USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 405 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 111 CYS SG : rot -168:sc= 2.57 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -7.08! C(o=-8.8!,f=-11!) USER MOD Set 1.3: A 122 MET CE :methyl 155:sc= -8.89! (180deg=-9.01!) USER MOD Set 1.4: A 134 CYS SG : rot -167:sc= 1.87 USER MOD Set 1.5: A 137 CYS SG : rot -115:sc= 0.159 USER MOD Set 1.6: A 139 SER OG : rot -83:sc= 1.32 USER MOD Set 1.7: A 141 TYR OH : rot 65:sc= 1.25 USER MOD Set 2.1: A 125 LYS NZ :NH3+ -172:sc= 0.984 (180deg=-0.144) USER MOD Set 2.2: A 127 THR OG1 : rot 176:sc= 2.01 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 30:sc= -0.355 USER MOD Single : A 103 TYR OH : rot 13:sc= 0.099 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -60:sc= 1.1 USER MOD Single : A 118 SER OG : rot 23:sc= 0.861 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 177:sc= 1.84 (180deg=1.82) USER MOD Single : A 144 ASN : amide:sc= -1.21 K(o=-1.2,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.871 -8.036 -0.583 1.00 0.62 N ATOM 2 CA MET A 94 -6.399 -8.211 0.768 1.00 0.58 C ATOM 3 C MET A 94 -6.035 -9.565 1.375 1.00 1.07 C ATOM 4 O MET A 94 -6.217 -10.618 0.763 1.00 2.83 O ATOM 5 CB MET A 94 -7.916 -8.081 0.836 1.00 0.59 C ATOM 6 CG MET A 94 -8.481 -7.207 -0.266 1.00 0.61 C ATOM 7 SD MET A 94 -10.081 -6.419 0.032 1.00 0.94 S ATOM 8 CE MET A 94 -11.112 -7.886 0.265 1.00 2.46 C ATOM 0 HA MET A 94 -5.932 -7.407 1.338 1.00 0.58 H new ATOM 0 HB2 MET A 94 -8.364 -9.073 0.773 1.00 0.59 H new ATOM 0 HB3 MET A 94 -8.197 -7.665 1.803 1.00 0.59 H new ATOM 0 HG2 MET A 94 -7.754 -6.423 -0.480 1.00 0.61 H new ATOM 0 HG3 MET A 94 -8.568 -7.815 -1.166 1.00 0.61 H new ATOM 0 HE1 MET A 94 -12.140 -7.581 0.461 1.00 2.46 H new ATOM 0 HE2 MET A 94 -11.081 -8.499 -0.635 1.00 2.46 H new ATOM 0 HE3 MET A 94 -10.738 -8.463 1.110 1.00 2.46 H new ATOM 18 N LYS A 95 -5.531 -9.432 2.590 1.00 0.87 N ATOM 19 CA LYS A 95 -4.572 -10.215 3.367 1.00 0.89 C ATOM 20 C LYS A 95 -3.422 -9.296 3.783 1.00 0.97 C ATOM 21 O LYS A 95 -3.654 -8.124 4.059 1.00 1.82 O ATOM 22 CB LYS A 95 -4.139 -11.531 2.707 1.00 0.93 C ATOM 23 CG LYS A 95 -3.328 -11.442 1.392 1.00 0.90 C ATOM 24 CD LYS A 95 -2.512 -12.711 1.178 1.00 0.84 C ATOM 25 CE LYS A 95 -1.849 -12.790 -0.203 1.00 1.20 C ATOM 26 NZ LYS A 95 -2.829 -13.099 -1.278 1.00 3.33 N ATOM 0 H LYS A 95 -5.837 -8.636 3.150 1.00 0.87 H new ATOM 0 HA LYS A 95 -5.066 -10.579 4.268 1.00 0.89 H new ATOM 0 HB2 LYS A 95 -3.545 -12.090 3.430 1.00 0.93 H new ATOM 0 HB3 LYS A 95 -5.036 -12.118 2.509 1.00 0.93 H new ATOM 0 HG2 LYS A 95 -4.005 -11.292 0.551 1.00 0.90 H new ATOM 0 HG3 LYS A 95 -2.664 -10.578 1.425 1.00 0.90 H new ATOM 0 HD2 LYS A 95 -1.741 -12.771 1.946 1.00 0.84 H new ATOM 0 HD3 LYS A 95 -3.161 -13.577 1.310 1.00 0.84 H new ATOM 0 HE2 LYS A 95 -1.357 -11.843 -0.423 1.00 1.20 H new ATOM 0 HE3 LYS A 95 -1.074 -13.556 -0.189 1.00 1.20 H new ATOM 0 HZ1 LYS A 95 -2.338 -13.143 -2.194 1.00 3.33 H new ATOM 0 HZ2 LYS A 95 -3.281 -14.015 -1.083 1.00 3.33 H new ATOM 0 HZ3 LYS A 95 -3.555 -12.355 -1.310 1.00 3.33 H new ATOM 40 N ASP A 96 -2.205 -9.821 3.807 1.00 0.86 N ATOM 41 CA ASP A 96 -1.020 -9.143 4.304 1.00 0.87 C ATOM 42 C ASP A 96 0.100 -9.218 3.219 1.00 0.96 C ATOM 43 O ASP A 96 0.992 -10.061 3.287 1.00 1.41 O ATOM 44 CB ASP A 96 -0.803 -9.827 5.656 1.00 1.18 C ATOM 45 CG ASP A 96 0.132 -9.093 6.623 1.00 1.90 C ATOM 46 OD1 ASP A 96 0.045 -7.843 6.652 1.00 3.10 O ATOM 47 OD2 ASP A 96 0.820 -9.775 7.412 1.00 2.34 O ATOM 0 H ASP A 96 -2.011 -10.764 3.469 1.00 0.86 H new ATOM 0 HA ASP A 96 -1.069 -8.068 4.476 1.00 0.87 H new ATOM 0 HB2 ASP A 96 -1.772 -9.953 6.140 1.00 1.18 H new ATOM 0 HB3 ASP A 96 -0.403 -10.825 5.479 1.00 1.18 H new ATOM 52 N PRO A 97 -0.067 -8.441 2.118 1.00 0.63 N ATOM 53 CA PRO A 97 0.704 -8.445 0.855 1.00 0.65 C ATOM 54 C PRO A 97 2.042 -7.709 0.921 1.00 0.58 C ATOM 55 O PRO A 97 3.074 -8.212 0.489 1.00 0.80 O ATOM 56 CB PRO A 97 -0.179 -7.685 -0.164 1.00 0.64 C ATOM 57 CG PRO A 97 -1.085 -6.831 0.720 1.00 0.52 C ATOM 58 CD PRO A 97 -1.308 -7.735 1.894 1.00 0.50 C ATOM 0 HA PRO A 97 0.933 -9.480 0.602 1.00 0.65 H new ATOM 0 HB2 PRO A 97 0.421 -7.071 -0.836 1.00 0.64 H new ATOM 0 HB3 PRO A 97 -0.755 -8.370 -0.786 1.00 0.64 H new ATOM 0 HG2 PRO A 97 -0.609 -5.894 1.010 1.00 0.52 H new ATOM 0 HG3 PRO A 97 -2.018 -6.572 0.220 1.00 0.52 H new ATOM 0 HD2 PRO A 97 -1.591 -7.161 2.776 1.00 0.50 H new ATOM 0 HD3 PRO A 97 -2.120 -8.434 1.695 1.00 0.50 H new ATOM 66 N ILE A 98 1.972 -6.460 1.370 1.00 0.50 N ATOM 67 CA ILE A 98 3.038 -5.490 1.523 1.00 0.52 C ATOM 68 C ILE A 98 2.846 -4.904 2.914 1.00 0.57 C ATOM 69 O ILE A 98 1.722 -4.617 3.320 1.00 0.58 O ATOM 70 CB ILE A 98 2.938 -4.346 0.502 1.00 0.50 C ATOM 71 CG1 ILE A 98 2.494 -4.730 -0.942 1.00 0.48 C ATOM 72 CG2 ILE A 98 4.246 -3.534 0.612 1.00 0.57 C ATOM 73 CD1 ILE A 98 3.549 -4.650 -2.030 1.00 0.55 C ATOM 0 H ILE A 98 1.077 -6.069 1.663 1.00 0.50 H new ATOM 0 HA ILE A 98 4.005 -5.970 1.373 1.00 0.52 H new ATOM 0 HB ILE A 98 2.087 -3.716 0.761 1.00 0.50 H new ATOM 0 HG12 ILE A 98 2.108 -5.749 -0.918 1.00 0.48 H new ATOM 0 HG13 ILE A 98 1.665 -4.082 -1.225 1.00 0.48 H new ATOM 0 HG21 ILE A 98 4.221 -2.707 -0.097 1.00 0.57 H new ATOM 0 HG22 ILE A 98 4.347 -3.141 1.624 1.00 0.57 H new ATOM 0 HG23 ILE A 98 5.095 -4.180 0.387 1.00 0.57 H new ATOM 0 HD11 ILE A 98 3.111 -4.942 -2.984 1.00 0.55 H new ATOM 0 HD12 ILE A 98 3.923 -3.628 -2.100 1.00 0.55 H new ATOM 0 HD13 ILE A 98 4.373 -5.322 -1.788 1.00 0.55 H new ATOM 85 N ILE A 99 3.946 -4.684 3.610 1.00 0.62 N ATOM 86 CA ILE A 99 3.949 -4.293 5.017 1.00 0.62 C ATOM 87 C ILE A 99 4.417 -2.862 5.200 1.00 0.60 C ATOM 88 O ILE A 99 5.455 -2.462 4.682 1.00 0.68 O ATOM 89 CB ILE A 99 4.822 -5.260 5.840 1.00 0.72 C ATOM 90 CG1 ILE A 99 4.219 -6.678 5.847 1.00 0.79 C