USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 795 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 102 GLN : amide:sc= 0.0843 X(o=-0.077,f=-0.15) USER MOD Set 1.2: A 119 HIS :FLIP no HD1:sc= -0.161 F(o=-1.4,f=-0.077) USER MOD Set 2.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 115 SER OG : rot 180:sc= 0.0426 USER MOD Set 3.1: A 98 THR OG1 : rot -134:sc= 1.3 USER MOD Set 3.2: A 127 SER OG : rot 36:sc= 1.72 USER MOD Set 4.1: A 91 SER OG : rot 180:sc= -0.834 USER MOD Set 4.2: A 131 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 61 SER OG : rot -74:sc= 0.0791 USER MOD Set 5.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 62 GLN : amide:sc= -0.461! C(o=-1.1!,f=-8.8!) USER MOD Set 6.2: A 120 SER OG : rot 160:sc= -0.0714 USER MOD Set 6.3: A 122 ASN : amide:sc= -0.539 K(o=-1.1,f=-6.4!) USER MOD Set 7.1: A 41 ASN : amide:sc= 0.462 X(o=0.91,f=0.59) USER MOD Set 7.2: A 42 SER OG : rot 180:sc= 0.451 USER MOD Set 8.1: A 38 THR OG1 : rot 82:sc= 2.12 USER MOD Set 8.2: A 40 SER OG : rot 164:sc= 1.81 USER MOD Set 8.3: A 47 GLN : amide:sc= 0.354 K(o=4.3,f=2.2) USER MOD Single : A 27 SER OG : rot 3:sc= 1.2 USER MOD Single : A 29 TYR OH : rot 58:sc= 0.419 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.914 F(o=-5.5!,f=-0.91) USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0807 (180deg=-0.521) USER MOD Single : A 45 GLN : amide:sc= -0.399 K(o=-0.4,f=-2.5) USER MOD Single : A 51 TYR OH : rot 76:sc= 0.0933 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.63) USER MOD Single : A 58 MET CE :methyl 147:sc= -1.5! (180deg=-2.58!) USER MOD Single : A 63 SER OG : rot 84:sc= 1.86 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 0.436 (180deg=0.108) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 76 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.082) USER MOD Single : A 78 SER OG : rot 97:sc= 1.23 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.148 F(o=-1.3,f=-0.15) USER MOD Single : A 85 ASN : amide:sc= -0.062 K(o=-0.062,f=-1.8!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -133:sc= 1.17 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.2!) USER MOD Single : A 116 ASN : amide:sc=-0.00477 K(o=-0.0048,f=-0.7) USER MOD Single : A 118 SER OG : rot -110:sc= 0 USER MOD Single : A 124 MET CE :methyl -159:sc= -0.166 (180deg=-0.796) USER MOD Single : A 126 HIS : no HE2:sc= -1.71! C(o=-1.7!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.027 -1.416 11.124 1.00 0.00 N ATOM 24 CA LEU A 26 -6.788 -0.676 10.949 1.00 0.00 C ATOM 25 C LEU A 26 -6.859 0.180 9.695 1.00 0.00 C ATOM 26 O LEU A 26 -6.746 -0.330 8.586 1.00 0.00 O ATOM 27 CB LEU A 26 -5.604 -1.645 10.838 1.00 0.00 C ATOM 28 CG LEU A 26 -5.316 -2.487 12.081 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.220 -3.498 11.792 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.914 -1.603 13.247 1.00 0.00 C ATOM 0 HA LEU A 26 -6.646 -0.031 11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.787 -2.318 10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.710 -1.071 10.596 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.227 -3.021 12.349 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.026 -4.090 12.686 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.536 -4.156 10.983 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.310 -2.974 11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.714 -2.223 14.121 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.016 -1.042 12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.723 -0.908 13.473 1.00 0.00 H new ATOM 42 N SER A 27 -7.043 1.472 9.859 1.00 0.00 N ATOM 43 CA SER A 27 -7.106 2.360 8.713 1.00 0.00 C ATOM 44 C SER A 27 -5.794 3.113 8.582 1.00 0.00 C ATOM 45 O SER A 27 -5.118 3.369 9.578 1.00 0.00 O ATOM 46 CB SER A 27 -8.281 3.334 8.850 1.00 0.00 C ATOM 47 OG SER A 27 -8.231 4.058 10.072 1.00 0.00 O ATOM 0 H SER A 27 -7.151 1.930 10.764 1.00 0.00 H new ATOM 0 HA SER A 27 -7.266 1.769 7.811 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.272 4.033 8.014 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.219 2.781 8.794 1.00 0.00 H new ATOM 0 HG SER A 27 -7.421 3.812 10.565 1.00 0.00 H new ATOM 53 N TRP A 28 -5.426 3.474 7.360 1.00 0.00 N ATOM 54 CA TRP A 28 -4.176 4.195 7.141 1.00 0.00 C ATOM 55 C TRP A 28 -4.293 5.663 7.561 1.00 0.00 C ATOM 56 O TRP A 28 -3.541 6.518 7.099 1.00 0.00 O ATOM 57 CB TRP A 28 -3.700 4.069 5.683 1.00 0.00 C ATOM 58 CG TRP A 28 -4.678 4.531 4.635 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.747 5.366 4.796 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.647 4.188 3.244 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.388 5.550 3.595 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.730 4.841 2.628 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.808 3.389 2.460 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.997 4.719 1.269 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.073 3.272 1.108 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.159 3.934 0.525 1.00 0.00 C ATOM 0 H TRP A 28 -5.965 3.284 6.515 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.420 3.731 7.775 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.778 4.640 5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.454 3.025 5.489 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.045 5.816 5.731 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.219 6.122 3.448 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.969 2.873 2.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.836 5.226 0.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.431 2.660 0.492 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.340 3.823 -0.534 1.00 0.00 H new ATOM 77 N TYR A 29 -5.252 5.939 8.441 1.00 0.00 N ATOM 78 CA TYR A 29 -5.406 7.257 9.034 1.00 0.00 C ATOM 79 C TYR A 29 -5.033 7.208 10.512 1.00 0.00 C ATOM 80 O TYR A 29 -4.836 8.244 11.148 1.00 0.00 O ATOM 81 CB TYR A 29 -6.843 7.759 8.880 1.00 0.00 C ATOM 82 CG TYR A 29 -7.270 7.947 7.443 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.759 8.987 6.677 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.177 7.078 6.848 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.140 9.158 5.361 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.560 7.242 5.530 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.040 8.283 4.794 1.00 0.00 C ATOM 88 OH TYR A 29 -8.410 8.444 3.481 1.00 0.00 O ATOM 0 H TYR A 29 -5.939 5.256 8.760 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.741 7.947 8.514 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.519 7.052 9.361 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.946 8.707 9.407 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.052 9.674 7.118 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.589 6.262 7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.735 9.973 4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.263 6.557 5.080 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.613 8.418 2.911 1.00 0.00 H new ATOM 98 N ASP A 30 -4.934 5.995 11.052 1.00 0.00 N ATOM 99 CA ASP A 30 -4.601 5.812 12.459 1.00 0.00 C ATOM 100 C ASP A 30 -3.132 6.130 12.687 1.00 0.00 C ATOM 101 O ASP A 30 -2.267 5.686 11.936 1.00 0.00 O ATOM 102 CB ASP A 30 -4.893 4.377 12.920 1.00 0.00 C ATOM 103 CG ASP A 30 -6.364 4.007 12.851 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.154 4.525 13.666 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.737 3.184 11.989 1.00 0.00 O ATOM 0 H ASP A 30 -5.080 5.127 10.536 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.222 6.492 13.043 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.322 3.682 12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.543 4.255 13.945 1.00 0.00 H new ATOM 110 N PRO A 31 -2.834 6.903 13.737 1.00 0.00 N ATOM 111 CA PRO A 31 -1.468 7.338 14.041 1.00 0.00 C ATOM 112 C PRO A 31 -0.586 6.190 14.524 1.00 0.00 C ATOM 113 O PRO A 31 0.638 6.310 14.579 1.00 0.00 O ATOM 114 CB PRO A 31 -1.668 8.371 15.151 1.00 0.00 C ATOM 115 CG PRO A 31 -2.951 7.990 15.800 1.00 0.00 C ATOM 116 CD PRO A 31 -3.812 7.406 14.716 1.00 0.00 C ATOM 0 HA PRO A 31 -0.957 7.731 13.162 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.843 8.350 15.863 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.715 9.382 14.746 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.784 7.266 16.597 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.431 8.858 16.253 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.448 6.606 15.095 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.470 8.156 14.278 1.00 0.00 H new ATOM 124 N ASP A 32 -1.219 5.079 14.868 1.00 0.00 N ATOM 125 CA ASP A 32 -0.503 3.899 15.338 1.00 0.00 C ATOM 126 C ASP A 32 -0.483 2.813 14.265 1.00 0.00 C ATOM 127 O ASP A 32 -0.170 1.652 14.547 1.00 0.00 O ATOM 128 CB ASP A 32 -1.143 3.361 16.619 1.00 0.00 C ATOM 129 CG ASP A 32 -2.591 2.958 16.425 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.459 3.854 16.397 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.865 1.745 16.308 1.00 0.00 O ATOM 0 H ASP A 32 -2.232 4.968 14.831 1.00 0.00 H new ATOM 0 HA ASP A 32 0.525 4.190 15.553 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.574 2.500 16.970 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.083 4.122 17.397 1.00 0.00 H new ATOM 136 N PHE A 33 -0.817 3.194 13.037 1.00 0.00 N ATOM 137 CA PHE A 33 -0.782 2.265 11.918 1.00 0.00 C ATOM 138 C