 HD2 LYS A 42 -11.184 14.206 3.378 1.00 1.20 H new ATOM 0 HD3 LYS A 42 -12.863 13.738 3.198 1.00 1.20 H new ATOM 0 HE2 LYS A 42 -13.534 15.001 5.154 1.00 1.54 H new ATOM 0 HE3 LYS A 42 -11.878 15.198 5.690 1.00 1.54 H new ATOM 0 HZ1 LYS A 42 -12.692 17.206 4.606 1.00 2.58 H new ATOM 0 HZ2 LYS A 42 -11.422 16.533 3.703 1.00 2.58 H new ATOM 0 HZ3 LYS A 42 -13.027 16.342 3.184 1.00 2.58 H new ATOM 391 N GLU A 43 -13.355 10.086 2.791 1.00 0.48 N ATOM 392 CA GLU A 43 -14.776 9.964 2.381 1.00 0.65 C ATOM 393 C GLU A 43 -15.200 8.502 2.464 1.00 0.65 C ATOM 394 O GLU A 43 -16.268 8.177 2.960 1.00 0.72 O ATOM 395 CB GLU A 43 -14.918 10.449 0.936 1.00 0.69 C ATOM 396 CG GLU A 43 -16.397 10.460 0.543 1.00 0.77 C ATOM 397 CD GLU A 43 -16.524 10.745 -0.954 1.00 0.41 C ATOM 398 OE1 GLU A 43 -16.111 11.815 -1.370 1.00 0.96 O ATOM 399 OE2 GLU A 43 -17.031 9.890 -1.661 1.00 1.48 O ATOM 0 H GLU A 43 -12.685 10.100 2.022 1.00 0.48 H new ATOM 0 HA GLU A 43 -15.405 10.564 3.038 1.00 0.65 H new ATOM 0 HB2 GLU A 43 -14.496 11.449 0.834 1.00 0.69 H new ATOM 0 HB3 GLU A 43 -14.358 9.797 0.266 1.00 0.69 H new ATOM 0 HG2 GLU A 43 -16.855 9.500 0.782 1.00 0.77 H new ATOM 0 HG3 GLU A 43 -16.931 11.219 1.115 1.00 0.77 H new ATOM 406 N THR A 44 -14.363 7.615 1.980 1.00 0.58 N ATOM 407 CA THR A 44 -14.697 6.163 2.004 1.00 0.57 C ATOM 408 C THR A 44 -14.400 5.540 3.374 1.00 0.56 C ATOM 409 O THR A 44 -14.200 4.347 3.489 1.00 0.61 O ATOM 410 CB THR A 44 -13.885 5.437 0.930 1.00 0.52 C ATOM 411 OG1 THR A 44 -14.227 4.058 0.931 1.00 0.43 O ATOM 412 CG2 THR A 44 -12.395 5.596 1.223 1.00 0.69 C ATOM 0 H THR A 44 -13.458 7.840 1.568 1.00 0.58 H new ATOM 0 HA THR A 44 -15.764 6.058 1.807 1.00 0.57 H new ATOM 0 HB THR A 44 -14.108 5.865 -0.047 1.00 0.52 H new ATOM 0 HG1 THR A 44 -14.103 3.691 1.831 1.00 0.43 H new ATOM 0 HG21 THR A 44 -11.816 5.079 0.458 1.00 0.69 H new ATOM 0 HG22 THR A 44 -12.135 6.654 1.221 1.00 0.69 H new ATOM 0 HG23 THR A 44 -12.169 5.169 2.200 1.00 0.69 H new ATOM 420 N CYS A 45 -14.406 6.318 4.416 1.00 0.73 N ATOM 421 CA CYS A 45 -14.170 5.758 5.767 1.00 0.71 C ATOM 422 C CYS A 45 -15.196 6.391 6.697 1.00 0.66 C ATOM 423 O CYS A 45 -15.886 5.719 7.437 1.00 0.53 O ATOM 424 CB CYS A 45 -12.762 6.097 6.259 1.00 0.84 C ATOM 425 SG CYS A 45 -12.526 5.438 7.933 1.00 1.62 S ATOM 0 H CYS A 45 -14.566 7.325 4.387 1.00 0.73 H new ATOM 0 HA CYS A 45 -14.263 4.672 5.745 1.00 0.71 H new ATOM 0 HB2 CYS A 45 -12.018 5.675 5.583 1.00 0.84 H new ATOM 0 HB3 CYS A 45 -12.616 7.177 6.259 1.00 0.84 H new ATOM 0 HG CYS A 45 -11.328 5.726 8.348 1.00 1.62 H new ATOM 430 N ASN A 46 -15.318 7.692 6.638 1.00 0.80 N ATOM 431 CA ASN A 46 -16.319 8.376 7.492 1.00 0.81 C ATOM 432 C ASN A 46 -17.710 8.008 6.981 1.00 0.75 C ATOM 433 O ASN A 46 -18.521 7.460 7.700 1.00 0.70 O ATOM 434 CB ASN A 46 -16.121 9.891 7.406 1.00 0.91 C ATOM 435 CG ASN A 46 -15.439 10.388 8.681 1.00 1.37 C ATOM 436 OD1 ASN A 46 -14.579 9.617 9.289 1.00 1.64 O flip ATOM 437 ND2 ASN A 46 -15.690 11.490 9.129 1.00 2.51 N flip ATOM 0 H ASN A 46 -14.767 8.304 6.036 1.00 0.80 H new ATOM 0 HA ASN A 46 -16.204 8.067 8.531 1.00 0.81 H new ATOM 0 HB2 ASN A 46 -15.515 10.141 6.535 1.00 0.91 H new ATOM 0 HB3 ASN A 46 -17.083 10.388 7.278 1.00 0.91 H new ATOM 0 HD21 ASN A 46 -16.362 12.093 8.654 1.00 2.51 H new ATOM 0 HD22 ASN A 46 -15.229 11.812 9.980 1.00 2.51 H new ATOM 444 N LYS A 47 -17.988 8.285 5.733 1.00 0.80 N ATOM 445 CA LYS A 47 -19.318 7.924 5.180 1.00 0.74 C ATOM 446 C LYS A 47 -19.225 6.550 4.512 1.00 0.58 C ATOM 447 O LYS A 47 -19.842 6.302 3.495 1.00 0.58 O ATOM 448 CB LYS A 47 -19.752 8.971 4.153 1.00 0.92 C ATOM 449 CG LYS A 47 -20.336 10.186 4.879 1.00 1.55 C ATOM 450 CD LYS A 47 -21.402 10.844 4.000 1.00 1.31 C ATOM 451 CE LYS A 47 -22.737 10.122 4.189 1.00 1.59 C ATOM 452 NZ LYS A 47 -23.853 11.024 3.790 1.00 1.95 N ATOM 0 H LYS A 47 -17.353 8.743 5.080 1.00 0.80 H new ATOM 0 HA LYS A 47 -20.053 7.891 5.984 1.00 0.74 H new ATOM 0 HB2 LYS A 47 -18.900 9.273 3.543 1.00 0.92 H new ATOM 0 HB3 LYS A 47 -20.494 8.547 3.476 1.00 0.92 H new ATOM 0 HG2 LYS A 47 -20.772 9.879 5.830 1.00 1.55 H new ATOM 0 HG3 LYS A 47 -19.546 10.901 5.107 1.00 1.55 H new ATOM 0 HD2 LYS A 47 -21.506 11.897 4.263 1.00 1.31 H new ATOM 0 HD3 LYS A 47 -21.100 10.805 2.953 1.00 1.31 H new ATOM 0 HE2 LYS A 47 -22.758 9.213 3.588 1.00 1.59 H new ATOM 0 HE3 LYS A 47 -22.854 9.820 5.230 1.00 1.59 H new ATOM 0 HZ1 LYS A 47 -24.760 10.532 3.919 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -23.836 11.880 4.381 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -23.743 11.291 2.791 1.00 1.95 H new ATOM 466 N SER A 48 -18.443 5.660 5.060 1.00 0.74 N ATOM 467 CA SER A 48 -18.298 4.316 4.434 1.00 0.57 C ATOM 468 C SER A 48 -19.133 3.273 5.182 1.00 0.43 C ATOM 469 O SER A 48 -19.178 2.124 4.798 1.00 0.55 O ATOM 470 CB SER A 48 -16.829 3.899 4.473 1.00 0.92 C ATOM 471 OG SER A 48 -16.432 3.462 3.181 1.00 0.60 O ATOM 0 H SER A 48 -17.900 5.805 5.911 1.00 0.74 H new ATOM 0 HA SER A 48 -18.650 4.373 3.404 1.00 0.57 H new ATOM 0 HB2 SER A 48 -16.209 4.737 4.793 1.00 0.92 H new ATOM 0 HB3 SER A 48 -16.685 3.100 5.200 1.00 0.92 H new ATOM 0 HG SER A 48 -15.462 3.320 3.167 1.00 0.60 H new ATOM 477 N ASN A 49 -19.779 3.648 6.257 1.00 0.74 N ATOM 478 CA ASN A 49 -20.601 2.663 7.033 1.00 0.73 C ATOM 479 C ASN A 49 -19.824 1.352 7.237 1.00 0.72 C ATOM 480 O ASN A 49 -20.401 0.306 7.455 1.00 0.93 O ATOM 481 CB ASN A 49 -21.894 2.369 6.268 1.00 0.73 C ATOM 482 CG ASN A 49 -22.981 1.940 7.255 1.00 1.21 C ATOM 483 OD1 ASN A 49 -24.173 2.463 7.162 1.00 2.13 O flip ATOM 484 ND2 ASN A 49 -22.744 1.120 8.120 1.00 1.50 N flip ATOM 0 H ASN A 49 -19.774 4.596 6.634 1.00 0.74 H new ATOM 0 HA ASN A 49 -20.831 3.091 8.009 1.00 0.73 H new ATOM 0 HB2 ASN A 49 -22.214 3.255 5.719 1.00 0.73 H new ATOM 0 HB3 ASN A 49 -21.724 1.583 5.533 1.00 0.73 H new ATOM 0 HD21 ASN A 49 -21.813 0.711 8.193 1.00 1.50 H new ATOM 0 HD22 ASN A 49 -23.477 0.841 8.773 1.00 1.50 H new ATOM 491 N MET A 50 -18.521 1.403 7.162 1.00 0.87 N ATOM 492 CA MET A 50 -17.708 0.170 7.344 1.00 0.82 C ATOM 493 C MET A 50 -16.266 0.571 7.650 1.00 0.75 C ATOM 494 O MET A 50 -15.328 -0.116 7.297 1.00 0.54 O ATOM 495 CB MET A 50 -17.737 -0.650 6.054 1.00 0.71 C ATOM 496 CG MET A 50 -18.681 -1.840 6.223 1.00 1.03 C ATOM 497 SD MET A 50 -17.980 -3.287 5.394 1.00 1.03 S ATOM 498 CE MET A 50 -18.646 -2.946 3.746 1.00 0.39 C ATOM 0 H MET A 50 -17.984 2.251 6.981 1.00 0.87 H new ATOM 0 HA MET A 50 -18.113 -0.424 8.163 1.00 0.82 H new ATOM 0 HB2 MET A 50 -18.067 -0.027 5.223 1.00 0.71 H new ATOM 0 HB3 MET A 50 -16.734 -1.000 5.812 1.00 0.71 H new ATOM 0 HG2 MET A 50 -18.831 -2.051 7.282 1.00 1.03 H new ATOM 0 HG3 MET A 50 -19.659 -1.605 5.803 1.00 1.03 H new ATOM 0 HE1 MET A 50 -18.331 -3.730 3.057 1.00 0.39 H new ATOM 0 HE2 MET A 50 -19.735 -2.919 3.792 1.00 0.39 H new ATOM 0 HE3 MET A 50 -18.274 -1.984 3.395 1.00 0.39 H new ATOM 660 N ASN A 62 -9.979 -8.411 5.937 1.00 0.62 N ATOM 661 CA ASN A 62 -8.519 -8.693 5.829 1.00 0.61 C ATOM 662 C ASN A 62 -8.215 -9.349 4.482 1.00 0.43 C ATOM 663 O ASN A 62 -8.450 -10.524 4.280 1.00 0.63 O ATOM 664 CB ASN A 62 -8.084 -9.617 6.969 1.00 0.68 C ATOM 665 CG ASN A 62 -8.600 -9.059 8.297 1.00 0.75 C ATOM 666 OD1 ASN A 62 -8.680 -7.860 8.471 1.00 1.24 O ATOM 667 ND2 ASN A 62 -8.953 -9.882 9.244 1.00 1.17 N ATOM 0 HA ASN A 62 -7.968 -7.755 5.900 1.00 0.61 H new ATOM 0 HB2 ASN A 62 -8.474 -10.622 6.807 1.00 0.68 H new ATOM 0 HB3 ASN A 62 -6.997 -9.697 6.993 1.00 0.68 H new ATOM 0 HD21 ASN A 62 -9.297 -9.519 10.133 1.00 1.17 H new ATOM 0 HD22 ASN A 62 -8.885 -10.889 9.096 1.00 1.17 H new ATOM 674 N LEU A 63 -7.686 -8.591 3.566 1.00 0.74 N ATOM 675 CA LEU A 63 -7.346 -9.141 2.228 1.00 0.57 C ATOM 676 C LEU A 63 -6.121 -10.051 2.362 1.00 0.60 C ATOM 677 O LEU A 63 -5.746 -10.439 3.452 1.00 0.80 O ATOM 678 CB LEU A 63 -7.029 -7.976 1.289 1.00 0.51 C ATOM 679 CG LEU A 63 -8.256 -7.653 0.437 1.00 0.47 C ATOM 680 CD1 LEU A 63 -8.045 -6.317 -0.277 1.00 0.58 C ATOM 681 CD2 LEU A 63 -8.457 -8.758 -0.602 1.00 0.93 C ATOM 0 H LEU A 63 -7.472 -7.601 3.689 1.00 0.74 H new ATOM 0 HA LEU A 63 -8.180 -9.717 1.827 1.00 0.57 H new ATOM 0 HB2 LEU A 63 -6.735 -7.100 1.867 1.00 0.51 H new ATOM 0 HB3 LEU A 63 -6.186 -8.232 0.647 1.00 0.51 H new ATOM 0 HG LEU A 63 -9.136 -7.588 1.077 1.00 0.47 H new ATOM 0 HD11 LEU A 63 -8.920 -6.087 -0.885 1.00 0.58 H new ATOM 0 HD12 LEU A 63 -7.899 -5.529 0.462 1.00 0.58 H new ATOM 0 HD13 LEU A 63 -7.166 -6.382 -0.918 1.00 0.58 H new ATOM 0 HD21 LEU A 63 -9.332 -8.530 -1.211 1.00 0.93 H new ATOM 0 HD22 LEU A 63 -7.576 -8.821 -1.241 1.00 0.93 H new ATOM 0 HD23 LEU A 63 -8.606 -9.711 -0.095 1.00 0.93 H new ATOM 693 N ASN A 64 -5.487 -10.389 1.273 1.00 0.53 N ATOM 694 CA ASN A 64 -4.285 -11.263 1.360 1.00 0.59 C ATOM 695 C ASN A 64 -3.055 -10.459 0.944 1.00 0.60 C ATOM 696 O ASN A 64 -2.052 -11.004 0.528 1.00 0.92 O ATOM 697 CB ASN A 64 -4.452 -12.468 0.431 1.00 0.62 C ATOM 698 CG ASN A 64 -4.873 -11.985 -0.958 1.00 1.26 C ATOM 699 OD1 ASN A 64 -4.227 -11.137 -1.542 1.00 2.67 O ATOM 700 ND2 ASN A 64 -5.937 -12.493 -1.518 1.00 1.35 N ATOM 0 H ASN A 64 -5.748 -10.099 0.331 1.00 0.53 H new ATOM 0 HA ASN A 64 -4.164 -11.619 2.383 1.00 0.59 H new ATOM 0 HB2 ASN A 64 -3.517 -13.024 0.367 1.00 0.62 H new ATOM 0 HB3 ASN A 64 -5.201 -13.150 0.833 1.00 0.62 H new ATOM 0 HD21 ASN A 64 -6.225 -12.178 -2.444 1.00 1.35 H new ATOM 0 HD22 ASN A 64 -6.480 -13.205 -1.029 1.00 1.35 H new ATOM 707 N LEU A 65 -3.130 -9.162 1.053 1.00 0.27 N ATOM 708 CA LEU A 65 -1.979 -8.312 0.665 1.00 0.24 C ATOM 709 C LEU A 65 -1.037 -7.968 1.855 1.00 0.24 C ATOM 710 O LEU A 65 0.066 -7.526 1.605 1.00 0.97 O ATOM 711 CB LEU A 65 -2.506 -7.020 0.039 1.00 0.30 C ATOM 712 CG LEU A 65 -3.201 -6.165 1.097 1.00 0.28 C ATOM 713 CD1 LEU A 65 -2.528 -4.798 1.168 1.00 0.24 C ATOM 714 CD2 LEU A 65 -4.673 -5.980 0.722 1.00 0.47 C ATOM 0 H LEU A 65 -3.946 -8.655 1.397 1.00 0.27 H new ATOM 0 HA LEU A 65 -1.383 -8.881 -0.048 1.00 0.24 H new ATOM 0 HB2 LEU A 65 -1.683 -6.462 -0.407 1.00 0.30 H new ATOM 0 HB3 LEU A 65 -3.204 -7.255 -0.765 1.00 0.30 H new ATOM 0 HG LEU A 65 -3.130 -6.662 2.065 1.00 0.28 H new ATOM 0 HD11 LEU A 65 -3.023 -4.187 1.923 1.00 0.24 H new ATOM 0 HD12 LEU A 65 -1.478 -4.923 1.434 1.00 0.24 H new ATOM 0 HD13 LEU A 65 -2.601 -4.306 0.198 1.00 0.24 H new ATOM 0 HD21 LEU A 65 -5.167 -5.370 1.478 1.00 0.47 H new ATOM 0 HD22 LEU A 65 -4.742 -5.485 -0.246 1.00 0.47 H new ATOM 0 HD23 LEU A 65 -5.160 -6.954 0.667 1.00 0.47 H new ATOM 726 N PRO A 66 -1.444 -8.153 3.112 1.00 0.99 N ATOM 727 CA PRO A 66 -0.556 -7.822 4.244 1.00 1.20 C ATOM 728 C PRO A 66 0.487 -8.922 4.445 1.00 1.09 C ATOM 729 O PRO A 66 0.309 -10.047 4.020 1.00 1.83 O ATOM 730 CB PRO A 66 -1.498 -7.744 5.446 1.00 2.47 C ATOM 731 CG PRO A 66 -2.745 -8.573 5.075 1.00 2.97 C ATOM 732 CD PRO A 66 -2.761 -8.687 3.540 1.00 2.04 C ATOM 0 HA PRO A 66 -0.001 -6.897 4.088 1.00 1.20 H new ATOM 0 HB2 PRO A 66 -1.019 -8.141 6.341 1.00 2.47 H new ATOM 0 HB3 PRO A 66 -1.769 -6.710 5.661 1.00 2.47 H new ATOM 0 HG2 PRO A 66 -2.704 -9.560 5.536 1.00 2.97 H new ATOM 0 HG3 PRO A 66 -3.653 -8.089 5.436 1.00 2.97 H new ATOM 0 HD2 PRO A 66 -2.893 -9.721 3.220 1.00 2.04 H new ATOM 0 HD3 PRO A 66 -3.581 -8.113 3.108 1.00 2.04 H new ATOM 740 N LYS A 67 1.574 -8.605 5.091 1.00 0.85 N ATOM 741 CA LYS A 67 2.631 -9.627 5.324 1.00 1.58 C ATOM 742 C LYS A 67 3.822 -8.970 6.020 1.00 1.28 C ATOM 743 O LYS A 67 4.958 -9.124 5.617 1.00 1.48 O ATOM 744 CB LYS A 67 3.071 -10.218 3.982 1.00 2.14 C ATOM 745 CG LYS A 67 2.586 -11.666 3.877 1.00 2.74 C ATOM 746 CD LYS A 67 3.751 -12.565 3.459 1.00 3.56 C ATOM 747 CE LYS A 67 3.329 -14.030 3.578 1.00 4.02 C ATOM 748 NZ LYS A 67 4.512 -14.858 3.943 1.00 5.04 N ATOM 0 H LYS A 67 1.776 -7.679 5.469 1.00 0.85 H new ATOM 0 HA LYS A 67 2.241 -10.425 5.955 1.00 1.58 H new ATOM 0 HB2 LYS A 67 2.664 -9.627 3.162 1.00 2.14 H new ATOM 0 HB3 LYS A 67 4.157 -10.180 3.894 1.00 2.14 H new ATOM 0 HG2 LYS A 67 2.183 -11.996 4.835 1.00 2.74 H new ATOM 0 HG3 LYS A 67 1.778 -11.738 3.149 1.00 2.74 H new ATOM 0 HD2 LYS A 67 4.047 -12.342 2.434 1.00 3.56 H new ATOM 0 HD3 LYS A 67 4.618 -12.372 4.090 1.00 3.56 H new ATOM 0 HE2 LYS A 67 2.551 -14.135 4.334 1.00 4.02 H new ATOM 0 HE3 LYS A 67 2.906 -14.376 2.635 1.00 4.02 H new ATOM 0 HZ1 LYS A 67 4.226 -15.855 4.024 1.00 5.04 H new ATOM 0 HZ2 LYS A 67 5.241 -14.766 3.207 1.00 5.04 H new ATOM 0 HZ3 LYS A 67 4.896 -14.533 4.853 1.00 5.04 H new ATOM 762 N MET A 68 3.566 -8.240 7.068 1.00 0.87 N ATOM 763 CA MET A 68 4.670 -7.566 7.807 1.00 0.56 C ATOM 764 C MET A 68 4.116 -7.005 9.117 1.00 0.67 C ATOM 765 O MET A 68 3.011 -6.503 9.167 1.00 1.48 O ATOM 766 CB MET A 68 5.238 -6.427 6.956 1.00 1.24 C ATOM 767 CG MET A 68 6.344 -5.709 7.735 1.00 1.07 C ATOM 768 SD MET A 68 7.490 -4.923 6.574 1.00 2.04 S ATOM 769 CE MET A 68 7.192 -3.213 7.081 1.00 0.66 C ATOM 0 H MET A 68 2.633 -8.080 7.448 1.00 0.87 H new ATOM 0 HA MET A 68 5.465 -8.281 8.019 1.00 0.56 H new ATOM 0 HB2 MET A 68 5.635 -6.821 6.020 1.00 1.24 H new ATOM 0 HB3 MET A 68 4.447 -5.724 6.696 1.00 1.24 H new ATOM 0 HG2 MET A 68 5.909 -4.960 8.397 1.00 1.07 H new ATOM 0 HG3 MET A 68 6.879 -6.419 8.366 1.00 1.07 H new ATOM 0 HE1 MET A 68 8.111 -2.636 6.973 1.00 0.66 H new ATOM 0 HE2 MET A 68 6.414 -2.778 6.453 1.00 0.66 H new ATOM 0 HE3 MET A 68 6.871 -3.193 8.123 1.00 0.66 H new ATOM 779 N ALA A 69 4.867 -7.089 10.181 1.00 0.81 N ATOM 780 CA ALA A 69 4.364 -6.563 11.481 1.00 1.83 C ATOM 781 C ALA A 69 5.473 -6.631 12.534 1.00 1.67 C ATOM 782 O ALA A 69 6.171 -5.666 12.778 1.00 2.16 O ATOM 783 CB ALA A 69 3.173 -7.408 11.938 1.00 2.81 C ATOM 0 H ALA A 69 5.802 -7.497 10.207 1.00 0.81 H new ATOM 0 HA ALA A 69 4.054 -5.525 11.356 1.00 1.83 H new ATOM 0 HB1 ALA A 69 2.801 -7.028 12.889 1.00 2.81 H new ATOM 0 HB2 ALA A 69 2.381 -7.355 11.191 1.00 2.81 H new ATOM 0 HB3 ALA A 69 3.488 -8.444 12.060 1.00 2.81 H new ATOM 789 N GLU A 70 5.637 -7.760 13.171 1.00 1.06 N ATOM 790 CA GLU A 70 6.695 -7.880 14.213 1.00 0.95 C ATOM 791 C GLU A 70 7.677 -8.995 13.845 1.00 0.96 C ATOM 792 O GLU A 70 8.752 -9.092 14.404 1.00 1.20 O ATOM 793 CB GLU A 70 6.044 -8.199 15.560 1.00 1.18 C ATOM 794 CG GLU A 70 5.280 -9.521 15.456 1.00 1.32 C ATOM 795 CD GLU A 70 5.910 -10.549 16.397 1.00 1.56 C ATOM 796 OE1 GLU A 70 5.539 -10.563 17.560 1.00 1.47 O ATOM 797 OE2 GLU A 70 6.752 -11.303 15.940 1.00 2.89 O ATOM 0 H GLU A 70 5.084 -8.603 13.014 1.00 1.06 H new ATOM 0 HA GLU A 70 7.239 -6.938 14.278 1.00 0.95 H new ATOM 0 HB2 GLU A 70 6.805 -8.267 16.337 1.00 1.18 H new ATOM 0 HB3 GLU A 70 5.365 -7.396 15.848 1.00 1.18 H new ATOM 0 HG2 GLU A 70 4.232 -9.369 15.715 1.00 1.32 H new ATOM 0 HG3 GLU A 70 5.305 -9.888 14.430 1.00 1.32 H new ATOM 804 N LYS A 71 7.326 -9.839 