ATOM 91 CG2 ILE A 99 5.052 -4.759 7.279 1.00 0.74 C ATOM 92 CD1 ILE A 99 3.062 -6.875 6.835 1.00 0.81 C ATOM 0 H ILE A 99 4.881 -4.772 3.211 1.00 0.62 H new ATOM 0 HA ILE A 99 2.923 -4.350 5.380 1.00 0.62 H new ATOM 0 HB ILE A 99 5.796 -5.299 5.353 1.00 0.72 H new ATOM 0 HG12 ILE A 99 3.866 -6.914 4.843 1.00 0.79 H new ATOM 0 HG13 ILE A 99 5.007 -7.393 6.084 1.00 0.79 H new ATOM 0 HG21 ILE A 99 5.673 -5.474 7.819 1.00 0.74 H new ATOM 0 HG22 ILE A 99 5.554 -3.792 7.252 1.00 0.74 H new ATOM 0 HG23 ILE A 99 4.093 -4.656 7.786 1.00 0.74 H new ATOM 0 HD11 ILE A 99 2.700 -7.901 6.772 1.00 0.81 H new ATOM 0 HD12 ILE A 99 3.411 -6.675 7.848 1.00 0.81 H new ATOM 0 HD13 ILE A 99 2.252 -6.189 6.588 1.00 0.81 H new ATOM 104 N ILE A 100 3.675 -2.121 6.017 1.00 0.53 N ATOM 105 CA ILE A 100 3.971 -0.762 6.461 1.00 0.51 C ATOM 106 C ILE A 100 4.019 -0.756 7.984 1.00 0.51 C ATOM 107 O ILE A 100 3.005 -1.021 8.627 1.00 0.51 O ATOM 108 CB ILE A 100 2.884 0.185 5.910 1.00 0.48 C ATOM 109 CG1 ILE A 100 2.843 0.111 4.360 1.00 0.52 C ATOM 110 CG2 ILE A 100 3.095 1.631 6.401 1.00 0.53 C ATOM 111 CD1 ILE A 100 4.154 0.520 3.673 1.00 0.61 C ATOM 0 H ILE A 100 2.801 -2.472 6.409 1.00 0.53 H new ATOM 0 HA ILE A 100 4.935 -0.417 6.088 1.00 0.51 H new ATOM 0 HB ILE A 100 1.918 -0.143 6.293 1.00 0.48 H new ATOM 0 HG12 ILE A 100 2.593 -0.908 4.063 1.00 0.52 H new ATOM 0 HG13 ILE A 100 2.041 0.754 3.998 1.00 0.52 H new ATOM 0 HG21 ILE A 100 2.312 2.271 5.994 1.00 0.53 H new ATOM 0 HG22 ILE A 100 3.054 1.655 7.490 1.00 0.53 H new ATOM 0 HG23 ILE A 100 4.068 1.991 6.066 1.00 0.53 H new ATOM 0 HD11 ILE A 100 4.039 0.440 2.592 1.00 0.61 H new ATOM 0 HD12 ILE A 100 4.397 1.549 3.936 1.00 0.61 H new ATOM 0 HD13 ILE A 100 4.958 -0.138 4.002 1.00 0.61 H new ATOM 123 N GLU A 101 5.206 -0.463 8.522 1.00 0.64 N ATOM 124 CA GLU A 101 5.512 -0.403 9.964 1.00 0.70 C ATOM 125 C GLU A 101 4.731 0.740 10.632 1.00 0.66 C ATOM 126 O GLU A 101 4.818 1.891 10.199 1.00 0.89 O ATOM 127 CB GLU A 101 7.037 -0.258 10.197 1.00 0.99 C ATOM 128 CG GLU A 101 7.594 -1.380 11.083 1.00 1.17 C ATOM 129 CD GLU A 101 9.088 -1.207 11.394 1.00 2.13 C ATOM 130 OE1 GLU A 101 9.864 -1.129 10.415 1.00 2.86 O ATOM 131 OE2 GLU A 101 9.413 -1.154 12.603 1.00 3.08 O ATOM 0 H GLU A 101 6.019 -0.251 7.944 1.00 0.64 H new ATOM 0 HA GLU A 101 5.196 -1.339 10.425 1.00 0.70 H new ATOM 0 HB2 GLU A 101 7.552 -0.265 9.237 1.00 0.99 H new ATOM 0 HB3 GLU A 101 7.242 0.706 10.662 1.00 0.99 H new ATOM 0 HG2 GLU A 101 7.034 -1.410 12.018 1.00 1.17 H new ATOM 0 HG3 GLU A 101 7.439 -2.339 10.588 1.00 1.17 H new ATOM 138 N SER A 102 3.949 0.438 11.668 1.00 0.69 N ATOM 139 CA SER A 102 3.066 1.398 12.342 1.00 0.91 C ATOM 140 C SER A 102 2.949 1.096 13.830 1.00 1.37 C ATOM 141 O SER A 102 2.530 0.002 14.182 1.00 3.00 O ATOM 142 CB SER A 102 1.670 1.259 11.754 1.00 0.97 C ATOM 143 OG SER A 102 0.740 2.059 12.459 1.00 1.85 O ATOM 0 H SER A 102 3.908 -0.498 12.072 1.00 0.69 H new ATOM 0 HA SER A 102 3.482 2.396 12.203 1.00 0.91 H new ATOM 0 HB2 SER A 102 1.683 1.551 10.704 1.00 0.97 H new ATOM 0 HB3 SER A 102 1.358 0.215 11.791 1.00 0.97 H new ATOM 0 HG SER A 102 1.195 2.849 12.819 1.00 1.85 H new ATOM 149 N TYR A 103 3.295 2.049 14.700 1.00 0.85 N ATOM 150 CA TYR A 103 3.317 1.827 16.155 1.00 0.84 C ATOM 151 C TYR A 103 2.037 2.353 16.856 1.00 1.06 C ATOM 152 O TYR A 103 1.942 2.300 18.083 1.00 1.62 O ATOM 153 CB TYR A 103 4.648 2.362 16.723 1.00 0.93 C ATOM 154 CG TYR A 103 5.909 1.517 16.471 1.00 1.02 C ATOM 155 CD1 TYR A 103 6.124 0.799 15.273 1.00 1.92 C ATOM 156 CD2 TYR A 103 6.909 1.461 17.462 1.00 2.45 C ATOM 157 CE1 TYR A 103 7.318 0.096 15.046 1.00 1.99 C ATOM 158 CE2 TYR A 103 8.110 0.753 17.251 1.00 2.65 C ATOM 159 CZ TYR A 103 8.332 0.090 16.020 1.00 1.50 C ATOM 160 OH TYR A 103 9.504 -0.549 15.752 1.00 1.83 O ATOM 0 H TYR A 103 3.567 2.992 14.421 1.00 0.85 H new ATOM 0 HA TYR A 103 3.288 0.759 16.370 1.00 0.84 H new ATOM 0 HB2 TYR A 103 4.818 3.355 16.307 1.00 0.93 H new ATOM 0 HB3 TYR A 103 4.532 2.483 17.800 1.00 0.93 H new ATOM 0 HD1 TYR A 103 5.354 0.791 14.516 1.00 1.92 H new ATOM 0 HD2 TYR A 103 6.753 1.970 18.401 1.00 2.45 H new ATOM 0 HE1 TYR A 103 7.458 -0.442 14.120 1.00 1.99 H new ATOM 0 HE2 TYR A 103 8.860 0.717 18.028 1.00 2.65 H new ATOM 0 HH TYR A 103 9.551 -0.759 14.796 1.00 1.83 H new ATOM 170 N ASP A 104 1.080 2.862 16.072 1.00 0.94 N ATOM 171 CA ASP A 104 -0.301 3.211 16.420 1.00 1.17 C ATOM 172 C ASP A 104 -1.300 2.149 15.884 1.00 1.44 C ATOM 173 O ASP A 104 -1.434 1.090 16.487 1.00 3.18 O ATOM 174 CB ASP A 104 -0.597 4.648 15.925 1.00 1.39 C ATOM 175 CG ASP A 104 -0.245 4.875 14.443 1.00 2.08 C ATOM 176 OD1 ASP A 104 0.967 4.948 14.123 1.00 2.59 O ATOM 177 OD2 ASP A 104 -1.206 4.918 13.635 1.00 3.72 O ATOM 0 H ASP A 104 1.270 3.058 15.089 1.00 0.94 H new ATOM 0 HA ASP A 104 -0.430 3.203 17.502 1.00 1.17 H new ATOM 0 HB2 ASP A 104 -1.655 4.864 16.076 1.00 1.39 H new ATOM 0 HB3 ASP A 104 -0.037 5.356 16.535 1.00 1.39 H new ATOM 182 N ASP A 105 -1.991 2.422 14.770 1.00 0.72 N ATOM 183 CA ASP A 105 -3.047 1.613 14.133 1.00 0.65 C ATOM 184 C ASP A 105 -3.415 2.214 12.756 1.00 0.67 C ATOM 185 O ASP A 105 -3.597 1.479 11.799 1.00 1.13 O ATOM 186 CB ASP A 105 -4.260 1.465 15.100 1.00 0.72 C ATOM 187 CG ASP A 105 -5.604 0.970 14.528 1.00 2.54 C ATOM 188 OD1 ASP A 105 -5.643 0.480 13.377 1.00 3.91 O ATOM 189 OD2 ASP A 105 -6.622 1.028 15.260 1.00 3.50 O ATOM 0 H ASP A 105 -1.815 3.280 14.247 1.00 0.72 H new ATOM 0 HA ASP A 105 -2.687 0.603 13.938 1.00 0.65 H new ATOM 0 HB2 ASP A 105 -3.967 0.781 15.896 1.00 0.72 H new ATOM 0 HB3 ASP A 105 -4.435 2.436 15.563 1.00 0.72 H new ATOM 194 N TYR A 106 -3.461 3.538 12.600 1.00 0.65 N ATOM 195 CA TYR A 106 -4.080 4.252 11.466 1.00 0.76 C ATOM 196 C TYR A 106 -3.087 4.730 10.389 1.00 0.90 C ATOM 197 O TYR A 106 -3.490 5.339 9.389 1.00 