PHE A 33 0.653 2.114 11.423 1.00 0.00 C ATOM 139 O PHE A 33 1.294 3.090 11.038 1.00 0.00 O ATOM 140 CB PHE A 33 -1.701 2.752 10.788 1.00 0.00 C ATOM 141 CG PHE A 33 -1.803 1.806 9.625 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.387 0.559 9.777 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.325 2.169 8.376 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.494 -0.307 8.707 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.428 1.307 7.302 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.012 0.068 7.468 1.00 0.00 C ATOM 0 H PHE A 33 -1.114 4.139 12.793 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.144 1.291 12.249 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.699 2.920 11.193 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.337 3.714 10.428 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.763 0.261 10.744 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.866 3.137 8.241 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.954 -1.275 8.838 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.052 1.602 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.092 -0.608 6.630 1.00 0.00 H new ATOM 156 N GLN A 34 1.158 0.890 11.452 1.00 0.00 N ATOM 157 CA GLN A 34 2.544 0.632 11.094 1.00 0.00 C ATOM 158 C GLN A 34 2.666 0.350 9.603 1.00 0.00 C ATOM 159 O GLN A 34 2.266 -0.716 9.130 1.00 0.00 O ATOM 160 CB GLN A 34 3.091 -0.548 11.900 1.00 0.00 C ATOM 161 CG GLN A 34 2.983 -0.376 13.412 1.00 0.00 C ATOM 162 CD GLN A 34 3.959 0.639 13.996 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.318 1.662 13.237 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 4.389 0.499 15.137 1.00 0.00 N flip ATOM 0 H GLN A 34 0.629 0.060 11.720 1.00 0.00 H new ATOM 0 HA GLN A 34 3.131 1.520 11.329 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.555 -1.452 11.609 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.138 -0.699 11.637 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.967 -0.070 13.660 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.151 -1.341 13.889 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.094 -0.300 15.699 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.041 1.182 15.524 1.00 0.00 H new ATOM 173 N ALA A 35 3.214 1.307 8.872 1.00 0.00 N ATOM 174 CA ALA A 35 3.370 1.173 7.432 1.00 0.00 C ATOM 175 C ALA A 35 4.542 1.999 6.936 1.00 0.00 C ATOM 176 O ALA A 35 4.929 2.986 7.563 1.00 0.00 O ATOM 177 CB ALA A 35 2.098 1.603 6.716 1.00 0.00 C ATOM 0 H ALA A 35 3.559 2.188 9.253 1.00 0.00 H new ATOM 0 HA ALA A 35 3.565 0.123 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.233 1.496 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.268 0.977 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.881 2.645 6.953 1.00 0.00 H new ATOM 183 N ARG A 36 5.105 1.591 5.814 1.00 0.00 N ATOM 184 CA ARG A 36 6.195 2.320 5.197 1.00 0.00 C ATOM 185 C ARG A 36 6.235 2.020 3.707 1.00 0.00 C ATOM 186 O ARG A 36 5.573 1.097 3.232 1.00 0.00 O ATOM 187 CB ARG A 36 7.535 1.930 5.826 1.00 0.00 C ATOM 188 CG ARG A 36 8.000 0.529 5.459 1.00 0.00 C ATOM 189 CD ARG A 36 9.451 0.316 5.849 1.00 0.00 C ATOM 190 NE ARG A 36 10.334 1.305 5.230 1.00 0.00 N ATOM 191 CZ ARG A 36 11.595 1.066 4.894 1.00 0.00 C ATOM 192 NH1 ARG A 36 12.114 -0.142 5.055 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.339 2.034 4.388 1.00 0.00 N ATOM 0 H ARG A 36 4.822 0.751 5.309 1.00 0.00 H new ATOM 0 HA ARG A 36 6.028 3.385 5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.294 2.648 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.452 2.003 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.373 -0.209 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.881 0.372 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.547 0.372 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.763 -0.685 5.552 1.00 0.00 H new ATOM 0 HE ARG A 36 9.957 2.235 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.543 -0.895 5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.084 -0.319 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.944 2.965 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.308 1.850 4.130 1.00 0.00 H new ATOM 206 N LEU A 37 7.002 2.806 2.983 1.00 0.00 N ATOM 207 CA LEU A 37 7.258 2.539 1.584 1.00 0.00 C ATOM 208 C LEU A 37 8.588 1.820 1.459 1.00 0.00 C ATOM 209 O LEU A 37 9.588 2.251 2.044 1.00 0.00 O ATOM 210 CB LEU A 37 7.257 3.845 0.790 1.00 0.00 C ATOM 211 CG LEU A 37 5.919 4.585 0.799 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.050 5.941 0.131 1.00 0.00 C ATOM 213 CD2 LEU A 37 4.853 3.750 0.106 1.00 0.00 C ATOM 0 H LEU A 37 7.463 3.642 3.344 1.00 0.00 H new ATOM 0 HA LEU A 37 6.473 1.904 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.026 4.503 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.533 3.629 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 37 5.620 4.745 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.086 6.450 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.787 6.540 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.371 5.808 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.905 4.287 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.151 3.564 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.739 2.800 0.628 1.00 0.00 H new ATOM 225 N THR A 38 8.580 0.711 0.735 1.00 0.00 N ATOM 226 CA THR A 38 9.752 -0.142 0.613 1.00 0.00 C ATOM 227 C THR A 38 10.925 0.597 -0.016 1.00 0.00 C ATOM 228 O THR A 38 10.755 1.570 -0.756 1.00 0.00 O ATOM 229 CB THR A 38 9.442 -1.399 -0.222 1.00 0.00 C ATOM 230 OG1 THR A 38 8.916 -1.023 -1.497 1.00 0.00 O ATOM 231 CG2 THR A 38 8.449 -2.299 0.497 1.00 0.00 C ATOM 0 H THR A 38 7.766 0.379 0.218 1.00 0.00 H new ATOM 0 HA THR A 38 10.027 -0.439 1.625 1.00 0.00 H new ATOM 0 HB THR A 38 10.371 -1.951 -0.361 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.653 -0.793 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.247 -3.179 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.867 -2.610 1.455 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.520 -1.754 0.666 1.00 0.00 H new ATOM 239 N ARG A 39 12.116 0.099 0.267 1.00 0.00 N ATOM 240 CA ARG A 39 13.362 0.703 -0.187 1.00 0.00 C ATOM 241 C ARG A 39 13.650 0.335 -1.645 1.00 0.00 C ATOM 242 O ARG A 39 14.784 0.018 -2.006 1.00 0.00 O ATOM 243 CB ARG A 39 14.525 0.253 0.719 1.00 0.00 C ATOM 244 CG ARG A 39 14.501 -1.235 1.061 1.00 0.00 C ATOM 245 CD ARG A 39 13.568 -1.531 2.234 1.00 0.00 C ATOM 246 NE ARG A 39 12.918 -2.836 2.114 1.00 0.00 N ATOM 247 CZ ARG A 39 11.718 -3.121 2.629 1.00 0.00 C ATOM 248 NH1 ARG A 39 11.045 -2.193 3.297 1.00 0.00 N ATOM 249 NH2 ARG A 39 11.188 -4.322 2.473 1.00 0.00 N ATOM 0 H ARG A 39 12.249 -0.745 0.824 1.00 0.00 H new ATOM 0 HA ARG A 39 13.262 1.787 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.469 0.488 0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.496 0.829 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.180 -1.804 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.510 -1.568 1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.135 -1.495 3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.807 -0.753 2.295 1.00 0.00 H new ATOM 0 HE ARG A 39 13.410 -3.572 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.443 -1.262 3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.129 -2.411 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.695 -5.040 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.272 -4.530 2.870 1.00 0.00 H new ATOM 262 N SER A 40 12.616 0.395 -2.471 1.00 0.00 N ATOM 263 CA SER A 40 12.711 0.009 -3.871 1.00 0.00 C ATOM 264 C SER A 40 13.579 0.984 -4.666 1.00 0.00 C ATOM 265 O SER A 40 14.679 0.642 -5.105 1.00 0.00 O ATOM 266 CB SER A 40 11.311 -0.042 -4.478 1.00 0.00 C ATOM 267 OG SER A 40 10.445 -0.826 -3.683 1.00 0.00 O ATOM 0 H SER A 40 11.688 0.712 -2.190 1.00 0.00 H new ATOM 0 HA SER A 40 13.179 -0.974 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.913 0.969 -4.569 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.362 -0.456 -5.485 1.00 0.00 H new ATOM 0 HG SER A 40 9.515 -0.640 -3.931 1.00 0.00 H new ATOM 273 N ASN A 41 13.081 2.199 -4.841 1.00 0.00 N ATOM 274 CA ASN A 41 13.769 3.195 -5.649 1.00 0.00 C ATOM 275 C ASN A 41 14.179 4.377 -4.793 1.00 0.00 C ATOM 276 O ASN A 41 15.344 4.772 -4.770 1.00 0.00 O ATOM 277 CB ASN A 41 12.869 3.665 -6.795 1.00 0.00 C ATOM 278 CG ASN A 41 13.583 4.606 -7.743 1.00 0.00 C ATOM 279 OD1 ASN A 41 14.220 4.168 -8.700 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.484 5.901 -7.492 1.00 0.00 N ATOM 0 H ASN A 41 12.202 2.519 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 41 14.665 2.739 -6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.510 2.798 -7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.992 4.165 -6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.945 6.576 -8.102 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.946 6.225 -6.688 1.00 0.00 H new ATOM 287 N SER A 42 13.213 4.925 -4.082 1.00 0.00 N ATOM 288 CA SER A 42 13.448 6.050 -3.206 1.00 0.00 C ATOM 289 C SER A 42 12.864 5.736 -1.838 1.00 0.00 C ATOM 290 O SER A 42 11.934 4.938 -1.722 1.00 0.00 O ATOM 291 CB SER A 42 12.804 7.302 -3.799 1.00 0.00 C ATOM 292 OG SER A 42 13.200 7.489 -5.148 1.00 0.00 O ATOM 0 H SER A 42 12.246 4.602 -4.097 1.00 0.00 H new ATOM 0 HA SER A 42 14.517 6.233 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.719 7.218 