12.916 1.00 0.97 N ATOM 805 CA LYS A 71 8.249 -10.939 12.528 1.00 1.02 C ATOM 806 C LYS A 71 9.252 -10.438 11.478 1.00 0.76 C ATOM 807 O LYS A 71 10.204 -11.117 11.146 1.00 0.89 O ATOM 808 CB LYS A 71 7.431 -12.102 11.959 1.00 1.23 C ATOM 809 CG LYS A 71 6.793 -11.692 10.629 1.00 2.70 C ATOM 810 CD LYS A 71 5.354 -12.207 10.571 1.00 3.84 C ATOM 811 CE LYS A 71 4.578 -11.432 9.505 1.00 4.89 C ATOM 812 NZ LYS A 71 4.452 -12.267 8.276 1.00 5.24 N ATOM 0 H LYS A 71 6.441 -9.814 12.410 1.00 0.97 H new ATOM 0 HA LYS A 71 8.802 -11.277 13.404 1.00 1.02 H new ATOM 0 HB2 LYS A 71 8.073 -12.971 11.812 1.00 1.23 H new ATOM 0 HB3 LYS A 71 6.657 -12.394 12.668 1.00 1.23 H new ATOM 0 HG2 LYS A 71 6.806 -10.607 10.527 1.00 2.70 H new ATOM 0 HG3 LYS A 71 7.369 -12.098 9.797 1.00 2.70 H new ATOM 0 HD2 LYS A 71 5.347 -13.272 10.339 1.00 3.84 H new ATOM 0 HD3 LYS A 71 4.875 -12.089 11.543 1.00 3.84 H new ATOM 0 HE2 LYS A 71 3.590 -11.167 9.880 1.00 4.89 H new ATOM 0 HE3 LYS A 71 5.091 -10.499 9.273 1.00 4.89 H new ATOM 0 HZ1 LYS A 71 3.924 -11.740 7.551 1.00 5.24 H new ATOM 0 HZ2 LYS A 71 5.399 -12.498 7.915 1.00 5.24 H new ATOM 0 HZ3 LYS A 71 3.944 -13.146 8.504 1.00 5.24 H new ATOM 826 N ASP A 72 9.048 -9.260 10.948 1.00 0.74 N ATOM 827 CA ASP A 72 9.993 -8.734 9.922 1.00 0.73 C ATOM 828 C ASP A 72 11.123 -7.966 10.609 1.00 1.14 C ATOM 829 O ASP A 72 12.253 -7.979 10.164 1.00 1.48 O ATOM 830 CB ASP A 72 9.245 -7.798 8.971 1.00 0.87 C ATOM 831 CG ASP A 72 9.904 -7.832 7.588 1.00 1.34 C ATOM 832 OD1 ASP A 72 10.742 -8.694 7.371 1.00 1.42 O ATOM 833 OD2 ASP A 72 9.559 -6.996 6.771 1.00 1.92 O ATOM 0 H ASP A 72 8.270 -8.642 11.181 1.00 0.74 H new ATOM 0 HA ASP A 72 10.413 -9.567 9.358 1.00 0.73 H new ATOM 0 HB2 ASP A 72 8.201 -8.101 8.894 1.00 0.87 H new ATOM 0 HB3 ASP A 72 9.254 -6.781 9.364 1.00 0.87 H new ATOM 838 N GLY A 73 10.828 -7.300 11.689 1.00 1.21 N ATOM 839 CA GLY A 73 11.887 -6.532 12.403 1.00 1.64 C ATOM 840 C GLY A 73 11.701 -5.035 12.145 1.00 1.42 C ATOM 841 O GLY A 73 12.644 -4.271 12.176 1.00 1.59 O ATOM 0 H GLY A 73 9.900 -7.254 12.109 1.00 1.21 H new ATOM 0 HA2 GLY A 73 11.838 -6.735 13.473 1.00 1.64 H new ATOM 0 HA3 GLY A 73 12.872 -6.850 12.063 1.00 1.64 H new ATOM 845 N CYS A 74 10.495 -4.612 11.889 1.00 1.10 N ATOM 846 CA CYS A 74 10.256 -3.163 11.629 1.00 0.96 C ATOM 847 C CYS A 74 9.639 -2.513 12.870 1.00 1.07 C ATOM 848 O CYS A 74 8.669 -1.787 12.784 1.00 1.19 O ATOM 849 CB CYS A 74 9.299 -3.010 10.446 1.00 0.64 C ATOM 850 SG CYS A 74 10.253 -2.774 8.924 1.00 0.63 S ATOM 0 H CYS A 74 9.666 -5.204 11.848 1.00 1.10 H new ATOM 0 HA CYS A 74 11.203 -2.676 11.398 1.00 0.96 H new ATOM 0 HB2 CYS A 74 8.668 -3.894 10.359 1.00 0.64 H new ATOM 0 HB3 CYS A 74 8.636 -2.160 10.608 1.00 0.64 H new ATOM 855 N PHE A 75 10.193 -2.767 14.025 1.00 1.24 N ATOM 856 CA PHE A 75 9.637 -2.162 15.270 1.00 1.38 C ATOM 857 C PHE A 75 10.691 -2.202 16.374 1.00 1.65 C ATOM 858 O PHE A 75 11.077 -1.187 16.921 1.00 3.22 O ATOM 859 CB PHE A 75 8.403 -2.951 15.714 1.00 1.31 C ATOM 860 CG PHE A 75 7.163 -2.325 15.121 1.00 1.74 C ATOM 861 CD1 PHE A 75 6.614 -1.175 15.701 1.00 2.64 C ATOM 862 CD2 PHE A 75 6.561 -2.895 13.993 1.00 1.42 C ATOM 863 CE1 PHE A 75 5.464 -0.595 15.153 1.00 3.04 C ATOM 864 CE2 PHE A 75 5.410 -2.315 13.444 1.00 1.79 C ATOM 865 CZ PHE A 75 4.863 -1.165 14.025 1.00 2.55 C ATOM 0 H PHE A 75 11.007 -3.367 14.160 1.00 1.24 H new ATOM 0 HA PHE A 75 9.356 -1.127 15.075 1.00 1.38 H new ATOM 0 HB2 PHE A 75 8.488 -3.989 15.393 1.00 1.31 H new ATOM 0 HB3 PHE A 75 8.335 -2.958 16.802 1.00 1.31 H new ATOM 0 HD1 PHE A 75 7.078 -0.735 16.572 1.00 2.64 H new ATOM 0 HD2 PHE A 75 6.984 -3.782 13.546 1.00 1.42 H new ATOM 0 HE1 PHE A 75 5.041 0.292 15.601 1.00 3.04 H new ATOM 0 HE2 PHE A 75 4.945 -2.755 12.574 1.00 1.79 H new ATOM 0 HZ PHE A 75 3.976 -0.717 13.602 1.00 2.55 H new ATOM 875 N GLN A 76 11.158 -3.370 16.698 1.00 0.60 N ATOM 876 CA GLN A 76 12.191 -3.513 17.762 1.00 0.73 C ATOM 877 C GLN A 76 12.495 -4.997 17.941 1.00 0.69 C ATOM 878 O GLN A 76 13.614 -5.388 18.211 1.00 0.65 O ATOM 879 CB GLN A 76 11.667 -2.943 19.085 1.00 1.06 C ATOM 880 CG GLN A 76 12.798 -2.932 20.116 1.00 1.46 C ATOM 881 CD GLN A 76 12.792 -4.248 20.896 1.00 2.90 C ATOM 882 OE1 GLN A 76 11.816 -4.971 20.883 1.00 3.87 O ATOM 883 NE2 GLN A 76 13.849 -4.593 21.580 1.00 3.65 N ATOM 0 H GLN A 76 10.865 -4.246 16.266 1.00 0.60 H new ATOM 0 HA GLN A 76 13.091 -2.969 17.475 1.00 0.73 H new ATOM 0 HB2 GLN A 76 11.288 -1.932 18.934 1.00 1.06 H new ATOM 0 HB3 GLN A 76 10.834 -3.545 19.449 1.00 1.06 H new ATOM 0 HG2 GLN A 76 13.758 -2.797 19.617 1.00 1.46 H new ATOM 0 HG3 GLN A 76 12.673 -2.092 20.799 1.00 1.46 H new ATOM 0 HE21 GLN A 76 14.669 -3.987 21.592 1.00 3.65 H new ATOM 0 HE22 GLN A 76 13.855 -5.469 22.103 1.00 3.65 H new ATOM 892 N SER A 77 11.500 -5.827 17.784 1.00 0.80 N ATOM 893 CA SER A 77 11.721 -7.292 17.933 1.00 0.94 C ATOM 894 C SER A 77 12.588 -7.784 16.774 1.00 0.81 C ATOM 895 O SER A 77 12.098 -8.077 15.700 1.00 1.09 O ATOM 896 CB SER A 77 10.375 -8.020 17.910 1.00 1.10 C ATOM 897 OG SER A 77 9.701 -7.799 19.141 1.00 1.28 O ATOM 0 H SER A 77 10.544 -5.553 17.559 1.00 0.80 H new ATOM 0 HA SER A 77 12.221 -7.494 18.880 1.00 0.94 H new ATOM 0 HB2 SER A 77 9.768 -7.660 17.080 1.00 1.10 H new ATOM 0 HB3 SER A 77 10.529 -9.088 17.753 1.00 1.10 H new ATOM 0 HG SER A 77 8.838 -8.263 19.129 1.00 1.28 H new ATOM 903 N GLY A 78 13.874 -7.868 16.974 1.00 0.86 N ATOM 904 CA GLY A 78 14.768 -8.329 15.876 1.00 0.73 C ATOM 905 C GLY A 78 14.822 -7.259 14.787 1.00 0.65 C ATOM 906 O GLY A 78 14.691 -7.544 13.613 1.00 0.51 O ATOM 0 H GLY A 78 14.344 -7.638 17.850 1.00 0.86 H new ATOM 0 HA2 GLY A 78 15.769 -8.522 16.263 1.00 0.73 H new ATOM 0 HA3 GLY A 78 14.400 -9.268 15.462 1.00 0.73 H new ATOM 910 N PHE A 79 15.014 -6.022 15.168 1.00 0.76 N ATOM 911 CA PHE A 79 15.077 -4.925 14.156 1.00 0.79 C ATOM 912 C PHE A 79 16.078 -5.294 13.059 1.00 0.66 C ATOM 913 O PHE A 79 17.240 -5.530 13.320 1.00 0.68 O ATOM 914 CB PHE A 79 15.520 -3.626 14.837 1.00 0.99 C ATOM 915 CG PHE A 79 15.530 -2.505 13.825 1.00 1.07 C ATOM 916 CD1 PHE A 79 14.328 -1.910 13.427 1.00 1.32 C ATOM 917 CD2 PHE A 79 16.744 -2.062 13.286 1.00 1.15 C ATOM 918 CE1 PHE A 79 14.339 -0.871 12.488 1.00 1.44 C ATOM 919 CE2 PHE A 79 16.755 -1.024 12.348 1.00 1.22 C ATOM 920 CZ PHE A 79 15.553 -0.428 11.949 1.00 1.28 C ATOM 0 H PHE A 79 15.130 -5.724 16.137 1.00 0.76 H new ATOM 0 HA PHE A 79 14.091 -4.785 13.713 1.00 0.79 H new ATOM 0 HB2 PHE A 79 14.844 -3.384 15.657 1.00 0.99 H new ATOM 0 HB3 PHE A 79 16.513 -3.750 15.269 1.00 0.99 H new ATOM 0 HD1 PHE A 79 13.392 -2.252 13.844 1.00 1.32 H new ATOM 0 HD2 PHE A 79 17.672 -2.521 13.594 1.00 1.15 H new ATOM 0 HE1 PHE A 79 13.411 -0.412 12.180 1.00 1.44 H new ATOM 0 HE2 PHE A 79 17.691 -0.682 11.932 1.00 1.22 H new ATOM 0 HZ PHE A 79 15.562 0.374 11.225 1.00 1.28 H new ATOM 930 N ASN A 80 15.632 -5.354 11.835 1.00 0.62 N ATOM 931 CA ASN A 80 16.557 -5.715 10.724 1.00 0.56 C ATOM 932 C ASN A 80 16.765 -4.510 9.815 1.00 0.62 C ATOM 933 O ASN A 80 16.344 -3.410 10.114 1.00 1.30 O ATOM 934 CB ASN A 80 15.958 -6.871 9.918 1.00 0.60 C ATOM 935 CG ASN A 80 16.021 -8.156 10.746 1.00 1.32 C ATOM 936 OD1 ASN A 80 17.180 -8.611 11.138 1.00 2.74 O flip ATOM 937 ND2 ASN A 80 15.005 -8.752 11.040 1.00 1.13 N flip ATOM 0 H ASN A 80 14.668 -5.169 11.556 1.00 0.62 H new ATOM 0 HA ASN A 80 17.518 -6.020 11.138 1.00 0.56 H new ATOM 0 HB2 ASN A 80 14.925 -6.647 9.653 1.00 0.60 H new ATOM 0 HB3 ASN A 80 16.506 -7.000 8.984 1.00 0.60 H new ATOM 0 HD21 ASN A 80 14.099 -8.397 10.734 1.00 1.13 H new ATOM 0 HD22 ASN A 80 15.057 -9.608 11.593 1.00 1.13 H new ATOM 944 N GLU A 81 17.421 -4.708 8.710 1.00 0.42 N ATOM 945 CA GLU A 81 17.672 -3.577 7.784 1.00 0.43 C ATOM 946 C GLU A 81 17.312 -3.998 6.362 1.00 0.33 C ATOM 947 O GLU A 81 16.391 -3.481 5.761 1.00 0.32 O ATOM 948 CB GLU A 81 19.153 -3.207 7.842 1.00 0.54 C ATOM 949 CG GLU A 81 19.340 -1.776 7.358 1.00 1.59 C ATOM 950 CD GLU A 81 20.106 -1.778 6.034 1.00 2.97 C ATOM 951 OE1 GLU A 81 21.249 -2.205 6.035 1.00 2.39 O ATOM 952 OE2 GLU A 81 19.537 -1.355 5.042 1.00 4.83 O ATOM 0 H GLU A 81 17.795 -5.608 8.408 1.00 0.42 H new ATOM 0 HA GLU A 81 17.064 -2.720 8.074 1.00 0.43 H new ATOM 0 HB2 GLU A 81 19.524 -3.308 8.862 1.00 0.54 H new ATOM 0 HB3 GLU A 81 19.734 -3.890 7.222 1.00 0.54 H new ATOM 0 HG2 GLU A 81 18.370 -1.296 7.228 1.00 1.59 H new ATOM 0 HG3 GLU A 81 19.885 -1.197 8.104 1.00 1.59 H new ATOM 959 N GLU A 82 18.035 -4.935 5.822 1.00 0.29 N ATOM 960 CA GLU A 82 17.745 -5.398 4.439 1.00 0.22 C ATOM 961 C GLU A 82 16.534 -6.336 4.451 1.00 0.32 C ATOM 962 O GLU A 82 15.927 -6.587 3.431 1.00 0.37 O ATOM 963 CB GLU A 82 18.962 -6.144 3.894 1.00 0.08 C ATOM 964 CG GLU A 82 19.600 -5.328 2.768 1.00 1.10 C ATOM 965 CD GLU A 82 21.068 -5.730 2.616 1.00 2.35 C ATOM 966 OE1 GLU A 82 21.783 -5.669 3.602 1.00 3.47 O ATOM 967 OE2 GLU A 82 21.451 -6.090 1.516 1.00 2.30 O ATOM 0 H GLU A 82 18.817 -5.402 6.280 1.00 0.29 H new ATOM 0 HA GLU A 82 17.526 -4.538 3.806 1.00 0.22 H new ATOM 0 HB2 GLU A 82 19.686 -6.311 4.691 1.00 0.08 H new ATOM 0 HB3 GLU A 82 18.664 -7.125 3.523 1.00 0.08 H new ATOM 0 HG2 GLU A 82 19.066 -5.499 1.833 1.00 1.10 H new ATOM 0 HG3 GLU A 82 19.524 -4.263 2.988 1.00 1.10 H new ATOM 974 N THR A 83 16.171 -6.852 5.594 1.00 0.35 N ATOM 975 CA THR A 83 14.999 -7.764 5.652 1.00 0.45 C ATOM 976 C THR A 83 13.727 -6.923 5.648 1.00 0.47 C ATOM 977 O THR A 83 12.773 -7.216 4.952 1.00 0.43 O ATOM 978 CB THR A 83 15.064 -8.603 6.935 1.00 0.49 C ATOM 979 OG1 THR A 83 16.196 -9.461 6.879 1.00 0.47 O ATOM 980 CG2 THR A 83 13.792 -9.445 7.072 1.00 0.61 C ATOM 0 H THR A 83 16.635 -6.681 6.486 1.00 0.35 H new ATOM 0 HA THR A 83 15.002 -8.433 4.792 1.00 0.45 H new ATOM 0 HB THR A 83 15.148 -7.939 7.795 1.00 0.49 H new ATOM 0 HG1 THR A 83 16.241 -9.997 7.698 1.00 0.47 H new ATOM 0 HG21 THR A 83 13.845 -10.038 7.985 1.00 0.61 H new ATOM 0 HG22 THR A 83 12.924 -8.788 7.116 1.00 0.61 H new ATOM 0 HG23 THR A 83 13.701 -10.109 6.213 1.00 0.61 H new ATOM 988 N CYS A 84 13.711 -5.873 6.417 1.00 0.55 N ATOM 989 CA CYS A 84 12.507 -5.011 6.456 1.00 0.58 C ATOM 990 C CYS A 84 12.328 -4.348 5.092 1.00 0.59 C ATOM 991 O CYS A 84 11.278 -4.423 4.488 1.00 0.66 O ATOM 992 CB CYS A 84 12.678 -3.935 7.532 1.00 0.57 C ATOM 993 SG CYS A 84 11.583 -4.295 8.930 1.00 1.49 S ATOM 0 H CYS A 84 14.480 -5.577 7.018 1.00 0.55 H new ATOM 0 HA CYS A 84 11.630 -5.614 6.692 1.00 0.58 H new ATOM 0 HB2 CYS A 84 13.715 -3.903 7.868 1.00 0.57 H new ATOM 0 HB3 CYS A 84 12.447 -2.953 7.119 1.00 0.57 H new ATOM 998 N LEU A 85 13.350 -3.700 4.604 1.00 0.53 N ATOM 999 CA LEU A 85 13.246 -3.028 3.280 1.00 0.54 C ATOM 1000 C LEU A 85 12.821 -4.040 2.211 1.00 0.54 C ATOM 1001 O LEU A 85 12.075 -3.716 1.314 1.00 0.52 O ATOM 1002 CB LEU A 85 14.601 -2.423 2.909 1.00 0.48 C ATOM 1003 CG LEU A 85 14.428 -1.467 1.726 1.00 0.51 C ATOM 1004 CD1 LEU A 85 13.731 -0.188 2.197 1.00 0.51 C ATOM 1005 CD2 LEU A 85 15.803 -1.108 1.153 1.00 0.44 C ATOM 0 H LEU A 85 14.254 -3.607 5.067 1.00 0.53 H new ATOM 0 HA LEU A 85 12.498 -2.238 3.336 1.00 0.54 H new ATOM 0 HB2 LEU A 85 15.019 -1.890 3.763 1.00 0.48 H new ATOM 0 HB3 LEU A 85 15.306 -3.214 2.651 1.00 0.48 H new ATOM 0 HG LEU A 85 13.825 -1.951 0.958 1.00 0.51 H new ATOM 0 HD11 LEU A 85 13.609 0.491 1.354 1.00 0.51 H new ATOM 0 HD12 LEU A 85 12.752 -0.437 2.607 1.00 0.51 H new ATOM 0 HD13 LEU A 85 14.335 0.293 2.966 1.00 0.51 H new ATOM 0 HD21 LEU A 85 15.680 -0.427 0.311 1.00 0.44 H new ATOM 0 HD22 LEU A 85 16.404 -0.626 1.924 1.00 0.44 H new ATOM 0 HD23 LEU A 85 16.305 -2.015 0.816 1.00 0.44 H new ATOM 1017 N VAL A 86 13.281 -5.261 2.292 1.00 0.56 N ATOM 1018 CA VAL A 86 12.877 -6.272 1.267 1.00 0.55 C ATOM 1019 C VAL A 86 11.346 -6.376 1.258 1.00 0.45 C ATOM 1020 O VAL A 86 10.707 -6.218 0.233 1.00 0.35 O ATOM 1021 CB VAL A 86 13.523 -7.630 1.613 1.00 0.63 C ATOM 1022 CG1 VAL A 86 12.806 -8.788 0.899 1.00 0.75 C ATOM 1023 CG2 VAL A 86 14.988 -7.613 1.170 1.00 0.64 C ATOM 0 H VAL A 86 13.914 -5.601 3.016 1.00 0.56 H new ATOM 0 HA VAL A 86 13.216 -5.974 0.275 1.00 0.55 H new ATOM 0 HB VAL A 86 13.443 -7.782 2.689 1.00 0.63 H new ATOM 0 HG11 VAL A 86 13.285 -9.731 1.163 1.00 0.75 H new ATOM 0 HG12 VAL A 86 11.761 -8.813 1.206 1.00 0.75 H new ATOM 0 HG13 VAL A 86 12.864 -8.642 -0.180 1.00 0.75 H new ATOM 0 HG21 VAL A 86 15.452 -8.569 1.411 1.00 0.64 H new ATOM 0 HG22 VAL A 86 15.041 -7.445 0.094 1.00 0.64 H new ATOM 0 HG23 VAL A 86 15.516 -6.813 1.689 1.00 0.64 H new ATOM 1033 N LYS A 87 10.750 -6.638 2.390 1.00 0.50 N ATOM 1034 CA LYS A 87 9.265 -6.746 2.433 1.00 0.42 C ATOM 1035 C LYS A 87 8.649 -5.433 1.941 1.00 0.36 C ATOM 1036 O LYS A 87 7.523 -5.396 1.486 1.00 0.32 O ATOM 1037 CB LYS A 87 8.810 -7.020 3.868 1.00 0.48 C ATOM 1038 CG LYS A 87 9.303 -8.402 4.307 1.00 0.92 C ATOM 1039 CD LYS A 87 8.675 -9.475 3.416 1.00 0.54 C ATOM 1040 CE LYS A 87 8.886 -10.855 4.049 1.00 1.15 C ATOM 1041 NZ LYS A 87 9.586 -11.756 3.085 1.00 1.93 N ATOM 0 H LYS A 87 11.225 -6.781 3.281 1.00 0.50 H new ATOM 0 HA LYS A 87 8.940 -7.565 1.792 1.00 0.42 H new ATOM 0 HB2 LYS A 87 9.201 -6.254 4.537 1.00 0.48 H new ATOM 0 HB3 LYS A 87 7.723 -6.973 3.931 1.00 0.48 H new ATOM 0 HG2 LYS A 87 10.390 -8.450 4.241 1.00 0.92 H new ATOM 0 HG3 LYS A 87 9.039 -8.580 5.349 1.00 0.92 H new ATOM 0 HD2 LYS A 87 7.610 -9.280 3.290 1.00 0.54 H new ATOM 0 HD3 LYS A 87 9.124 -9.446 2.423 1.00 0.54 H new ATOM 0 HE2 LYS A 87 9.473 -10.760 4.963 1.00 1.15 H new ATOM 0 HE3 LYS A 87 7.925 -11.286 4.331 1.00 1.15 H new ATOM 0 HZ1 LYS A 87 9.726 -12.690 3.521 1.00 1.93 H new ATOM 0 HZ2 LYS A 87 9.011 -11.858 2.225 1.00 1.93 H new ATOM 0 HZ3 LYS A 87 10.510 -11.348 2.837 1.00 1.93 H new ATOM 1055 N ILE A 88 9.381 -4.353 2.026 1.00 0.39 N ATOM 1056 CA ILE A 88 8.839 -3.043 1.562 1.00 0.39 C ATOM 1057 C ILE A 88 8.837 -3.001 0.029 1.00 0.36 C ATOM 1058 O ILE A 88 7.959 -2.424 -0.580 1.00 0.36 O ATOM 1059 CB ILE A 88 9.711 -1.906 2.111 1.00 0.49 C ATOM 1060 CG1 ILE A 88 9.585 -1.864 3.636 1.00 0.65 C ATOM 1061 CG2 ILE A 88 9.256 -0.565 1.526 1.00 0.47 C ATOM 1062 CD1 ILE A 88 8.124 -1.639 4.025 1.00 0.68 C ATOM 0 H ILE A 88 10.331 -4.322 2.397 1.00 0.39 H new ATOM 0 HA ILE A 88 7.818 -2.923 1.925 1.00 0.39 H new ATOM 0 HB ILE A 88 10.749 -2.083 1.830 1.00 0.49 H new ATOM 0 HG12 ILE A 88 9.947 -2.798 4.066 1.00 0.65 H new ATOM 0 HG13 ILE A 88 10.206 -1.065 4.040 1.00 0.65 H new ATOM 0 HG21 ILE A 88 9.881 0.235 1.922 1.00 0.47 H new ATOM 0 HG22 ILE A 88 9.346 -0.592 0.440 1.00 0.47 H new ATOM 0 HG23 ILE A 88 8.217 -0.383 1.799 1.00 0.47 H new ATOM 0 HD11 ILE A 88 8.037 -1.610 5.111 1.00 0.68 H new ATOM 0 HD12 ILE A 88 7.778 -0.694 3.607 1.00 0.68 H new ATOM 0 HD13 ILE A 88 7.514 -2.453 3.634 1.00 0.68 H