1.84 O ATOM 198 CB TYR A 106 -4.845 5.468 12.033 1.00 1.06 C ATOM 199 CG TYR A 106 -5.459 5.218 13.399 1.00 0.90 C ATOM 200 CD1 TYR A 106 -6.608 4.414 13.506 1.00 2.47 C ATOM 201 CD2 TYR A 106 -4.770 5.629 14.558 1.00 1.56 C ATOM 202 CE1 TYR A 106 -7.047 3.986 14.770 1.00 3.34 C ATOM 203 CE2 TYR A 106 -5.201 5.202 15.827 1.00 1.81 C ATOM 204 CZ TYR A 106 -6.329 4.356 15.932 1.00 2.60 C ATOM 205 OH TYR A 106 -6.672 3.811 17.130 1.00 3.60 O ATOM 0 H TYR A 106 -3.053 4.174 13.285 1.00 0.65 H new ATOM 0 HA TYR A 106 -4.737 3.543 10.962 1.00 0.76 H new ATOM 0 HB2 TYR A 106 -4.164 6.316 12.100 1.00 1.06 H new ATOM 0 HB3 TYR A 106 -5.634 5.748 11.335 1.00 1.06 H new ATOM 0 HD1 TYR A 106 -7.152 4.126 12.618 1.00 2.47 H new ATOM 0 HD2 TYR A 106 -3.908 6.274 14.471 1.00 1.56 H new ATOM 0 HE1 TYR A 106 -7.933 3.374 14.855 1.00 3.34 H new ATOM 0 HE2 TYR A 106 -4.674 5.518 16.715 1.00 1.81 H new ATOM 0 HH TYR A 106 -6.085 4.165 17.830 1.00 3.60 H new ATOM 215 N ARG A 107 -1.789 4.546 10.641 1.00 0.58 N ATOM 216 CA ARG A 107 -0.669 5.190 9.948 1.00 0.74 C ATOM 217 C ARG A 107 -0.718 5.062 8.418 1.00 0.90 C ATOM 218 O ARG A 107 -0.656 3.976 7.844 1.00 1.70 O ATOM 219 CB ARG A 107 0.626 4.616 10.539 1.00 0.97 C ATOM 220 CG ARG A 107 1.912 5.199 9.943 1.00 1.57 C ATOM 221 CD ARG A 107 2.569 4.206 8.978 1.00 2.98 C ATOM 222 NE ARG A 107 3.426 4.917 8.017 1.00 4.35 N ATOM 223 CZ ARG A 107 4.726 4.782 7.812 1.00 5.43 C ATOM 224 NH1 ARG A 107 5.466 3.908 8.457 1.00 5.71 N ATOM 225 NH2 ARG A 107 5.308 5.559 6.925 1.00 6.89 N ATOM 0 H ARG A 107 -1.473 3.910 11.373 1.00 0.58 H new ATOM 0 HA ARG A 107 -0.726 6.266 10.114 1.00 0.74 H new ATOM 0 HB2 ARG A 107 0.628 4.791 11.615 1.00 0.97 H new ATOM 0 HB3 ARG A 107 0.630 3.536 10.392 1.00 0.97 H new ATOM 0 HG2 ARG A 107 1.686 6.127 9.418 1.00 1.57 H new ATOM 0 HG3 ARG A 107 2.608 5.448 10.744 1.00 1.57 H new ATOM 0 HD2 ARG A 107 3.162 3.483 9.538 1.00 2.98 H new ATOM 0 HD3 ARG A 107 1.801 3.645 8.445 1.00 2.98 H new ATOM 0 HE ARG A 107 2.955 5.606 7.430 1.00 4.35 H new ATOM 0 HH11 ARG A 107 5.041 3.294 9.152 1.00 5.71 H new ATOM 0 HH12 ARG A 107 6.465 3.843 8.262 1.00 5.71 H new ATOM 0 HH21 ARG A 107 4.758 6.248 6.412 1.00 6.89 H new ATOM 0 HH22 ARG A 107 6.309 5.473 6.750 1.00 6.89 H new ATOM 239 N TYR A 108 -0.719 6.210 7.730 1.00 0.61 N ATOM 240 CA TYR A 108 -0.733 6.284 6.260 1.00 0.56 C ATOM 241 C TYR A 108 0.594 5.845 5.599 1.00 0.52 C ATOM 242 O TYR A 108 1.670 6.003 6.178 1.00 0.73 O ATOM 243 CB TYR A 108 -1.174 7.681 5.785 1.00 0.74 C ATOM 244 CG TYR A 108 -0.031 8.644 5.562 1.00 0.81 C ATOM 245 CD1 TYR A 108 0.663 8.641 4.332 1.00 1.84 C ATOM 246 CD2 TYR A 108 0.389 9.482 6.609 1.00 2.24 C ATOM 247 CE1 TYR A 108 1.787 9.469 4.167 1.00 1.89 C ATOM 248 CE2 TYR A 108 1.504 10.319 6.438 1.00 2.36 C ATOM 249 CZ TYR A 108 2.209 10.320 5.214 1.00 1.19 C ATOM 250 OH TYR A 108 3.292 11.130 5.058 1.00 1.45 O ATOM 0 H TYR A 108 -0.710 7.125 8.181 1.00 0.61 H new ATOM 0 HA TYR A 108 -1.472 5.556 5.926 1.00 0.56 H new ATOM 0 HB2 TYR A 108 -1.735 7.577 4.856 1.00 0.74 H new ATOM 0 HB3 TYR A 108 -1.855 8.106 6.522 1.00 0.74 H new ATOM 0 HD1 TYR A 108 0.332 8.006 3.523 1.00 1.84 H new ATOM 0 HD2 TYR A 108 -0.147 9.482 7.547 1.00 2.24 H new ATOM 0 HE1 TYR A 108 2.332 9.455 3.234 1.00 1.89 H new ATOM 0 HE2 TYR A 108 1.823 10.963 7.244 1.00 2.36 H new ATOM 0 HH TYR A 108 3.436 11.646 5.879 1.00 1.45 H new ATOM 260 N VAL A 109 0.516 5.332 4.371 1.00 0.48 N ATOM 261 CA VAL A 109 1.659 4.925 3.532 1.00 0.50 C ATOM 262 C VAL A 109 1.878 5.885 2.367 1.00 0.52 C ATOM 263 O VAL A 109 0.901 6.373 1.812 1.00 0.56 O ATOM 264 CB VAL A 109 1.449 3.502 2.975 1.00 0.55 C ATOM 265 CG1 VAL A 109 0.145 3.283 2.208 1.00 0.67 C ATOM 266 CG2 VAL A 109 2.609 3.083 2.069 1.00 0.72 C ATOM 0 H VAL A 109 -0.380 5.180 3.908 1.00 0.48 H new ATOM 0 HA VAL A 109 2.541 4.945 4.171 1.00 0.50 H new ATOM 0 HB VAL A 109 1.399 2.884 3.871 1.00 0.55 H new ATOM 0 HG11 VAL A 109 0.097 2.251 1.860 1.00 0.67 H new ATOM 0 HG12 VAL A 109 -0.701 3.485 2.864 1.00 0.67 H new ATOM 0 HG13 VAL A 109 0.109 3.957 1.352 1.00 0.67 H new ATOM 0 HG21 VAL A 109 2.431 2.076 1.693 1.00 0.72 H new ATOM 0 HG22 VAL A 109 2.684 3.776 1.231 1.00 0.72 H new ATOM 0 HG23 VAL A 109 3.539 3.099 2.638 1.00 0.72 H new ATOM 276 N GLY A 110 3.139 6.088 1.964 1.00 0.57 N ATOM 277 CA GLY A 110 3.506 6.654 0.659 1.00 0.63 C ATOM 278 C GLY A 110 4.175 5.632 -0.262 1.00 0.60 C ATOM 279 O GLY A 110 5.340 5.299 -0.046 1.00 0.74 O ATOM 0 H GLY A 110 3.946 5.860 2.545 1.00 0.57 H new ATOM 0 HA2 GLY A 110 2.612 7.044 0.173 1.00 0.63 H new ATOM 0 HA3 GLY A 110 4.180 7.497 0.810 1.00 0.63 H new ATOM 283 N CYS A 111 3.461 5.193 -1.302 1.00 0.56 N ATOM 284 CA CYS A 111 3.976 4.349 -2.371 1.00 0.60 C ATOM 285 C CYS A 111 4.393 5.164 -3.628 1.00 0.48 C ATOM 286 O CYS A 111 3.741 6.144 -4.016 1.00 0.51 O ATOM 287 CB CYS A 111 2.882 3.308 -2.655 1.00 0.88 C ATOM 288 SG CYS A 111 2.989 2.470 -4.271 1.00 1.01 S ATOM 0 H CYS A 111 2.475 5.426 -1.422 1.00 0.56 H new ATOM 0 HA CYS A 111 4.900 3.855 -2.071 1.00 0.60 H new ATOM 0 HB2 CYS A 111 2.914 2.551 -1.871 1.00 0.88 H new ATOM 0 HB3 CYS A 111 1.912 3.799 -2.585 1.00 0.88 H new ATOM 0 HG CYS A 111 1.891 1.809 -4.491 1.00 1.01 H new ATOM 293 N THR A 112 5.456 4.700 -4.302 1.00 0.51 N ATOM 294 CA THR A 112 5.900 5.168 -5.631 1.00 0.49 C ATOM 295 C THR A 112 5.831 4.096 -6.715 1.00 0.49 C ATOM 296 O THR A 112 6.435 4.240 -7.774 1.00 0.59 O ATOM 297 CB THR A 112 7.299 5.792 -5.591 1.00 0.59 C ATOM 298 OG1 THR A 112 8.161 4.968 -4.838 1.00 0.74 O ATOM 299 CG2 THR A 112 7.227 7.171 -4.951 1.00 0.61 C ATOM 0 H THR A 112 6.053 3.963 -3.927 1.00 0.51 H new ATOM 0 HA THR A 112 5.183 5.942 -5.903 1.00 0.49 H new ATOM 0 HB THR A 112 7.681 5.886 -6.607 1.00 0.59 H new ATOM 0 HG1 THR A 112 9.056 5.366 -4.814 1.00 0.74 H new ATOM 0 HG21 THR A 