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.086 8.174 -3.209 1.00 0.00 H new ATOM 0 HG SER A 42 12.773 8.296 -5.505 1.00 0.00 H new ATOM 298 N LYS A 43 13.418 6.359 -0.806 1.00 0.00 N ATOM 299 CA LYS A 43 13.040 6.057 0.570 1.00 0.00 C ATOM 300 C LYS A 43 11.604 6.473 0.878 1.00 0.00 C ATOM 301 O LYS A 43 11.065 6.122 1.928 1.00 0.00 O ATOM 302 CB LYS A 43 14.028 6.699 1.559 1.00 0.00 C ATOM 303 CG LYS A 43 14.335 8.175 1.312 1.00 0.00 C ATOM 304 CD LYS A 43 13.214 9.090 1.780 1.00 0.00 C ATOM 305 CE LYS A 43 13.581 10.553 1.593 1.00 0.00 C ATOM 306 NZ LYS A 43 14.833 10.898 2.321 1.00 0.00 N ATOM 0 H LYS A 43 14.134 7.080 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 43 13.087 4.975 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.628 6.592 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.963 6.140 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.257 8.442 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.508 8.333 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.304 8.867 1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.000 8.898 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.706 10.765 0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.766 11.182 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.888 11.929 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.833 10.434 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.654 10.573 1.772 1.00 0.00 H new ATOM 319 N CYS A 44 10.996 7.225 -0.027 1.00 0.00 N ATOM 320 CA CYS A 44 9.598 7.596 0.107 1.00 0.00 C ATOM 321 C CYS A 44 8.864 7.350 -1.213 1.00 0.00 C ATOM 322 O CYS A 44 7.880 8.024 -1.540 1.00 0.00 O ATOM 323 CB CYS A 44 9.493 9.061 0.531 1.00 0.00 C ATOM 324 SG CYS A 44 7.872 9.553 1.199 1.00 0.00 S ATOM 0 H CYS A 44 11.451 7.590 -0.863 1.00 0.00 H new ATOM 0 HA CYS A 44 9.129 6.981 0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.256 9.262 1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.721 9.690 -0.329 1.00 0.00 H new ATOM 329 N GLN A 45 9.360 6.378 -1.977 1.00 0.00 N ATOM 330 CA GLN A 45 8.733 5.978 -3.234 1.00 0.00 C ATOM 331 C GLN A 45 8.932 4.483 -3.453 1.00 0.00 C ATOM 332 O GLN A 45 10.024 4.045 -3.829 1.00 0.00 O ATOM 333 CB GLN A 45 9.326 6.730 -4.432 1.00 0.00 C ATOM 334 CG GLN A 45 9.498 8.227 -4.234 1.00 0.00 C ATOM 335 CD GLN A 45 9.892 8.931 -5.514 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.507 8.514 -6.606 1.00 0.00 O ATOM 337 NE2 GLN A 45 10.673 9.991 -5.397 1.00 0.00 N ATOM 0 H GLN A 45 10.201 5.850 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 45 7.673 6.221 -3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.298 6.297 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.685 6.565 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.567 8.652 -3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.258 8.406 -3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.971 10.306 -4.474 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.978 10.494 -6.230 1.00 0.00 H new ATOM 346 N GLY A 46 7.889 3.703 -3.223 1.00 0.00 N ATOM 347 CA GLY A 46 8.001 2.268 -3.375 1.00 0.00 C ATOM 348 C GLY A 46 6.695 1.558 -3.088 1.00 0.00 C ATOM 349 O GLY A 46 5.617 2.136 -3.254 1.00 0.00 O ATOM 0 H GLY A 46 6.969 4.036 -2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.323 2.036 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.772 1.892 -2.702 1.00 0.00 H new ATOM 353 N GLN A 47 6.791 0.312 -2.649 1.00 0.00 N ATOM 354 CA GLN A 47 5.616 -0.486 -2.350 1.00 0.00 C ATOM 355 C GLN A 47 5.112 -0.162 -0.957 1.00 0.00 C ATOM 356 O GLN A 47 5.903 0.100 -0.047 1.00 0.00 O ATOM 357 CB GLN A 47 5.926 -1.986 -2.431 1.00 0.00 C ATOM 358 CG GLN A 47 6.322 -2.491 -3.812 1.00 0.00 C ATOM 359 CD GLN A 47 7.758 -2.191 -4.185 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.059 -1.166 -4.793 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.663 -3.080 -3.807 1.00 0.00 N ATOM 0 H GLN A 47 7.677 -0.169 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 47 4.853 -0.245 -3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.732 -2.213 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.050 -2.541 -2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.163 -3.569 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.662 -2.043 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.375 -3.919 -3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.649 -2.926 -4.019 1.00 0.00 H new ATOM 370 N LEU A 48 3.801 -0.166 -0.792 1.00 0.00 N ATOM 371 CA LEU A 48 3.208 0.018 0.519 1.00 0.00 C ATOM 372 C LEU A 48 3.372 -1.253 1.343 1.00 0.00 C ATOM 373 O LEU A 48 2.657 -2.238 1.144 1.00 0.00 O ATOM 374 CB LEU A 48 1.727 0.390 0.405 1.00 0.00 C ATOM 375 CG LEU A 48 1.035 0.725 1.734 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.661 1.954 2.382 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.455 0.939 1.517 1.00 0.00 C ATOM 0 H LEU A 48 3.129 -0.294 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 48 3.723 0.838 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.634 1.248 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.196 -0.438 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 48 1.172 -0.119 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.152 2.169 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.717 1.765 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.563 2.808 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.931 1.176 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.607 1.764 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.897 0.031 1.106 1.00 0.00 H new ATOM 389 N GLU A 49 4.337 -1.224 2.244 1.00 0.00 N ATOM 390 CA GLU A 49 4.614 -2.351 3.118 1.00 0.00 C ATOM 391 C GLU A 49 4.031 -2.058 4.492 1.00 0.00 C ATOM 392 O GLU A 49 4.356 -1.042 5.109 1.00 0.00 O ATOM 393 CB GLU A 49 6.126 -2.590 3.204 1.00 0.00 C ATOM 394 CG GLU A 49 6.516 -3.947 3.770 1.00 0.00 C ATOM 395 CD GLU A 49 8.019 -4.170 3.757 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.759 -3.331 4.316 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.469 -5.191 3.187 1.00 0.00 O ATOM 0 H GLU A 49 4.949 -0.422 2.391 1.00 0.00 H new ATOM 0 HA GLU A 49 4.155 -3.256 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.555 -2.489 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.570 -1.810 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.148 -4.030 4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.030 -4.732 3.191 1.00 0.00 H new ATOM 404 N VAL A 50 3.155 -2.929 4.961 1.00 0.00 N ATOM 405 CA VAL A 50 2.423 -2.671 6.191 1.00 0.00 C ATOM 406 C VAL A 50 2.609 -3.794 7.201 1.00 0.00 C ATOM 407 O VAL A 50 2.823 -4.950 6.830 1.00 0.00 O ATOM 408 CB VAL A 50 0.910 -2.480 5.920 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.666 -1.288 5.006 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.296 -3.739 5.322 1.00 0.00 C ATOM 0 H VAL A 50 2.933 -3.818 4.512 1.00 0.00 H new ATOM 0 HA VAL A 50 2.832 -1.750 6.606 1.00 0.00 H new ATOM 0 HB VAL A 50 0.426 -2.285 6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.404 -1.176 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.054 -0.384 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.174 -1.449 4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.767 -3.576 5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.791 -3.973 4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.423 -4.570 6.015 1.00 0.00 H new ATOM 420 N TYR A 51 2.538 -3.442 8.478 1.00 0.00 N ATOM 421 CA TYR A 51 2.579 -4.427 9.545 1.00 0.00 C ATOM 422 C TYR A 51 1.190 -4.547 10.149 1.00 0.00 C ATOM 423 O TYR A 51 0.737 -3.650 10.862 1.00 0.00 O ATOM 424 CB TYR A 51 3.584 -4.027 10.634 1.00 0.00 C ATOM 425 CG TYR A 51 3.991 -5.177 11.537 1.00 0.00 C ATOM 426 CD1 TYR A 51 3.047 -5.869 12.288 1.00 0.00 C ATOM 427 CD2 TYR A 51 5.318 -5.585 11.623 1.00 0.00 C ATOM 428 CE1 TYR A 51 3.410 -6.926 13.098 1.00 0.00 C ATOM 429 CE2 TYR A 51 5.688 -6.646 12.428 1.00 0.00 C ATOM 430 CZ TYR A 51 4.731 -7.312 13.164 1.00 0.00 C ATOM 431 OH TYR A 51 5.090 -8.378 13.959 1.00 0.00 O ATOM 0 H TYR A 51 2.451 -2.478 8.798 1.00 0.00 H new ATOM 0 HA TYR A 51 2.899 -5.383 9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.475 -3.615 10.161 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.151 -3.234 11.243 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.009 -5.574 12.236 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.072 -5.064 11.051 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.662 -7.448 13.677 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.722 -6.952 12.480 1.00 0.00 H new ATOM 0 HH TYR A 51 4.839 -9.215 13.516 1.00 0.00 H new ATOM 441 N LEU A 52 0.509 -5.638 9.851 1.00 0.00 N ATOM 442 CA LEU A 52 -0.843 -5.832 10.348 1.00 0.00 C ATOM 443 C LEU A 52 -0.858 -6.779 11.542 1.00 0.00 C ATOM 444 O LEU A 52 -0.981 -6.345 12.686 1.00 0.00 O ATOM 445 CB LEU A 52 -1.761 -6.357 9.242 1.00 0.00 C ATOM 446 CG LEU A 52 -1.923 -5.435 8.032 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.836 -6.073 7.002 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.473 -4.079 8.446 1.00 0.00 C ATOM 0 H LEU A 52 0.865 -6.399 9.272 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.217 -4.862 10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.375 -7.316 8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.746 -6.545 9.669 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.938 -5.284 