new ATOM 1074 N ILE A 89 9.809 -3.605 -0.600 1.00 0.34 N ATOM 1075 CA ILE A 89 9.848 -3.589 -2.087 1.00 0.30 C ATOM 1076 C ILE A 89 8.685 -4.424 -2.623 1.00 0.22 C ATOM 1077 O ILE A 89 7.848 -3.934 -3.354 1.00 0.27 O ATOM 1078 CB ILE A 89 11.182 -4.161 -2.578 1.00 0.26 C ATOM 1079 CG1 ILE A 89 12.327 -3.307 -2.018 1.00 0.38 C ATOM 1080 CG2 ILE A 89 11.220 -4.131 -4.110 1.00 0.19 C ATOM 1081 CD1 ILE A 89 13.671 -3.822 -2.541 1.00 0.99 C ATOM 0 H ILE A 89 10.574 -4.106 -0.149 1.00 0.34 H new ATOM 0 HA ILE A 89 9.756 -2.565 -2.449 1.00 0.30 H new ATOM 0 HB ILE A 89 11.290 -5.191 -2.237 1.00 0.26 H new ATOM 0 HG12 ILE A 89 12.190 -2.265 -2.308 1.00 0.38 H new ATOM 0 HG13 ILE A 89 12.316 -3.338 -0.929 1.00 0.38 H new ATOM 0 HG21 ILE A 89 12.169 -4.538 -4.458 1.00 0.19 H new ATOM 0 HG22 ILE A 89 10.401 -4.731 -4.506 1.00 0.19 H new ATOM 0 HG23 ILE A 89 11.117 -3.103 -4.456 1.00 0.19 H new ATOM 0 HD11 ILE A 89 14.477 -3.209 -2.138 1.00 0.99 H new ATOM 0 HD12 ILE A 89 13.811 -4.857 -2.228 1.00 0.99 H new ATOM 0 HD13 ILE A 89 13.683 -3.767 -3.630 1.00 0.99 H new ATOM 1093 N THR A 90 8.611 -5.677 -2.257 1.00 0.21 N ATOM 1094 CA THR A 90 7.481 -6.518 -2.750 1.00 0.29 C ATOM 1095 C THR A 90 6.165 -5.995 -2.165 1.00 0.32 C ATOM 1096 O THR A 90 5.097 -6.295 -2.659 1.00 0.40 O ATOM 1097 CB THR A 90 7.688 -7.978 -2.336 1.00 0.43 C ATOM 1098 OG1 THR A 90 6.475 -8.695 -2.518 1.00 1.72 O ATOM 1099 CG2 THR A 90 8.106 -8.048 -0.869 1.00 1.13 C ATOM 0 H THR A 90 9.276 -6.150 -1.645 1.00 0.21 H new ATOM 0 HA THR A 90 7.444 -6.464 -3.838 1.00 0.29 H new ATOM 0 HB THR A 90 8.472 -8.419 -2.952 1.00 0.43 H new ATOM 0 HG1 THR A 90 6.605 -9.630 -2.255 1.00 1.72 H new ATOM 0 HG21 THR A 90 8.251 -9.089 -0.581 1.00 1.13 H new ATOM 0 HG22 THR A 90 9.038 -7.499 -0.730 1.00 1.13 H new ATOM 0 HG23 THR A 90 7.328 -7.605 -0.247 1.00 1.13 H new ATOM 1107 N GLY A 91 6.231 -5.207 -1.124 1.00 0.29 N ATOM 1108 CA GLY A 91 4.981 -4.663 -0.524 1.00 0.36 C ATOM 1109 C GLY A 91 4.454 -3.529 -1.406 1.00 0.34 C ATOM 1110 O GLY A 91 3.262 -3.326 -1.527 1.00 0.36 O ATOM 0 H GLY A 91 7.095 -4.918 -0.665 1.00 0.29 H new ATOM 0 HA2 GLY A 91 4.232 -5.450 -0.437 1.00 0.36 H new ATOM 0 HA3 GLY A 91 5.176 -4.296 0.484 1.00 0.36 H new ATOM 1114 N LEU A 92 5.335 -2.790 -2.026 1.00 0.32 N ATOM 1115 CA LEU A 92 4.886 -1.672 -2.904 1.00 0.32 C ATOM 1116 C LEU A 92 4.513 -2.232 -4.281 1.00 0.33 C ATOM 1117 O LEU A 92 3.725 -1.653 -5.002 1.00 0.40 O ATOM 1118 CB LEU A 92 6.021 -0.655 -3.059 1.00 0.34 C ATOM 1119 CG LEU A 92 6.210 0.106 -1.746 1.00 0.37 C ATOM 1120 CD1 LEU A 92 7.659 0.584 -1.638 1.00 0.52 C ATOM 1121 CD2 LEU A 92 5.274 1.315 -1.719 1.00 0.63 C ATOM 0 H LEU A 92 6.346 -2.913 -1.962 1.00 0.32 H new ATOM 0 HA LEU A 92 4.020 -1.182 -2.459 1.00 0.32 H new ATOM 0 HB2 LEU A 92 6.945 -1.165 -3.332 1.00 0.34 H new ATOM 0 HB3 LEU A 92 5.791 0.042 -3.865 1.00 0.34 H new ATOM 0 HG LEU A 92 5.980 -0.552 -0.908 1.00 0.37 H new ATOM 0 HD11 LEU A 92 7.794 1.127 -0.702 1.00 0.52 H new ATOM 0 HD12 LEU A 92 8.328 -0.276 -1.659 1.00 0.52 H new ATOM 0 HD13 LEU A 92 7.888 1.243 -2.476 1.00 0.52 H new ATOM 0 HD21 LEU A 92 5.408 1.858 -0.783 1.00 0.63 H new ATOM 0 HD22 LEU A 92 5.505 1.973 -2.557 1.00 0.63 H new ATOM 0 HD23 LEU A 92 4.241 0.977 -1.798 1.00 0.63 H new ATOM 1133 N LEU A 93 5.069 -3.357 -4.647 1.00 0.32 N ATOM 1134 CA LEU A 93 4.742 -3.961 -5.973 1.00 0.37 C ATOM 1135 C LEU A 93 3.326 -4.559 -5.902 1.00 0.33 C ATOM 1136 O LEU A 93 2.441 -4.214 -6.679 1.00 0.34 O ATOM 1137 CB LEU A 93 5.781 -5.046 -6.299 1.00 0.51 C ATOM 1138 CG LEU A 93 7.183 -4.420 -6.279 1.00 0.70 C ATOM 1139 CD1 LEU A 93 8.234 -5.473 -5.895 1.00 0.74 C ATOM 1140 CD2 LEU A 93 7.505 -3.865 -7.669 1.00 0.91 C ATOM 0 H LEU A 93 5.736 -3.885 -4.084 1.00 0.32 H new ATOM 0 HA LEU A 93 4.770 -3.208 -6.761 1.00 0.37 H new ATOM 0 HB2 LEU A 93 5.720 -5.856 -5.572 1.00 0.51 H new ATOM 0 HB3 LEU A 93 5.577 -5.480 -7.278 1.00 0.51 H new ATOM 0 HG LEU A 93 7.204 -3.617 -5.542 1.00 0.70 H new ATOM 0 HD11 LEU A 93 9.222 -5.014 -5.885 1.00 0.74 H new ATOM 0 HD12 LEU A 93 8.008 -5.869 -4.905 1.00 0.74 H new ATOM 0 HD13 LEU A 93 8.218 -6.285 -6.622 1.00 0.74 H new ATOM 0 HD21 LEU A 93 8.500 -3.419 -7.661 1.00 0.91 H new ATOM 0 HD22 LEU A 93 7.476 -4.674 -8.399 1.00 0.91 H new ATOM 0 HD23 LEU A 93 6.769 -3.107 -7.937 1.00 0.91 H new ATOM 1152 N GLU A 94 3.084 -5.421 -4.953 1.00 0.30 N ATOM 1153 CA GLU A 94 1.716 -5.990 -4.813 1.00 0.30 C ATOM 1154 C GLU A 94 0.773 -4.820 -4.544 1.00 0.27 C ATOM 1155 O GLU A 94 -0.341 -4.765 -5.027 1.00 0.27 O ATOM 1156 CB GLU A 94 1.678 -6.971 -3.637 1.00 0.26 C ATOM 1157 CG GLU A 94 1.532 -8.399 -4.165 1.00 0.40 C ATOM 1158 CD GLU A 94 0.347 -9.082 -3.481 1.00 0.61 C ATOM 1159 OE1 GLU A 94 0.058 -8.730 -2.349 1.00 0.87 O ATOM 1160 OE2 GLU A 94 -0.255 -9.944 -4.101 1.00 1.31 O ATOM 0 H GLU A 94 3.769 -5.753 -4.274 1.00 0.30 H new ATOM 0 HA GLU A 94 1.423 -6.529 -5.714 1.00 0.30 H new ATOM 0 HB2 GLU A 94 2.590 -6.882 -3.047 1.00 0.26 H new ATOM 0 HB3 GLU A 94 0.846 -6.730 -2.976 1.00 0.26 H new ATOM 0 HG2 GLU A 94 1.382 -8.384 -5.245 1.00 0.40 H new ATOM 0 HG3 GLU A 94 2.446 -8.962 -3.978 1.00 0.40 H new ATOM 1167 N PHE A 95 1.239 -3.861 -3.794 1.00 0.25 N ATOM 1168 CA PHE A 95 0.410 -2.665 -3.504 1.00 0.23 C ATOM 1169 C PHE A 95 0.058 -1.987 -4.825 1.00 0.25 C ATOM 1170 O PHE A 95 -1.004 -1.429 -4.983 1.00 0.26 O ATOM 1171 CB PHE A 95 1.222 -1.689 -2.649 1.00 0.20 C ATOM 1172 CG PHE A 95 0.929 -1.897 -1.182 1.00 0.18 C ATOM 1173 CD1 PHE A 95 0.725 -3.186 -0.674 1.00 0.64 C ATOM 1174 CD2 PHE A 95 0.866 -0.791 -0.329 1.00 0.76 C ATOM 1175 CE1 PHE A 95 0.458 -3.365 0.686 1.00 0.58 C ATOM 1176 CE2 PHE A 95 0.597 -0.969 1.030 1.00 0.82 C ATOM 1177 CZ PHE A 95 0.392 -2.256 1.540 1.00 0.23 C ATOM 0 H PHE A 95 2.166 -3.857 -3.368 1.00 0.25 H new ATOM 0 HA PHE A 95 -0.496 -2.956 -2.973 1.00 0.23 H new ATOM 0 HB2 PHE A 95 2.286 -1.831 -2.837 1.00 0.20 H new ATOM 0 HB3 PHE A 95 0.983 -0.664 -2.931 1.00 0.20 H new ATOM 0 HD1 PHE A 95 0.774 -4.041 -1.332 1.00 0.64 H new ATOM 0 HD2 PHE A 95 1.026 0.202 -0.721 1.00 0.76 H new ATOM 0 HE1 PHE A 95 0.302 -4.359 1.079 1.00 0.58 H new ATOM 0 HE2 PHE A 95 0.547 -0.113 1.687 1.00 0.82 H new ATOM 0 HZ PHE A 95 0.183 -2.394 2.591 1.00 0.23 H new ATOM 1187 N GLU A 96 0.960 -2.027 -5.773 1.00 0.29 N ATOM 1188 CA GLU A 96 0.694 -1.380 -7.088 1.00 0.30 C ATOM 1189 C GLU A 96 -0.559 -2.003 -7.715 1.00 0.31 C ATOM 1190 O GLU A 96 -1.412 -1.303 -8.223 1.00 0.30 O ATOM 1191 CB GLU A 96 1.939 -1.521 -8.004 1.00 0.39 C ATOM 1192 CG GLU A 96 1.805 -2.690 -8.997 1.00 1.80 C ATOM 1193 CD GLU A 96 3.168 -2.982 -9.626 1.00 2.73 C ATOM 1194 OE1 GLU A 96 3.521 -2.297 -10.572 1.00 2.60 O ATOM 1195 OE2 GLU A 96 3.836 -3.886 -9.152 1.00 4.32 O ATOM 0 H GLU A 96 1.870 -2.481 -5.690 1.00 0.29 H new ATOM 0 HA GLU A 96 0.507 -0.314 -6.955 1.00 0.30 H new ATOM 0 HB2 GLU A 96 2.088 -0.593 -8.556 1.00 0.39 H new ATOM 0 HB3 GLU A 96 2.826 -1.671 -7.388 1.00 0.39 H new ATOM 0 HG2 GLU A 96 1.432 -3.576 -8.484 1.00 1.80 H new ATOM 0 HG3 GLU A 96 1.080 -2.442 -9.772 1.00 1.80 H new ATOM 1202 N VAL A 97 -0.690 -3.307 -7.682 1.00 0.34 N ATOM 1203 CA VAL A 97 -1.922 -3.914 -8.281 1.00 0.37 C ATOM 1204 C VAL A 97 -3.140 -3.435 -7.478 1.00 0.34 C ATOM 1205 O VAL A 97 -4.223 -3.257 -8.010 1.00 0.33 O ATOM 1206 CB VAL A 97 -1.845 -5.454 -8.275 1.00 0.42 C ATOM 1207 CG1 VAL A 97 -1.851 -5.995 -6.844 1.00 0.52 C ATOM 1208 CG2 VAL A 97 -3.054 -6.023 -9.026 1.00 0.28 C ATOM 0 H VAL A 97 -0.020 -3.962 -7.279 1.00 0.34 H new ATOM 0 HA VAL A 97 -2.011 -3.598 -9.320 1.00 0.37 H new ATOM 0 HB VAL A 97 -0.917 -5.756 -8.761 1.00 0.42 H new ATOM 0 HG11 VAL A 97 -1.796 -7.083 -6.866 1.00 0.52 H new ATOM 0 HG12 VAL A 97 -0.992 -5.599 -6.302 1.00 0.52 H new ATOM 0 HG13 VAL A 97 -2.769 -5.688 -6.343 1.00 0.52 H new ATOM 0 HG21 VAL A 97 -3.004 -7.112 -9.024 1.00 0.28 H new ATOM 0 HG22 VAL A 97 -3.972 -5.701 -8.534 1.00 0.28 H new ATOM 0 HG23 VAL A 97 -3.047 -5.661 -10.054 1.00 0.28 H new ATOM 1218 N TYR A 98 -2.969 -3.197 -6.203 1.00 0.37 N ATOM 1219 CA TYR A 98 -4.113 -2.710 -5.386 1.00 0.34 C ATOM 1220 C TYR A 98 -4.384 -1.252 -5.743 1.00 0.28 C ATOM 1221 O TYR A 98 -5.491 -0.764 -5.622 1.00 0.28 O ATOM 1222 CB TYR A 98 -3.782 -2.854 -3.903 1.00 0.35 C ATOM 1223 CG TYR A 98 -3.903 -4.312 -3.542 1.00 0.24 C ATOM 1224 CD1 TYR A 98 -5.169 -4.902 -3.453 1.00 0.21 C ATOM 1225 CD2 TYR A 98 -2.754 -5.079 -3.319 1.00 0.30 C ATOM 1226 CE1 TYR A 98 -5.287 -6.259 -3.139 1.00 0.25 C ATOM 1227 CE2 TYR A 98 -2.872 -6.438 -3.008 1.00 0.30 C ATOM 1228 CZ TYR A 98 -4.141 -7.030 -2.918 1.00 0.28 C ATOM 1229 OH TYR A 98 -4.263 -8.373 -2.611 1.00 0.39 O ATOM 0 H TYR A 98 -2.091 -3.319 -5.698 1.00 0.37 H new ATOM 0 HA TYR A 98 -5.006 -3.300 -5.594 1.00 0.34 H new ATOM 0 HB2 TYR A 98 -2.774 -2.493 -3.700 1.00 0.35 H new ATOM 0 HB3 TYR A 98 -4.463 -2.254 -3.300 1.00 0.35 H new ATOM 0 HD1 TYR A 98 -6.055 -4.309 -3.627 1.00 0.21 H new ATOM 0 HD2 TYR A 98 -1.778 -4.623 -3.387 1.00 0.30 H new ATOM 0 HE1 TYR A 98 -6.264 -6.713 -3.067 1.00 0.25 H new ATOM 0 HE2 TYR A 98 -1.986 -7.032 -2.837 1.00 0.30 H new ATOM 0 HH TYR A 98 -3.372 -8.774 -2.536 1.00 0.39 H new ATOM 1239 N LEU A 99 -3.395 -0.569 -6.247 1.00 0.26 N ATOM 1240 CA LEU A 99 -3.616 0.827 -6.683 1.00 0.25 C ATOM 1241 C LEU A 99 -4.402 0.742 -7.984 1.00 0.27 C ATOM 1242 O LEU A 99 -5.216 1.587 -8.297 1.00 0.34 O ATOM 1243 CB LEU A 99 -2.277 1.526 -6.901 1.00 0.28 C ATOM 1244 CG LEU A 99 -1.658 1.843 -5.540 1.00 0.36 C ATOM 1245 CD1 LEU A 99 -0.291 2.498 -5.739 1.00 0.75 C ATOM 1246 CD2 LEU A 99 -2.581 2.796 -4.774 1.00 0.46 C ATOM 0 H LEU A 99 -2.446 -0.921 -6.374 1.00 0.26 H new ATOM 0 HA LEU A 99 -4.160 1.404 -5.935 1.00 0.25 H new ATOM 0 HB2 LEU A 99 -1.609 0.889 -7.480 1.00 0.28 H new ATOM 0 HB3 LEU A 99 -2.419 2.443 -7.474 1.00 0.28 H new ATOM 0 HG LEU A 99 -1.534 0.922 -4.971 1.00 0.36 H new ATOM 0 HD11 LEU A 99 0.149 2.724 -4.768 1.00 0.75 H new ATOM 0 HD12 LEU A 99 0.363 1.817 -6.284 1.00 0.75 H new ATOM 0 HD13 LEU A 99 -0.409 3.421 -6.307 1.00 0.75 H new ATOM 0 HD21 LEU A 99 -2.143 3.024 -3.802 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -2.705 3.718 -5.342 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -3.553 2.325 -4.632 1.00 0.46 H new ATOM 1258 N GLU A 100 -4.211 -0.339 -8.706 1.00 0.26 N ATOM 1259 CA GLU A 100 -4.987 -0.567 -9.941 1.00 0.33 C ATOM 1260 C GLU A 100 -6.445 -0.606 -9.501 1.00 0.37 C ATOM 1261 O GLU A 100 -7.339 -0.129 -10.170 1.00 0.44 O ATOM 1262 CB GLU A 100 -4.583 -1.924 -10.524 1.00 0.34 C ATOM 1263 CG GLU A 100 -4.404 -1.818 -12.038 1.00 0.55 C ATOM 1264 CD GLU A 100 -3.317 -0.790 -12.363 1.00 2.31 C ATOM 1265 OE1 GLU A 100 -2.596 -0.409 -11.455 1.00 3.55 O ATOM 1266 OE2 GLU A 100 -3.223 -0.402 -13.515 1.00 2.67 O ATOM 0 H GLU A 100 -3.540 -1.073 -8.479 1.00 0.26 H new ATOM 0 HA GLU A 100 -4.817 0.201 -10.696 1.00 0.33 H new ATOM 0 HB2 GLU A 100 -3.655 -2.263 -10.064 1.00 0.34 H new ATOM 0 HB3 GLU A 100 -5.345 -2.669 -10.292 1.00 0.34 H new ATOM 0 HG2 GLU A 100 -4.132 -2.790 -12.450 1.00 0.55 H new ATOM 0 HG3 GLU A 100 -5.345 -1.526 -12.505 1.00 0.55 H new ATOM 1273 N TYR A 101 -6.663 -1.156 -8.332 1.00 0.34 N ATOM 1274 CA TYR A 101 -8.029 -1.223 -7.764 1.00 0.37 C ATOM 1275 C TYR A 101 -8.571 0.187 -7.595 1.00 0.39 C ATOM 1276 O TYR A 101 -9.684 0.491 -7.973 1.00 0.44 O ATOM 1277 CB TYR A 101 -7.972 -1.900 -6.392 1.00 0.34 C ATOM 1278 CG TYR A 101 -9.111 -2.875 -6.273 1.00 0.36 C ATOM 1279 CD1 TYR A 101 -9.286 -3.853 -7.253 1.00 0.41 C ATOM 1280 CD2 TYR A 101 -9.994 -2.800 -5.189 1.00 0.34 C ATOM 1281 CE1 TYR A 101 -10.346 -4.761 -7.158 1.00 0.43 C ATOM 1282 CE2 TYR A 101 -11.055 -3.708 -5.093 1.00 0.36 C ATOM 1283 CZ TYR A 101 -11.230 -4.687 -6.078 1.00 0.41 C ATOM 1284 OH TYR A 101 -12.278 -5.578 -5.982 1.00 0.43 O ATOM 0 H TYR A 101 -5.936 -1.565 -7.745 1.00 0.34 H new ATOM 0 HA TYR A 101 -8.675 -1.792 -8.433 1.00 0.37 H new ATOM 0 HB2 TYR A 101 -7.021 -2.417 -6.268 1.00 0.34 H new ATOM 0 HB3 TYR A 101 -8.034 -1.152 -5.601 1.00 0.34 H new ATOM 0 HD1 TYR A 101 -8.602 -3.909 -8.087 1.00 0.41 H new ATOM 0 HD2 TYR A 101 -9.857 -2.044 -4.430 1.00 0.34 H new ATOM 0 HE1 TYR A 101 -10.481 -5.517 -7.917 1.00 0.43 H new ATOM 0 HE2 TYR A 101 -11.739 -3.653 -4.259 1.00 0.36 H new ATOM 0 HH TYR A 101 -12.795 -5.389 -5.171 1.00 0.43 H new ATOM 1294 N LEU A 102 -7.796 1.041 -7.001 1.00 0.36 N ATOM 1295 CA LEU A 102 -8.255 2.434 -6.762 1.00 0.40 C ATOM 1296 C LEU A 102 -7.863 3.341 -7.929 1.00 0.46 C ATOM 1297 O LEU A 102 -7.988 4.547 -7.850 1.00 0.53 O ATOM 1298 CB LEU A 102 -7.607 2.938 -5.476 1.00 0.39 C ATOM 1299 CG LEU A 102 -7.785 1.887 -4.377 1.00 0.31 C ATOM 1300 CD1 LEU A 102 -6.488 1.753 -3.584 1.00 0.25 C ATOM 1301 CD2 LEU A 102 -8.919 2.317 -3.455 1.00 0.36 C ATOM 0 H LEU A 102 -6.855 0.834 -6.667 1.00 0.36 H new ATOM 0 HA LEU A 102 -9.341 2.449 -6.673 1.00 0.40 H new ATOM 0 HB2 LEU A 102 -6.547 3.133 -5.641 1.00 0.39 H new ATOM 0 HB3 LEU A 102 -8.061 3.881 -5.171 1.00 0.39 H new ATOM 0 HG LEU A 102 -8.028 0.922 -4.823 1.00 0.31 H new ATOM 0 HD11 LEU A 102 -6.615 1.005 -2.802 1.00 0.25 H new ATOM 0 HD12 LEU A 102 -5.683 1.446 -4.252 1.00 0.25 H new ATOM 0 HD13 LEU A 102 -6.238 2.712 -3.131 1.00 0.25 H new ATOM 0 HD21 LEU A 102 -9.051 1.573 -2.670 1.00 0.36 H new ATOM 0 HD22 LEU A 102 -8.677 3.280 -3.005 1.00 0.36 H new ATOM 0 HD23 LEU A 102 -9.841 2.406 -4.029 1.00 0.36 H new ATOM 1313 N GLN A 103 -7.390 2.784 -9.008 1.00 0.47 N ATOM 1314 CA GLN A 103 -7.000 3.640 -10.159 1.00 0.55 C ATOM 1315 C GLN A 103 -8.251 4.008 -10.962 1.00 0.52 C ATOM 1316 O GLN A 103 -8.311 5.041 -11.601 1.00 0.54 O ATOM 1317 CB GLN A 103 -6.017 2.880 -11.054 1.00 0.69 C ATOM 1318 CG GLN A 103 -5.161 3.880 -11.835 1.00 0.40 C ATOM 1319 CD GLN A 103 -4.231 3.123 -12.786 1.00 0.45 C ATOM 1320 OE1 GLN A 103 -3.365 2.389 -12.353 1.00 1.38 O ATOM 1321 NE2 GLN A 103 -4.374 3.272 -14.075 1.00 0.72 N ATOM 0 H GLN A 103 -7.258 1.781 -9.141 1.00 0.47 H new ATOM 0 HA GLN A 103 -6.522 4.549 -9.793 1.00 0.55 H new ATOM 0 HB2 GLN A 103 -5.380 2.235 -10.448 1.00 0.69 H new ATOM 0 HB3 GLN A 103 -6.561 2.234 -11.743 1.00 0.69 H new ATOM 0 HG2 GLN A 103 -5.800 4.560 -12.399 1.00 0.40 H new ATOM 0 HG3 GLN A 103 -4.576 4.490 -11.146 1.00 0.40 H new ATOM 0 HE21 GLN A 103 -5.101 3.888 -14.440 1.00 0.72 H new ATOM 0 HE22 GLN A 103 -3.759 2.772 -14.717 1.00 0.72 H new ATOM 1330 N ASN A 104 -9.249 3.166 -10.938 1.00 0.62 N ATOM 1331 CA ASN A 104 -10.496 3.461 -11.704 1.00 0.63 C ATOM 1332 C ASN A 104 -11.714 3.394 -10.776 1.00 0.59 C ATOM 1333 O ASN A 104 -12.693 4.084 -10.978 1.00 0.59 O ATOM 1334 CB ASN A 104 -10.660 2.429 -12.823 1.00 0.70 C ATOM 1335 CG ASN A 104 -11.169 3.123 -14.088 1.00 0.82 C ATOM 1336 OD1 ASN A 104 -12.346 3.086 -14.385 1.00 2.00 O ATOM 1337 ND2 ASN A 104 -10.324 