112 8.223 7.612 -4.924 1.00 0.61 H new ATOM 0 HG22 THR A 112 6.563 7.809 -5.535 1.00 0.61 H new ATOM 0 HG23 THR A 112 6.842 7.081 -3.935 1.00 0.61 H new ATOM 307 N GLY A 113 5.063 3.032 -6.493 1.00 0.54 N ATOM 308 CA GLY A 113 4.833 1.955 -7.460 1.00 0.65 C ATOM 309 C GLY A 113 5.467 0.643 -7.061 1.00 0.93 C ATOM 310 O GLY A 113 6.033 -0.037 -7.911 1.00 1.71 O ATOM 0 H GLY A 113 4.569 2.889 -5.612 1.00 0.54 H new ATOM 0 HA2 GLY A 113 3.760 1.809 -7.581 1.00 0.65 H new ATOM 0 HA3 GLY A 113 5.225 2.259 -8.431 1.00 0.65 H new ATOM 314 N SER A 114 5.415 0.315 -5.768 1.00 1.51 N ATOM 315 CA SER A 114 6.288 -0.692 -5.138 1.00 1.94 C ATOM 316 C SER A 114 7.750 -0.154 -5.037 1.00 1.66 C ATOM 317 O SER A 114 7.995 0.976 -5.471 1.00 1.55 O ATOM 318 CB SER A 114 6.110 -2.040 -5.872 1.00 2.70 C ATOM 319 OG SER A 114 7.073 -2.244 -6.881 1.00 2.79 O ATOM 0 H SER A 114 4.758 0.744 -5.116 1.00 1.51 H new ATOM 0 HA SER A 114 6.005 -0.884 -4.103 1.00 1.94 H new ATOM 0 HB2 SER A 114 6.171 -2.853 -5.149 1.00 2.70 H new ATOM 0 HB3 SER A 114 5.114 -2.079 -6.313 1.00 2.70 H new ATOM 0 HG SER A 114 7.001 -1.532 -7.551 1.00 2.79 H new ATOM 325 N PRO A 115 8.740 -0.881 -4.467 1.00 1.87 N ATOM 326 CA PRO A 115 10.078 -0.322 -4.211 1.00 1.86 C ATOM 327 C PRO A 115 10.876 0.092 -5.461 1.00 1.75 C ATOM 328 O PRO A 115 11.928 0.713 -5.327 1.00 2.04 O ATOM 329 CB PRO A 115 10.839 -1.391 -3.415 1.00 2.32 C ATOM 330 CG PRO A 115 10.085 -2.686 -3.700 1.00 2.66 C ATOM 331 CD PRO A 115 8.648 -2.222 -3.904 1.00 2.41 C ATOM 0 HA PRO A 115 9.956 0.615 -3.669 1.00 1.86 H new ATOM 0 HB2 PRO A 115 11.879 -1.458 -3.734 1.00 2.32 H new ATOM 0 HB3 PRO A 115 10.847 -1.162 -2.349 1.00 2.32 H new ATOM 0 HG2 PRO A 115 10.474 -3.191 -4.585 1.00 2.66 H new ATOM 0 HG3 PRO A 115 10.166 -3.389 -2.871 1.00 2.66 H new ATOM 0 HD2 PRO A 115 8.112 -2.892 -4.576 1.00 2.41 H new ATOM 0 HD3 PRO A 115 8.102 -2.213 -2.961 1.00 2.41 H new ATOM 339 N ALA A 116 10.414 -0.249 -6.667 1.00 1.84 N ATOM 340 CA ALA A 116 11.126 -0.032 -7.926 1.00 2.09 C ATOM 341 C ALA A 116 10.739 1.279 -8.648 1.00 1.85 C ATOM 342 O ALA A 116 10.691 1.317 -9.879 1.00 2.44 O ATOM 343 CB ALA A 116 10.926 -1.291 -8.774 1.00 2.61 C ATOM 0 H ALA A 116 9.507 -0.697 -6.796 1.00 1.84 H new ATOM 0 HA ALA A 116 12.188 0.118 -7.730 1.00 2.09 H new ATOM 0 HB1 ALA A 116 11.442 -1.174 -9.727 1.00 2.61 H new ATOM 0 HB2 ALA A 116 11.331 -2.154 -8.246 1.00 2.61 H new ATOM 0 HB3 ALA A 116 9.862 -1.443 -8.954 1.00 2.61 H new ATOM 349 N GLY A 117 10.416 2.347 -7.902 1.00 1.28 N ATOM 350 CA GLY A 117 10.358 3.733 -8.414 1.00 1.25 C ATOM 351 C GLY A 117 9.396 3.952 -9.587 1.00 1.10 C ATOM 352 O GLY A 117 9.672 4.730 -10.502 1.00 1.63 O ATOM 0 H GLY A 117 10.184 2.275 -6.911 1.00 1.28 H new ATOM 0 HA2 GLY A 117 10.067 4.394 -7.597 1.00 1.25 H new ATOM 0 HA3 GLY A 117 11.359 4.032 -8.725 1.00 1.25 H new ATOM 356 N SER A 118 8.309 3.193 -9.625 1.00 0.84 N ATOM 357 CA SER A 118 7.698 2.789 -10.887 1.00 0.89 C ATOM 358 C SER A 118 6.729 3.832 -11.457 1.00 0.85 C ATOM 359 O SER A 118 6.721 4.031 -12.670 1.00 1.04 O ATOM 360 CB SER A 118 7.088 1.394 -10.719 1.00 0.95 C ATOM 361 OG SER A 118 8.115 0.416 -10.725 1.00 1.70 O ATOM 0 H SER A 118 7.830 2.843 -8.795 1.00 0.84 H new ATOM 0 HA SER A 118 8.473 2.730 -11.651 1.00 0.89 H new ATOM 0 HB2 SER A 118 6.529 1.342 -9.785 1.00 0.95 H new ATOM 0 HB3 SER A 118 6.381 1.197 -11.525 1.00 0.95 H new ATOM 0 HG SER A 118 8.964 0.832 -10.469 1.00 1.70 H new ATOM 367 N HIS A 119 6.024 4.606 -10.629 1.00 0.69 N ATOM 368 CA HIS A 119 5.085 5.654 -11.063 1.00 0.68 C ATOM 369 C HIS A 119 5.414 7.036 -10.481 1.00 0.72 C ATOM 370 O HIS A 119 6.600 7.373 -10.387 1.00 1.37 O ATOM 371 CB HIS A 119 3.670 5.138 -10.810 1.00 0.62 C ATOM 372 CG HIS A 119 3.228 4.937 -9.374 1.00 0.47 C ATOM 373 ND1 HIS A 119 3.011 5.887 -8.433 1.00 0.49 N ATOM 374 CD2 HIS A 119 2.835 3.744 -8.861 1.00 0.44 C ATOM 375 CE1 HIS A 119 2.533 5.326 -7.325 1.00 0.42 C ATOM 376 NE2 HIS A 119 2.372 4.010 -7.556 1.00 0.42 N ATOM 0 H HIS A 119 6.088 4.523 -9.614 1.00 0.69 H new ATOM 0 HA HIS A 119 5.180 5.844 -12.132 1.00 0.68 H new ATOM 0 HB2 HIS A 119 2.973 5.833 -11.279 1.00 0.62 H new ATOM 0 HB3 HIS A 119 3.566 4.184 -11.327 1.00 0.62 H new ATOM 0 HD2 HIS A 119 2.870 2.783 -9.353 1.00 0.44 H new ATOM 0 HE1 HIS A 119 2.312 5.838 -6.400 1.00 0.42 H new ATOM 0 HE2 HIS A 119 1.985 3.328 -6.904 1.00 0.42 H new ATOM 384 N THR A 120 4.408 7.857 -10.155 1.00 0.64 N ATOM 385 CA THR A 120 4.576 9.051 -9.305 1.00 0.65 C ATOM 386 C THR A 120 4.657 8.666 -7.828 1.00 0.59 C ATOM 387 O THR A 120 5.023 7.546 -7.515 1.00 0.56 O ATOM 388 CB THR A 120 3.483 10.049 -9.675 1.00 0.75 C ATOM 389 OG1 THR A 120 3.891 11.310 -9.211 1.00 0.84 O ATOM 390 CG2 THR A 120 2.108 9.706 -9.111 1.00 0.72 C ATOM 0 H THR A 120 3.449 7.715 -10.473 1.00 0.64 H new ATOM 0 HA THR A 120 5.528 9.550 -9.486 1.00 0.65 H new ATOM 0 HB THR A 120 3.362 10.027 -10.758 1.00 0.75 H new ATOM 0 HG1 THR A 120 3.209 11.977 -9.435 1.00 0.84 H new ATOM 0 HG21 THR A 120 1.389 10.464 -9.420 1.00 0.72 H new ATOM 0 HG22 THR A 120 1.793 8.733 -9.487 1.00 0.72 H new ATOM 0 HG23 THR A 120 2.158 9.676 -8.023 1.00 0.72 H new ATOM 398 N ILE A 121 4.285 9.557 -6.925 1.00 0.65 N ATOM 399 CA ILE A 121 3.985 9.328 -5.508 1.00 0.65 C ATOM 400 C ILE A 121 2.472 9.435 -5.249 1.00 0.69 C ATOM 401 O ILE A 121 1.761 10.176 -5.921 1.00 0.89 O ATOM 402 CB ILE A 121 4.795 10.339 -4.677 1.00 0.80 C ATOM 403 CG1 ILE A 121 4.661 10.126 -3.160 1.00 0.81 C ATOM 404 CG2 ILE A 121 4.364 11.779 -4.948 1.00 0.94 C ATOM 405 CD1 ILE A 121 5.531 9.008 -2.628 1.00 0.84 C ATOM 0 H ILE A 121 4.174 10.539 -7.176 1.00 0.65 H new ATOM 0 HA ILE A 121 4.274 8.319 -5.213 1.00 0.65 H new ATOM 0 HB ILE A 121 5.826 10.169 -4.987 1.00 0.80 H new ATOM 0 HG12 ILE A 121 4.919 11.052 -2.647 1.00 0.81 H new ATOM 0 HG13 ILE A 