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.942 -5.406 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.408 -7.020 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.815 -6.253 7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.578 -3.445 7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.447 -4.210 8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.789 -3.609 9.153 1.00 0.00 H new ATOM 460 N LYS A 53 -0.714 -8.071 11.284 1.00 0.00 N ATOM 461 CA LYS A 53 -0.773 -9.055 12.351 1.00 0.00 C ATOM 462 C LYS A 53 0.463 -9.942 12.330 1.00 0.00 C ATOM 463 O LYS A 53 1.127 -10.124 13.348 1.00 0.00 O ATOM 464 CB LYS A 53 -2.041 -9.902 12.217 1.00 0.00 C ATOM 465 CG LYS A 53 -2.317 -10.776 13.430 1.00 0.00 C ATOM 466 CD LYS A 53 -2.537 -9.942 14.682 1.00 0.00 C ATOM 467 CE LYS A 53 -3.770 -9.061 14.562 1.00 0.00 C ATOM 468 NZ LYS A 53 -3.992 -8.242 15.782 1.00 0.00 N ATOM 0 H LYS A 53 -0.557 -8.458 10.353 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.801 -8.531 13.306 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.893 -9.243 12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.954 -10.536 11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.197 -11.392 13.243 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.480 -11.456 13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.643 -10.601 15.544 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.661 -9.319 14.863 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.663 -8.404 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.645 -9.685 14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.843 -7.657 15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.120 -8.869 16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.169 -7.627 15.942 1.00 0.00 H new ATOM 481 N ASP A 54 0.766 -10.478 11.161 1.00 0.00 N ATOM 482 CA ASP A 54 1.930 -11.338 10.979 1.00 0.00 C ATOM 483 C ASP A 54 3.223 -10.528 11.037 1.00 0.00 C ATOM 484 O ASP A 54 3.979 -10.614 12.008 1.00 0.00 O ATOM 485 CB ASP A 54 1.818 -12.085 9.644 1.00 0.00 C ATOM 486 CG ASP A 54 1.358 -11.178 8.517 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.134 -10.998 8.363 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.214 -10.617 7.811 1.00 0.00 O ATOM 0 H ASP A 54 0.218 -10.333 10.313 1.00 0.00 H new ATOM 0 HA ASP A 54 1.958 -12.065 11.791 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.786 -12.517 9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.118 -12.913 9.751 1.00 0.00 H new ATOM 493 N GLY A 55 3.465 -9.738 10.007 1.00 0.00 N ATOM 494 CA GLY A 55 4.648 -8.914 9.958 1.00 0.00 C ATOM 495 C GLY A 55 4.547 -7.867 8.875 1.00 0.00 C ATOM 496 O GLY A 55 3.471 -7.311 8.651 1.00 0.00 O ATOM 0 H GLY A 55 2.854 -9.653 9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.795 -8.428 10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.522 -9.540 9.780 1.00 0.00 H new ATOM 500 N TRP A 56 5.654 -7.598 8.204 1.00 0.00 N ATOM 501 CA TRP A 56 5.662 -6.635 7.118 1.00 0.00 C ATOM 502 C TRP A 56 5.293 -7.313 5.807 1.00 0.00 C ATOM 503 O TRP A 56 6.082 -8.070 5.243 1.00 0.00 O ATOM 504 CB TRP A 56 7.033 -5.965 6.998 1.00 0.00 C ATOM 505 CG TRP A 56 7.345 -5.047 8.137 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.103 -5.326 9.237 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.897 -3.695 8.291 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.156 -4.232 10.063 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.422 -3.218 9.505 1.00 0.00 C ATOM 510 CE3 TRP A 56 6.099 -2.843 7.520 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.180 -1.927 9.965 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.861 -1.561 7.979 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.396 -1.114 9.190 1.00 0.00 C ATOM 0 H TRP A 56 6.557 -8.033 8.392 1.00 0.00 H new ATOM 0 HA TRP A 56 4.921 -5.867 7.338 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.802 -6.735 6.940 1.00 0.00 H new ATOM 0 HB3 TRP A 56 7.074 -5.402 6.065 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.590 -6.271 9.429 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.660 -4.181 10.948 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.677 -3.180 6.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.595 -1.579 10.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.250 -0.892 7.391 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.187 -0.108 9.521 1.00 0.00 H new ATOM 524 N HIS A 57 4.089 -7.047 5.330 1.00 0.00 N ATOM 525 CA HIS A 57 3.617 -7.634 4.087 1.00 0.00 C ATOM 526 C HIS A 57 3.316 -6.554 3.062 1.00 0.00 C ATOM 527 O HIS A 57 2.976 -5.421 3.411 1.00 0.00 O ATOM 528 CB HIS A 57 2.381 -8.507 4.324 1.00 0.00 C ATOM 529 CG HIS A 57 2.711 -9.954 4.553 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.780 -10.894 4.950 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.878 -10.626 4.405 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.362 -12.077 5.034 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.633 -11.942 4.708 1.00 0.00 N ATOM 0 H HIS A 57 3.419 -6.427 5.785 1.00 0.00 H new ATOM 0 HA HIS A 57 4.411 -8.270 3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.835 -8.125 5.187 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.716 -8.425 3.464 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.826 -10.204 4.104 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.879 -12.999 5.321 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.322 -12.694 4.685 1.00 0.00 H new ATOM 541 N MET A 58 3.449 -6.917 1.796 1.00 0.00 N ATOM 542 CA MET A 58 3.269 -5.981 0.696 1.00 0.00 C ATOM 543 C MET A 58 1.807 -5.930 0.269 1.00 0.00 C ATOM 544 O MET A 58 1.184 -6.967 0.059 1.00 0.00 O ATOM 545 CB MET A 58 4.131 -6.420 -0.489 1.00 0.00 C ATOM 546 CG MET A 58 5.617 -6.491 -0.174 1.00 0.00 C ATOM 547 SD MET A 58 6.542 -7.438 -1.401 1.00 0.00 S ATOM 548 CE MET A 58 5.958 -6.690 -2.920 1.00 0.00 C ATOM 0 H MET A 58 3.684 -7.865 1.502 1.00 0.00 H new ATOM 0 HA MET A 58 3.571 -4.987 1.027 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.794 -7.399 -0.828 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.977 -5.726 -1.315 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.022 -5.480 -0.120 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.755 -6.943 0.808 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.759 -6.694 -3.659 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.109 -7.257 -3.302 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.650 -5.663 -2.725 1.00 0.00 H new ATOM 558 N VAL A 59 1.260 -4.730 0.138 1.00 0.00 N ATOM 559 CA VAL A 59 -0.125 -4.578 -0.288 1.00 0.00 C ATOM 560 C VAL A 59 -0.237 -4.705 -1.806 1.00 0.00 C ATOM 561 O VAL A 59 0.505 -4.061 -2.551 1.00 0.00 O ATOM 562 CB VAL A 59 -0.719 -3.222 0.164 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.155 -3.073 -0.313 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.650 -3.084 1.679 1.00 0.00 C ATOM 0 H VAL A 59 1.749 -3.853 0.319 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.697 -5.376 0.186 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.123 -2.428 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.550 -2.112 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.184 -3.123 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.762 -3.877 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.072 -2.124 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.218 -3.890 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.389 -3.139 2.002 1.00 0.00 H new ATOM 574 N CYS A 60 -1.154 -5.553 -2.257 1.00 0.00 N ATOM 575 CA CYS A 60 -1.391 -5.741 -3.682 1.00 0.00 C ATOM 576 C CYS A 60 -2.406 -4.702 -4.161 1.00 0.00 C ATOM 577 O CYS A 60 -3.374 -4.401 -3.458 1.00 0.00 O ATOM 578 CB CYS A 60 -1.911 -7.162 -3.942 1.00 0.00 C ATOM 579 SG CYS A 60 -1.566 -7.805 -5.614 1.00 0.00 S ATOM 0 H CYS A 60 -1.747 -6.123 -1.654 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.459 -5.611 -4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.468 -7.836 -3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.988 -7.176 -3.777 1.00 0.00 H new ATOM 584 N SER A 61 -2.176 -4.159 -5.356 1.00 0.00 N ATOM 585 CA SER A 61 -2.963 -3.041 -5.875 1.00 0.00 C ATOM 586 C SER A 61 -4.431 -3.406 -6.098 1.00 0.00 C ATOM 587 O SER A 61 -5.284 -2.525 -6.188 1.00 0.00 O ATOM 588 CB SER A 61 -2.346 -2.541 -7.182 1.00 0.00 C ATOM 589 OG SER A 61 -2.186 -3.601 -8.112 1.00 0.00 O ATOM 0 H SER A 61 -1.443 -4.480 -5.989 1.00 0.00 H new ATOM 0 HA SER A 61 -2.941 -2.253 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.980 -1.767 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.378 -2.083 -6.979 1.00 0.00 H new ATOM 0 HG SER A 61 -1.431 -4.163 -7.840 1.00 0.00 H new ATOM 595 N GLN A 62 -4.722 -4.696 -6.177 1.00 0.00 N ATOM 596 CA GLN A 62 -6.084 -5.151 -6.418 1.00 0.00 C ATOM 597 C GLN A 62 -6.804 -5.453 -5.103 1.00 0.00 C ATOM 598 O GLN A 62 -7.484 -6.469 -4.963 1.00 0.00 O ATOM 599 CB GLN A 62 -6.086 -6.370 -7.347 1.00 0.00 C ATOM 600 CG GLN A 62 -5.198 -7.513 -6.881 1.00 0.00 C ATOM 601 CD GLN A 62 -5.117 -8.635 -7.901 1.00 0.00 C ATOM 602 OE1 GLN A 62 -4.962 -9.801 -7.548 1.00 0.00 O ATOM 603 NE2 GLN A 62 -5.210 -8.288 -9.177 1.00 0.00 N ATOM 0 H GLN A 62 -4.036 -5.444 -6.078 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.631 -4.348 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.108 -6.736 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.763 -6.056 -8.340 