3.758 -14.853 1.00 0.59 N ATOM 0 H ASN A 104 -9.255 2.287 -10.421 1.00 0.62 H new ATOM 0 HA ASN A 104 -10.423 4.462 -12.128 1.00 0.63 H new ATOM 0 HB2 ASN A 104 -9.707 1.939 -13.023 1.00 0.70 H new ATOM 0 HB3 ASN A 104 -11.360 1.652 -12.515 1.00 0.70 H new ATOM 0 HD21 ASN A 104 -10.652 4.223 -15.700 1.00 0.59 H new ATOM 0 HD22 ASN A 104 -9.335 3.790 -14.604 1.00 0.59 H new ATOM 1344 N ARG A 105 -11.670 2.565 -9.767 1.00 0.61 N ATOM 1345 CA ARG A 105 -12.836 2.460 -8.842 1.00 0.62 C ATOM 1346 C ARG A 105 -13.178 3.844 -8.292 1.00 0.63 C ATOM 1347 O ARG A 105 -14.302 4.112 -7.916 1.00 0.70 O ATOM 1348 CB ARG A 105 -12.493 1.524 -7.682 1.00 0.60 C ATOM 1349 CG ARG A 105 -12.787 0.079 -8.089 1.00 1.38 C ATOM 1350 CD ARG A 105 -14.291 -0.184 -7.979 1.00 1.43 C ATOM 1351 NE ARG A 105 -14.783 -0.803 -9.242 1.00 2.47 N ATOM 1352 CZ ARG A 105 -14.675 -2.091 -9.423 1.00 3.75 C ATOM 1353 NH1 ARG A 105 -13.600 -2.585 -9.970 1.00 5.15 N ATOM 1354 NH2 ARG A 105 -15.644 -2.885 -9.055 1.00 3.99 N ATOM 0 H ARG A 105 -10.881 1.959 -9.544 1.00 0.61 H new ATOM 0 HA ARG A 105 -13.692 2.062 -9.387 1.00 0.62 H new ATOM 0 HB2 ARG A 105 -11.442 1.631 -7.413 1.00 0.60 H new ATOM 0 HB3 ARG A 105 -13.076 1.791 -6.801 1.00 0.60 H new ATOM 0 HG2 ARG A 105 -12.449 -0.099 -9.110 1.00 1.38 H new ATOM 0 HG3 ARG A 105 -12.238 -0.610 -7.447 1.00 1.38 H new ATOM 0 HD2 ARG A 105 -14.494 -0.844 -7.135 1.00 1.43 H new ATOM 0 HD3 ARG A 105 -14.821 0.749 -7.789 1.00 1.43 H new ATOM 0 HE ARG A 105 -15.204 -0.220 -9.965 1.00 2.47 H new ATOM 0 HH11 ARG A 105 -12.843 -1.965 -10.257 1.00 5.15 H new ATOM 0 HH12 ARG A 105 -13.516 -3.592 -10.111 1.00 5.15 H new ATOM 0 HH21 ARG A 105 -16.485 -2.499 -8.626 1.00 3.99 H new ATOM 0 HH22 ARG A 105 -15.560 -3.892 -9.196 1.00 3.99 H new ATOM 1368 N PHE A 106 -12.221 4.725 -8.245 1.00 0.59 N ATOM 1369 CA PHE A 106 -12.495 6.091 -7.723 1.00 0.59 C ATOM 1370 C PHE A 106 -12.959 6.987 -8.877 1.00 0.59 C ATOM 1371 O PHE A 106 -12.354 7.995 -9.177 1.00 0.52 O ATOM 1372 CB PHE A 106 -11.218 6.667 -7.102 1.00 0.59 C ATOM 1373 CG PHE A 106 -11.338 6.659 -5.594 1.00 0.38 C ATOM 1374 CD1 PHE A 106 -12.025 7.688 -4.938 1.00 0.55 C ATOM 1375 CD2 PHE A 106 -10.758 5.623 -4.850 1.00 0.97 C ATOM 1376 CE1 PHE A 106 -12.132 7.683 -3.542 1.00 0.78 C ATOM 1377 CE2 PHE A 106 -10.865 5.619 -3.453 1.00 0.77 C ATOM 1378 CZ PHE A 106 -11.551 6.648 -2.799 1.00 0.32 C ATOM 0 H PHE A 106 -11.261 4.559 -8.545 1.00 0.59 H new ATOM 0 HA PHE A 106 -13.274 6.045 -6.962 1.00 0.59 H new ATOM 0 HB2 PHE A 106 -10.354 6.079 -7.411 1.00 0.59 H new ATOM 0 HB3 PHE A 106 -11.055 7.684 -7.458 1.00 0.59 H new ATOM 0 HD1 PHE A 106 -12.473 8.487 -5.510 1.00 0.55 H new ATOM 0 HD2 PHE A 106 -10.228 4.828 -5.353 1.00 0.97 H new ATOM 0 HE1 PHE A 106 -12.663 8.477 -3.038 1.00 0.78 H new ATOM 0 HE2 PHE A 106 -10.417 4.820 -2.880 1.00 0.77 H new ATOM 0 HZ PHE A 106 -11.632 6.644 -1.722 1.00 0.32 H new ATOM 1388 N GLU A 107 -14.031 6.623 -9.531 1.00 0.98 N ATOM 1389 CA GLU A 107 -14.533 7.451 -10.665 1.00 0.99 C ATOM 1390 C GLU A 107 -15.002 8.816 -10.149 1.00 1.03 C ATOM 1391 O GLU A 107 -15.215 9.736 -10.915 1.00 1.09 O ATOM 1392 CB GLU A 107 -15.704 6.730 -11.341 1.00 1.10 C ATOM 1393 CG GLU A 107 -16.257 7.601 -12.471 1.00 1.81 C ATOM 1394 CD GLU A 107 -16.990 6.719 -13.485 1.00 2.31 C ATOM 1395 OE1 GLU A 107 -16.321 6.102 -14.296 1.00 2.95 O ATOM 1396 OE2 GLU A 107 -18.209 6.678 -13.432 1.00 2.27 O ATOM 0 H GLU A 107 -14.580 5.788 -9.328 1.00 0.98 H new ATOM 0 HA GLU A 107 -13.728 7.599 -11.385 1.00 0.99 H new ATOM 0 HB2 GLU A 107 -15.374 5.769 -11.736 1.00 1.10 H new ATOM 0 HB3 GLU A 107 -16.487 6.522 -10.611 1.00 1.10 H new ATOM 0 HG2 GLU A 107 -16.937 8.351 -12.067 1.00 1.81 H new ATOM 0 HG3 GLU A 107 -15.445 8.138 -12.961 1.00 1.81 H new ATOM 1403 N SER A 108 -15.163 8.961 -8.860 1.00 1.03 N ATOM 1404 CA SER A 108 -15.613 10.271 -8.308 1.00 1.08 C ATOM 1405 C SER A 108 -14.384 11.114 -7.984 1.00 0.97 C ATOM 1406 O SER A 108 -14.348 12.306 -8.215 1.00 1.00 O ATOM 1407 CB SER A 108 -16.428 10.038 -7.035 1.00 1.15 C ATOM 1408 OG SER A 108 -17.703 9.516 -7.385 1.00 1.69 O ATOM 0 H SER A 108 -15.002 8.230 -8.167 1.00 1.03 H new ATOM 0 HA SER A 108 -16.235 10.789 -9.038 1.00 1.08 H new ATOM 0 HB2 SER A 108 -15.906 9.344 -6.377 1.00 1.15 H new ATOM 0 HB3 SER A 108 -16.543 10.973 -6.486 1.00 1.15 H new ATOM 0 HG SER A 108 -18.228 9.363 -6.572 1.00 1.69 H new ATOM 1414 N SER A 109 -13.369 10.487 -7.461 1.00 0.89 N ATOM 1415 CA SER A 109 -12.117 11.219 -7.126 1.00 0.81 C ATOM 1416 C SER A 109 -10.967 10.552 -7.872 1.00 0.74 C ATOM 1417 O SER A 109 -9.905 10.321 -7.330 1.00 0.67 O ATOM 1418 CB SER A 109 -11.866 11.143 -5.621 1.00 0.68 C ATOM 1419 OG SER A 109 -11.305 12.371 -5.175 1.00 0.70 O ATOM 0 H SER A 109 -13.353 9.489 -7.249 1.00 0.89 H new ATOM 0 HA SER A 109 -12.200 12.267 -7.416 1.00 0.81 H new ATOM 0 HB2 SER A 109 -12.800 10.944 -5.095 1.00 0.68 H new ATOM 0 HB3 SER A 109 -11.191 10.318 -5.395 1.00 0.68 H new ATOM 0 HG SER A 109 -11.805 12.696 -4.397 1.00 0.70 H new ATOM 1425 N GLU A 110 -11.192 10.220 -9.115 1.00 0.78 N ATOM 1426 CA GLU A 110 -10.149 9.539 -9.927 1.00 0.73 C ATOM 1427 C GLU A 110 -8.790 10.227 -9.752 1.00 0.67 C ATOM 1428 O GLU A 110 -7.802 9.597 -9.432 1.00 0.57 O ATOM 1429 CB GLU A 110 -10.554 9.595 -11.400 1.00 0.76 C ATOM 1430 CG GLU A 110 -10.095 8.318 -12.100 1.00 1.03 C ATOM 1431 CD GLU A 110 -11.296 7.403 -12.336 1.00 2.17 C ATOM 1432 OE1 GLU A 110 -11.703 6.738 -11.398 1.00 3.66 O ATOM 1433 OE2 GLU A 110 -11.790 7.382 -13.452 1.00 2.07 O ATOM 0 H GLU A 110 -12.068 10.396 -9.607 1.00 0.78 H new ATOM 0 HA GLU A 110 -10.061 8.505 -9.594 1.00 0.73 H new ATOM 0 HB2 GLU A 110 -11.635 9.703 -11.488 1.00 0.76 H new ATOM 0 HB3 GLU A 110 -10.107 10.466 -11.879 1.00 0.76 H new ATOM 0 HG2 GLU A 110 -9.619 8.563 -13.050 1.00 1.03 H new ATOM 0 HG3 GLU A 110 -9.349 7.806 -11.492 1.00 1.03 H new ATOM 1440 N GLU A 111 -8.732 11.510 -9.969 1.00 0.77 N ATOM 1441 CA GLU A 111 -7.438 12.235 -9.826 1.00 0.72 C ATOM 1442 C GLU A 111 -6.849 11.986 -8.434 1.00 0.58 C ATOM 1443 O GLU A 111 -5.671 11.730 -8.288 1.00 0.49 O ATOM 1444 CB GLU A 111 -7.672 13.735 -10.017 1.00 0.87 C ATOM 1445 CG GLU A 111 -8.134 14.000 -11.450 1.00 1.91 C ATOM 1446 CD GLU A 111 -8.770 15.389 -11.533 1.00 2.00 C ATOM 1447 OE1 GLU A 111 -9.591 15.694 -10.683 1.00 2.00 O ATOM 1448 OE2 GLU A 111 -8.424 16.124 -12.443 1.00 2.30 O ATOM 0 H GLU A 111 -9.526 12.090 -10.240 1.00 0.77 H new ATOM 0 HA GLU A 111 -6.740 11.872 -10.580 1.00 0.72 H new ATOM 0 HB2 GLU A 111 -8.422 14.090 -9.310 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -6.754 14.286 -9.812 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -7.288 13.934 -12.134 1.00 1.91 H new ATOM 0 HG3 GLU A 111 -8.853 13.240 -11.758 1.00 1.91 H new ATOM 1455 N GLN A 112 -7.654 12.065 -7.411 1.00 0.61 N ATOM 1456 CA GLN A 112 -7.131 11.838 -6.033 1.00 0.59 C ATOM 1457 C GLN A 112 -6.517 10.439 -5.941 1.00 0.40 C ATOM 1458 O GLN A 112 -5.565 10.215 -5.220 1.00 0.50 O ATOM 1459 CB GLN A 112 -8.275 11.967 -5.025 1.00 0.77 C ATOM 1460 CG GLN A 112 -8.674 13.439 -4.898 1.00 0.76 C ATOM 1461 CD GLN A 112 -9.399 13.662 -3.569 1.00 1.87 C ATOM 1462 OE1 GLN A 112 -9.812 12.720 -2.922 1.00 2.70 O ATOM 1463 NE2 GLN A 112 -9.573 14.881 -3.132 1.00 2.26 N ATOM 0 H GLN A 112 -8.650 12.277 -7.469 1.00 0.61 H new ATOM 0 HA GLN A 112 -6.366 12.581 -5.808 1.00 0.59 H new ATOM 0 HB2 GLN A 112 -9.130 11.373 -5.350 1.00 0.77 H new ATOM 0 HB3 GLN A 112 -7.966 11.577 -4.055 1.00 0.77 H new ATOM 0 HG2 GLN A 112 -7.788 14.072 -4.951 1.00 0.76 H new ATOM 0 HG3 GLN A 112 -9.320 13.724 -5.728 1.00 0.76 H new ATOM 0 HE21 GLN A 112 -9.226 15.672 -3.675 1.00 2.26 H new ATOM 0 HE22 GLN A 112 -10.055 15.042 -2.248 1.00 2.26 H new ATOM 1472 N ALA A 113 -7.050 9.497 -6.669 1.00 0.33 N ATOM 1473 CA ALA A 113 -6.492 8.115 -6.627 1.00 0.12 C ATOM 1474 C ALA A 113 -5.174 8.079 -7.407 1.00 0.07 C ATOM 1475 O ALA A 113 -4.281 7.307 -7.112 1.00 0.05 O ATOM 1476 CB ALA A 113 -7.490 7.146 -7.264 1.00 0.26 C ATOM 0 H ALA A 113 -7.848 9.624 -7.291 1.00 0.33 H new ATOM 0 HA ALA A 113 -6.312 7.822 -5.593 1.00 0.12 H new ATOM 0 HB1 ALA A 113 -7.085 6.135 -7.235 1.00 0.26 H new ATOM 0 HB2 ALA A 113 -8.430 7.176 -6.712 1.00 0.26 H new ATOM 0 HB3 ALA A 113 -7.668 7.436 -8.300 1.00 0.26 H new ATOM 1482 N ARG A 114 -5.046 8.913 -8.404 1.00 0.09 N ATOM 1483 CA ARG A 114 -3.791 8.931 -9.207 1.00 0.07 C ATOM 1484 C ARG A 114 -2.666 9.590 -8.402 1.00 0.06 C ATOM 1485 O ARG A 114 -1.504 9.454 -8.727 1.00 0.23 O ATOM 1486 CB ARG A 114 -4.021 9.719 -10.498 1.00 0.12 C ATOM 1487 CG ARG A 114 -3.108 9.170 -11.596 1.00 0.31 C ATOM 1488 CD ARG A 114 -3.458 9.829 -12.931 1.00 0.61 C ATOM 1489 NE ARG A 114 -2.338 9.622 -13.892 1.00 1.04 N ATOM 1490 CZ ARG A 114 -2.505 9.890 -15.158 1.00 1.19 C ATOM 1491 NH1 ARG A 114 -2.853 11.091 -15.529 1.00 1.80 N ATOM 1492 NH2 ARG A 114 -2.321 8.958 -16.052 1.00 1.14 N ATOM 0 H ARG A 114 -5.757 9.583 -8.697 1.00 0.09 H new ATOM 0 HA ARG A 114 -3.507 7.907 -9.449 1.00 0.07 H new ATOM 0 HB2 ARG A 114 -5.064 9.641 -10.804 1.00 0.12 H new ATOM 0 HB3 ARG A 114 -3.815 10.777 -10.333 1.00 0.12 H new ATOM 0 HG2 ARG A 114 -2.065 9.363 -11.346 1.00 0.31 H new ATOM 0 HG3 ARG A 114 -3.223 8.089 -11.672 1.00 0.31 H new ATOM 0 HD2 ARG A 114 -4.378 9.402 -13.330 1.00 0.61 H new ATOM 0 HD3 ARG A 114 -3.637 10.895 -12.788 1.00 0.61 H new ATOM 0 HE ARG A 114 -1.440 9.270 -13.560 1.00 1.04 H new ATOM 0 HH11 ARG A 114 -2.994 11.820 -14.830 1.00 1.80 H new ATOM 0 HH12 ARG A 114 -2.984 11.301 -16.518 1.00 1.80 H new ATOM 0 HH21 ARG A 114 -2.047 8.020 -15.761 1.00 1.14 H new ATOM 0 HH22 ARG A 114 -2.452 9.168 -17.042 1.00 1.14 H new ATOM 1506 N ALA A 115 -2.994 10.302 -7.358 1.00 0.13 N ATOM 1507 CA ALA A 115 -1.932 10.958 -6.546 1.00 0.15 C ATOM 1508 C ALA A 115 -1.293 9.925 -5.615 1.00 0.13 C ATOM 1509 O ALA A 115 -0.103 9.947 -5.373 1.00 0.08 O ATOM 1510 CB ALA A 115 -2.544 12.087 -5.713 1.00 0.22 C ATOM 0 H ALA A 115 -3.949 10.457 -7.034 1.00 0.13 H new ATOM 0 HA ALA A 115 -1.172 11.371 -7.209 1.00 0.15 H new ATOM 0 HB1 ALA A 115 -1.765 12.565 -5.120 1.00 0.22 H new ATOM 0 HB2 ALA A 115 -2.998 12.823 -6.376 1.00 0.22 H new ATOM 0 HB3 ALA A 115 -3.305 11.678 -5.049 1.00 0.22 H new ATOM 1516 N VAL A 116 -2.073 9.018 -5.090 1.00 0.17 N ATOM 1517 CA VAL A 116 -1.502 7.989 -4.178 1.00 0.16 C ATOM 1518 C VAL A 116 -0.731 6.950 -5.000 1.00 0.12 C ATOM 1519 O VAL A 116 0.268 6.419 -4.565 1.00 0.16 O ATOM 1520 CB VAL A 116 -2.633 7.317 -3.375 1.00 0.19 C ATOM 1521 CG1 VAL A 116 -3.416 6.329 -4.250 1.00 0.44 C ATOM 1522 CG2 VAL A 116 -2.028 6.569 -2.185 1.00 0.62 C ATOM 0 H VAL A 116 -3.077 8.946 -5.253 1.00 0.17 H new ATOM 0 HA VAL A 116 -0.815 8.462 -3.476 1.00 0.16 H new ATOM 0 HB VAL A 116 -3.319 8.089 -3.027 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -4.208 5.869 -3.659 1.00 0.44 H new ATOM 0 HG12 VAL A 116 -3.855 6.860 -5.095 1.00 0.44 H new ATOM 0 HG13 VAL A 116 -2.742 5.556 -4.618 1.00 0.44 H new ATOM 0 HG21 VAL A 116 -2.823 6.091 -1.613 1.00 0.62 H new ATOM 0 HG22 VAL A 116 -1.335 5.809 -2.547 1.00 0.62 H new ATOM 0 HG23 VAL A 116 -1.494 7.273 -1.546 1.00 0.62 H new ATOM 1532 N GLN A 117 -1.191 6.656 -6.187 1.00 0.15 N ATOM 1533 CA GLN A 117 -0.490 5.661 -7.038 1.00 0.26 C ATOM 1534 C GLN A 117 0.740 6.310 -7.674 1.00 0.34 C ATOM 1535 O GLN A 117 1.738 5.663 -7.920 1.00 0.45 O ATOM 1536 CB GLN A 117 -1.440 5.186 -8.136 1.00 0.25 C ATOM 1537 CG GLN A 117 -0.747 4.117 -8.973 1.00 0.56 C ATOM 1538 CD GLN A 117 -0.962 4.407 -10.460 1.00 0.54 C ATOM 1539 OE1 GLN A 117 -2.009 4.115 -11.003 1.00 0.81 O ATOM 1540 NE2 GLN A 117 -0.007 4.972 -11.146 1.00 1.61 N ATOM 0 H GLN A 117 -2.027 7.067 -6.603 1.00 0.15 H new ATOM 0 HA GLN A 117 -0.176 4.813 -6.430 1.00 0.26 H new ATOM 0 HB2 GLN A 117 -2.352 4.784 -7.695 1.00 0.25 H new ATOM 0 HB3 GLN A 117 -1.734 6.025 -8.767 1.00 0.25 H new ATOM 0 HG2 GLN A 117 0.319 4.098 -8.747 1.00 0.56 H new ATOM 0 HG3 GLN A 117 -1.143 3.133 -8.724 1.00 0.56 H new ATOM 0 HE21 GLN A 117 0.872 5.217 -10.690 1.00 1.61 H new ATOM 0 HE22 GLN A 117 -0.139 5.169 -12.138 1.00 1.61 H new ATOM 1549 N MET A 118 0.675 7.585 -7.941 1.00 0.61 N ATOM 1550 CA MET A 118 1.841 8.278 -8.560 1.00 0.76 C ATOM 1551 C MET A 118 3.017 8.245 -7.586 1.00 0.65 C ATOM 1552 O MET A 118 4.072 7.730 -7.892 1.00 0.52 O ATOM 1553 CB MET A 118 1.469 9.728 -8.873 1.00 0.96 C ATOM 1554 CG MET A 118 0.991 9.828 -10.322 1.00 1.06 C ATOM 1555 SD MET A 118 1.679 11.318 -11.083 1.00 2.28 S ATOM 1556 CE MET A 118 0.109 12.172 -11.366 1.00 2.28 C ATOM 0 H MET A 118 -0.135 8.177 -7.758 1.00 0.61 H new ATOM 0 HA MET A 118 2.120 7.774 -9.486 1.00 0.76 H new ATOM 0 HB2 MET A 118 0.686 10.068 -8.196 1.00 0.96 H new ATOM 0 HB3 MET A 118 2.330 10.378 -8.717 1.00 0.96 H new ATOM 0 HG2 MET A 118 1.302 8.945 -10.880 1.00 1.06 H new ATOM 0 HG3 MET A 118 -0.098 9.859 -10.356 1.00 1.06 H new ATOM 0 HE1 MET A 118 0.299 13.136 -11.838 1.00 2.28 H new ATOM 0 HE2 MET A 118 -0.522 11.567 -12.017 1.00 2.28 H new ATOM 0 HE3 MET A 118 -0.397 12.328 -10.413 1.00 2.28 H new ATOM 1566 N SER A 119 2.841 8.780 -6.407 1.00 0.71 N ATOM 1567 CA SER A 119 3.949 8.763 -5.413 1.00 0.61 C ATOM 1568 C SER A 119 4.256 7.309 -5.053 1.00 0.50 C ATOM 1569 O SER A 119 5.397 6.901 -4.974 1.00 0.41 O ATOM 1570 CB SER A 119 3.522 9.520 -4.155 1.00 0.70 C ATOM 1571 OG SER A 119 3.972 10.866 -4.241 1.00 1.08 O ATOM 0 H SER A 119 1.980 9.226 -6.092 1.00 0.71 H new ATOM 0 HA SER A 119 4.834 9.241 -5.833 1.00 0.61 H new ATOM 0 HB2 SER A 119 2.437 9.493 -4.051 1.00 0.70 H new ATOM 0 HB3 SER A 119 3.939 9.041 -3.269 1.00 0.70 H new ATOM 0 HG SER A 119 3.227 11.473 -4.048 1.00 1.08 H new ATOM 1577 N THR A 120 3.234 6.525 -4.847 1.00 0.54 N ATOM 1578 CA THR A 120 3.437 5.091 -4.503 1.00 0.52 C ATOM 1579 C THR A 120 4.239 4.415 -5.622 1.00 0.51 C ATOM 1580 O THR A 120 4.891 3.412 -5.411 1.00 0.50 O ATOM 1581 CB THR A 120 2.062 4.416 -4.339 1.00 0.66 C ATOM 1582 OG1 THR A 120 1.458 4.870 -3.138 1.00 1.96 O ATOM 1583 CG2 THR A 120 2.210 2.895 -4.281 1.00 1.08 C ATOM 0 H THR A 120 2.259 6.820 -4.903 1.00 0.54 H new ATOM 0 HA THR A 120 3.991 4.999 -3.569 1.00 0.52 H new ATOM 0 HB THR A 120 1.441 4.677 -5.196 1.00 0.66 H new ATOM 0 HG1 THR A 120 0.636 5.360 -3.350 1.00 1.96 H new ATOM 0 HG21 THR A 120 1.227 2.438 -4.165 1.00 1.08 H new ATOM 0 HG22 THR A 120 2.669 2.539 -5.203 1.00 1.08 H new ATOM 0 HG23 THR A 120 2.839 2.623 -3.434 1.00 1.08 H new ATOM 1591 N LYS A 121 4.211 4.966 -6.804 1.00 0.53 N ATOM 1592 CA LYS A 121 4.985 4.368 -7.926 1.00 0.52 C ATOM 1593 C LYS A 121 6.399 4.941 -7.888 1.00 0.48 C ATOM 1594 O LYS A 121 7.354 4.313 -8.298 1.00 0.44 O ATOM 1595 CB LYS A 121 4.322 4.728 -9.257 1.00 0.55 C ATOM 1596 CG LYS A 121 3.281 3.666 -9.616 1.00 