121 3.619 9.910 -2.922 1.00 0.81 H new ATOM 0 HG21 ILE A 121 4.962 12.458 -4.340 1.00 0.94 H new ATOM 0 HG22 ILE A 121 4.511 12.011 -6.003 1.00 0.94 H new ATOM 0 HG23 ILE A 121 3.311 11.897 -4.694 1.00 0.94 H new ATOM 0 HD11 ILE A 121 5.385 8.914 -1.552 1.00 0.84 H new ATOM 0 HD12 ILE A 121 5.258 8.071 -3.114 1.00 0.84 H new ATOM 0 HD13 ILE A 121 6.578 9.232 -2.834 1.00 0.84 H new ATOM 417 N MET A 122 1.986 8.714 -4.246 1.00 0.64 N ATOM 418 CA MET A 122 0.592 8.704 -3.789 1.00 0.71 C ATOM 419 C MET A 122 0.474 8.168 -2.357 1.00 0.65 C ATOM 420 O MET A 122 1.396 7.509 -1.877 1.00 0.75 O ATOM 421 CB MET A 122 -0.248 7.885 -4.771 1.00 1.03 C ATOM 422 CG MET A 122 0.287 6.462 -4.945 1.00 0.95 C ATOM 423 SD MET A 122 -0.520 5.238 -3.935 1.00 3.08 S ATOM 424 CE MET A 122 -2.079 5.336 -4.822 1.00 3.78 C ATOM 0 H MET A 122 2.578 8.088 -3.699 1.00 0.64 H new ATOM 0 HA MET A 122 0.214 9.726 -3.766 1.00 0.71 H new ATOM 0 HB2 MET A 122 -1.278 7.843 -4.418 1.00 1.03 H new ATOM 0 HB3 MET A 122 -0.263 8.386 -5.739 1.00 1.03 H new ATOM 0 HG2 MET A 122 0.185 6.175 -5.992 1.00 0.95 H new ATOM 0 HG3 MET A 122 1.353 6.458 -4.716 1.00 0.95 H new ATOM 0 HE1 MET A 122 -2.622 4.398 -4.708 1.00 3.78 H new ATOM 0 HE2 MET A 122 -2.677 6.153 -4.418 1.00 3.78 H new ATOM 0 HE3 MET A 122 -1.885 5.516 -5.879 1.00 3.78 H new ATOM 434 N TRP A 123 -0.646 8.445 -1.675 1.00 0.60 N ATOM 435 CA TRP A 123 -0.770 8.234 -0.226 1.00 0.58 C ATOM 436 C TRP A 123 -2.040 7.448 0.145 1.00 0.57 C ATOM 437 O TRP A 123 -3.121 7.791 -0.336 1.00 0.84 O ATOM 438 CB TRP A 123 -0.748 9.584 0.516 1.00 0.62 C ATOM 439 CG TRP A 123 0.141 10.660 -0.040 1.00 0.71 C ATOM 440 CD1 TRP A 123 -0.278 11.754 -0.716 1.00 1.06 C ATOM 441 CD2 TRP A 123 1.594 10.785 0.045 1.00 0.80 C ATOM 442 NE1 TRP A 123 0.806 12.545 -1.046 1.00 1.12 N ATOM 443 CE2 TRP A 123 1.986 12.006 -0.579 1.00 0.88 C ATOM 444 CE3 TRP A 123 2.618 10.000 0.611 1.00 1.20 C ATOM 445 CZ2 TRP A 123 3.321 12.435 -0.618 1.00 1.00 C ATOM 446 CZ3 TRP A 123 3.961 10.418 0.585 1.00 1.48 C ATOM 447 CH2 TRP A 123 4.313 11.637 -0.023 1.00 1.28 C ATOM 0 H TRP A 123 -1.489 8.820 -2.110 1.00 0.60 H new ATOM 0 HA TRP A 123 0.086 7.634 0.084 1.00 0.58 H new ATOM 0 HB2 TRP A 123 -1.767 9.970 0.545 1.00 0.62 H new ATOM 0 HB3 TRP A 123 -0.448 9.398 1.547 1.00 0.62 H new ATOM 0 HD1 TRP A 123 -1.306 11.976 -0.961 1.00 1.06 H new ATOM 0 HE1 TRP A 123 0.741 13.418 -1.569 1.00 1.12 H new ATOM 0 HE3 TRP A 123 2.367 9.058 1.075 1.00 1.20 H new ATOM 0 HZ2 TRP A 123 3.583 13.366 -1.099 1.00 1.00 H new ATOM 0 HZ3 TRP A 123 4.725 9.801 1.034 1.00 1.48 H new ATOM 0 HH2 TRP A 123 5.344 11.959 -0.032 1.00 1.28 H new ATOM 458 N LEU A 124 -1.933 6.423 1.008 1.00 0.49 N ATOM 459 CA LEU A 124 -3.058 5.539 1.364 1.00 0.54 C ATOM 460 C LEU A 124 -3.150 5.374 2.885 1.00 0.57 C ATOM 461 O LEU A 124 -2.133 5.479 3.569 1.00 0.51 O ATOM 462 CB LEU A 124 -2.908 4.151 0.699 1.00 0.59 C ATOM 463 CG LEU A 124 -2.201 4.115 -0.671 1.00 0.59 C ATOM 464 CD1 LEU A 124 -1.960 2.666 -1.089 1.00 0.72 C ATOM 465 CD2 LEU A 124 -3.026 4.834 -1.744 1.00 0.61 C ATOM 0 H LEU A 124 -1.061 6.183 1.480 1.00 0.49 H new ATOM 0 HA LEU A 124 -3.973 6.003 0.997 1.00 0.54 H new ATOM 0 HB2 LEU A 124 -2.359 3.503 1.383 1.00 0.59 H new ATOM 0 HB3 LEU A 124 -3.902 3.721 0.581 1.00 0.59 H new ATOM 0 HG LEU A 124 -1.247 4.634 -0.574 1.00 0.59 H new ATOM 0 HD11 LEU A 124 -1.460 2.645 -2.057 1.00 0.72 H new ATOM 0 HD12 LEU A 124 -1.333 2.173 -0.346 1.00 0.72 H new ATOM 0 HD13 LEU A 124 -2.915 2.145 -1.162 1.00 0.72 H new ATOM 0 HD21 LEU A 124 -2.500 4.790 -2.698 1.00 0.61 H new ATOM 0 HD22 LEU A 124 -3.997 4.348 -1.843 1.00 0.61 H new ATOM 0 HD23 LEU A 124 -3.169 5.875 -1.456 1.00 0.61 H new ATOM 477 N LYS A 125 -4.331 5.049 3.424 1.00 0.72 N ATOM 478 CA LYS A 125 -4.516 4.781 4.865 1.00 0.69 C ATOM 479 C LYS A 125 -4.914 3.307 5.107 1.00 0.56 C ATOM 480 O LYS A 125 -6.082 2.954 4.938 1.00 0.67 O ATOM 481 CB LYS A 125 -5.434 5.858 5.516 1.00 0.93 C ATOM 482 CG LYS A 125 -6.964 5.647 5.518 1.00 2.13 C ATOM 483 CD LYS A 125 -7.457 4.848 6.749 1.00 3.17 C ATOM 484 CE LYS A 125 -8.667 3.961 6.415 1.00 4.56 C ATOM 485 NZ LYS A 125 -9.019 3.083 7.557 1.00 5.66 N ATOM 0 H LYS A 125 -5.188 4.963 2.878 1.00 0.72 H new ATOM 0 HA LYS A 125 -3.568 4.887 5.392 1.00 0.69 H new ATOM 0 HB2 LYS A 125 -5.118 5.974 6.553 1.00 0.93 H new ATOM 0 HB3 LYS A 125 -5.235 6.805 5.014 1.00 0.93 H new ATOM 0 HG2 LYS A 125 -7.460 6.617 5.498 1.00 2.13 H new ATOM 0 HG3 LYS A 125 -7.255 5.121 4.609 1.00 2.13 H new ATOM 0 HD2 LYS A 125 -6.645 4.226 7.126 1.00 3.17 H new ATOM 0 HD3 LYS A 125 -7.725 5.541 7.547 1.00 3.17 H new ATOM 0 HE2 LYS A 125 -9.521 4.588 6.158 1.00 4.56 H new ATOM 0 HE3 LYS A 125 -8.444 3.351 5.539 1.00 4.56 H new ATOM 0 HZ1 LYS A 125 -9.748 2.403 7.260 1.00 5.66 H new ATOM 0 HZ2 LYS A 125 -8.173 2.568 7.872 1.00 5.66 H new ATOM 0 HZ3 LYS A 125 -9.384 3.662 8.340 1.00 5.66 H new ATOM 499 N PRO A 126 -3.974 2.407 5.446 1.00 0.52 N ATOM 500 CA PRO A 126 -4.319 1.122 6.043 1.00 0.78 C ATOM 501 C PRO A 126 -4.682 1.342 7.523 1.00 1.17 C ATOM 502 O PRO A 126 -4.647 2.471 8.013 1.00 2.55 O ATOM 503 CB PRO A 126 -3.082 0.251 5.819 1.00 0.90 C ATOM 504 CG PRO A 126 -1.939 1.262 5.926 1.00 0.75 C ATOM 505 CD PRO A 126 -2.529 2.530 5.307 1.00 0.53 C ATOM 0 HA PRO A 126 -5.190 0.633 5.607 1.00 0.78 H new ATOM 0 HB2 PRO A 126 -2.999 -0.536 6.569 1.00 0.90 H new ATOM 0 HB3 PRO A 126 -3.101 -0.238 4.845 1.00 0.90 H new ATOM 0 HG2 PRO A 126 -1.640 1.422 6.962 1.00 0.75 H new ATOM 0 HG3 PRO A 126 -1.053 0.926 5.387 1.00 0.75 H new ATOM 0 HD2 PRO A 126 -2.162 3.421 5.817 1.00 0.53 H new ATOM 0 HD3 PRO A 126 -2.244 2.622 4.259 1.00 0.53 H new ATOM 513 N THR A 127 -5.052 0.263 8.216 1.00 0.59 N ATOM 514 CA THR A 127 -5.452 0.236 9.632 1.00 0.57 C ATOM 515 C THR A 127 -4.931 -1.077 10.197 1.00 0.54 C ATOM 516 