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.196 -7.133 -6.682 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.582 -7.908 -5.940 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.339 -7.309 -9.431 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.153 -9.000 -9.905 1.00 0.00 H new ATOM 612 N SER A 63 -6.645 -4.557 -4.141 1.00 0.00 N ATOM 613 CA SER A 63 -7.340 -4.662 -2.870 1.00 0.00 C ATOM 614 C SER A 63 -8.561 -3.746 -2.872 1.00 0.00 C ATOM 615 O SER A 63 -8.636 -2.820 -3.677 1.00 0.00 O ATOM 616 CB SER A 63 -6.399 -4.287 -1.719 1.00 0.00 C ATOM 617 OG SER A 63 -5.312 -5.195 -1.633 1.00 0.00 O ATOM 0 H SER A 63 -6.035 -3.743 -4.219 1.00 0.00 H new ATOM 0 HA SER A 63 -7.668 -5.692 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.021 -3.276 -1.868 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.951 -4.285 -0.779 1.00 0.00 H new ATOM 0 HG SER A 63 -4.609 -4.924 -2.260 1.00 0.00 H new ATOM 623 N TRP A 64 -9.515 -4.027 -1.989 1.00 0.00 N ATOM 624 CA TRP A 64 -10.724 -3.213 -1.839 1.00 0.00 C ATOM 625 C TRP A 64 -11.504 -3.121 -3.148 1.00 0.00 C ATOM 626 O TRP A 64 -12.162 -2.114 -3.426 1.00 0.00 O ATOM 627 CB TRP A 64 -10.367 -1.805 -1.348 1.00 0.00 C ATOM 628 CG TRP A 64 -9.546 -1.801 -0.096 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.933 -2.233 1.138 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.199 -1.337 0.043 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.910 -2.061 2.038 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.835 -1.515 1.390 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.265 -0.786 -0.839 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.578 -1.164 1.874 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.016 -0.440 -0.356 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.686 -0.628 0.989 1.00 0.00 C ATOM 0 H TRP A 64 -9.475 -4.825 -1.355 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.357 -3.702 -1.099 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.821 -1.282 -2.133 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.286 -1.246 -1.173 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.901 -2.649 1.373 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.946 -2.301 3.029 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.514 -0.633 -1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.317 -1.310 2.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.284 -0.018 -1.029 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.704 -0.343 1.336 1.00 0.00 H new ATOM 647 N GLY A 65 -11.416 -4.169 -3.958 1.00 0.00 N ATOM 648 CA GLY A 65 -12.120 -4.192 -5.223 1.00 0.00 C ATOM 649 C GLY A 65 -11.553 -3.211 -6.231 1.00 0.00 C ATOM 650 O GLY A 65 -12.171 -2.953 -7.263 1.00 0.00 O ATOM 0 H GLY A 65 -10.867 -5.005 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.077 -5.199 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.172 -3.963 -5.052 1.00 0.00 H new ATOM 654 N ARG A 66 -10.379 -2.655 -5.938 1.00 0.00 N ATOM 655 CA ARG A 66 -9.752 -1.700 -6.840 1.00 0.00 C ATOM 656 C ARG A 66 -9.072 -2.444 -7.978 1.00 0.00 C ATOM 657 O ARG A 66 -8.495 -3.513 -7.776 1.00 0.00 O ATOM 658 CB ARG A 66 -8.725 -0.821 -6.111 1.00 0.00 C ATOM 659 CG ARG A 66 -9.274 -0.036 -4.920 1.00 0.00 C ATOM 660 CD ARG A 66 -10.457 0.853 -5.294 1.00 0.00 C ATOM 661 NE ARG A 66 -11.735 0.147 -5.189 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.874 0.592 -5.712 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.882 1.708 -6.429 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.997 -0.082 -5.537 1.00 0.00 N ATOM 0 H ARG A 66 -9.849 -2.849 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.532 -1.048 -7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.909 -1.455 -5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.300 -0.117 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.581 -0.734 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.480 0.581 -4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.472 1.727 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.328 1.217 -6.313 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.753 -0.739 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.015 2.224 -6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.755 2.050 -6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.993 -0.948 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.868 0.264 -5.940 1.00 0.00 H new ATOM 677 N SER A 67 -9.154 -1.888 -9.170 1.00 0.00 N ATOM 678 CA SER A 67 -8.570 -2.516 -10.340 1.00 0.00 C ATOM 679 C SER A 67 -7.151 -1.996 -10.559 1.00 0.00 C ATOM 680 O SER A 67 -6.809 -0.897 -10.106 1.00 0.00 O ATOM 681 CB SER A 67 -9.443 -2.233 -11.564 1.00 0.00 C ATOM 682 OG SER A 67 -9.133 -3.104 -12.639 1.00 0.00 O ATOM 0 H SER A 67 -9.621 -1.000 -9.355 1.00 0.00 H new ATOM 0 HA SER A 67 -8.521 -3.594 -10.186 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.494 -2.345 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.303 -1.199 -11.880 1.00 0.00 H new ATOM 0 HG SER A 67 -9.710 -2.898 -13.404 1.00 0.00 H new ATOM 688 N SER A 68 -6.329 -2.796 -11.238 1.00 0.00 N ATOM 689 CA SER A 68 -4.948 -2.430 -11.528 1.00 0.00 C ATOM 690 C SER A 68 -4.874 -1.316 -12.575 1.00 0.00 C ATOM 691 O SER A 68 -4.570 -1.557 -13.745 1.00 0.00 O ATOM 692 CB SER A 68 -4.167 -3.655 -12.006 1.00 0.00 C ATOM 693 OG SER A 68 -4.155 -4.670 -11.014 1.00 0.00 O ATOM 0 H SER A 68 -6.602 -3.710 -11.599 1.00 0.00 H new ATOM 0 HA SER A 68 -4.500 -2.056 -10.607 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.615 -4.042 -12.921 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.144 -3.367 -12.249 1.00 0.00 H new ATOM 0 HG SER A 68 -3.651 -5.443 -11.343 1.00 0.00 H new ATOM 699 N LYS A 69 -5.161 -0.101 -12.136 1.00 0.00 N ATOM 700 CA LYS A 69 -5.052 1.082 -12.974 1.00 0.00 C ATOM 701 C LYS A 69 -4.617 2.259 -12.109 1.00 0.00 C ATOM 702 O LYS A 69 -4.578 2.146 -10.883 1.00 0.00 O ATOM 703 CB LYS A 69 -6.392 1.393 -13.655 1.00 0.00 C ATOM 704 CG LYS A 69 -7.490 1.821 -12.694 1.00 0.00 C ATOM 705 CD LYS A 69 -8.742 2.268 -13.434 1.00 0.00 C ATOM 706 CE LYS A 69 -8.481 3.487 -14.310 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.100 4.679 -13.504 1.00 0.00 N ATOM 0 H LYS A 69 -5.477 0.093 -11.186 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.313 0.902 -13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.239 2.183 -14.391 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.724 0.510 -14.200 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.736 0.992 -12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.128 2.635 -12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.110 1.449 -14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.526 2.500 -12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.686 3.260 -15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.374 3.713 -14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.369 5.544 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.592 4.651 -12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.072 4.676 -13.345 1.00 0.00 H new ATOM 720 N GLN A 70 -4.289 3.376 -12.736 1.00 0.00 N ATOM 721 CA GLN A 70 -3.859 4.550 -11.997 1.00 0.00 C ATOM 722 C GLN A 70 -5.068 5.356 -11.545 1.00 0.00 C ATOM 723 O GLN A 70 -5.799 5.909 -12.367 1.00 0.00 O ATOM 724 CB GLN A 70 -2.924 5.422 -12.844 1.00 0.00 C ATOM 725 CG GLN A 70 -1.617 4.737 -13.211 1.00 0.00 C ATOM 726 CD GLN A 70 -0.636 5.673 -13.895 1.00 0.00 C ATOM 727 OE1 GLN A 70 0.185 6.318 -13.242 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.710 5.753 -15.214 1.00 0.00 N ATOM 0 H GLN A 70 -4.312 3.494 -13.749 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.306 4.217 -11.119 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.441 5.712 -13.758 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.703 6.339 -12.298 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.158 4.332 -12.309 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.826 3.893 -13.868 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.404 5.203 -15.720 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.073 6.365 -15.724 1.00 0.00 H new ATOM 737 N TRP A 71 -5.297 5.384 -10.241 1.00 0.00 N ATOM 738 CA TRP A 71 -6.391 6.154 -9.672 1.00 0.00 C ATOM 739 C TRP A 71 -5.889 7.543 -9.313 1.00 0.00 C ATOM 740 O TRP A 71 -4.876 7.681 -8.624 1.00 0.00 O ATOM 741 CB TRP A 71 -6.955 5.453 -8.429 1.00 0.00 C ATOM 742 CG TRP A 71 -7.414 4.048 -8.691 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.703 2.902 -8.473 1.00 0.00 C ATOM 744 CD2 TRP A 71 -8.679 3.639 -9.224 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.448 1.807 -8.836 1.00 0.00 N ATOM 746 CE2 TRP A 71 -8.663 2.232 -9.300 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.821 4.322 -9.647 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -9.748 1.502 -9.774 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.896 3.594 -10.118 1.00 0.00 C ATOM 750 CH2 TRP A 71 -10.850 2.198 -10.181 1.00 0.00 C ATOM 0 H TRP A 71 -4.736 4.879 -9.554 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.193 6.235 -10.406 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.191 5.438 -7.652 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.792 6.034 -8.042 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.700 2.863 -8.073 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.145 0.835 -8.770 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.863 5.400 -9.