0.83 C ATOM 1597 CD LYS A 121 3.758 2.873 -10.834 1.00 0.36 C ATOM 1598 CE LYS A 121 2.589 2.073 -11.412 1.00 1.55 C ATOM 1599 NZ LYS A 121 3.061 1.282 -12.583 1.00 1.26 N ATOM 0 H LYS A 121 3.684 5.807 -7.041 1.00 0.53 H new ATOM 0 HA LYS A 121 5.014 3.283 -7.828 1.00 0.52 H new ATOM 0 HB2 LYS A 121 3.848 5.707 -9.186 1.00 0.55 H new ATOM 0 HB3 LYS A 121 5.074 4.795 -10.043 1.00 0.55 H new ATOM 0 HG2 LYS A 121 3.124 2.995 -8.771 1.00 0.83 H new ATOM 0 HG3 LYS A 121 2.323 4.139 -9.830 1.00 0.83 H new ATOM 0 HD2 LYS A 121 4.157 3.551 -11.589 1.00 0.36 H new ATOM 0 HD3 LYS A 121 4.567 2.201 -10.549 1.00 0.36 H new ATOM 0 HE2 LYS A 121 2.178 1.408 -10.652 1.00 1.55 H new ATOM 0 HE3 LYS A 121 1.787 2.747 -11.714 1.00 1.55 H new ATOM 0 HZ1 LYS A 121 2.267 0.738 -12.977 1.00 1.26 H new ATOM 0 HZ2 LYS A 121 3.434 1.926 -13.310 1.00 1.26 H new ATOM 0 HZ3 LYS A 121 3.812 0.629 -12.281 1.00 1.26 H new ATOM 1613 N VAL A 122 6.529 6.137 -7.390 1.00 0.49 N ATOM 1614 CA VAL A 122 7.862 6.781 -7.304 1.00 0.47 C ATOM 1615 C VAL A 122 8.749 5.996 -6.339 1.00 0.30 C ATOM 1616 O VAL A 122 9.947 5.964 -6.493 1.00 0.18 O ATOM 1617 CB VAL A 122 7.685 8.215 -6.807 1.00 0.57 C ATOM 1618 CG1 VAL A 122 9.050 8.891 -6.654 1.00 0.56 C ATOM 1619 CG2 VAL A 122 6.854 8.991 -7.826 1.00 0.72 C ATOM 0 H VAL A 122 5.757 6.701 -7.035 1.00 0.49 H new ATOM 0 HA VAL A 122 8.336 6.791 -8.285 1.00 0.47 H new ATOM 0 HB VAL A 122 7.183 8.203 -5.840 1.00 0.57 H new ATOM 0 HG11 VAL A 122 8.912 9.912 -6.299 1.00 0.56 H new ATOM 0 HG12 VAL A 122 9.653 8.335 -5.935 1.00 0.56 H new ATOM 0 HG13 VAL A 122 9.558 8.907 -7.618 1.00 0.56 H new ATOM 0 HG21 VAL A 122 6.721 10.017 -7.482 1.00 0.72 H new ATOM 0 HG22 VAL A 122 7.368 8.995 -8.787 1.00 0.72 H new ATOM 0 HG23 VAL A 122 5.879 8.516 -7.937 1.00 0.72 H new ATOM 1629 N LEU A 123 8.179 5.357 -5.349 1.00 0.28 N ATOM 1630 CA LEU A 123 9.024 4.571 -4.398 1.00 0.15 C ATOM 1631 C LEU A 123 9.361 3.220 -5.031 1.00 0.05 C ATOM 1632 O LEU A 123 10.423 2.670 -4.827 1.00 0.18 O ATOM 1633 CB LEU A 123 8.266 4.325 -3.085 1.00 0.27 C ATOM 1634 CG LEU A 123 8.136 5.623 -2.275 1.00 0.22 C ATOM 1635 CD1 LEU A 123 9.490 6.327 -2.169 1.00 0.49 C ATOM 1636 CD2 LEU A 123 7.130 6.546 -2.959 1.00 0.45 C ATOM 0 H LEU A 123 7.177 5.344 -5.159 1.00 0.28 H new ATOM 0 HA LEU A 123 9.934 5.133 -4.186 1.00 0.15 H new ATOM 0 HB2 LEU A 123 7.275 3.926 -3.302 1.00 0.27 H new ATOM 0 HB3 LEU A 123 8.789 3.574 -2.494 1.00 0.27 H new ATOM 0 HG LEU A 123 7.791 5.380 -1.270 1.00 0.22 H new ATOM 0 HD11 LEU A 123 9.379 7.245 -1.592 1.00 0.49 H new ATOM 0 HD12 LEU A 123 10.204 5.670 -1.672 1.00 0.49 H new ATOM 0 HD13 LEU A 123 9.854 6.568 -3.168 1.00 0.49 H new ATOM 0 HD21 LEU A 123 7.035 7.469 -2.387 1.00 0.45 H new ATOM 0 HD22 LEU A 123 7.475 6.778 -3.966 1.00 0.45 H new ATOM 0 HD23 LEU A 123 6.160 6.051 -3.013 1.00 0.45 H new ATOM 1648 N ILE A 124 8.456 2.686 -5.796 1.00 0.17 N ATOM 1649 CA ILE A 124 8.699 1.369 -6.451 1.00 0.29 C ATOM 1650 C ILE A 124 9.896 1.485 -7.394 1.00 0.29 C ATOM 1651 O ILE A 124 10.793 0.665 -7.379 1.00 0.29 O ATOM 1652 CB ILE A 124 7.449 0.962 -7.240 1.00 0.42 C ATOM 1653 CG1 ILE A 124 6.291 0.729 -6.266 1.00 0.68 C ATOM 1654 CG2 ILE A 124 7.719 -0.326 -8.019 1.00 0.27 C ATOM 1655 CD1 ILE A 124 4.999 0.496 -7.052 1.00 0.88 C ATOM 0 H ILE A 124 7.549 3.107 -5.999 1.00 0.17 H new ATOM 0 HA ILE A 124 8.912 0.612 -5.696 1.00 0.29 H new ATOM 0 HB ILE A 124 7.192 1.757 -7.940 1.00 0.42 H new ATOM 0 HG12 ILE A 124 6.503 -0.132 -5.632 1.00 0.68 H new ATOM 0 HG13 ILE A 124 6.178 1.590 -5.607 1.00 0.68 H new ATOM 0 HG21 ILE A 124 6.826 -0.608 -8.577 1.00 0.27 H new ATOM 0 HG22 ILE A 124 8.544 -0.165 -8.713 1.00 0.27 H new ATOM 0 HG23 ILE A 124 7.980 -1.124 -7.324 1.00 0.27 H new ATOM 0 HD11 ILE A 124 4.175 0.330 -6.357 1.00 0.88 H new ATOM 0 HD12 ILE A 124 4.785 1.370 -7.667 1.00 0.88 H new ATOM 0 HD13 ILE A 124 5.115 -0.378 -7.692 1.00 0.88 H new ATOM 1667 N GLN A 125 9.920 2.498 -8.213 1.00 0.29 N ATOM 1668 CA GLN A 125 11.050 2.670 -9.150 1.00 0.29 C ATOM 1669 C GLN A 125 12.269 3.186 -8.382 1.00 0.20 C ATOM 1670 O GLN A 125 13.382 2.746 -8.593 1.00 0.21 O ATOM 1671 CB GLN A 125 10.639 3.681 -10.217 1.00 0.32 C ATOM 1672 CG GLN A 125 10.013 2.942 -11.399 1.00 0.50 C ATOM 1673 CD GLN A 125 9.686 3.941 -12.513 1.00 1.15 C ATOM 1674 OE1 GLN A 125 9.569 5.125 -12.267 1.00 1.66 O ATOM 1675 NE2 GLN A 125 9.528 3.511 -13.736 1.00 1.40 N ATOM 0 H GLN A 125 9.198 3.216 -8.270 1.00 0.29 H new ATOM 0 HA GLN A 125 11.305 1.720 -9.620 1.00 0.29 H new ATOM 0 HB2 GLN A 125 9.928 4.396 -9.802 1.00 0.32 H new ATOM 0 HB3 GLN A 125 11.507 4.251 -10.548 1.00 0.32 H new ATOM 0 HG2 GLN A 125 10.699 2.180 -11.769 1.00 0.50 H new ATOM 0 HG3 GLN A 125 9.107 2.427 -11.081 1.00 0.50 H new ATOM 0 HE21 GLN A 125 9.626 2.517 -13.944 1.00 1.40 H new ATOM 0 HE22 GLN A 125 9.307 4.169 -14.483 1.00 1.40 H new ATOM 1684 N PHE A 126 12.062 4.110 -7.483 1.00 0.15 N ATOM 1685 CA PHE A 126 13.206 4.649 -6.692 1.00 0.12 C ATOM 1686 C PHE A 126 13.761 3.556 -5.775 1.00 0.26 C ATOM 1687 O PHE A 126 14.819 3.700 -5.214 1.00 0.52 O ATOM 1688 CB PHE A 126 12.742 5.823 -5.826 1.00 0.02 C ATOM 1689 CG PHE A 126 12.698 7.088 -6.651 1.00 0.06 C ATOM 1690 CD1 PHE A 126 12.014 7.108 -7.870 1.00 0.15 C ATOM 1691 CD2 PHE A 126 13.347 8.243 -6.193 1.00 0.24 C ATOM 1692 CE1 PHE A 126 11.977 8.283 -8.634 1.00 0.14 C ATOM 1693 CE2 PHE A 126 13.309 9.417 -6.955 1.00 0.29 C ATOM 1694 CZ PHE A 126 12.625 9.436 -8.176 1.00 0.17 C ATOM 0 H PHE A 126 11.152 4.514 -7.262 1.00 0.15 H new ATOM 0 HA PHE A 126 13.978 4.986 -7.384 1.00 0.12 H new ATOM 0 HB2 PHE A 126 11.755 5.614 -5.414 1.00 0.02 H new ATOM 0 HB3 PHE A 126 13.419 5.953 -4.982 1.00 0.02 H new ATOM 0 HD1 PHE A 126 11.514 6.218 -8.223 1.00 0.15 H new ATOM 0 HD2 PHE A 126 13.877 8.227 -5.252 1.00 0.24 H new ATOM 0 HE1 PHE A 126 11.449 8.298 -9.576 1.00 0.14 H new ATOM 0 HE2 PHE A 126 13.807 10.307 -6.601 1.00 0.29 H new ATOM 0 HZ PHE A 126 12.597 10.341 -8.765 1.00 0.17 H new ATOM 1704 N LEU A 127 13.056 2.471 -5.603 1.00 0.44 N ATOM 1705 CA LEU A 127 13.567 1.396 -4.707 1.00 0.50 C ATOM 1706 C LEU A 127 14.413 0.414 -5.518 1.00 0.36 C ATOM 1707 O LEU A 127 15.564 0.171 -5.212 1.00 0.23 O ATOM 1708 CB LEU A 127 12.389 0.658 -4.073 1.00 0.69 C ATOM 1709 CG LEU A 127 11.859 1.472 -2.893 1.00 1.00 C ATOM 1710 CD1 LEU A 127 10.462 0.975 -2.516 1.00 1.81 C ATOM 1711 CD2 LEU A 127 12.799 1.306 -1.699 1.00 0.86 C ATOM 0 H LEU A 127 12.154 2.283 -6.041 1.00 0.44 H new ATOM 0 HA LEU A 127 14.181 1.838 -3.922 1.00 0.50 H new ATOM 0 HB2 LEU A 127 11.600 0.508 -4.810 1.00 0.69 H new ATOM 0 HB3 LEU A 127 12.703 -0.330 -3.736 1.00 0.69 H new ATOM 0 HG LEU A 127 11.806 2.525 -3.171 1.00 1.00 H new ATOM 0 HD11 LEU A 127 10.084 1.556 -1.674 1.00 1.81 H new ATOM 0 HD12 LEU A 127 9.792 1.092 -3.368 1.00 1.81 H new ATOM 0 HD13 LEU A 127 10.513 -0.077 -2.237 1.00 1.81 H new ATOM 0 HD21 LEU A 127 12.423 1.886 -0.856 1.00 0.86 H new ATOM 0 HD22 LEU A 127 12.851 0.253 -1.421 1.00 0.86 H new ATOM 0 HD23 LEU A 127 13.794 1.660 -1.967 1.00 0.86 H new ATOM 1723 N GLN A 128 13.853 -0.152 -6.549 1.00 0.46 N ATOM 1724 CA GLN A 128 14.623 -1.116 -7.381 1.00 0.36 C ATOM 1725 C GLN A 128 15.877 -0.427 -7.920 1.00 0.25 C ATOM 1726 O GLN A 128 16.904 -1.045 -8.116 1.00 0.31 O ATOM 1727 CB GLN A 128 13.757 -1.589 -8.549 1.00 0.52 C ATOM 1728 CG GLN A 128 12.912 -2.784 -8.108 1.00 0.88 C ATOM 1729 CD GLN A 128 11.887 -3.113 -9.192 1.00 0.92 C ATOM 1730 OE1 GLN A 128 11.786 -2.413 -10.181 1.00 0.81 O ATOM 1731 NE2 GLN A 128 11.116 -4.155 -9.050 1.00 1.74 N ATOM 0 H GLN A 128 12.893 0.012 -6.852 1.00 0.46 H new ATOM 0 HA GLN A 128 14.910 -1.975 -6.774 1.00 0.36 H new ATOM 0 HB2 GLN A 128 13.111 -0.779 -8.888 1.00 0.52 H new ATOM 0 HB3 GLN A 128 14.388 -1.868 -9.393 1.00 0.52 H new ATOM 0 HG2 GLN A 128 13.552 -3.647 -7.924 1.00 0.88 H new ATOM 0 HG3 GLN A 128 12.405 -2.558 -7.170 1.00 0.88 H new ATOM 0 HE21 GLN A 128 11.200 -4.743 -8.221 1.00 1.74 H new ATOM 0 HE22 GLN A 128 10.429 -4.383 -9.768 1.00 1.74 H new ATOM 1740 N LYS A 129 15.801 0.855 -8.162 1.00 0.29 N ATOM 1741 CA LYS A 129 16.988 1.587 -8.686 1.00 0.37 C ATOM 1742 C LYS A 129 17.849 2.060 -7.513 1.00 0.43 C ATOM 1743 O LYS A 129 19.056 1.918 -7.521 1.00 0.47 O ATOM 1744 CB LYS A 129 16.525 2.797 -9.501 1.00 0.54 C ATOM 1745 CG LYS A 129 16.473 2.423 -10.984 1.00 0.65 C ATOM 1746 CD LYS A 129 15.017 2.218 -11.408 1.00 1.60 C ATOM 1747 CE LYS A 129 14.496 0.905 -10.820 1.00 3.41 C ATOM 1748 NZ LYS A 129 13.440 0.346 -11.711 1.00 4.60 N ATOM 0 H LYS A 129 14.968 1.426 -8.019 1.00 0.29 H new ATOM 0 HA LYS A 129 17.572 0.924 -9.324 1.00 0.37 H new ATOM 0 HB2 LYS A 129 15.541 3.122 -9.162 1.00 0.54 H new ATOM 0 HB3 LYS A 129 17.207 3.634 -9.350 1.00 0.54 H new ATOM 0 HG2 LYS A 129 16.930 3.209 -11.584 1.00 0.65 H new ATOM 0 HG3 LYS A 129 17.046 1.513 -11.161 1.00 0.65 H new ATOM 0 HD2 LYS A 129 14.405 3.052 -11.063 1.00 1.60 H new ATOM 0 HD3 LYS A 129 14.943 2.197 -12.495 1.00 1.60 H new ATOM 0 HE2 LYS A 129 15.313 0.192 -10.715 1.00 3.41 H new ATOM 0 HE3 LYS A 129 14.092 1.076 -9.822 1.00 3.41 H new ATOM 0 HZ1 LYS A 129 13.086 -0.546 -11.312 1.00 4.60 H new ATOM 0 HZ2 LYS A 129 12.657 1.025 -11.789 1.00 4.60 H new ATOM 0 HZ3 LYS A 129 13.840 0.168 -12.654 1.00 4.60 H new ATOM 1762 N LYS A 130 17.238 2.618 -6.501 1.00 0.50 N ATOM 1763 CA LYS A 130 18.024 3.095 -5.325 1.00 0.58 C ATOM 1764 C LYS A 130 18.140 1.983 -4.289 1.00 0.56 C ATOM 1765 O LYS A 130 18.359 2.240 -3.121 1.00 0.73 O ATOM 1766 CB LYS A 130 17.336 4.300 -4.688 1.00 0.68 C ATOM 1767 CG LYS A 130 18.361 5.122 -3.911 1.00 1.02 C ATOM 1768 CD LYS A 130 18.170 4.891 -2.411 1.00 0.66 C ATOM 1769 CE LYS A 130 19.506 4.496 -1.781 1.00 1.79 C ATOM 1770 NZ LYS A 130 19.591 5.060 -0.404 1.00 2.19 N ATOM 0 H LYS A 130 16.230 2.764 -6.438 1.00 0.50 H new ATOM 0 HA LYS A 130 19.019 3.382 -5.666 1.00 0.58 H new ATOM 0 HB2 LYS A 130 16.870 4.915 -5.458 1.00 0.68 H new ATOM 0 HB3 LYS A 130 16.541 3.967 -4.021 1.00 0.68 H new ATOM 0 HG2 LYS A 130 19.371 4.838 -4.208 1.00 1.02 H new ATOM 0 HG3 LYS A 130 18.246 6.181 -4.144 1.00 1.02 H new ATOM 0 HD2 LYS A 130 17.787 5.796 -1.939 1.00 0.66 H new ATOM 0 HD3 LYS A 130 17.431 4.107 -2.244 1.00 0.66 H new ATOM 0 HE2 LYS A 130 19.598 3.410 -1.747 1.00 1.79 H new ATOM 0 HE3 LYS A 130 20.331 4.867 -2.389 1.00 1.79 H new ATOM 0 HZ1 LYS A 130 20.415 4.656 0.086 1.00 2.19 H new ATOM 0 HZ2 LYS A 130 19.692 6.094 -0.458 1.00 2.19 H new ATOM 0 HZ3 LYS A 130 18.725 4.824 0.122 1.00 2.19 H new ATOM 1784 N ALA A 131 18.008 0.752 -4.697 1.00 0.37 N ATOM 1785 CA ALA A 131 18.139 -0.356 -3.720 1.00 0.34 C ATOM 1786 C ALA A 131 19.614 -0.747 -3.618 1.00 0.30 C ATOM 1787 O ALA A 131 19.971 -1.902 -3.734 1.00 0.15 O ATOM 1788 CB ALA A 131 17.314 -1.562 -4.176 1.00 0.28 C ATOM 0 H ALA A 131 17.816 0.470 -5.658 1.00 0.37 H new ATOM 0 HA ALA A 131 17.770 -0.032 -2.747 1.00 0.34 H new ATOM 0 HB1 ALA A 131 17.418 -2.369 -3.451 1.00 0.28 H new ATOM 0 HB2 ALA A 131 16.265 -1.277 -4.254 1.00 0.28 H new ATOM 0 HB3 ALA A 131 17.671 -1.900 -5.149 1.00 0.28 H new ATOM 1794 N LYS A 132 20.481 0.208 -3.409 1.00 0.63 N ATOM 1795 CA LYS A 132 21.926 -0.120 -3.296 1.00 0.72 C ATOM 1796 C LYS A 132 22.121 -1.081 -2.122 1.00 0.88 C ATOM 1797 O LYS A 132 21.477 -0.961 -1.098 1.00 0.94 O ATOM 1798 CB LYS A 132 22.727 1.161 -3.050 1.00 0.81 C ATOM 1799 CG LYS A 132 22.081 1.960 -1.914 1.00 1.05 C ATOM 1800 CD LYS A 132 22.995 1.930 -0.686 1.00 1.34 C ATOM 1801 CE LYS A 132 22.225 2.436 0.535 1.00 1.65 C ATOM 1802 NZ LYS A 132 22.965 3.572 1.153 1.00 1.83 N ATOM 0 H LYS A 132 20.249 1.197 -3.312 1.00 0.63 H new ATOM 0 HA LYS A 132 22.274 -0.585 -4.218 1.00 0.72 H new ATOM 0 HB2 LYS A 132 23.758 0.914 -2.794 1.00 0.81 H new ATOM 0 HB3 LYS A 132 22.759 1.762 -3.959 1.00 0.81 H new ATOM 0 HG2 LYS A 132 21.912 2.989 -2.230 1.00 1.05 H new ATOM 0 HG3 LYS A 132 21.107 1.538 -1.666 1.00 1.05 H new ATOM 0 HD2 LYS A 132 23.352 0.915 -0.510 1.00 1.34 H new ATOM 0 HD3 LYS A 132 23.874 2.551 -0.858 1.00 1.34 H new ATOM 0 HE2 LYS A 132 21.225 2.756 0.241 1.00 1.65 H new ATOM 0 HE3 LYS A 132 22.102 1.631 1.260 1.00 1.65 H new ATOM 0 HZ1 LYS A 132 22.442 3.916 1.983 1.00 1.83 H new ATOM 0 HZ2 LYS A 132 23.910 3.252 1.447 1.00 1.83 H new ATOM 0 HZ3 LYS A 132 23.061 4.342 0.460 1.00 1.83 H new ATOM 1816 N ASN A 133 22.993 -2.037 -2.260 1.00 0.97 N ATOM 1817 CA ASN A 133 23.214 -3.006 -1.151 1.00 1.13 C ATOM 1818 C ASN A 133 21.890 -3.680 -0.802 1.00 1.09 C ATOM 1819 O ASN A 133 21.596 -3.953 0.346 1.00 1.15 O ATOM 1820 CB ASN A 133 23.765 -2.274 0.075 1.00 1.25 C ATOM 1821 CG ASN A 133 25.046 -2.963 0.551 1.00 1.24 C ATOM 1822 OD1 ASN A 133 26.103 -2.764 -0.016 1.00 1.42 O ATOM 1823 ND2 ASN A 133 24.997 -3.770 1.575 1.00 1.87 N ATOM 0 H ASN A 133 23.563 -2.191 -3.092 1.00 0.97 H new ATOM 0 HA ASN A 133 23.935 -3.761 -1.464 1.00 1.13 H new ATOM 0 HB2 ASN A 133 23.971 -1.233 -0.173 1.00 1.25 H new ATOM 0 HB3 ASN A 133 23.023 -2.271 0.874 1.00 1.25 H new ATOM 0 HD21 ASN A 133 25.845 -4.234 1.900 1.00 1.87 H new ATOM 0 HD22 ASN A 133 24.110 -3.937 2.051 1.00 1.87 H new ATOM 1830 N LEU A 134 21.101 -3.960 -1.796 1.00 0.98 N ATOM 1831 CA LEU A 134 19.792 -4.631 -1.566 1.00 0.93 C ATOM 1832 C LEU A 134 19.694 -5.835 -2.498 1.00 1.10 C ATOM 1833 O LEU A 134 20.696 -6.411 -2.877 1.00 1.70 O ATOM 1834 CB LEU A 134 18.645 -3.650 -1.825 1.00 0.61 C ATOM 1835 CG LEU A 134 17.726 -3.590 -0.598 1.00 1.15 C ATOM 1836 CD1 LEU A 134 17.221 -4.992 -0.237 1.00 1.92 C ATOM 1837 CD2 LEU A 134 18.503 -3.011 0.585 1.00 2.10 C ATOM 0 H LEU A 134 21.308 -3.750 -2.772 1.00 0.98 H new ATOM 0 HA LEU A 134 19.719 -4.966 -0.531 1.00 0.93 H new ATOM 0 HB2 LEU A 134 19.044 -2.659 -2.041 1.00 0.61 H new ATOM 0 HB3 LEU A 134 18.077 -3.963 -2.701 1.00 0.61 H new ATOM 0 HG LEU A 134 16.869 -2.957 -0.829 1.00 1.15 H new ATOM 0 HD11 LEU A 134 16.571 -4.931 0.636 1.00 1.92 H new ATOM 0 HD12 LEU A 134 16.663 -5.405 -1.077 1.00 1.92 H new ATOM 0 HD13 LEU A 134 18.070 -5.638 -0.012 1.00 1.92 H new ATOM 0 HD21 LEU A 134 17.854 -2.966 1.460 1.00 2.10 H new ATOM 0 HD22 LEU A 134 19.362 -3.646 0.802 1.00 2.10 H new ATOM 0 HD23 LEU A 134 18.848 -2.007 0.337 1.00 2.10 H new ATOM 1849 N ASP A 135 18.511 -6.249 -2.849 1.00 0.90 N ATOM 1850 CA ASP A 135 18.405 -7.451 -3.735 1.00 1.57 C ATOM 1851 C ASP A 135 17.390 -7.275 -4.861 1.00 0.95 C ATOM 1852 O ASP A 135 17.315 -8.100 -5.750 1.00 1.35 O ATOM 1853 CB ASP A 135 18.014 -8.666 -2.894 1.00 2.51 C ATOM 1854 CG ASP A 135 19.274 -9.316 -2.319 1.00 3.34 C ATOM 1855 OD1 ASP A 135 20.145 -9.667 -3.100 1.00 3.46 O ATOM 1856 OD2 ASP A 135 19.348 -9.452 -1.109 1.00 4.14 O ATOM 0 H ASP A 135 17.627 -5.822 -2.571 1.00 0.90 H new ATOM 0 HA ASP A 135 19.381 -7.593 -4.199 1.00 1.57 H new ATOM 0 HB2 