O THR A 127 -4.836 -2.032 9.431 1.00 0.56 O ATOM 517 CB THR A 127 -6.975 0.275 9.791 1.00 0.69 C ATOM 518 OG1 THR A 127 -7.545 1.055 8.770 1.00 1.00 O ATOM 519 CG2 THR A 127 -7.505 0.860 11.085 1.00 0.74 C ATOM 0 H THR A 127 -5.084 -0.662 7.788 1.00 0.59 H new ATOM 0 HA THR A 127 -5.048 1.106 10.149 1.00 0.57 H new ATOM 0 HB THR A 127 -7.250 -0.779 9.764 1.00 0.69 H new ATOM 0 HG1 THR A 127 -8.522 1.020 8.838 1.00 1.00 H new ATOM 0 HG21 THR A 127 -8.595 0.832 11.078 1.00 0.74 H new ATOM 0 HG22 THR A 127 -7.133 0.277 11.927 1.00 0.74 H new ATOM 0 HG23 THR A 127 -7.169 1.892 11.182 1.00 0.74 H new ATOM 527 N VAL A 128 -4.679 -1.236 11.489 1.00 0.58 N ATOM 528 CA VAL A 128 -4.268 -2.571 11.997 1.00 0.52 C ATOM 529 C VAL A 128 -5.410 -3.594 11.769 1.00 0.52 C ATOM 530 O VAL A 128 -5.174 -4.776 11.519 1.00 0.60 O ATOM 531 CB VAL A 128 -3.818 -2.514 13.469 1.00 0.65 C ATOM 532 CG1 VAL A 128 -5.021 -2.304 14.390 1.00 0.87 C ATOM 533 CG2 VAL A 128 -3.014 -3.776 13.850 1.00 0.83 C ATOM 0 H VAL A 128 -4.743 -0.501 12.193 1.00 0.58 H new ATOM 0 HA VAL A 128 -3.397 -2.904 11.433 1.00 0.52 H new ATOM 0 HB VAL A 128 -3.153 -1.660 13.596 1.00 0.65 H new ATOM 0 HG11 VAL A 128 -4.684 -2.266 15.426 1.00 0.87 H new ATOM 0 HG12 VAL A 128 -5.515 -1.367 14.135 1.00 0.87 H new ATOM 0 HG13 VAL A 128 -5.722 -3.129 14.266 1.00 0.87 H new ATOM 0 HG21 VAL A 128 -2.708 -3.711 14.894 1.00 0.83 H new ATOM 0 HG22 VAL A 128 -3.636 -4.660 13.708 1.00 0.83 H new ATOM 0 HG23 VAL A 128 -2.130 -3.849 13.217 1.00 0.83 H new ATOM 543 N ASN A 129 -6.648 -3.086 11.750 1.00 0.59 N ATOM 544 CA ASN A 129 -7.901 -3.751 11.391 1.00 0.79 C ATOM 545 C ASN A 129 -8.074 -4.030 9.886 1.00 0.74 C ATOM 546 O ASN A 129 -8.964 -4.793 9.519 1.00 0.92 O ATOM 547 CB ASN A 129 -9.047 -2.860 11.905 1.00 1.09 C ATOM 548 CG ASN A 129 -9.105 -2.788 13.427 1.00 1.35 C ATOM 549 OD1 ASN A 129 -9.711 -3.636 14.067 1.00 1.64 O ATOM 550 ND2 ASN A 129 -8.494 -1.795 14.052 1.00 1.59 N ATOM 0 H ASN A 129 -6.810 -2.113 12.009 1.00 0.59 H new ATOM 0 HA ASN A 129 -7.901 -4.739 11.852 1.00 0.79 H new ATOM 0 HB2 ASN A 129 -8.927 -1.854 11.503 1.00 1.09 H new ATOM 0 HB3 ASN A 129 -9.995 -3.243 11.528 1.00 1.09 H new ATOM 0 HD21 ASN A 129 -8.528 -1.735 15.070 1.00 1.59 H new ATOM 0 HD22 ASN A 129 -7.989 -1.089 13.516 1.00 1.59 H new ATOM 557 N GLU A 130 -7.279 -3.409 9.007 1.00 0.57 N ATOM 558 CA GLU A 130 -7.623 -3.259 7.590 1.00 0.51 C ATOM 559 C GLU A 130 -6.422 -3.321 6.646 1.00 0.44 C ATOM 560 O GLU A 130 -5.266 -3.424 7.037 1.00 0.80 O ATOM 561 CB GLU A 130 -8.353 -1.924 7.340 1.00 0.67 C ATOM 562 CG GLU A 130 -9.563 -1.694 8.236 1.00 0.70 C ATOM 563 CD GLU A 130 -10.335 -0.464 7.748 1.00 1.18 C ATOM 564 OE1 GLU A 130 -9.986 0.649 8.212 1.00 1.86 O ATOM 565 OE2 GLU A 130 -11.175 -0.596 6.842 1.00 1.99 O ATOM 0 H GLU A 130 -6.380 -2.997 9.258 1.00 0.57 H new ATOM 0 HA GLU A 130 -8.267 -4.110 7.370 1.00 0.51 H new ATOM 0 HB2 GLU A 130 -7.648 -1.105 7.484 1.00 0.67 H new ATOM 0 HB3 GLU A 130 -8.674 -1.888 6.299 1.00 0.67 H new ATOM 0 HG2 GLU A 130 -10.210 -2.571 8.223 1.00 0.70 H new ATOM 0 HG3 GLU A 130 -9.242 -1.549 9.268 1.00 0.70 H new ATOM 572 N VAL A 131 -6.744 -3.217 5.365 1.00 0.40 N ATOM 573 CA VAL A 131 -5.854 -3.118 4.213 1.00 0.39 C ATOM 574 C VAL A 131 -6.133 -1.806 3.460 1.00 0.44 C ATOM 575 O VAL A 131 -7.181 -1.192 3.665 1.00 0.53 O ATOM 576 CB VAL A 131 -6.063 -4.327 3.292 1.00 0.39 C ATOM 577 CG1 VAL A 131 -5.661 -5.596 4.023 1.00 0.37 C ATOM 578 CG2 VAL A 131 -7.496 -4.464 2.760 1.00 0.43 C ATOM 0 H VAL A 131 -7.723 -3.198 5.078 1.00 0.40 H new ATOM 0 HA VAL A 131 -4.817 -3.115 4.549 1.00 0.39 H new ATOM 0 HB VAL A 131 -5.430 -4.165 2.419 1.00 0.39 H new ATOM 0 HG11 VAL A 131 -5.809 -6.455 3.369 1.00 0.37 H new ATOM 0 HG12 VAL A 131 -4.611 -5.534 4.308 1.00 0.37 H new ATOM 0 HG13 VAL A 131 -6.274 -5.711 4.917 1.00 0.37 H new ATOM 0 HG21 VAL A 131 -7.563 -5.342 2.117 1.00 0.43 H new ATOM 0 HG22 VAL A 131 -8.186 -4.574 3.597 1.00 0.43 H new ATOM 0 HG23 VAL A 131 -7.758 -3.574 2.188 1.00 0.43 H new ATOM 588 N ALA A 132 -5.238 -1.388 2.563 1.00 0.41 N ATOM 589 CA ALA A 132 -5.426 -0.229 1.680 1.00 0.46 C ATOM 590 C ALA A 132 -4.871 -0.506 0.278 1.00 0.40 C ATOM 591 O ALA A 132 -3.739 -0.963 0.162 1.00 0.38 O ATOM 592 CB ALA A 132 -4.736 0.980 2.310 1.00 0.61 C ATOM 0 H ALA A 132 -4.341 -1.854 2.425 1.00 0.41 H new ATOM 0 HA ALA A 132 -6.491 -0.027 1.568 1.00 0.46 H new ATOM 0 HB1 ALA A 132 -4.866 1.850 1.666 1.00 0.61 H new ATOM 0 HB2 ALA A 132 -5.176 1.182 3.286 1.00 0.61 H new ATOM 0 HB3 ALA A 132 -3.673 0.772 2.427 1.00 0.61 H new ATOM 598 N ARG A 133 -5.639 -0.221 -0.778 1.00 0.45 N ATOM 599 CA ARG A 133 -5.229 -0.485 -2.158 1.00 0.44 C ATOM 600 C ARG A 133 -4.977 0.800 -2.956 1.00 0.50 C ATOM 601 O ARG A 133 -5.777 1.735 -2.893 1.00 0.62 O ATOM 602 CB ARG A 133 -6.282 -1.400 -2.802 1.00 0.76 C ATOM 603 CG ARG A 133 -5.732 -2.141 -4.029 1.00 0.88 C ATOM 604 CD ARG A 133 -5.819 -1.321 -5.312 1.00 1.17 C ATOM 605 NE ARG A 133 -6.848 -1.757 -6.275 1.00 1.44 N ATOM 606 CZ ARG A 133 -6.630 -1.799 -7.586 1.00 2.53 C ATOM 607 NH1 ARG A 133 -5.468 -2.130 -8.098 1.00 3.54 N ATOM 608 NH2 ARG A 133 -7.580 -1.483 -8.435 1.00 3.44 N ATOM 0 H ARG A 133 -6.565 0.200 -0.698 1.00 0.45 H new ATOM 0 HA ARG A 133 -4.265 -0.994 -2.162 1.00 0.44 H new ATOM 0 HB2 ARG A 133 -6.629 -2.126 -2.067 1.00 0.76 H new ATOM 0 HB3 ARG A 133 -7.147 -0.805 -3.096 1.00 0.76 H new ATOM 0 HG2 ARG A 133 -4.692 -2.411 -3.847 1.00 0.88 H new ATOM 0 HG3 ARG A 133 -6.284 -3.072 -4.162 1.00 0.88 H new ATOM 0 HD2 ARG A 133 -6.012 -0.282 -5.046 1.00 1.17 H new ATOM 0 HD3 ARG A 133 -4.848 -1.348 -5.807 1.00 1.17 H new ATOM 0 HE ARG A 133 -7.763 -2.037 -5.921 1.00 1.44 H new ATOM 0 HH11 ARG A 133 -4.689 -2.368 -7.484 1.00 3.54 H new ATOM 0 HH12 ARG A 133 -5.344 -2.150 -9.110 1.00 3.54 H new ATOM 0 HH21 ARG