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.720 0.423 -9.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.787 4.111 -10.443 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.705 1.658 -10.560 1.00 0.00 H new ATOM 761 N GLU A 72 -6.580 8.574 -9.775 1.00 0.00 N ATOM 762 CA GLU A 72 -6.116 9.934 -9.568 1.00 0.00 C ATOM 763 C GLU A 72 -6.793 10.541 -8.347 1.00 0.00 C ATOM 764 O GLU A 72 -7.428 11.594 -8.418 1.00 0.00 O ATOM 765 CB GLU A 72 -6.360 10.795 -10.807 1.00 0.00 C ATOM 766 CG GLU A 72 -5.618 12.121 -10.767 1.00 0.00 C ATOM 767 CD GLU A 72 -5.797 12.931 -12.030 1.00 0.00 C ATOM 768 OE1 GLU A 72 -4.982 12.765 -12.963 1.00 0.00 O ATOM 769 OE2 GLU A 72 -6.751 13.735 -12.095 1.00 0.00 O ATOM 0 H GLU A 72 -7.456 8.495 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.041 9.905 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.053 10.240 -11.694 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.429 10.986 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.969 12.703 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.556 11.933 -10.609 1.00 0.00 H new ATOM 776 N ASP A 73 -6.672 9.845 -7.235 1.00 0.00 N ATOM 777 CA ASP A 73 -7.145 10.354 -5.957 1.00 0.00 C ATOM 778 C ASP A 73 -6.231 9.850 -4.840 1.00 0.00 C ATOM 779 O ASP A 73 -6.672 9.168 -3.915 1.00 0.00 O ATOM 780 CB ASP A 73 -8.595 9.918 -5.712 1.00 0.00 C ATOM 781 CG ASP A 73 -9.313 10.815 -4.721 1.00 0.00 C ATOM 782 OD1 ASP A 73 -9.746 11.917 -5.120 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.475 10.420 -3.550 1.00 0.00 O ATOM 0 H ASP A 73 -6.248 8.919 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.120 11.444 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.136 9.921 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.605 8.893 -5.342 1.00 0.00 H new ATOM 788 N PRO A 74 -4.923 10.171 -4.921 1.00 0.00 N ATOM 789 CA PRO A 74 -3.922 9.682 -3.971 1.00 0.00 C ATOM 790 C PRO A 74 -3.986 10.425 -2.647 1.00 0.00 C ATOM 791 O PRO A 74 -3.324 10.057 -1.677 1.00 0.00 O ATOM 792 CB PRO A 74 -2.579 9.953 -4.673 1.00 0.00 C ATOM 793 CG PRO A 74 -2.926 10.446 -6.038 1.00 0.00 C ATOM 794 CD PRO A 74 -4.301 11.036 -5.927 1.00 0.00 C ATOM 0 HA PRO A 74 -4.076 8.631 -3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.995 10.693 -4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.976 9.047 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.208 11.192 -6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.908 9.632 -6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.273 12.078 -5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.835 11.007 -6.877 1.00 0.00 H new ATOM 802 N SER A 75 -4.805 11.465 -2.619 1.00 0.00 N ATOM 803 CA SER A 75 -4.999 12.287 -1.434 1.00 0.00 C ATOM 804 C SER A 75 -5.516 11.464 -0.253 1.00 0.00 C ATOM 805 O SER A 75 -5.383 11.867 0.903 1.00 0.00 O ATOM 806 CB SER A 75 -5.967 13.419 -1.772 1.00 0.00 C ATOM 807 OG SER A 75 -6.964 12.970 -2.680 1.00 0.00 O ATOM 0 H SER A 75 -5.357 11.764 -3.423 1.00 0.00 H new ATOM 0 HA SER A 75 -4.037 12.702 -1.132 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.437 13.787 -0.860 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.420 14.255 -2.208 1.00 0.00 H new ATOM 0 HG SER A 75 -7.576 13.707 -2.884 1.00 0.00 H new ATOM 813 N GLN A 76 -6.082 10.301 -0.551 1.00 0.00 N ATOM 814 CA GLN A 76 -6.568 9.390 0.479 1.00 0.00 C ATOM 815 C GLN A 76 -5.415 8.824 1.314 1.00 0.00 C ATOM 816 O GLN A 76 -5.630 8.315 2.412 1.00 0.00 O ATOM 817 CB GLN A 76 -7.354 8.240 -0.163 1.00 0.00 C ATOM 818 CG GLN A 76 -8.645 8.678 -0.837 1.00 0.00 C ATOM 819 CD GLN A 76 -9.658 9.221 0.151 1.00 0.00 C ATOM 820 OE1 GLN A 76 -10.465 8.475 0.702 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.633 10.526 0.373 1.00 0.00 N ATOM 0 H GLN A 76 -6.217 9.964 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.223 9.955 1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.720 7.746 -0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.588 7.501 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.422 9.442 -1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.079 7.832 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.947 11.111 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.299 10.946 1.021 1.00 0.00 H new ATOM 830 N ALA A 77 -4.196 8.923 0.793 1.00 0.00 N ATOM 831 CA ALA A 77 -3.032 8.342 1.453 1.00 0.00 C ATOM 832 C ALA A 77 -2.056 9.416 1.925 1.00 0.00 C ATOM 833 O ALA A 77 -0.885 9.129 2.188 1.00 0.00 O ATOM 834 CB ALA A 77 -2.331 7.371 0.513 1.00 0.00 C ATOM 0 H ALA A 77 -3.989 9.400 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.382 7.804 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.463 6.942 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.020 6.574 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.007 7.901 -0.383 1.00 0.00 H new ATOM 840 N SER A 78 -2.542 10.649 2.041 1.00 0.00 N ATOM 841 CA SER A 78 -1.708 11.770 2.481 1.00 0.00 C ATOM 842 C SER A 78 -1.094 11.492 3.854 1.00 0.00 C ATOM 843 O SER A 78 0.070 11.816 4.105 1.00 0.00 O ATOM 844 CB SER A 78 -2.536 13.057 2.524 1.00 0.00 C ATOM 845 OG SER A 78 -3.141 13.314 1.268 1.00 0.00 O ATOM 0 H SER A 78 -3.509 10.900 1.837 1.00 0.00 H new ATOM 0 HA SER A 78 -0.896 11.892 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.305 12.973 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.897 13.895 2.802 1.00 0.00 H new ATOM 0 HG SER A 78 -4.061 12.978 1.273 1.00 0.00 H new ATOM 851 N LYS A 79 -1.891 10.884 4.730 1.00 0.00 N ATOM 852 CA LYS A 79 -1.447 10.503 6.067 1.00 0.00 C ATOM 853 C LYS A 79 -0.170 9.667 6.016 1.00 0.00 C ATOM 854 O LYS A 79 0.777 9.931 6.754 1.00 0.00 O ATOM 855 CB LYS A 79 -2.560 9.717 6.769 1.00 0.00 C ATOM 856 CG LYS A 79 -2.205 9.245 8.169 1.00 0.00 C ATOM 857 CD LYS A 79 -2.089 10.399 9.151 1.00 0.00 C ATOM 858 CE LYS A 79 -3.412 11.128 9.328 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.330 12.163 10.393 1.00 0.00 N ATOM 0 H LYS A 79 -2.862 10.642 4.532 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.226 11.412 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.451 10.342 6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.816 8.850 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.966 8.547 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.262 8.700 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.750 10.022 10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.332 11.100 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.699 11.596 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.193 10.410 9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.250 12.639 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.081 11.712 11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.602 12.862 10.142 1.00 0.00 H new ATOM 872 N VAL A 80 -0.142 8.678 5.128 1.00 0.00 N ATOM 873 CA VAL A 80 1.001 7.776 5.019 1.00 0.00 C ATOM 874 C VAL A 80 2.266 8.549 4.652 1.00 0.00 C ATOM 875 O VAL A 80 3.304 8.400 5.296 1.00 0.00 O ATOM 876 CB VAL A 80 0.758 6.660 3.972 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.987 5.770 3.834 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.458 5.824 4.347 1.00 0.00 C ATOM 0 H VAL A 80 -0.898 8.480 4.473 1.00 0.00 H new ATOM 0 HA VAL A 80 1.130 7.308 5.995 1.00 0.00 H new ATOM 0 HB VAL A 80 0.568 7.137 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.793 4.994 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.838 6.372 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.211 5.307 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.610 5.047 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.296 5.363 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.340 6.463 4.390 1.00 0.00 H new ATOM 888 N CYS A 81 2.163 9.396 3.636 1.00 0.00 N ATOM 889 CA CYS A 81 3.301 10.187 3.188 1.00 0.00 C ATOM 890 C CYS A 81 3.792 11.104 4.303 1.00 0.00 C ATOM 891 O CYS A 81 4.993 11.241 4.528 1.00 0.00 O ATOM 892 CB CYS A 81 2.921 11.017 1.960 1.00 0.00 C ATOM 893 SG CYS A 81 2.317 10.025 0.560 1.00 0.00 S ATOM 0 H CYS A 81 1.305 9.553 3.108 1.00 0.00 H new ATOM 0 HA CYS A 81 4.106 9.503 2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.151 11.735 2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.790 11.591 1.638 1.00 0.00 H new ATOM 898 N GLN A 82 2.853 11.706 5.018 1.00 0.00 N ATOM 899 CA GLN A 82 3.190 12.641 6.079 1.00 0.00 C ATOM 900 C GLN A 82 3.827 11.911 7.264 1.00 0.00 C ATOM 901 O GLN A 82 4.697 12.456 7.943 1.00 0.00 O ATOM 902 CB GLN A 82 1.943 13.405 6.524 1.00 0.00 C ATOM 903 CG GLN A 82 2.241 14.589 7.433 1.00 0.00 C ATOM 904 CD GLN A 82 3.030 15.683 6.737 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.819 15.833 5.439 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 3.818 16.395 7.364 1.00 0.00 N flip ATOM 0 H GLN A 82 1.852 11.563 4.882 1.00 0.00 H new ATOM 0 HA GLN A 82 3.917 13.355 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.412 13.761 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.274 12.719 7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.302 15.003 7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.800 14.242 8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.953 16.248 8.364 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.335 17.131 6.882 1.00 0.00 H new ATOM 915 N ARG A 83 3.403 10.670 7.503 1.00 0.00 N ATOM 916 CA ARG A 83 3.989 9.854 8.566 1.00 0.00 C ATOM 917 C ARG A 83 