ASP A 135 17.347 -8.363 -2.087 1.00 2.51 H new ATOM 0 HB3 ASP A 135 17.468 -9.384 -3.506 1.00 2.51 H new ATOM 1861 N ALA A 136 16.587 -6.249 -4.816 1.00 1.04 N ATOM 1862 CA ALA A 136 15.539 -6.035 -5.866 1.00 0.86 C ATOM 1863 C ALA A 136 14.300 -6.846 -5.499 1.00 0.53 C ATOM 1864 O ALA A 136 13.208 -6.577 -5.959 1.00 0.63 O ATOM 1865 CB ALA A 136 16.039 -6.427 -7.264 1.00 0.81 C ATOM 0 H ALA A 136 16.609 -5.536 -4.087 1.00 1.04 H new ATOM 0 HA ALA A 136 15.296 -4.973 -5.901 1.00 0.86 H new ATOM 0 HB1 ALA A 136 15.248 -6.256 -7.994 1.00 0.81 H new ATOM 0 HB2 ALA A 136 16.908 -5.822 -7.522 1.00 0.81 H new ATOM 0 HB3 ALA A 136 16.316 -7.481 -7.269 1.00 0.81 H new ATOM 1871 N ILE A 137 14.453 -7.790 -4.622 1.00 0.99 N ATOM 1872 CA ILE A 137 13.309 -8.571 -4.151 1.00 1.02 C ATOM 1873 C ILE A 137 12.617 -9.290 -5.312 1.00 1.02 C ATOM 1874 O ILE A 137 13.062 -10.334 -5.747 1.00 2.34 O ATOM 1875 CB ILE A 137 12.389 -7.615 -3.382 1.00 1.04 C ATOM 1876 CG1 ILE A 137 13.044 -7.284 -2.025 1.00 1.40 C ATOM 1877 CG2 ILE A 137 11.033 -8.273 -3.124 1.00 1.13 C ATOM 1878 CD1 ILE A 137 14.474 -6.738 -2.207 1.00 1.36 C ATOM 0 H ILE A 137 15.348 -8.051 -4.208 1.00 0.99 H new ATOM 0 HA ILE A 137 13.623 -9.370 -3.479 1.00 1.02 H new ATOM 0 HB ILE A 137 12.241 -6.710 -3.972 1.00 1.04 H new ATOM 0 HG12 ILE A 137 12.437 -6.549 -1.496 1.00 1.40 H new ATOM 0 HG13 ILE A 137 13.072 -8.180 -1.405 1.00 1.40 H new ATOM 0 HG21 ILE A 137 10.391 -7.582 -2.577 1.00 1.13 H new ATOM 0 HG22 ILE A 137 10.565 -8.527 -4.075 1.00 1.13 H new ATOM 0 HG23 ILE A 137 11.175 -9.179 -2.535 1.00 1.13 H new ATOM 0 HD11 ILE A 137 14.905 -6.515 -1.231 1.00 1.36 H new ATOM 0 HD12 ILE A 137 15.087 -7.484 -2.713 1.00 1.36 H new ATOM 0 HD13 ILE A 137 14.442 -5.828 -2.806 1.00 1.36 H new ATOM 1890 N THR A 138 11.535 -8.774 -5.804 1.00 0.85 N ATOM 1891 CA THR A 138 10.818 -9.460 -6.919 1.00 0.56 C ATOM 1892 C THR A 138 9.618 -8.608 -7.317 1.00 0.55 C ATOM 1893 O THR A 138 9.591 -7.422 -7.083 1.00 0.71 O ATOM 1894 CB THR A 138 10.313 -10.845 -6.463 1.00 0.79 C ATOM 1895 OG1 THR A 138 10.870 -11.194 -5.205 1.00 1.27 O ATOM 1896 CG2 THR A 138 10.702 -11.897 -7.502 1.00 0.63 C ATOM 0 H THR A 138 11.109 -7.904 -5.485 1.00 0.85 H new ATOM 0 HA THR A 138 11.500 -9.590 -7.759 1.00 0.56 H new ATOM 0 HB THR A 138 9.228 -10.804 -6.364 1.00 0.79 H new ATOM 0 HG1 THR A 138 11.794 -11.497 -5.329 1.00 1.27 H new ATOM 0 HG21 THR A 138 10.345 -12.875 -7.180 1.00 0.63 H new ATOM 0 HG22 THR A 138 10.252 -11.644 -8.462 1.00 0.63 H new ATOM 0 HG23 THR A 138 11.787 -11.922 -7.606 1.00 0.63 H new ATOM 1904 N THR A 139 8.619 -9.203 -7.904 1.00 0.60 N ATOM 1905 CA THR A 139 7.421 -8.422 -8.291 1.00 0.84 C ATOM 1906 C THR A 139 6.318 -9.391 -8.755 1.00 0.97 C ATOM 1907 O THR A 139 6.603 -10.346 -9.449 1.00 0.73 O ATOM 1908 CB THR A 139 7.798 -7.438 -9.408 1.00 0.93 C ATOM 1909 OG1 THR A 139 6.813 -6.418 -9.487 1.00 1.29 O ATOM 1910 CG2 THR A 139 7.900 -8.155 -10.761 1.00 0.81 C ATOM 0 H THR A 139 8.583 -10.197 -8.131 1.00 0.60 H new ATOM 0 HA THR A 139 7.047 -7.851 -7.441 1.00 0.84 H new ATOM 0 HB THR A 139 8.770 -7.004 -9.174 1.00 0.93 H new ATOM 0 HG1 THR A 139 7.052 -5.787 -10.198 1.00 1.29 H new ATOM 0 HG21 THR A 139 8.168 -7.436 -11.535 1.00 0.81 H new ATOM 0 HG22 THR A 139 8.665 -8.930 -10.705 1.00 0.81 H new ATOM 0 HG23 THR A 139 6.940 -8.609 -11.005 1.00 0.81 H new ATOM 1958 N THR A 143 0.153 -11.397 -14.537 1.00 0.84 N ATOM 1959 CA THR A 143 -0.632 -12.629 -14.826 1.00 0.54 C ATOM 1960 C THR A 143 -1.139 -13.205 -13.504 1.00 0.40 C ATOM 1961 O THR A 143 -2.296 -13.547 -13.366 1.00 0.37 O ATOM 1962 CB THR A 143 0.257 -13.656 -15.532 1.00 0.41 C ATOM 1963 OG1 THR A 143 1.363 -13.973 -14.698 1.00 0.65 O ATOM 1964 CG2 THR A 143 0.761 -13.074 -16.854 1.00 0.91 C ATOM 0 HA THR A 143 -1.475 -12.390 -15.475 1.00 0.54 H new ATOM 0 HB THR A 143 -0.318 -14.560 -15.733 1.00 0.41 H new ATOM 0 HG1 THR A 143 1.933 -14.632 -15.147 1.00 0.65 H new ATOM 0 HG21 THR A 143 1.394 -13.806 -17.356 1.00 0.91 H new ATOM 0 HG22 THR A 143 -0.089 -12.831 -17.492 1.00 0.91 H new ATOM 0 HG23 THR A 143 1.337 -12.170 -16.657 1.00 0.91 H new ATOM 1972 N THR A 144 -0.283 -13.298 -12.521 1.00 0.49 N ATOM 1973 CA THR A 144 -0.725 -13.830 -11.203 1.00 0.52 C ATOM 1974 C THR A 144 -1.558 -12.755 -10.507 1.00 0.41 C ATOM 1975 O THR A 144 -2.541 -13.036 -9.848 1.00 0.44 O ATOM 1976 CB THR A 144 0.500 -14.169 -10.348 1.00 0.76 C ATOM 1977 OG1 THR A 144 1.416 -14.935 -11.119 1.00 0.83 O ATOM 1978 CG2 THR A 144 0.062 -14.976 -9.125 1.00 0.87 C ATOM 0 H THR A 144 0.699 -13.029 -12.575 1.00 0.49 H new ATOM 0 HA THR A 144 -1.318 -14.734 -11.341 1.00 0.52 H new ATOM 0 HB THR A 144 0.981 -13.248 -10.020 1.00 0.76 H new ATOM 0 HG1 THR A 144 2.201 -15.151 -10.574 1.00 0.83 H new ATOM 0 HG21 THR A 144 0.934 -15.217 -8.517 1.00 0.87 H new ATOM 0 HG22 THR A 144 -0.641 -14.389 -8.534 1.00 0.87 H new ATOM 0 HG23 THR A 144 -0.419 -15.898 -9.451 1.00 0.87 H new ATOM 1986 N ASN A 145 -1.180 -11.517 -10.674 1.00 0.37 N ATOM 1987 CA ASN A 145 -1.955 -10.415 -10.049 1.00 0.30 C ATOM 1988 C ASN A 145 -3.300 -10.282 -10.767 1.00 0.28 C ATOM 1989 O ASN A 145 -4.181 -9.583 -10.315 1.00 0.27 O ATOM 1990 CB ASN A 145 -1.178 -9.101 -10.148 1.00 0.30 C ATOM 1991 CG ASN A 145 -0.848 -8.611 -8.738 1.00 0.24 C ATOM 1992 OD1 ASN A 145 -1.757 -8.698 -7.803 1.00 0.27 O flip ATOM 1993 ND2 ASN A 145 0.245 -8.145 -8.483 1.00 0.21 N flip ATOM 0 H ASN A 145 -0.368 -11.224 -11.217 1.00 0.37 H new ATOM 0 HA ASN A 145 -2.122 -10.640 -8.996 1.00 0.30 H new ATOM 0 HB2 ASN A 145 -0.262 -9.248 -10.720 1.00 0.30 H new ATOM 0 HB3 ASN A 145 -1.768 -8.353 -10.678 1.00 0.30 H new ATOM 0 HD21 ASN A 145 0.954 -8.078 -9.213 1.00 0.21 H new ATOM 0 HD22 ASN A 145 0.454 -7.821 -7.538 1.00 0.21 H new ATOM 2000 N ALA A 146 -3.477 -10.965 -11.870 1.00 0.36 N ATOM 2001 CA ALA A 146 -4.780 -10.894 -12.577 1.00 0.45 C ATOM 2002 C ALA A 146 -5.740 -11.835 -11.861 1.00 0.51 C ATOM 2003 O ALA A 146 -6.934 -11.616 -11.821 1.00 0.63 O ATOM 2004 CB ALA A 146 -4.609 -11.332 -14.034 1.00 0.47 C ATOM 0 H ALA A 146 -2.776 -11.564 -12.305 1.00 0.36 H new ATOM 0 HA ALA A 146 -5.165 -9.874 -12.571 1.00 0.45 H new ATOM 0 HB1 ALA A 146 -5.570 -11.277 -14.546 1.00 0.47 H new ATOM 0 HB2 ALA A 146 -3.895 -10.674 -14.530 1.00 0.47 H new ATOM 0 HB3 ALA A 146 -4.240 -12.357 -14.065 1.00 0.47 H new ATOM 2010 N SER A 147 -5.215 -12.873 -11.266 1.00 0.47 N ATOM 2011 CA SER A 147 -6.083 -13.815 -10.519 1.00 0.61 C ATOM 2012 C SER A 147 -6.464 -13.158 -9.194 1.00 0.57 C ATOM 2013 O SER A 147 -7.591 -13.228 -8.754 1.00 0.61 O ATOM 2014 CB SER A 147 -5.328 -15.117 -10.253 1.00 0.65 C ATOM 2015 OG SER A 147 -6.246 -16.202 -10.257 1.00 0.83 O ATOM 0 H SER A 147 -4.222 -13.105 -11.268 1.00 0.47 H new ATOM 0 HA SER A 147 -6.977 -14.045 -11.098 1.00 0.61 H new ATOM 0 HB2 SER A 147 -4.564 -15.270 -11.015 1.00 0.65 H new ATOM 0 HB3 SER A 147 -4.815 -15.063 -9.293 1.00 0.65 H new ATOM 0 HG SER A 147 -5.764 -17.039 -10.088 1.00 0.83 H new ATOM 2021 N LEU A 148 -5.534 -12.493 -8.560 1.00 0.48 N ATOM 2022 CA LEU A 148 -5.870 -11.812 -7.280 1.00 0.44 C ATOM 2023 C LEU A 148 -6.900 -10.727 -7.584 1.00 0.47 C ATOM 2024 O LEU A 148 -7.881 -10.586 -6.894 1.00 0.50 O ATOM 2025 CB LEU A 148 -4.602 -11.178 -6.672 1.00 0.35 C ATOM 2026 CG LEU A 148 -4.976 -10.046 -5.693 1.00 0.25 C ATOM 2027 CD1 LEU A 148 -5.854 -10.592 -4.565 1.00 0.34 C ATOM 2028 CD2 LEU A 148 -3.709 -9.447 -5.096 1.00 0.36 C ATOM 0 H LEU A 148 -4.567 -12.394 -8.870 1.00 0.48 H new ATOM 0 HA LEU A 148 -6.272 -12.528 -6.563 1.00 0.44 H new ATOM 0 HB2 LEU A 148 -4.022 -11.940 -6.151 1.00 0.35 H new ATOM 0 HB3 LEU A 148 -3.969 -10.784 -7.467 1.00 0.35 H new ATOM 0 HG LEU A 148 -5.527 -9.279 -6.237 1.00 0.25 H new ATOM 0 HD11 LEU A 148 -6.111 -9.784 -3.881 1.00 0.34 H new ATOM 0 HD12 LEU A 148 -6.766 -11.015 -4.986 1.00 0.34 H new ATOM 0 HD13 LEU A 148 -5.311 -11.367 -4.024 1.00 0.34 H new ATOM 0 HD21 LEU A 148 -3.975 -8.647 -4.405 1.00 0.36 H new ATOM 0 HD22 LEU A 148 -3.158 -10.221 -4.561 1.00 0.36 H new ATOM 0 HD23 LEU A 148 -3.086 -9.044 -5.894 1.00 0.36 H new ATOM 2040 N LEU A 149 -6.663 -9.951 -8.602 1.00 0.49 N ATOM 2041 CA LEU A 149 -7.608 -8.858 -8.953 1.00 0.54 C ATOM 2042 C LEU A 149 -8.949 -9.461 -9.359 1.00 0.61 C ATOM 2043 O LEU A 149 -9.989 -8.867 -9.160 1.00 0.58 O ATOM 2044 CB LEU A 149 -7.027 -8.035 -10.113 1.00 0.57 C ATOM 2045 CG LEU A 149 -7.701 -6.660 -10.181 1.00 0.40 C ATOM 2046 CD1 LEU A 149 -7.589 -5.953 -8.827 1.00 0.64 C ATOM 2047 CD2 LEU A 149 -7.009 -5.807 -11.249 1.00 0.38 C ATOM 0 H LEU A 149 -5.848 -10.028 -9.211 1.00 0.49 H new ATOM 0 HA LEU A 149 -7.756 -8.206 -8.092 1.00 0.54 H new ATOM 0 HB2 LEU A 149 -5.952 -7.914 -9.979 1.00 0.57 H new ATOM 0 HB3 LEU A 149 -7.173 -8.566 -11.054 1.00 0.57 H new ATOM 0 HG LEU A 149 -8.753 -6.792 -10.433 1.00 0.40 H new ATOM 0 HD11 LEU A 149 -8.071 -4.977 -8.885 1.00 0.64 H new ATOM 0 HD12 LEU A 149 -8.079 -6.554 -8.061 1.00 0.64 H new ATOM 0 HD13 LEU A 149 -6.538 -5.824 -8.570 1.00 0.64 H new ATOM 0 HD21 LEU A 149 -7.487 -4.829 -11.299 1.00 0.38 H new ATOM 0 HD22 LEU A 149 -5.957 -5.684 -10.991 1.00 0.38 H new ATOM 0 HD23 LEU A 149 -7.090 -6.300 -12.218 1.00 0.38 H new ATOM 2059 N THR A 150 -8.942 -10.644 -9.903 1.00 0.74 N ATOM 2060 CA THR A 150 -10.228 -11.279 -10.286 1.00 0.84 C ATOM 2061 C THR A 150 -10.968 -11.670 -8.996 1.00 0.74 C ATOM 2062 O THR A 150 -12.177 -11.781 -8.959 1.00 0.74 O ATOM 2063 CB THR A 150 -9.950 -12.504 -11.195 1.00 1.01 C ATOM 2064 OG1 THR A 150 -11.051 -12.695 -12.069 1.00 1.39 O ATOM 2065 CG2 THR A 150 -9.725 -13.794 -10.387 1.00 1.32 C ATOM 0 H THR A 150 -8.106 -11.195 -10.098 1.00 0.74 H new ATOM 0 HA THR A 150 -10.856 -10.593 -10.854 1.00 0.84 H new ATOM 0 HB THR A 150 -9.037 -12.298 -11.754 1.00 1.01 H new ATOM 0 HG1 THR A 150 -10.880 -13.467 -12.647 1.00 1.39 H new ATOM 0 HG21 THR A 150 -9.534 -14.622 -11.070 1.00 1.32 H new ATOM 0 HG22 THR A 150 -8.868 -13.664 -9.726 1.00 1.32 H new ATOM 0 HG23 THR A 150 -10.613 -14.011 -9.793 1.00 1.32 H new ATOM 2073 N LYS A 151 -10.224 -11.884 -7.938 1.00 0.69 N ATOM 2074 CA LYS A 151 -10.831 -12.274 -6.637 1.00 0.64 C ATOM 2075 C LYS A 151 -11.303 -11.029 -5.872 1.00 0.55 C ATOM 2076 O LYS A 151 -12.290 -11.076 -5.164 1.00 0.65 O ATOM 2077 CB LYS A 151 -9.784 -13.016 -5.805 1.00 0.63 C ATOM 2078 CG LYS A 151 -10.438 -13.586 -4.545 1.00 0.68 C ATOM 2079 CD LYS A 151 -9.517 -13.359 -3.346 1.00 0.68 C ATOM 2080 CE LYS A 151 -10.028 -12.175 -2.525 1.00 0.87 C ATOM 2081 NZ LYS A 151 -10.316 -12.622 -1.133 1.00 1.23 N ATOM 0 H LYS A 151 -9.207 -11.802 -7.926 1.00 0.69 H new ATOM 0 HA LYS A 151 -11.691 -12.918 -6.821 1.00 0.64 H new ATOM 0 HB2 LYS A 151 -9.341 -13.820 -6.393 1.00 0.63 H new ATOM 0 HB3 LYS A 151 -8.975 -12.338 -5.532 1.00 0.63 H new ATOM 0 HG2 LYS A 151 -11.401 -13.106 -4.373 1.00 0.68 H new ATOM 0 HG3 LYS A 151 -10.631 -14.651 -4.672 1.00 0.68 H new ATOM 0 HD2 LYS A 151 -9.481 -14.255 -2.727 1.00 0.68 H new ATOM 0 HD3 LYS A 151 -8.500 -13.166 -3.687 1.00 0.68 H new ATOM 0 HE2 LYS A 151 -9.285 -11.378 -2.516 1.00 0.87 H new ATOM 0 HE3 LYS A 151 -10.930 -11.765 -2.980 1.00 0.87 H new ATOM 0 HZ1 LYS A 151 -10.664 -11.816 -0.575 1.00 1.23 H new ATOM 0 HZ2 LYS A 151 -11.040 -13.369 -1.151 1.00 1.23 H new ATOM 0 HZ3 LYS A 151 -9.446 -12.993 -0.701 1.00 1.23 H new ATOM 2095 N LEU A 152 -10.631 -9.910 -6.012 1.00 0.41 N ATOM 2096 CA LEU A 152 -11.091 -8.693 -5.290 1.00 0.35 C ATOM 2097 C LEU A 152 -12.382 -8.239 -5.952 1.00 0.39 C ATOM 2098 O LEU A 152 -13.368 -7.950 -5.305 1.00 0.47 O ATOM 2099 CB LEU A 152 -10.058 -7.559 -5.394 1.00 0.36 C ATOM 2100 CG LEU A 152 -8.646 -8.077 -5.105 1.00 0.39 C ATOM 2101 CD1 LEU A 152 -7.624 -7.064 -5.625 1.00 0.52 C ATOM 2102 CD2 LEU A 152 -8.451 -8.250 -3.599 1.00 0.38 C ATOM 0 H LEU A 152 -9.797 -9.792 -6.587 1.00 0.41 H new ATOM 0 HA LEU A 152 -11.232 -8.926 -4.235 1.00 0.35 H new ATOM 0 HB2 LEU A 152 -10.092 -7.121 -6.392 1.00 0.36 H new ATOM 0 HB3 LEU A 152 -10.310 -6.766 -4.689 1.00 0.36 H new ATOM 0 HG LEU A 152 -8.509 -9.038 -5.600 1.00 0.39 H new ATOM 0 HD11 LEU A 152 -6.616 -7.427 -5.422 1.00 0.52 H new ATOM 0 HD12 LEU A 152 -7.754 -6.935 -6.700 1.00 0.52 H new ATOM 0 HD13 LEU A 152 -7.773 -6.107 -5.124 1.00 0.52 H new ATOM 0 HD21 LEU A 152 -7.444 -8.619 -3.402 1.00 0.38 H new ATOM 0 HD22 LEU A 152 -8.589 -7.290 -3.102 1.00 0.38 H new ATOM 0 HD23 LEU A 152 -9.180 -8.965 -3.217 1.00 0.38 H new ATOM 2114 N GLN A 153 -12.376 -8.183 -7.255 1.00 0.36 N ATOM 2115 CA GLN A 153 -13.589 -7.756 -7.990 1.00 0.42 C ATOM 2116 C GLN A 153 -14.675 -8.826 -7.853 1.00 0.55 C ATOM 2117 O GLN A 153 -15.854 -8.535 -7.884 1.00 0.70 O ATOM 2118 CB GLN A 153 -13.250 -7.564 -9.471 1.00 0.61 C ATOM 2119 CG GLN A 153 -12.320 -6.360 -9.633 1.00 0.88 C ATOM 2120 CD GLN A 153 -12.423 -5.826 -11.063 1.00 1.39 C ATOM 2121 OE1 GLN A 153 -13.443 -5.294 -11.454 1.00 0.92 O ATOM 2122 NE2 GLN A 153 -11.401 -5.945 -11.866 1.00 2.42 N ATOM 0 H GLN A 153 -11.575 -8.417 -7.842 1.00 0.36 H new ATOM 0 HA GLN A 153 -13.950 -6.815 -7.574 1.00 0.42 H new ATOM 0 HB2 GLN A 153 -12.772 -8.461 -9.864 1.00 0.61 H new ATOM 0 HB3 GLN A 153 -14.163 -7.411 -10.047 1.00 0.61 H new ATOM 0 HG2 GLN A 153 -12.590 -5.580 -8.922 1.00 0.88 H new ATOM 0 HG3 GLN A 153 -11.292 -6.649 -9.414 1.00 0.88 H new ATOM 0 HE21 GLN A 153 -10.544 -6.391 -11.539 1.00 2.42 H new ATOM 0 HE22 GLN A 153 -11.459 -5.591 -12.821 1.00 2.42 H new ATOM 2131 N ALA A 154 -14.286 -10.063 -7.705 1.00 0.54 N ATOM 2132 CA ALA A 154 -15.296 -11.150 -7.569 1.00 0.72 C ATOM 2133 C ALA A 154 -16.077 -10.961 -6.272 1.00 0.58 C ATOM 2134 O ALA A 154 -17.218 -11.365 -6.158 1.00 0.76 O ATOM 2135 CB ALA A 154 -14.587 -12.506 -7.547 1.00 1.06 C ATOM 0 H ALA A 154 -13.313 -10.367 -7.672 1.00 0.54 H new ATOM 0 HA ALA A 154 -15.984 -11.114 -8.414 1.00 0.72 H new ATOM 0 HB1 ALA A 154 -15.326 -13.301 -7.447 1.00 1.06 H new ATOM 0 HB2 ALA A 154 -14.031 -12.641 -8.475 1.00 1.06 H new ATOM 0 HB3 ALA A 154 -13.898 -12.543 -6.703 1.00 1.06 H new ATOM 2141 N GLN A 155 -15.476 -10.346 -5.295 1.00 0.96 N ATOM 2142 CA GLN A 155 -16.183 -10.124 -4.005 1.00 0.91 C ATOM 2143 C GLN A 155 -17.509 -9.406 -4.271 1.00 0.80 C ATOM 2144 O GLN A 155 -17.584 -8.506 -5.084 1.00 1.03 O ATOM 2145 CB GLN A 155 -15.308 -9.258 -3.101 1.00 0.87 C ATOM 2146 CG GLN A 155 -13.944 -9.928 -2.916 1.00 0.96 C ATOM 2147 CD GLN A 155 -13.446 -9.694 -1.487 1.00 1.86 C ATOM 2148 OE1 GLN A 155 -12.588 -8.864 -1.259 1.00 3.72 O ATOM 2149 NE2 GLN A 155 -13.952 -10.395 -0.509 1.00 1.48 N ATOM 0 H GLN A 155 -14.522 -9.986 -5.334 1.00 0.96 H new ATOM 0 HA GLN A 155 -16.379 -11.081 -3.521 1.00 0.91 H new ATOM 0 HB2 GLN A 155 -15.182 -8.268 -3.539 1.00 0.87 H new ATOM 0 HB3 GLN A 155 -15.791 -9.120 -2.134 1.00 0.87 H new ATOM 0 HG2 GLN