A 133 -8.498 -1.201 -8.091 1.00 3.44 H new ATOM 0 HH22 ARG A 133 -7.400 -1.519 -9.438 1.00 3.44 H new ATOM 622 N CYS A 134 -3.904 0.793 -3.746 1.00 0.55 N ATOM 623 CA CYS A 134 -3.461 1.871 -4.617 1.00 0.55 C ATOM 624 C CYS A 134 -4.361 2.133 -5.857 1.00 0.63 C ATOM 625 O CYS A 134 -5.041 1.249 -6.378 1.00 1.07 O ATOM 626 CB CYS A 134 -1.987 1.521 -4.920 1.00 0.47 C ATOM 627 SG CYS A 134 -1.018 2.533 -6.088 1.00 0.65 S ATOM 0 H CYS A 134 -3.286 -0.017 -3.795 1.00 0.55 H new ATOM 0 HA CYS A 134 -3.547 2.845 -4.135 1.00 0.55 H new ATOM 0 HB2 CYS A 134 -1.453 1.526 -3.970 1.00 0.47 H new ATOM 0 HB3 CYS A 134 -1.969 0.496 -5.290 1.00 0.47 H new ATOM 0 HG CYS A 134 0.082 1.911 -6.392 1.00 0.65 H new ATOM 632 N TRP A 135 -4.344 3.373 -6.347 1.00 0.61 N ATOM 633 CA TRP A 135 -4.948 3.755 -7.628 1.00 0.69 C ATOM 634 C TRP A 135 -3.931 3.841 -8.785 1.00 0.69 C ATOM 635 O TRP A 135 -4.355 3.984 -9.927 1.00 0.87 O ATOM 636 CB TRP A 135 -5.725 5.068 -7.433 1.00 0.74 C ATOM 637 CG TRP A 135 -4.914 6.301 -7.159 1.00 0.71 C ATOM 638 CD1 TRP A 135 -4.609 6.802 -5.941 1.00 0.80 C ATOM 639 CD2 TRP A 135 -4.252 7.178 -8.122 1.00 0.86 C ATOM 640 NE1 TRP A 135 -3.834 7.936 -6.085 1.00 0.95 N ATOM 641 CE2 TRP A 135 -3.549 8.194 -7.408 1.00 0.99 C ATOM 642 CE3 TRP A 135 -4.127 7.181 -9.528 1.00 1.05 C ATOM 643 CZ2 TRP A 135 -2.757 9.157 -8.053 1.00 1.24 C ATOM 644 CZ3 TRP A 135 -3.292 8.101 -10.182 1.00 1.28 C ATOM 645 CH2 TRP A 135 -2.614 9.096 -9.450 1.00 1.36 C ATOM 0 H TRP A 135 -3.904 4.153 -5.859 1.00 0.61 H new ATOM 0 HA TRP A 135 -5.636 2.966 -7.932 1.00 0.69 H new ATOM 0 HB2 TRP A 135 -6.321 5.246 -8.328 1.00 0.74 H new ATOM 0 HB3 TRP A 135 -6.423 4.930 -6.607 1.00 0.74 H new ATOM 0 HD1 TRP A 135 -4.924 6.379 -4.998 1.00 0.80 H new ATOM 0 HE1 TRP A 135 -3.512 8.512 -5.307 1.00 0.95 H new ATOM 0 HE3 TRP A 135 -4.684 6.463 -10.111 1.00 1.05 H new ATOM 0 HZ2 TRP A 135 -2.265 9.933 -7.485 1.00 1.24 H new ATOM 0 HZ3 TRP A 135 -3.169 8.046 -11.253 1.00 1.28 H new ATOM 0 HH2 TRP A 135 -1.986 9.810 -9.961 1.00 1.36 H new ATOM 656 N GLU A 136 -2.626 3.777 -8.499 1.00 0.59 N ATOM 657 CA GLU A 136 -1.539 3.901 -9.472 1.00 0.60 C ATOM 658 C GLU A 136 -1.061 2.484 -9.899 1.00 0.66 C ATOM 659 O GLU A 136 -1.758 1.827 -10.666 1.00 0.93 O ATOM 660 CB GLU A 136 -0.446 4.764 -8.824 1.00 0.54 C ATOM 661 CG GLU A 136 -0.401 6.218 -9.277 1.00 0.66 C ATOM 662 CD GLU A 136 0.432 6.340 -10.550 1.00 1.05 C ATOM 663 OE1 GLU A 136 0.317 5.438 -11.409 1.00 1.73 O ATOM 664 OE2 GLU A 136 1.270 7.273 -10.619 1.00 1.57 O ATOM 0 H GLU A 136 -2.287 3.632 -7.548 1.00 0.59 H new ATOM 0 HA GLU A 136 -1.853 4.393 -10.393 1.00 0.60 H new ATOM 0 HB2 GLU A 136 -0.585 4.743 -7.743 1.00 0.54 H new ATOM 0 HB3 GLU A 136 0.522 4.308 -9.030 1.00 0.54 H new ATOM 0 HG2 GLU A 136 -1.412 6.583 -9.457 1.00 0.66 H new ATOM 0 HG3 GLU A 136 0.027 6.840 -8.491 1.00 0.66 H new ATOM 671 N CYS A 137 0.051 1.947 -9.354 1.00 0.63 N ATOM 672 CA CYS A 137 0.441 0.545 -9.515 1.00 0.63 C ATOM 673 C CYS A 137 -0.672 -0.422 -9.067 1.00 0.69 C ATOM 674 O CYS A 137 -0.753 -1.558 -9.538 1.00 1.06 O ATOM 675 CB CYS A 137 1.739 0.286 -8.724 1.00 0.60 C ATOM 676 SG CYS A 137 1.579 0.438 -6.907 1.00 0.60 S ATOM 0 H CYS A 137 0.704 2.486 -8.786 1.00 0.63 H new ATOM 0 HA CYS A 137 0.611 0.357 -10.575 1.00 0.63 H new ATOM 0 HB2 CYS A 137 2.097 -0.716 -8.960 1.00 0.60 H new ATOM 0 HB3 CYS A 137 2.501 0.986 -9.067 1.00 0.60 H new ATOM 0 HG CYS A 137 2.301 1.436 -6.490 1.00 0.60 H new ATOM 681 N GLY A 138 -1.500 -0.007 -8.108 1.00 0.51 N ATOM 682 CA GLY A 138 -2.639 -0.785 -7.668 1.00 0.60 C ATOM 683 C GLY A 138 -2.259 -1.987 -6.812 1.00 0.58 C ATOM 684 O GLY A 138 -3.046 -2.932 -6.744 1.00 0.73 O ATOM 0 H GLY A 138 -1.392 0.881 -7.619 1.00 0.51 H new ATOM 0 HA2 GLY A 138 -3.311 -0.142 -7.100 1.00 0.60 H new ATOM 0 HA3 GLY A 138 -3.192 -1.131 -8.541 1.00 0.60 H new ATOM 688 N SER A 139 -1.100 -1.986 -6.146 1.00 0.50 N ATOM 689 CA SER A 139 -0.874 -2.974 -5.087 1.00 0.51 C ATOM 690 C SER A 139 -1.810 -2.733 -3.902 1.00 0.44 C ATOM 691 O SER A 139 -2.271 -1.616 -3.670 1.00 0.59 O ATOM 692 CB SER A 139 0.604 -3.138 -4.674 1.00 0.63 C ATOM 693 OG SER A 139 0.925 -2.624 -3.417 1.00 1.45 O ATOM 0 H SER A 139 -0.330 -1.338 -6.312 1.00 0.50 H new ATOM 0 HA SER A 139 -1.130 -3.943 -5.515 1.00 0.51 H new ATOM 0 HB2 SER A 139 0.855 -4.199 -4.691 1.00 0.63 H new ATOM 0 HB3 SER A 139 1.231 -2.650 -5.420 1.00 0.63 H new ATOM 0 HG SER A 139 1.092 -1.661 -3.490 1.00 1.45 H new ATOM 699 N VAL A 140 -2.081 -3.809 -3.170 1.00 0.45 N ATOM 700 CA VAL A 140 -2.733 -3.733 -1.866 1.00 0.39 C ATOM 701 C VAL A 140 -1.619 -3.767 -0.846 1.00 0.35 C ATOM 702 O VAL A 140 -0.665 -4.520 -1.009 1.00 0.42 O ATOM 703 CB VAL A 140 -3.711 -4.894 -1.584 1.00 0.47 C ATOM 704 CG1 VAL A 140 -4.363 -4.782 -0.190 1.00 0.49 C ATOM 705 CG2 VAL A 140 -4.845 -4.957 -2.609 1.00 0.57 C ATOM 0 H VAL A 140 -1.855 -4.759 -3.464 1.00 0.45 H new ATOM 0 HA VAL A 140 -3.337 -2.826 -1.827 1.00 0.39 H new ATOM 0 HB VAL A 140 -3.101 -5.795 -1.642 1.00 0.47 H new ATOM 0 HG11 VAL A 140 -5.042 -5.621 -0.038 1.00 0.49 H new ATOM 0 HG12 VAL A 140 -3.588 -4.799 0.576 1.00 0.49 H new ATOM 0 HG13 VAL A 140 -4.920 -3.847 -0.123 1.00 0.49 H new ATOM 0 HG21 VAL A 140 -5.507 -5.789 -2.369 1.00 0.57 H new ATOM 0 HG22 VAL A 140 -5.410 -4.025 -2.584 1.00 0.57 H new ATOM 0 HG23 VAL A 140 -4.427 -5.101 -3.605 1.00 0.57 H new ATOM 715 N TYR A 141 -1.799 -2.968 0.190 1.00 0.31 N ATOM 716 CA TYR A 141 -0.889 -2.729 1.315 1.00 0.30 C ATOM 717 C TYR A 141 -1.557 -3.021 2.653 1.00 0.31 C ATOM 718 O TYR A 141 -2.771 -2.851 2.791 1.00 0.38 O ATOM 719 CB TYR A 141 -0.484 -1.250 1.346 1.00 0.30 C ATOM 720 CG TYR A 141 0.397 -0.839 0.202 1.00 0.34 C ATOM 721 CD1 TYR A 141 -0.160 -0.432 -1.026 1.00 2.07 C ATOM 722 CD2 TYR A 141 1.788 -0.920 0.371 1.00 1.87 C ATOM 723 CE1 TYR A 