5.447 9.527 8.251 1.00 0.00 C ATOM 918 O ARG A 83 6.261 9.335 9.151 1.00 0.00 O ATOM 919 CB ARG A 83 3.202 8.552 8.776 1.00 0.00 C ATOM 920 CG ARG A 83 1.807 8.731 9.364 1.00 0.00 C ATOM 921 CD ARG A 83 1.838 9.364 10.751 1.00 0.00 C ATOM 922 NE ARG A 83 2.062 10.808 10.700 1.00 0.00 N ATOM 923 CZ ARG A 83 2.493 11.532 11.729 1.00 0.00 C ATOM 924 NH1 ARG A 83 2.702 10.956 12.903 1.00 0.00 N ATOM 925 NH2 ARG A 83 2.683 12.835 11.598 1.00 0.00 N ATOM 0 H ARG A 83 2.660 10.210 6.978 1.00 0.00 H new ATOM 0 HA ARG A 83 3.941 10.436 9.486 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.113 8.040 7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.776 7.900 9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.211 9.354 8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.312 7.761 9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.895 9.163 11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.626 8.898 11.343 1.00 0.00 H new ATOM 0 HE ARG A 83 1.876 11.290 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.532 9.957 13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.033 11.512 13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.499 13.290 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.014 13.384 12.391 1.00 0.00 H new ATOM 938 N LEU A 84 5.773 9.466 6.966 1.00 0.00 N ATOM 939 CA LEU A 84 7.145 9.215 6.537 1.00 0.00 C ATOM 940 C LEU A 84 7.914 10.520 6.379 1.00 0.00 C ATOM 941 O LEU A 84 9.002 10.540 5.806 1.00 0.00 O ATOM 942 CB LEU A 84 7.180 8.430 5.221 1.00 0.00 C ATOM 943 CG LEU A 84 7.120 6.903 5.359 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.752 6.444 5.841 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.473 6.241 4.037 1.00 0.00 C ATOM 0 H LEU A 84 5.107 9.587 6.203 1.00 0.00 H new ATOM 0 HA LEU A 84 7.623 8.616 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.343 8.754 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.092 8.693 4.686 1.00 0.00 H new ATOM 0 HG LEU A 84 7.852 6.602 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.743 5.358 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.541 6.888 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.991 6.757 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.427 5.158 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.765 6.557 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.481 6.532 3.742 1.00 0.00 H new ATOM 957 N ASN A 85 7.338 11.604 6.899 1.00 0.00 N ATOM 958 CA ASN A 85 7.954 12.929 6.845 1.00 0.00 C ATOM 959 C ASN A 85 8.110 13.398 5.405 1.00 0.00 C ATOM 960 O ASN A 85 9.085 14.061 5.041 1.00 0.00 O ATOM 961 CB ASN A 85 9.304 12.944 7.567 1.00 0.00 C ATOM 962 CG ASN A 85 9.170 12.777 9.072 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.263 12.105 9.568 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.075 13.394 9.815 1.00 0.00 N ATOM 0 H ASN A 85 6.433 11.588 7.369 1.00 0.00 H new ATOM 0 HA ASN A 85 7.290 13.623 7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.931 12.145 7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.814 13.884 7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.035 13.322 10.832 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.812 13.942 9.371 1.00 0.00 H new ATOM 971 N CYS A 86 7.137 13.039 4.592 1.00 0.00 N ATOM 972 CA CYS A 86 7.090 13.465 3.211 1.00 0.00 C ATOM 973 C CYS A 86 5.910 14.403 3.016 1.00 0.00 C ATOM 974 O CYS A 86 5.083 14.553 3.915 1.00 0.00 O ATOM 975 CB CYS A 86 6.978 12.251 2.284 1.00 0.00 C ATOM 976 SG CYS A 86 8.339 11.055 2.480 1.00 0.00 S ATOM 0 H CYS A 86 6.357 12.444 4.872 1.00 0.00 H new ATOM 0 HA CYS A 86 8.010 13.994 2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.031 11.746 2.474 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.954 12.595 1.250 1.00 0.00 H new ATOM 981 N GLY A 87 5.840 15.040 1.863 1.00 0.00 N ATOM 982 CA GLY A 87 4.745 15.945 1.592 1.00 0.00 C ATOM 983 C GLY A 87 3.490 15.213 1.166 1.00 0.00 C ATOM 984 O GLY A 87 3.106 14.207 1.769 1.00 0.00 O ATOM 0 H GLY A 87 6.520 14.948 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.534 16.535 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.039 16.644 0.809 1.00 0.00 H new ATOM 988 N ASP A 88 2.860 15.711 0.121 1.00 0.00 N ATOM 989 CA ASP A 88 1.628 15.129 -0.383 1.00 0.00 C ATOM 990 C ASP A 88 1.927 14.011 -1.376 1.00 0.00 C ATOM 991 O ASP A 88 3.016 13.957 -1.958 1.00 0.00 O ATOM 992 CB ASP A 88 0.762 16.209 -1.040 1.00 0.00 C ATOM 993 CG ASP A 88 0.207 17.198 -0.030 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.805 16.882 0.629 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.785 18.299 0.112 1.00 0.00 O ATOM 0 H ASP A 88 3.183 16.525 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 88 1.079 14.703 0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.354 16.745 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.063 15.736 -1.572 1.00 0.00 H new ATOM 1000 N PRO A 89 0.972 13.083 -1.556 1.00 0.00 N ATOM 1001 CA PRO A 89 1.116 11.967 -2.487 1.00 0.00 C ATOM 1002 C PRO A 89 1.076 12.424 -3.942 1.00 0.00 C ATOM 1003 O PRO A 89 0.090 13.010 -4.393 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.087 11.062 -2.189 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.725 11.607 -0.957 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.323 13.049 -0.865 1.00 0.00 C ATOM 0 HA PRO A 89 2.076 11.466 -2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.789 11.061 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.230 10.030 -2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.810 11.510 -1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.397 11.057 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.052 13.701 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.235 13.377 0.171 1.00 0.00 H new ATOM 1014 N LEU A 90 2.144 12.140 -4.669 1.00 0.00 N ATOM 1015 CA LEU A 90 2.258 12.535 -6.065 1.00 0.00 C ATOM 1016 C LEU A 90 1.513 11.558 -6.964 1.00 0.00 C ATOM 1017 O LEU A 90 0.948 11.946 -7.989 1.00 0.00 O ATOM 1018 CB LEU A 90 3.732 12.588 -6.475 1.00 0.00 C ATOM 1019 CG LEU A 90 4.594 13.606 -5.722 1.00 0.00 C ATOM 1020 CD1 LEU A 90 6.040 13.523 -6.191 1.00 0.00 C ATOM 1021 CD2 LEU A 90 4.054 15.018 -5.914 1.00 0.00 C ATOM 0 H LEU A 90 2.953 11.632 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 90 1.813 13.524 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.165 11.598 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.786 12.811 -7.541 1.00 0.00 H new ATOM 0 HG LEU A 90 4.556 13.368 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.641 14.252 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.427 12.521 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.089 13.736 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.681 15.725 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.060 15.269 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.034 15.072 -5.534 1.00 0.00 H new ATOM 1033 N SER A 91 1.522 10.289 -6.581 1.00 0.00 N ATOM 1034 CA SER A 91 0.869 9.250 -7.361 1.00 0.00 C ATOM 1035 C SER A 91 0.713 7.967 -6.548 1.00 0.00 C ATOM 1036 O SER A 91 1.520 7.679 -5.658 1.00 0.00 O ATOM 1037 CB SER A 91 1.674 8.984 -8.639 1.00 0.00 C ATOM 1038 OG SER A 91 3.061 8.914 -8.354 1.00 0.00 O ATOM 0 H SER A 91 1.976 9.954 -5.731 1.00 0.00 H new ATOM 0 HA SER A 91 -0.130 9.593 -7.631 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.344 8.050 -9.094 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.486 9.776 -9.364 1.00 0.00 H new ATOM 0 HG SER A 91 3.557 8.742 -9.182 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.338 7.216 -6.849 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.594 5.937 -6.201 1.00 0.00 C ATOM 1046 C LEU A 92 -1.256 4.990 -7.198 1.00 0.00 C ATOM 1047 O LEU A 92 -2.200 5.372 -7.892 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.484 6.133 -4.961 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.805 4.860 -4.158 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.935 5.187 -2.680 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.095 4.211 -4.650 1.00 0.00 C ATOM 0 H LEU A 92 -1.035 7.475 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 92 0.350 5.503 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.996 6.846 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.423 6.585 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.984 4.159 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.162 4.277 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.998 5.609 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.738 5.910 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.297 3.314 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.922 4.912 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.989 3.942 -5.701 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.755 3.766 -7.277 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.313 2.798 -8.203 1.00 0.00 C ATOM 1065 C GLY A 93 -0.520 1.507 -8.235 1.00 0.00 C ATOM 1066 O GLY A 93 0.224 1.221 -7.301 1.00 0.00 O ATOM 0 H GLY A 93 0.027 3.425 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.343 2.582 -7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.340 3.230 -9.203 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.661 0.697 -9.296 1.00 0.00 N ATOM 1071 CA PRO A 94 0.080 -0.553 -9.443 1.00 0.00 C ATOM 1072 C PRO A 94 1.528 -0.304 -9.857 1.00 0.00 C ATOM 1073 O PRO A 94 1.796 0.135 -10.977 