A 155 -14.023 -10.997 -3.114 1.00 0.96 H new ATOM 0 HG3 GLN A 155 -13.229 -9.523 -3.632 1.00 0.96 H new ATOM 0 HE21 GLN A 155 -14.672 -11.092 -0.700 1.00 1.48 H new ATOM 0 HE22 GLN A 155 -13.627 -10.246 0.446 1.00 1.48 H new ATOM 2158 N ASN A 156 -18.557 -9.790 -3.591 1.00 0.51 N ATOM 2159 CA ASN A 156 -19.872 -9.121 -3.808 1.00 0.45 C ATOM 2160 C ASN A 156 -19.702 -7.606 -3.677 1.00 0.45 C ATOM 2161 O ASN A 156 -18.633 -7.119 -3.373 1.00 0.71 O ATOM 2162 CB ASN A 156 -20.887 -9.620 -2.773 1.00 0.29 C ATOM 2163 CG ASN A 156 -20.265 -9.614 -1.372 1.00 2.34 C ATOM 2164 OD1 ASN A 156 -19.098 -9.324 -1.208 1.00 3.95 O ATOM 2165 ND2 ASN A 156 -21.008 -9.925 -0.345 1.00 2.75 N ATOM 0 H ASN A 156 -18.559 -10.537 -2.896 1.00 0.51 H new ATOM 0 HA ASN A 156 -20.237 -9.359 -4.807 1.00 0.45 H new ATOM 0 HB2 ASN A 156 -21.773 -8.986 -2.788 1.00 0.29 H new ATOM 0 HB3 ASN A 156 -21.212 -10.628 -3.030 1.00 0.29 H new ATOM 0 HD21 ASN A 156 -20.608 -9.924 0.593 1.00 2.75 H new ATOM 0 HD22 ASN A 156 -21.989 -10.169 -0.481 1.00 2.75 H new ATOM 2172 N GLN A 157 -20.743 -6.858 -3.907 1.00 0.20 N ATOM 2173 CA GLN A 157 -20.632 -5.374 -3.797 1.00 0.24 C ATOM 2174 C GLN A 157 -20.325 -5.008 -2.352 1.00 0.16 C ATOM 2175 O GLN A 157 -19.671 -4.026 -2.070 1.00 0.18 O ATOM 2176 CB GLN A 157 -21.954 -4.714 -4.196 1.00 0.40 C ATOM 2177 CG GLN A 157 -22.551 -5.432 -5.404 1.00 2.49 C ATOM 2178 CD GLN A 157 -22.870 -4.415 -6.500 1.00 2.23 C ATOM 2179 OE1 GLN A 157 -21.997 -3.704 -6.958 1.00 2.11 O ATOM 2180 NE2 GLN A 157 -24.093 -4.313 -6.942 1.00 2.86 N ATOM 0 H GLN A 157 -21.666 -7.207 -4.166 1.00 0.20 H new ATOM 0 HA GLN A 157 -19.839 -5.026 -4.459 1.00 0.24 H new ATOM 0 HB2 GLN A 157 -22.653 -4.747 -3.361 1.00 0.40 H new ATOM 0 HB3 GLN A 157 -21.789 -3.663 -4.432 1.00 0.40 H new ATOM 0 HG2 GLN A 157 -21.850 -6.178 -5.779 1.00 2.49 H new ATOM 0 HG3 GLN A 157 -23.457 -5.964 -5.113 1.00 2.49 H new ATOM 0 HE21 GLN A 157 -24.826 -4.910 -6.558 1.00 2.86 H new ATOM 0 HE22 GLN A 157 -24.317 -3.637 -7.672 1.00 2.86 H new ATOM 2189 N TRP A 158 -20.806 -5.792 -1.434 1.00 0.18 N ATOM 2190 CA TRP A 158 -20.558 -5.498 0.000 1.00 0.32 C ATOM 2191 C TRP A 158 -19.055 -5.565 0.281 1.00 0.40 C ATOM 2192 O TRP A 158 -18.407 -4.567 0.540 1.00 0.53 O ATOM 2193 CB TRP A 158 -21.292 -6.534 0.854 1.00 0.32 C ATOM 2194 CG TRP A 158 -21.190 -6.161 2.300 1.00 0.58 C ATOM 2195 CD1 TRP A 158 -20.045 -6.143 3.021 1.00 0.72 C ATOM 2196 CD2 TRP A 158 -22.252 -5.757 3.210 1.00 0.87 C ATOM 2197 NE1 TRP A 158 -20.339 -5.754 4.315 1.00 0.94 N ATOM 2198 CE2 TRP A 158 -21.686 -5.506 4.482 1.00 1.04 C ATOM 2199 CE3 TRP A 158 -23.641 -5.589 3.058 1.00 1.10 C ATOM 2200 CZ2 TRP A 158 -22.468 -5.100 5.564 1.00 1.34 C ATOM 2201 CZ3 TRP A 158 -24.431 -5.180 4.145 1.00 1.45 C ATOM 2202 CH2 TRP A 158 -23.845 -4.938 5.396 1.00 1.54 C ATOM 0 H TRP A 158 -21.363 -6.627 -1.616 1.00 0.18 H new ATOM 0 HA TRP A 158 -20.922 -4.500 0.243 1.00 0.32 H new ATOM 0 HB2 TRP A 158 -22.339 -6.589 0.556 1.00 0.32 H new ATOM 0 HB3 TRP A 158 -20.862 -7.523 0.693 1.00 0.32 H new ATOM 0 HD1 TRP A 158 -19.063 -6.392 2.647 1.00 0.72 H new ATOM 0 HE1 TRP A 158 -19.644 -5.662 5.056 1.00 0.94 H new ATOM 0 HE3 TRP A 158 -24.102 -5.776 2.100 1.00 1.10 H new ATOM 0 HZ2 TRP A 158 -22.012 -4.912 6.525 1.00 1.34 H new ATOM 0 HZ3 TRP A 158 -25.496 -5.051 4.017 1.00 1.45 H new ATOM 0 HH2 TRP A 158 -24.458 -4.627 6.229 1.00 1.54 H new ATOM 2213 N LEU A 159 -18.496 -6.742 0.224 1.00 0.45 N ATOM 2214 CA LEU A 159 -17.036 -6.888 0.480 1.00 0.62 C ATOM 2215 C LEU A 159 -16.246 -6.093 -0.565 1.00 0.46 C ATOM 2216 O LEU A 159 -15.075 -5.826 -0.391 1.00 0.45 O ATOM 2217 CB LEU A 159 -16.648 -8.367 0.405 1.00 0.82 C ATOM 2218 CG LEU A 159 -17.335 -9.132 1.539 1.00 1.02 C ATOM 2219 CD1 LEU A 159 -17.053 -10.629 1.393 1.00 1.01 C ATOM 2220 CD2 LEU A 159 -16.792 -8.642 2.884 1.00 1.88 C ATOM 0 H LEU A 159 -18.988 -7.610 0.011 1.00 0.45 H new ATOM 0 HA LEU A 159 -16.804 -6.504 1.473 1.00 0.62 H new ATOM 0 HB2 LEU A 159 -16.942 -8.783 -0.559 1.00 0.82 H new ATOM 0 HB3 LEU A 159 -15.566 -8.475 0.482 1.00 0.82 H new ATOM 0 HG LEU A 159 -18.410 -8.960 1.493 1.00 1.02 H new ATOM 0 HD11 LEU A 159 -17.543 -11.172 2.201 1.00 1.01 H new ATOM 0 HD12 LEU A 159 -17.437 -10.980 0.435 1.00 1.01 H new ATOM 0 HD13 LEU A 159 -15.978 -10.803 1.439 1.00 1.01 H new ATOM 0 HD21 LEU A 159 -17.280 -9.185 3.693 1.00 1.88 H new ATOM 0 HD22 LEU A 159 -15.717 -8.815 2.927 1.00 1.88 H new ATOM 0 HD23 LEU A 159 -16.992 -7.576 2.991 1.00 1.88 H new ATOM 2232 N GLN A 160 -16.876 -5.703 -1.643 1.00 0.34 N ATOM 2233 CA GLN A 160 -16.157 -4.915 -2.682 1.00 0.20 C ATOM 2234 C GLN A 160 -15.870 -3.523 -2.123 1.00 0.18 C ATOM 2235 O GLN A 160 -14.775 -3.010 -2.230 1.00 0.10 O ATOM 2236 CB GLN A 160 -17.032 -4.801 -3.934 1.00 0.18 C ATOM 2237 CG GLN A 160 -16.335 -3.921 -4.972 1.00 0.99 C ATOM 2238 CD GLN A 160 -17.201 -3.827 -6.229 1.00 0.63 C ATOM 2239 OE1 GLN A 160 -17.466 -4.823 -6.873 1.00 0.91 O ATOM 2240 NE2 GLN A 160 -17.659 -2.665 -6.607 1.00 1.54 N ATOM 0 H GLN A 160 -17.856 -5.897 -1.846 1.00 0.34 H new ATOM 0 HA GLN A 160 -15.222 -5.408 -2.948 1.00 0.20 H new ATOM 0 HB2 GLN A 160 -17.220 -5.791 -4.350 1.00 0.18 H new ATOM 0 HB3 GLN A 160 -18.001 -4.375 -3.674 1.00 0.18 H new ATOM 0 HG2 GLN A 160 -16.161 -2.926 -4.562 1.00 0.99 H new ATOM 0 HG3 GLN A 160 -15.359 -4.338 -5.221 1.00 0.99 H new ATOM 0 HE21 GLN A 160 -17.437 -1.829 -6.067 1.00 1.54 H new ATOM 0 HE22 GLN A 160 -18.239 -2.593 -7.443 1.00 1.54 H new ATOM 2249 N ASP A 161 -16.848 -2.915 -1.510 1.00 0.32 N ATOM 2250 CA ASP A 161 -16.633 -1.567 -0.924 1.00 0.42 C ATOM 2251 C ASP A 161 -15.606 -1.691 0.197 1.00 0.47 C ATOM 2252 O ASP A 161 -14.793 -0.813 0.414 1.00 0.51 O ATOM 2253 CB ASP A 161 -17.952 -1.036 -0.361 1.00 0.51 C ATOM 2254 CG ASP A 161 -17.738 0.367 0.209 1.00 0.45 C ATOM 2255 OD1 ASP A 161 -17.571 1.285 -0.579 1.00 1.25 O ATOM 2256 OD2 ASP A 161 -17.746 0.502 1.421 1.00 0.84 O ATOM 0 H ASP A 161 -17.787 -3.296 -1.391 1.00 0.32 H new ATOM 0 HA ASP A 161 -16.273 -0.876 -1.687 1.00 0.42 H new ATOM 0 HB2 ASP A 161 -18.709 -1.010 -1.145 1.00 0.51 H new ATOM 0 HB3 ASP A 161 -18.322 -1.703 0.417 1.00 0.51 H new ATOM 2261 N MET A 162 -15.633 -2.786 0.908 1.00 0.49 N ATOM 2262 CA MET A 162 -14.653 -2.978 2.011 1.00 0.53 C ATOM 2263 C MET A 162 -13.253 -3.158 1.404 1.00 0.42 C ATOM 2264 O MET A 162 -12.258 -2.820 2.007 1.00 0.30 O ATOM 2265 CB MET A 162 -15.089 -4.201 2.864 1.00 0.64 C ATOM 2266 CG MET A 162 -14.127 -5.395 2.719 1.00 0.51 C ATOM 2267 SD MET A 162 -12.668 -5.117 3.755 1.00 0.80 S ATOM 2268 CE MET A 162 -11.415 -5.396 2.478 1.00 0.50 C ATOM 0 H MET A 162 -16.291 -3.554 0.772 1.00 0.49 H new ATOM 0 HA MET A 162 -14.621 -2.109 2.669 1.00 0.53 H new ATOM 0 HB2 MET A 162 -15.143 -3.908 3.912 1.00 0.64 H new ATOM 0 HB3 MET A 162 -16.092 -4.508 2.567 1.00 0.64 H new ATOM 0 HG2 MET A 162 -14.627 -6.317 3.015 1.00 0.51 H new ATOM 0 HG3 MET A 162 -13.830 -5.513 1.677 1.00 0.51 H new ATOM 0 HE1 MET A 162 -10.633 -6.046 2.871 1.00 0.50 H new ATOM 0 HE2 MET A 162 -11.878 -5.868 1.611 1.00 0.50 H new ATOM 0 HE3 MET A 162 -10.979 -4.442 2.182 1.00 0.50 H new ATOM 2278 N THR A 163 -13.175 -3.691 0.217 1.00 0.46 N ATOM 2279 CA THR A 163 -11.846 -3.899 -0.425 1.00 0.37 C ATOM 2280 C THR A 163 -11.060 -2.585 -0.437 1.00 0.31 C ATOM 2281 O THR A 163 -9.919 -2.533 -0.028 1.00 0.26 O ATOM 2282 CB THR A 163 -12.053 -4.398 -1.855 1.00 0.38 C ATOM 2283 OG1 THR A 163 -12.970 -5.485 -1.841 1.00 0.63 O ATOM 2284 CG2 THR A 163 -10.716 -4.864 -2.432 1.00 0.30 C ATOM 0 H THR A 163 -13.976 -3.992 -0.338 1.00 0.46 H new ATOM 0 HA THR A 163 -11.280 -4.639 0.140 1.00 0.37 H new ATOM 0 HB THR A 163 -12.449 -3.591 -2.472 1.00 0.38 H new ATOM 0 HG1 THR A 163 -13.440 -5.506 -0.981 1.00 0.63 H new ATOM 0 HG21 THR A 163 -10.864 -5.220 -3.452 1.00 0.30 H new ATOM 0 HG22 THR A 163 -10.012 -4.032 -2.437 1.00 0.30 H new ATOM 0 HG23 THR A 163 -10.318 -5.673 -1.820 1.00 0.30 H new ATOM 2292 N THR A 164 -11.661 -1.522 -0.897 1.00 0.34 N ATOM 2293 CA THR A 164 -10.943 -0.216 -0.926 1.00 0.32 C ATOM 2294 C THR A 164 -10.559 0.182 0.505 1.00 0.33 C ATOM 2295 O THR A 164 -9.547 0.815 0.735 1.00 0.34 O ATOM 2296 CB THR A 164 -11.858 0.853 -1.534 1.00 0.39 C ATOM 2297 OG1 THR A 164 -12.135 0.520 -2.887 1.00 1.14 O ATOM 2298 CG2 THR A 164 -11.171 2.219 -1.475 1.00 1.31 C ATOM 0 H THR A 164 -12.616 -1.501 -1.253 1.00 0.34 H new ATOM 0 HA THR A 164 -10.041 -0.304 -1.531 1.00 0.32 H new ATOM 0 HB THR A 164 -12.789 0.896 -0.968 1.00 0.39 H new ATOM 0 HG1 THR A 164 -12.721 1.201 -3.278 1.00 1.14 H new ATOM 0 HG21 THR A 164 -11.826 2.975 -1.909 1.00 1.31 H new ATOM 0 HG22 THR A 164 -10.959 2.475 -0.437 1.00 1.31 H new ATOM 0 HG23 THR A 164 -10.238 2.182 -2.037 1.00 1.31 H new ATOM 2306 N HIS A 165 -11.363 -0.183 1.468 1.00 0.31 N ATOM 2307 CA HIS A 165 -11.051 0.171 2.884 1.00 0.32 C ATOM 2308 C HIS A 165 -9.753 -0.533 3.313 1.00 0.27 C ATOM 2309 O HIS A 165 -8.733 0.096 3.517 1.00 0.38 O ATOM 2310 CB HIS A 165 -12.232 -0.267 3.777 1.00 0.37 C ATOM 2311 CG HIS A 165 -11.809 -0.377 5.223 1.00 0.24 C ATOM 2312 ND1 HIS A 165 -11.615 -1.603 5.843 1.00 0.32 N ATOM 2313 CD2 HIS A 165 -11.535 0.571 6.177 1.00 0.37 C ATOM 2314 CE1 HIS A 165 -11.242 -1.362 7.112 1.00 0.48 C ATOM 2315 NE2 HIS A 165 -11.177 -0.052 7.369 1.00 0.53 N ATOM 0 H HIS A 165 -12.225 -0.712 1.335 1.00 0.31 H new ATOM 0 HA HIS A 165 -10.908 1.247 2.984 1.00 0.32 H new ATOM 0 HB2 HIS A 165 -13.046 0.452 3.687 1.00 0.37 H new ATOM 0 HB3 HIS A 165 -12.615 -1.228 3.433 1.00 0.37 H new ATOM 0 HD2 HIS A 165 -11.589 1.639 6.026 1.00 0.37 H new ATOM 0 HE1 HIS A 165 -11.022 -2.133 7.836 1.00 0.48 H new ATOM 0 HE2 HIS A 165 -10.920 0.395 8.249 1.00 0.53 H new ATOM 2323 N LEU A 166 -9.795 -1.832 3.468 1.00 0.20 N ATOM 2324 CA LEU A 166 -8.583 -2.592 3.903 1.00 0.19 C ATOM 2325 C LEU A 166 -7.352 -2.144 3.111 1.00 0.16 C ATOM 2326 O LEU A 166 -6.274 -2.025 3.660 1.00 0.16 O ATOM 2327 CB LEU A 166 -8.823 -4.090 3.688 1.00 0.31 C ATOM 2328 CG LEU A 166 -7.849 -4.923 4.538 1.00 0.24 C ATOM 2329 CD1 LEU A 166 -6.411 -4.707 4.059 1.00 1.54 C ATOM 2330 CD2 LEU A 166 -7.960 -4.514 6.009 1.00 0.99 C ATOM 0 H LEU A 166 -10.625 -2.404 3.310 1.00 0.20 H new ATOM 0 HA LEU A 166 -8.401 -2.395 4.960 1.00 0.19 H new ATOM 0 HB2 LEU A 166 -9.850 -4.341 3.952 1.00 0.31 H new ATOM 0 HB3 LEU A 166 -8.696 -4.336 2.634 1.00 0.31 H new ATOM 0 HG LEU A 166 -8.108 -5.977 4.432 1.00 0.24 H new ATOM 0 HD11 LEU A 166 -5.731 -5.302 4.669 1.00 1.54 H new ATOM 0 HD12 LEU A 166 -6.325 -5.013 3.016 1.00 1.54 H new ATOM 0 HD13 LEU A 166 -6.152 -3.652 4.151 1.00 1.54 H new ATOM 0 HD21 LEU A 166 -7.267 -5.108 6.605 1.00 0.99 H new ATOM 0 HD22 LEU A 166 -7.714 -3.457 6.112 1.00 0.99 H new ATOM 0 HD23 LEU A 166 -8.978 -4.685 6.358 1.00 0.99 H new ATOM 2342 N ILE A 167 -7.486 -1.892 1.835 1.00 0.15 N ATOM 2343 CA ILE A 167 -6.293 -1.449 1.059 1.00 0.14 C ATOM 2344 C ILE A 167 -5.752 -0.171 1.698 1.00 0.13 C ATOM 2345 O ILE A 167 -4.581 -0.058 2.001 1.00 0.15 O ATOM 2346 CB ILE A 167 -6.667 -1.165 -0.400 1.00 0.13 C ATOM 2347 CG1 ILE A 167 -7.148 -2.455 -1.069 1.00 0.19 C ATOM 2348 CG2 ILE A 167 -5.433 -0.634 -1.147 1.00 0.13 C ATOM 2349 CD1 ILE A 167 -8.054 -2.109 -2.251 1.00 0.43 C ATOM 0 H ILE A 167 -8.354 -1.972 1.305 1.00 0.15 H new ATOM 0 HA ILE A 167 -5.541 -2.238 1.073 1.00 0.14 H new ATOM 0 HB ILE A 167 -7.464 -0.422 -0.431 1.00 0.13 H new ATOM 0 HG12 ILE A 167 -6.294 -3.040 -1.411 1.00 0.19 H new ATOM 0 HG13 ILE A 167 -7.689 -3.070 -0.350 1.00 0.19 H new ATOM 0 HG21 ILE A 167 -5.696 -0.431 -2.185 1.00 0.13 H new ATOM 0 HG22 ILE A 167 -5.089 0.285 -0.673 1.00 0.13 H new ATOM 0 HG23 ILE A 167 -4.638 -1.379 -1.113 1.00 0.13 H new ATOM 0 HD11 ILE A 167 -8.397 -3.027 -2.728 1.00 0.43 H new ATOM 0 HD12 ILE A 167 -8.914 -1.541 -1.896 1.00 0.43 H new ATOM 0 HD13 ILE A 167 -7.498 -1.511 -2.973 1.00 0.43 H new ATOM 2361 N LEU A 168 -6.605 0.791 1.909 1.00 0.10 N ATOM 2362 CA LEU A 168 -6.157 2.067 2.534 1.00 0.10 C ATOM 2363 C LEU A 168 -5.616 1.786 3.940 1.00 0.19 C ATOM 2364 O LEU A 168 -4.863 2.563 4.492 1.00 0.25 O ATOM 2365 CB LEU A 168 -7.341 3.034 2.626 1.00 0.08 C ATOM 2366 CG LEU A 168 -7.978 3.200 1.245 1.00 0.16 C ATOM 2367 CD1 LEU A 168 -9.466 3.517 1.403 1.00 0.47 C ATOM 2368 CD2 LEU A 168 -7.289 4.346 0.501 1.00 0.24 C ATOM 0 H LEU A 168 -7.597 0.749 1.675 1.00 0.10 H new ATOM 0 HA LEU A 168 -5.370 2.513 1.925 1.00 0.10 H new ATOM 0 HB2 LEU A 168 -8.078 2.656 3.334 1.00 0.08 H new ATOM 0 HB3 LEU A 168 -7.005 4.001 3.001 1.00 0.08 H new ATOM 0 HG LEU A 168 -7.862 2.276 0.678 1.00 0.16 H new ATOM 0 HD11 LEU A 168 -9.919 3.635 0.419 1.00 0.47 H new ATOM 0 HD12 LEU A 168 -9.957 2.701 1.933 1.00 0.47 H new ATOM 0 HD13 LEU A 168 -9.583 4.441 1.970 1.00 0.47 H new ATOM 0 HD21 LEU A 168 -7.742 4.465 -0.483 1.00 0.24 H new ATOM 0 HD22 LEU A 168 -7.405 5.270 1.068 1.00 0.24 H new ATOM 0 HD23 LEU A 168 -6.229 4.121 0.387 1.00 0.24 H new ATOM 2380 N ARG A 169 -5.998 0.681 4.526 1.00 0.19 N ATOM 2381 CA ARG A 169 -5.509 0.351 5.896 1.00 0.27 C ATOM 2382 C ARG A 169 -4.046 -0.099 5.830 1.00 0.31 C ATOM 2383 O ARG A 169 -3.261 0.187 6.714 1.00 0.36 O ATOM 2384 CB ARG A 169 -6.361 -0.776 6.487 1.00 0.30 C ATOM 2385 CG ARG A 169 -6.357 -0.670 8.014 1.00 0.43 C ATOM 2386 CD ARG A 169 -5.097 -1.337 8.571 1.00 1.76 C ATOM 2387 NE ARG A 169 -5.357 -1.815 9.958 1.00 1.54 N ATOM 2388 CZ ARG A 169 -6.117 -2.858 10.158 1.00 1.67 C ATOM 2389 NH1 ARG A 169 -5.807 -4.004 9.619 1.00 2.89 N ATOM 2390 NH2 ARG A 169 -7.189 -2.753 10.896 1.00 1.38 N ATOM 0 H ARG A 169 -6.628 -0.007 4.114 1.00 0.19 H new ATOM 0 HA ARG A 169 -5.587 1.237 6.527 1.00 0.27 H new ATOM 0 HB2 ARG A 169 -7.382 -0.711 6.110 1.00 0.30 H new ATOM 0 HB3 ARG A 169 -5.968 -1.744 6.178 1.00 0.30 H new ATOM 0 HG2 ARG A 169 -6.391 0.377 8.316 1.00 0.43 H new ATOM 0 HG3 ARG A 169 -7.246 -1.149 8.424 1.00 0.43 H new ATOM 0 HD2 ARG A 169 -4.805 -2.173 7.936 1.00 1.76 H new ATOM 0 HD3 ARG A 169 -4.267 -0.630 8.569 1.00 1.76 H new ATOM 0 HE ARG A 169 -4.941 -1.327 10.752 1.00 1.54 H new ATOM 0 HH11 ARG A 169 -4.971 -4.086 9.041 1.00 2.89 H new ATOM 0 HH12 ARG A 169 -6.401 -4.818 9.775 1.00 2.89 H new ATOM 0 HH21 ARG A 169 -7.433 -1.856 11.316 1.00 1.38 H new ATOM 0 HH22 ARG A 169 -7.783 -3.568 11.052 1.00 1.38 H new ATOM 2404 N SER A 170 -3.667 -0.789 4.787 1.00 0.31 N ATOM 2405 CA SER A 170 -2.258 -1.236 4.671 1.00 0.37 C ATOM 2406 C SER A 170 -1.412 -0.027 4.311 1.00 0.32 C ATOM 2407 O SER A 170 -0.410 0.250 4.922 1.00 0.33 O ATOM 2408 CB SER A 170 -2.141 -2.294 3.571 1.00 0.40 C ATOM 2409 OG SER A 170 -1.236 -3.309 3.988 1.00 0.74 O ATOM 0 H SER A 170 -4.275 -1.060 4.014 1.00 0.31 H new ATOM 0 HA SER A 170 -1.919 -1.671 5.611 1.00 0.37 H new ATOM 0 HB2 SER A 170 -3.119 -2.727 3.362 1.00 0.40 