141 0.684 -0.148 -2.110 1.00 2.12 C ATOM 724 CE2 TYR A 141 2.634 -0.620 -0.699 1.00 1.86 C ATOM 725 CZ TYR A 141 2.082 -0.291 -1.954 1.00 0.47 C ATOM 726 OH TYR A 141 2.899 -0.240 -3.033 1.00 0.56 O ATOM 0 H TYR A 141 -2.654 -2.420 0.281 1.00 0.31 H new ATOM 0 HA TYR A 141 -0.031 -3.387 1.173 1.00 0.30 H new ATOM 0 HB2 TYR A 141 -1.385 -0.636 1.338 1.00 0.30 H new ATOM 0 HB3 TYR A 141 0.033 -1.044 2.283 1.00 0.30 H new ATOM 0 HD1 TYR A 141 -1.231 -0.339 -1.132 1.00 2.07 H new ATOM 0 HD2 TYR A 141 2.202 -1.213 1.324 1.00 1.87 H new ATOM 0 HE1 TYR A 141 0.270 0.176 -3.053 1.00 2.12 H new ATOM 0 HE2 TYR A 141 3.706 -0.640 -0.566 1.00 1.86 H new ATOM 0 HH TYR A 141 2.858 0.654 -3.433 1.00 0.56 H new ATOM 736 N LYS A 142 -0.768 -3.365 3.672 1.00 0.38 N ATOM 737 CA LYS A 142 -1.293 -3.641 4.999 1.00 0.33 C ATOM 738 C LYS A 142 -0.438 -3.101 6.146 1.00 0.36 C ATOM 739 O LYS A 142 0.762 -2.830 6.022 1.00 0.42 O ATOM 740 CB LYS A 142 -1.521 -5.155 5.128 1.00 0.39 C ATOM 741 CG LYS A 142 -2.717 -5.435 6.038 1.00 0.39 C ATOM 742 CD LYS A 142 -2.381 -6.003 7.406 1.00 1.07 C ATOM 743 CE LYS A 142 -3.545 -5.559 8.289 1.00 1.41 C ATOM 744 NZ LYS A 142 -3.385 -6.027 9.678 1.00 2.59 N ATOM 0 H LYS A 142 0.245 -3.458 3.596 1.00 0.38 H new ATOM 0 HA LYS A 142 -2.235 -3.101 5.095 1.00 0.33 H new ATOM 0 HB2 LYS A 142 -1.695 -5.589 4.143 1.00 0.39 H new ATOM 0 HB3 LYS A 142 -0.628 -5.631 5.533 1.00 0.39 H new ATOM 0 HG2 LYS A 142 -3.271 -4.507 6.176 1.00 0.39 H new ATOM 0 HG3 LYS A 142 -3.383 -6.131 5.529 1.00 0.39 H new ATOM 0 HD2 LYS A 142 -2.295 -7.089 7.377 1.00 1.07 H new ATOM 0 HD3 LYS A 142 -1.431 -5.618 7.775 1.00 1.07 H new ATOM 0 HE2 LYS A 142 -3.616 -4.471 8.277 1.00 1.41 H new ATOM 0 HE3 LYS A 142 -4.479 -5.944 7.880 1.00 1.41 H new ATOM 0 HZ1 LYS A 142 -4.168 -5.664 10.259 1.00 2.59 H new ATOM 0 HZ2 LYS A 142 -3.393 -7.067 9.697 1.00 2.59 H new ATOM 0 HZ3 LYS A 142 -2.481 -5.681 10.059 1.00 2.59 H new ATOM 758 N LEU A 143 -1.112 -2.931 7.284 1.00 0.42 N ATOM 759 CA LEU A 143 -0.518 -2.387 8.496 1.00 0.38 C ATOM 760 C LEU A 143 -0.376 -3.413 9.607 1.00 0.45 C ATOM 761 O LEU A 143 -1.252 -4.247 9.833 1.00 0.64 O ATOM 762 CB LEU A 143 -1.369 -1.207 8.932 1.00 0.41 C ATOM 763 CG LEU A 143 -0.762 -0.426 10.103 1.00 0.53 C ATOM 764 CD1 LEU A 143 -1.160 1.021 9.873 1.00 0.39 C ATOM 765 CD2 LEU A 143 -1.257 -0.879 11.480 1.00 0.87 C ATOM 0 H LEU A 143 -2.098 -3.172 7.387 1.00 0.42 H new ATOM 0 HA LEU A 143 0.502 -2.070 8.280 1.00 0.38 H new ATOM 0 HB2 LEU A 143 -1.506 -0.533 8.086 1.00 0.41 H new ATOM 0 HB3 LEU A 143 -2.358 -1.566 9.217 1.00 0.41 H new ATOM 0 HG LEU A 143 0.316 -0.588 10.121 1.00 0.53 H new ATOM 0 HD11 LEU A 143 -0.759 1.641 10.675 1.00 0.39 H new ATOM 0 HD12 LEU A 143 -0.760 1.361 8.918 1.00 0.39 H new ATOM 0 HD13 LEU A 143 -2.247 1.102 9.861 1.00 0.39 H new ATOM 0 HD21 LEU A 143 -0.780 -0.277 12.254 1.00 0.87 H new ATOM 0 HD22 LEU A 143 -2.338 -0.754 11.537 1.00 0.87 H new ATOM 0 HD23 LEU A 143 -1.005 -1.929 11.630 1.00 0.87 H new ATOM 777 N ASN A 144 0.740 -3.322 10.318 1.00 0.52 N ATOM 778 CA ASN A 144 1.099 -4.300 11.348 1.00 0.61 C ATOM 779 C ASN A 144 0.806 -3.843 12.805 1.00 0.66 C ATOM 780 O ASN A 144 0.740 -2.654 13.074 1.00 0.68 O ATOM 781 CB ASN A 144 2.549 -4.785 11.112 1.00 0.65 C ATOM 782 CG ASN A 144 3.582 -3.697 10.869 1.00 0.93 C ATOM 783 OD1 ASN A 144 3.394 -2.543 11.209 1.00 1.45 O ATOM 784 ND2 ASN A 144 4.704 -4.058 10.274 1.00 0.94 N ATOM 0 H ASN A 144 1.422 -2.573 10.201 1.00 0.52 H new ATOM 0 HA ASN A 144 0.433 -5.156 11.240 1.00 0.61 H new ATOM 0 HB2 ASN A 144 2.862 -5.369 11.978 1.00 0.65 H new ATOM 0 HB3 ASN A 144 2.551 -5.459 10.255 1.00 0.65 H new ATOM 0 HD21 ASN A 144 5.431 -3.366 10.092 1.00 0.94 H new ATOM 0 HD22 ASN A 144 4.844 -5.029 9.996 1.00 0.94 H new ATOM 791 N PRO A 145 0.624 -4.788 13.760 1.00 0.82 N ATOM 792 CA PRO A 145 0.244 -4.547 15.171 1.00 0.97 C ATOM 793 C PRO A 145 1.383 -4.099 16.096 1.00 1.01 C ATOM 794 O PRO A 145 1.177 -3.908 17.292 1.00 1.40 O ATOM 795 CB PRO A 145 -0.204 -5.917 15.680 1.00 1.16 C ATOM 796 CG PRO A 145 0.767 -6.827 14.942 1.00 1.13 C ATOM 797 CD PRO A 145 0.691 -6.228 13.548 1.00 0.97 C ATOM 0 HA PRO A 145 -0.494 -3.745 15.189 1.00 0.97 H new ATOM 0 HB2 PRO A 145 -0.112 -6.006 16.762 1.00 1.16 H new ATOM 0 HB3 PRO A 145 -1.243 -6.131 15.430 1.00 1.16 H new ATOM 0 HG2 PRO A 145 1.774 -6.786 15.358 1.00 1.13 H new ATOM 0 HG3 PRO A 145 0.456 -7.871 14.963 1.00 1.13 H new ATOM 0 HD2 PRO A 145 1.563 -6.499 12.954 1.00 0.97 H new ATOM 0 HD3 PRO A 145 -0.186 -6.589 13.010 1.00 0.97 H new ATOM 805 N VAL A 146 2.590 -4.064 15.549 1.00 0.84 N ATOM 806 CA VAL A 146 3.851 -3.604 16.136 1.00 0.88 C ATOM 807 C VAL A 146 3.664 -2.326 16.983 1.00 1.15 C ATOM 808 O VAL A 146 2.793 -1.516 16.686 1.00 1.78 O ATOM 809 CB VAL A 146 4.889 -3.431 15.004 1.00 0.98 C ATOM 810 CG1 VAL A 146 4.512 -2.300 14.069 1.00 0.92 C ATOM 811 CG2 VAL A 146 6.327 -3.233 15.465 1.00 2.01 C ATOM 0 H VAL A 146 2.729 -4.387 14.592 1.00 0.84 H new ATOM 0 HA VAL A 146 4.222 -4.353 16.836 1.00 0.88 H new ATOM 0 HB VAL A 146 4.859 -4.387 14.481 1.00 0.98 H new ATOM 0 HG11 VAL A 146 5.265 -2.209 13.286 1.00 0.92 H new ATOM 0 HG12 VAL A 146 3.542 -2.509 13.617 1.00 0.92 H new ATOM 0 HG13 VAL A 146 4.457 -1.367 14.630 1.00 0.92 H new ATOM 0 HG21 VAL A 146 6.976 -3.122 14.596 1.00 2.01 H new ATOM 0 HG22 VAL A 146 6.391 -2.337 16.083 1.00 2.01 H new ATOM 0 HG23 VAL A 146 6.645 -4.098 16.047 1.00 2.01 H new ATOM 821 N GLY A 147 4.448 -2.110 18.045 1.00 1.16 N ATOM 822 CA GLY A 147 4.323 -0.920 18.862 1.00 1.34 C ATOM 823 C GLY A 147 5.419 -0.783 19.903 1.00 1.51 C ATOM 824 O GLY A 147 6.463 -1.427 19.863 1.00 1.64 O ATOM 0 H GLY A 147 5.177 -2.754 18.352 1.00 1.16 H new ATOM 0 HA2 GLY A 147 4.335 -0.042 18.216 1.00 1.34 H new ATOM 0 HA3 GLY A 147 3.356 -0.933 19.364 1.00 1.34 H new