H new ATOM 0 HB3 SER A 170 -1.790 -1.836 2.646 1.00 0.40 H new ATOM 0 HG SER A 170 -1.493 -4.163 3.582 1.00 0.74 H new ATOM 2415 N PHE A 171 -1.820 0.715 3.328 1.00 0.26 N ATOM 2416 CA PHE A 171 -1.039 1.917 2.944 1.00 0.22 C ATOM 2417 C PHE A 171 -0.787 2.784 4.178 1.00 0.22 C ATOM 2418 O PHE A 171 0.324 3.157 4.463 1.00 0.26 O ATOM 2419 CB PHE A 171 -1.820 2.710 1.902 1.00 0.16 C ATOM 2420 CG PHE A 171 -1.509 2.143 0.545 1.00 0.18 C ATOM 2421 CD1 PHE A 171 -2.006 0.887 0.182 1.00 0.55 C ATOM 2422 CD2 PHE A 171 -0.710 2.864 -0.342 1.00 0.55 C ATOM 2423 CE1 PHE A 171 -1.700 0.352 -1.072 1.00 0.56 C ATOM 2424 CE2 PHE A 171 -0.405 2.334 -1.597 1.00 0.57 C ATOM 2425 CZ PHE A 171 -0.896 1.078 -1.965 1.00 0.26 C ATOM 0 H PHE A 171 -2.659 0.543 2.774 1.00 0.26 H new ATOM 0 HA PHE A 171 -0.080 1.613 2.524 1.00 0.22 H new ATOM 0 HB2 PHE A 171 -2.890 2.649 2.102 1.00 0.16 H new ATOM 0 HB3 PHE A 171 -1.547 3.764 1.944 1.00 0.16 H new ATOM 0 HD1 PHE A 171 -2.626 0.331 0.870 1.00 0.55 H new ATOM 0 HD2 PHE A 171 -0.327 3.833 -0.058 1.00 0.55 H new ATOM 0 HE1 PHE A 171 -2.081 -0.618 -1.354 1.00 0.56 H new ATOM 0 HE2 PHE A 171 0.211 2.895 -2.284 1.00 0.57 H new ATOM 0 HZ PHE A 171 -0.657 0.667 -2.935 1.00 0.26 H new ATOM 2435 N LYS A 172 -1.807 3.096 4.919 1.00 0.22 N ATOM 2436 CA LYS A 172 -1.606 3.934 6.133 1.00 0.22 C ATOM 2437 C LYS A 172 -0.528 3.315 7.034 1.00 0.25 C ATOM 2438 O LYS A 172 0.536 3.877 7.223 1.00 0.25 O ATOM 2439 CB LYS A 172 -2.921 4.027 6.909 1.00 0.22 C ATOM 2440 CG LYS A 172 -3.920 4.877 6.122 1.00 1.23 C ATOM 2441 CD LYS A 172 -3.566 6.357 6.276 1.00 0.48 C ATOM 2442 CE LYS A 172 -4.822 7.150 6.638 1.00 0.91 C ATOM 2443 NZ LYS A 172 -4.541 8.610 6.522 1.00 1.09 N ATOM 0 H LYS A 172 -2.769 2.810 4.740 1.00 0.22 H new ATOM 0 HA LYS A 172 -1.284 4.929 5.827 1.00 0.22 H new ATOM 0 HB2 LYS A 172 -3.328 3.030 7.076 1.00 0.22 H new ATOM 0 HB3 LYS A 172 -2.746 4.468 7.890 1.00 0.22 H new ATOM 0 HG2 LYS A 172 -3.902 4.596 5.069 1.00 1.23 H new ATOM 0 HG3 LYS A 172 -4.932 4.695 6.483 1.00 1.23 H new ATOM 0 HD2 LYS A 172 -2.809 6.482 7.051 1.00 0.48 H new ATOM 0 HD3 LYS A 172 -3.138 6.737 5.348 1.00 0.48 H new ATOM 0 HE2 LYS A 172 -5.643 6.873 5.976 1.00 0.91 H new ATOM 0 HE3 LYS A 172 -5.137 6.909 7.653 1.00 0.91 H new ATOM 0 HZ1 LYS A 172 -5.396 9.149 6.768 1.00 1.09 H new ATOM 0 HZ2 LYS A 172 -3.770 8.868 7.171 1.00 1.09 H new ATOM 0 HZ3 LYS A 172 -4.261 8.833 5.546 1.00 1.09 H new ATOM 2457 N GLU A 173 -0.798 2.172 7.607 1.00 0.24 N ATOM 2458 CA GLU A 173 0.206 1.542 8.516 1.00 0.24 C ATOM 2459 C GLU A 173 1.384 0.976 7.717 1.00 0.25 C ATOM 2460 O GLU A 173 2.502 1.413 7.871 1.00 0.30 O ATOM 2461 CB GLU A 173 -0.459 0.414 9.306 1.00 0.17 C ATOM 2462 CG GLU A 173 -0.706 0.872 10.745 1.00 0.32 C ATOM 2463 CD GLU A 173 0.452 0.413 11.634 1.00 1.30 C ATOM 2464 OE1 GLU A 173 1.590 0.632 11.252 1.00 2.57 O ATOM 2465 OE2 GLU A 173 0.181 -0.150 12.682 1.00 1.23 O ATOM 0 H GLU A 173 -1.665 1.649 7.486 1.00 0.24 H new ATOM 0 HA GLU A 173 0.582 2.304 9.198 1.00 0.24 H new ATOM 0 HB2 GLU A 173 -1.402 0.134 8.836 1.00 0.17 H new ATOM 0 HB3 GLU A 173 0.176 -0.472 9.299 1.00 0.17 H new ATOM 0 HG2 GLU A 173 -0.798 1.958 10.781 1.00 0.32 H new ATOM 0 HG3 GLU A 173 -1.646 0.460 11.113 1.00 0.32 H new ATOM 2472 N PHE A 174 1.138 -0.013 6.895 1.00 0.23 N ATOM 2473 CA PHE A 174 2.234 -0.654 6.091 1.00 0.24 C ATOM 2474 C PHE A 174 3.248 0.384 5.580 1.00 0.31 C ATOM 2475 O PHE A 174 4.429 0.293 5.864 1.00 0.36 O ATOM 2476 CB PHE A 174 1.621 -1.388 4.896 1.00 0.27 C ATOM 2477 CG PHE A 174 2.491 -2.560 4.523 1.00 0.33 C ATOM 2478 CD1 PHE A 174 3.769 -2.337 4.003 1.00 0.56 C ATOM 2479 CD2 PHE A 174 2.021 -3.865 4.699 1.00 1.03 C ATOM 2480 CE1 PHE A 174 4.583 -3.423 3.658 1.00 0.48 C ATOM 2481 CE2 PHE A 174 2.833 -4.952 4.354 1.00 1.16 C ATOM 2482 CZ PHE A 174 4.115 -4.731 3.834 1.00 0.57 C ATOM 0 H PHE A 174 0.212 -0.412 6.742 1.00 0.23 H new ATOM 0 HA PHE A 174 2.763 -1.352 6.740 1.00 0.24 H new ATOM 0 HB2 PHE A 174 0.617 -1.732 5.144 1.00 0.27 H new ATOM 0 HB3 PHE A 174 1.526 -0.709 4.049 1.00 0.27 H new ATOM 0 HD1 PHE A 174 4.129 -1.328 3.867 1.00 0.56 H new ATOM 0 HD2 PHE A 174 1.033 -4.034 5.101 1.00 1.03 H new ATOM 0 HE1 PHE A 174 5.571 -3.252 3.257 1.00 0.48 H new ATOM 0 HE2 PHE A 174 2.471 -5.961 4.489 1.00 1.16 H new ATOM 0 HZ PHE A 174 4.742 -5.569 3.569 1.00 0.57 H new ATOM 2492 N LEU A 175 2.817 1.364 4.827 1.00 0.30 N ATOM 2493 CA LEU A 175 3.793 2.374 4.319 1.00 0.37 C ATOM 2494 C LEU A 175 4.445 3.089 5.505 1.00 0.39 C ATOM 2495 O LEU A 175 5.629 3.350 5.504 1.00 0.43 O ATOM 2496 CB LEU A 175 3.091 3.411 3.438 1.00 0.38 C ATOM 2497 CG LEU A 175 2.719 2.808 2.080 1.00 0.41 C ATOM 2498 CD1 LEU A 175 1.576 3.611 1.469 1.00 0.43 C ATOM 2499 CD2 LEU A 175 3.913 2.885 1.129 1.00 0.38 C ATOM 0 H LEU A 175 1.847 1.508 4.546 1.00 0.30 H new ATOM 0 HA LEU A 175 4.548 1.859 3.725 1.00 0.37 H new ATOM 0 HB2 LEU A 175 2.193 3.772 3.939 1.00 0.38 H new ATOM 0 HB3 LEU A 175 3.743 4.272 3.292 1.00 0.38 H new ATOM 0 HG LEU A 175 2.425 1.769 2.226 1.00 0.41 H new ATOM 0 HD11 LEU A 175 1.308 3.185 0.502 1.00 0.43 H new ATOM 0 HD12 LEU A 175 0.712 3.577 2.133 1.00 0.43 H new ATOM 0 HD13 LEU A 175 1.890 4.646 1.335 1.00 0.43 H new ATOM 0 HD21 LEU A 175 3.639 2.454 0.166 1.00 0.38 H new ATOM 0 HD22 LEU A 175 4.202 3.927 0.991 1.00 0.38 H new ATOM 0 HD23 LEU A 175 4.750 2.329 1.551 1.00 0.38 H new ATOM 2511 N GLN A 176 3.682 3.417 6.517 1.00 0.36 N ATOM 2512 CA GLN A 176 4.270 4.123 7.692 1.00 0.40 C ATOM 2513 C GLN A 176 5.382 3.274 8.313 1.00 0.33 C ATOM 2514 O GLN A 176 6.280 3.786 8.952 1.00 0.34 O ATOM 2515 CB GLN A 176 3.176 4.370 8.733 1.00 0.40 C ATOM 2516 CG GLN A 176 2.523 5.728 8.472 1.00 0.75 C ATOM 2517 CD GLN A 176 1.385 5.950 9.469 1.00 1.29 C ATOM 2518 OE1 GLN A 176 0.300 6.345 9.090 1.00 2.50 O ATOM 2519 NE2 GLN A 176 1.588 5.715 10.735 1.00 0.79 N ATOM 0 H GLN A 176 2.682 3.227 6.579 1.00 0.36 H new ATOM 0 HA GLN A 176 4.690 5.074 7.365 1.00 0.40 H new ATOM 0 HB2 GLN A 176 2.428 3.579 8.685 1.00 0.40 H new ATOM 0 HB3 GLN A 176 3.601 4.346 9.736 1.00 0.40 H new ATOM 0 HG2 GLN A 176 3.263 6.523 8.566 1.00 0.75 H new ATOM 0 HG3 GLN A 176 2.140 5.769 7.452 1.00 0.75 H new ATOM 0 HE21 GLN A 176 2.499 5.383 11.053 1.00 0.79 H new ATOM 0 HE22 GLN A 176 0.836 5.863 11.408 1.00 0.79 H new ATOM 2528 N SER A 177 5.339 1.984 8.130 1.00 0.54 N ATOM 2529 CA SER A 177 6.402 1.119 8.709 1.00 0.51 C ATOM 2530 C SER A 177 7.607 1.128 7.772 1.00 0.57 C ATOM 2531 O SER A 177 8.736 0.972 8.191 1.00 0.68 O ATOM 2532 CB SER A 177 5.876 -0.309 8.860 1.00 0.48 C ATOM 2533 OG SER A 177 4.456 -0.282 8.936 1.00 1.32 O ATOM 0 H SER A 177 4.615 1.493 7.606 1.00 0.54 H new ATOM 0 HA SER A 177 6.694 1.495 9.690 1.00 0.51 H new ATOM 0 HB2 SER A 177 6.195 -0.917 8.014 1.00 0.48 H new ATOM 0 HB3 SER A 177 6.291 -0.769 9.757 1.00 0.48 H new ATOM 0 HG SER A 177 4.116 -1.196 9.031 1.00 1.32 H new ATOM 2539 N SER A 178 7.372 1.317 6.502 1.00 0.54 N ATOM 2540 CA SER A 178 8.500 1.344 5.530 1.00 0.62 C ATOM 2541 C SER A 178 9.299 2.637 5.712 1.00 0.67 C ATOM 2542 O SER A 178 10.504 2.661 5.554 1.00 0.69 O ATOM 2543 CB SER A 178 7.946 1.291 4.107 1.00 0.75 C ATOM 2544 OG SER A 178 6.644 0.723 4.129 1.00 1.71 O ATOM 0 H SER A 178 6.446 1.454 6.096 1.00 0.54 H new ATOM 0 HA SER A 178 9.149 0.485 5.703 1.00 0.62 H new ATOM 0 HB2 SER A 178 7.910 2.294 3.681 1.00 0.75 H new ATOM 0 HB3 SER A 178 8.603 0.698 3.471 1.00 0.75 H new ATOM 0 HG SER A 178 6.338 0.572 3.211 1.00 1.71 H new ATOM 2550 N LEU A 179 8.636 3.715 6.035 1.00 0.69 N ATOM 2551 CA LEU A 179 9.355 5.007 6.221 1.00 0.76 C ATOM 2552 C LEU A 179 9.975 5.053 7.619 1.00 0.49 C ATOM 2553 O LEU A 179 11.040 5.606 7.819 1.00 0.27 O ATOM 2554 CB LEU A 179 8.375 6.179 6.043 1.00 1.07 C ATOM 2555 CG LEU A 179 7.258 6.110 7.086 1.00 1.50 C ATOM 2556 CD1 LEU A 179 7.735 6.736 8.399 1.00 2.87 C ATOM 2557 CD2 LEU A 179 6.044 6.887 6.571 1.00 2.16 C ATOM 0 H LEU A 179 7.627 3.756 6.178 1.00 0.69 H new ATOM 0 HA LEU A 179 10.146 5.090 5.476 1.00 0.76 H new ATOM 0 HB2 LEU A 179 8.909 7.124 6.137 1.00 1.07 H new ATOM 0 HB3 LEU A 179 7.947 6.153 5.041 1.00 1.07 H new ATOM 0 HG LEU A 179 6.989 5.068 7.260 1.00 1.50 H new ATOM 0 HD11 LEU A 179 6.936 6.684 9.138 1.00 2.87 H new ATOM 0 HD12 LEU A 179 8.605 6.192 8.767 1.00 2.87 H new ATOM 0 HD13 LEU A 179 8.004 7.778 8.228 1.00 2.87 H new ATOM 0 HD21 LEU A 179 5.243 6.842 7.309 1.00 2.16 H new ATOM 0 HD22 LEU A 179 6.323 7.927 6.401 1.00 2.16 H new ATOM 0 HD23 LEU A 179 5.700 6.446 5.636 1.00 2.16 H new ATOM 2569 N ARG A 180 9.323 4.472 8.586 1.00 0.58 N ATOM 2570 CA ARG A 180 9.879 4.480 9.968 1.00 0.53 C ATOM 2571 C ARG A 180 11.139 3.616 10.009 1.00 0.27 C ATOM 2572 O ARG A 180 12.101 3.928 10.687 1.00 0.39 O ATOM 2573 CB ARG A 180 8.839 3.917 10.936 1.00 0.73 C ATOM 2574 CG ARG A 180 8.312 5.043 11.827 1.00 0.94 C ATOM 2575 CD ARG A 180 9.118 5.083 13.126 1.00 0.70 C ATOM 2576 NE ARG A 180 8.550 4.104 14.093 1.00 1.02 N ATOM 2577 CZ ARG A 180 8.625 4.334 15.375 1.00 1.39 C ATOM 2578 NH1 ARG A 180 9.628 5.013 15.860 1.00 2.37 N ATOM 2579 NH2 ARG A 180 7.696 3.883 16.174 1.00 1.73 N ATOM 0 H ARG A 180 8.429 3.992 8.480 1.00 0.58 H new ATOM 0 HA ARG A 180 10.128 5.501 10.259 1.00 0.53 H new ATOM 0 HB2 ARG A 180 8.018 3.463 10.381 1.00 0.73 H new ATOM 0 HB3 ARG A 180 9.283 3.132 11.548 1.00 0.73 H new ATOM 0 HG2 ARG A 180 8.390 5.999 11.308 1.00 0.94 H new ATOM 0 HG3 ARG A 180 7.256 4.884 12.046 1.00 0.94 H new ATOM 0 HD2 ARG A 180 10.163 4.848 12.925 1.00 0.70 H new ATOM 0 HD3 ARG A 180 9.093 6.086 13.551 1.00 0.70 H new ATOM 0 HE ARG A 180 8.102 3.253 13.753 1.00 1.02 H new ATOM 0 HH11 ARG A 180 10.355 5.365 15.237 1.00 2.37 H new ATOM 0 HH12 ARG A 180 9.685 5.192 16.863 1.00 2.37 H new ATOM 0 HH21 ARG A 180 6.912 3.351 15.796 1.00 1.73 H new ATOM 0 HH22 ARG A 180 7.754 4.063 17.176 1.00 1.73 H new ATOM 2593 N ALA A 181 11.150 2.537 9.278 1.00 0.31 N ATOM 2594 CA ALA A 181 12.349 1.664 9.264 1.00 0.40 C ATOM 2595 C ALA A 181 13.429 2.352 8.443 1.00 0.39 C ATOM 2596 O ALA A 181 14.598 2.281 8.750 1.00 0.51 O ATOM 2597 CB ALA A 181 11.997 0.318 8.627 1.00 0.61 C ATOM 0 H ALA A 181 10.378 2.224 8.690 1.00 0.31 H new ATOM 0 HA ALA A 181 12.702 1.491 10.281 1.00 0.40 H new ATOM 0 HB1 ALA A 181 12.879 -0.322 8.618 1.00 0.61 H new ATOM 0 HB2 ALA A 181 11.207 -0.162 9.204 1.00 0.61 H new ATOM 0 HB3 ALA A 181 11.654 0.478 7.605 1.00 0.61 H new ATOM 2603 N LEU A 182 13.039 3.027 7.401 1.00 0.37 N ATOM 2604 CA LEU A 182 14.039 3.729 6.558 1.00 0.35 C ATOM 2605 C LEU A 182 14.801 4.746 7.407 1.00 0.33 C ATOM 2606 O LEU A 182 15.969 5.001 7.190 1.00 0.31 O ATOM 2607 CB LEU A 182 13.324 4.454 5.417 1.00 0.37 C ATOM 2608 CG LEU A 182 13.945 4.039 4.083 1.00 0.40 C ATOM 2609 CD1 LEU A 182 13.598 2.578 3.792 1.00 1.18 C ATOM 2610 CD2 LEU A 182 13.389 4.925 2.967 1.00 0.48 C ATOM 0 H LEU A 182 12.070 3.122 7.097 1.00 0.37 H new ATOM 0 HA LEU A 182 14.740 3.002 6.147 1.00 0.35 H new ATOM 0 HB2 LEU A 182 12.261 4.212 5.427 1.00 0.37 H new ATOM 0 HB3 LEU A 182 13.406 5.533 5.549 1.00 0.37 H new ATOM 0 HG LEU A 182 15.028 4.153 4.134 1.00 0.40 H new ATOM 0 HD11 LEU A 182 14.040 2.281 2.841 1.00 1.18 H new ATOM 0 HD12 LEU A 182 13.991 1.945 4.588 1.00 1.18 H new ATOM 0 HD13 LEU A 182 12.515 2.465 3.739 1.00 1.18 H new ATOM 0 HD21 LEU A 182 13.831 4.631 2.015 1.00 0.48 H new ATOM 0 HD22 LEU A 182 12.306 4.810 2.916 1.00 0.48 H new ATOM 0 HD23 LEU A 182 13.633 5.967 3.174 1.00 0.48 H new ATOM 2622 N ARG A 183 14.147 5.335 8.371 1.00 0.32 N ATOM 2623 CA ARG A 183 14.830 6.344 9.229 1.00 0.28 C ATOM 2624 C ARG A 183 15.490 5.659 10.431 1.00 0.42 C ATOM 2625 O ARG A 183 16.347 6.222 11.081 1.00 0.62 O ATOM 2626 CB ARG A 183 13.801 7.361 9.727 1.00 0.08 C ATOM 2627 CG ARG A 183 14.294 8.777 9.424 1.00 0.45 C ATOM 2628 CD ARG A 183 15.186 9.260 10.570 1.00 1.49 C ATOM 2629 NE ARG A 183 14.852 10.673 10.895 1.00 1.31 N ATOM 2630 CZ ARG A 183 15.660 11.632 10.536 1.00 2.16 C ATOM 2631 NH1 ARG A 183 16.905 11.616 10.926 1.00 3.33 N ATOM 2632 NH2 ARG A 183 15.223 12.606 9.784 1.00 2.43 N ATOM 0 H ARG A 183 13.169 5.161 8.601 1.00 0.32 H new ATOM 0 HA ARG A 183 15.599 6.848 8.643 1.00 0.28 H new ATOM 0 HB2 ARG A 183 12.840 7.188 9.243 1.00 0.08 H new ATOM 0 HB3 ARG A 183 13.645 7.241 10.799 1.00 0.08 H new ATOM 0 HG2 ARG A 183 14.850 8.788 8.486 1.00 0.45 H new ATOM 0 HG3 ARG A 183 13.446 9.450 9.300 1.00 0.45 H new ATOM 0 HD2 ARG A 183 15.042 8.630 11.448 1.00 1.49 H new ATOM 0 HD3 ARG A 183 16.236 9.179 10.288 1.00 1.49 H new ATOM 0 HE ARG A 183 13.992 10.892 11.398 1.00 1.31 H new ATOM 0 HH11 ARG A 183 17.246 10.854 11.511 1.00 3.33 H new ATOM 0 HH12 ARG A 183 17.537 12.366 10.645 1.00 3.33 H new ATOM 0 HH21 ARG A 183 14.250 12.617 9.478 1.00 2.43 H new ATOM 0 HH22 ARG A 183 15.854 13.356 9.503 1.00 2.43 H new ATOM 2646 N GLN A 184 15.096 4.451 10.739 1.00 0.39 N ATOM 2647 CA GLN A 184 15.702 3.747 11.905 1.00 0.57 C ATOM 2648 C GLN A 184 16.931 2.948 11.461 1.00 0.77 C ATOM 2649 O GLN A 184 17.728 2.522 12.272 1.00 1.03 O ATOM 2650 CB GLN A 184 14.669 2.797 12.514 1.00 0.67 C ATOM 2651 CG GLN A 184 13.468 3.604 13.009 1.00 1.32 C ATOM 2652 CD GLN A 184 13.698 4.029 14.461 1.00 1.55 C ATOM 2653 OE1 GLN A 184 14.359 3.340 15.211 1.00 1.12 O ATOM 2654 NE2 GLN A 184 13.174 5.145 14.890 1.00 2.68 N ATOM 0 H GLN A 184 14.383 3.924 10.235 1.00 0.39 H new ATOM 0 HA GLN A 184 16.009 4.485 12.646 1.00 0.57 H new ATOM 0 HB2 GLN A 184 14.349 2.066 11.772 1.00 0.67 H new ATOM 0 HB3 GLN A 184 15.112 2.240 13.340 1.00 0.67 H new ATOM 0 HG2 GLN A 184 13.324 4.483 12.381 1.00 1.32 H new ATOM 0 HG3 GLN A 184 12.560 3.006 12.934 1.00 1.32 H new ATOM 0 HE21 GLN A 184 12.619 5.723 14.259 1.00 2.68 H new ATOM 0 HE22 GLN A 184 13.320 5.439 15.856 1.00 2.68 H new ATOM 2663 N MET A 185 17.099 2.739 10.183 1.00 0.71 N ATOM 2664 CA MET A 185 18.281 1.968 9.712 1.00 0.96 C ATOM 2665 C MET A 185 18.900 2.668 8.501 1.00 0.74 C ATOM 2666 O MET A 185 18.168 3.329 7.785 1.00 1.71 O ATOM 2667 CB MET A 185 17.850 0.553 9.323 1.00 2.18 C ATOM 2668 CG MET A 185 16.851 0.618 8.166 1.00 0.95 C ATOM 2669 SD MET A 185 15.424 -0.432 8.543 1.00 2.94 S ATOM 2670 CE MET A 185 14.871 -0.681 6.840 1.00 0.94 C ATOM 2671 OXT MET A 185 20.098 2.531 8.312 1.00 0.94 O ATOM 0 H MET A 185 16.471 3.068 9.449 1.00 0.71 H new ATOM 0 HA MET A 185 19.018 1.912 10.513 1.00 0.96 H new ATOM 0 HB2 MET A 185 18.720 -0.036 9.032 1.00 2.18 H new ATOM 0 HB3 MET A 185 17.398 0.052 10.179 1.00 2.18 H new ATOM 0 HG2 MET A 185 16.528 1.647 8.008 1.00 0.95 H new ATOM 0 HG3 MET A 185 17.326 0.287 7.242 1.00 0.95 H new ATOM 0 HE1 MET A 185 14.099 -1.450 6.817 1.00 0.94 H new ATOM 0 HE2 MET A 185 14.466 0.252 6.449 1.00 0.94 H new ATOM 0 HE3 MET A 185 15.715 -0.996 6.226 1.00 0.94 H new