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.667 -1.305 -10.557 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.859 -0.468 -10.898 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.551 0.928 -10.436 1.00 0.00 C ATOM 0 HA PRO A 94 0.127 -1.108 -8.506 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.028 -1.445 -11.429 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.971 -2.297 -10.221 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.052 -0.487 -11.971 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.754 -0.850 -10.407 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.067 1.516 -11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.452 1.467 -10.144 1.00 0.00 H new ATOM 1084 N PHE A 95 2.455 -0.592 -8.957 1.00 0.00 N ATOM 1085 CA PHE A 95 3.865 -0.345 -9.208 1.00 0.00 C ATOM 1086 C PHE A 95 4.603 -1.652 -9.454 1.00 0.00 C ATOM 1087 O PHE A 95 4.561 -2.557 -8.619 1.00 0.00 O ATOM 1088 CB PHE A 95 4.495 0.392 -8.021 1.00 0.00 C ATOM 1089 CG PHE A 95 5.936 0.779 -8.231 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.265 1.900 -8.978 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.961 0.021 -7.682 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.586 2.258 -9.173 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.284 0.373 -7.876 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.597 1.492 -8.621 1.00 0.00 C ATOM 0 H PHE A 95 2.255 -0.998 -8.043 1.00 0.00 H new ATOM 0 HA PHE A 95 3.949 0.277 -10.099 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.915 1.292 -7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.425 -0.241 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.480 2.501 -9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.722 -0.854 -7.096 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.828 3.135 -9.756 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.072 -0.227 -7.445 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.630 1.769 -8.773 1.00 0.00 H new ATOM 1104 N LEU A 96 5.261 -1.738 -10.614 1.00 0.00 N ATOM 1105 CA LEU A 96 6.134 -2.866 -10.945 1.00 0.00 C ATOM 1106 C LEU A 96 5.336 -4.150 -11.194 1.00 0.00 C ATOM 1107 O LEU A 96 4.200 -4.310 -10.736 1.00 0.00 O ATOM 1108 CB LEU A 96 7.157 -3.078 -9.814 1.00 0.00 C ATOM 1109 CG LEU A 96 8.197 -4.183 -10.037 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.192 -3.789 -11.119 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.924 -4.503 -8.739 1.00 0.00 C ATOM 0 H LEU A 96 5.203 -1.031 -11.346 1.00 0.00 H new ATOM 0 HA LEU A 96 6.659 -2.628 -11.870 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.685 -2.139 -9.650 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.612 -3.301 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 96 7.670 -5.077 -10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.917 -4.591 -11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.662 -3.616 -12.055 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.711 -2.878 -10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.658 -5.289 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.431 -3.609 -8.376 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.205 -4.840 -7.993 1.00 0.00 H new ATOM 1123 N LYS A 97 5.921 -5.046 -11.968 1.00 0.00 N ATOM 1124 CA LYS A 97 5.381 -6.383 -12.127 1.00 0.00 C ATOM 1125 C LYS A 97 6.118 -7.309 -11.172 1.00 0.00 C ATOM 1126 O LYS A 97 7.045 -8.016 -11.556 1.00 0.00 O ATOM 1127 CB LYS A 97 5.532 -6.856 -13.575 1.00 0.00 C ATOM 1128 CG LYS A 97 4.874 -5.929 -14.586 1.00 0.00 C ATOM 1129 CD LYS A 97 5.159 -6.358 -16.012 1.00 0.00 C ATOM 1130 CE LYS A 97 4.550 -5.382 -17.002 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.844 -5.748 -18.412 1.00 0.00 N ATOM 0 H LYS A 97 6.774 -4.870 -12.498 1.00 0.00 H new ATOM 0 HA LYS A 97 4.316 -6.387 -11.895 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.592 -6.945 -13.811 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.099 -7.852 -13.671 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.797 -5.915 -14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.234 -4.911 -14.434 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.236 -6.418 -16.170 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.755 -7.356 -16.184 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.470 -5.347 -16.856 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.931 -4.381 -16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.407 -5.052 -19.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.873 -5.756 -18.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.458 -6.692 -18.613 1.00 0.00 H new ATOM 1144 N THR A 98 5.707 -7.267 -9.914 1.00 0.00 N ATOM 1145 CA THR A 98 6.414 -7.944 -8.842 1.00 0.00 C ATOM 1146 C THR A 98 6.348 -9.465 -8.967 1.00 0.00 C ATOM 1147 O THR A 98 7.278 -10.168 -8.572 1.00 0.00 O ATOM 1148 CB THR A 98 5.834 -7.514 -7.486 1.00 0.00 C ATOM 1149 OG1 THR A 98 4.965 -6.387 -7.680 1.00 0.00 O ATOM 1150 CG2 THR A 98 6.939 -7.144 -6.510 1.00 0.00 C ATOM 0 H THR A 98 4.874 -6.763 -9.609 1.00 0.00 H new ATOM 0 HA THR A 98 7.463 -7.656 -8.914 1.00 0.00 H new ATOM 0 HB THR A 98 5.276 -8.351 -7.066 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.155 -5.707 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.499 -6.844 -5.559 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.589 -8.005 -6.353 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.522 -6.318 -6.917 1.00 0.00 H new ATOM 1158 N TYR A 99 5.229 -9.958 -9.513 1.00 0.00 N ATOM 1159 CA TYR A 99 5.009 -11.397 -9.716 1.00 0.00 C ATOM 1160 C TYR A 99 4.983 -12.158 -8.395 1.00 0.00 C ATOM 1161 O TYR A 99 5.037 -13.385 -8.383 1.00 0.00 O ATOM 1162 CB TYR A 99 6.088 -11.998 -10.626 1.00 0.00 C ATOM 1163 CG TYR A 99 5.811 -11.850 -12.106 1.00 0.00 C ATOM 1164 CD1 TYR A 99 6.092 -10.667 -12.776 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.280 -12.907 -12.837 1.00 0.00 C ATOM 1166 CE1 TYR A 99 5.854 -10.539 -14.129 1.00 0.00 C ATOM 1167 CE2 TYR A 99 5.038 -12.786 -14.192 1.00 0.00 C ATOM 1168 CZ TYR A 99 5.328 -11.600 -14.832 1.00 0.00 C ATOM 1169 OH TYR A 99 5.099 -11.475 -16.183 1.00 0.00 O ATOM 0 H TYR A 99 4.453 -9.374 -9.826 1.00 0.00 H new ATOM 0 HA TYR A 99 4.035 -11.500 -10.195 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.043 -11.524 -10.398 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.194 -13.057 -10.393 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.504 -9.832 -12.229 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.053 -13.837 -12.338 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.079 -9.611 -14.634 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.624 -13.615 -14.746 1.00 0.00 H new ATOM 0 HH TYR A 99 4.727 -12.312 -16.531 1.00 0.00 H new ATOM 1179 N THR A 100 4.873 -11.424 -7.295 1.00 0.00 N ATOM 1180 CA THR A 100 4.951 -12.007 -5.966 1.00 0.00 C ATOM 1181 C THR A 100 3.583 -12.478 -5.480 1.00 0.00 C ATOM 1182 O THR A 100 2.711 -11.662 -5.196 1.00 0.00 O ATOM 1183 CB THR A 100 5.512 -10.984 -4.964 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.715 -10.409 -5.484 1.00 0.00 O ATOM 1185 CG2 THR A 100 5.796 -11.632 -3.615 1.00 0.00 C ATOM 0 H THR A 100 4.728 -10.414 -7.300 1.00 0.00 H new ATOM 0 HA THR A 100 5.616 -12.868 -6.029 1.00 0.00 H new ATOM 0 HB THR A 100 4.763 -10.205 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.069 -9.757 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.192 -10.884 -2.928 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.873 -12.046 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.527 -12.431 -3.742 1.00 0.00 H new ATOM 1193 N PRO A 101 3.370 -13.800 -5.416 1.00 0.00 N ATOM 1194 CA PRO A 101 2.176 -14.401 -4.860 1.00 0.00 C ATOM 1195 C PRO A 101 2.444 -15.020 -3.491 1.00 0.00 C ATOM 1196 O PRO A 101 1.973 -16.118 -3.190 1.00 0.00 O ATOM 1197 CB PRO A 101 1.895 -15.487 -5.895 1.00 0.00 C ATOM 1198 CG PRO A 101 3.252 -15.908 -6.395 1.00 0.00 C ATOM 1199 CD PRO A 101 4.244 -14.851 -5.942 1.00 0.00 C ATOM 0 HA PRO A 101 1.359 -13.698 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.360 -16.326 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.275 -15.107 -6.707 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.523 -16.886 -5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.252 -15.995 -7.481 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.924 -15.233 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.859 -14.492 -6.767 1.00 0.00 H new ATOM 1207 N GLN A 102 3.220 -14.320 -2.671 1.00 0.00 N ATOM 1208 CA GLN A 102 3.663 -14.866 -1.395 1.00 0.00 C ATOM 1209 C GLN A 102 3.612 -13.806 -0.294 1.00 0.00 C ATOM 1210 O GLN A 102 2.707 -13.805 0.537 1.00 0.00 O ATOM 1211 CB GLN A 102 5.089 -15.419 -1.529 1.00 0.00 C ATOM 1212 CG GLN A 102 5.598 -16.141 -0.290 1.00 0.00 C ATOM 1213 CD GLN A 102 4.866 -17.441 -0.028 1.00 0.00 C ATOM 1214 OE1 GLN A 102 3.857 -17.473 0.676 1.00 0.00 O ATOM 1215 NE2 GLN A 102 5.371 -18.524 -0.596 1.00 0.00 N ATOM 0 H GLN A 102 3.554 -13.376 -2.867 1.00 0.00 H new ATOM 0 HA GLN A 102 2.987 -15.675 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.122 -16.106 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.765 -14.596 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.662 -16.345 -0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.491 -15.488 0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.210 -18.454 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.922 -19.429 -0.457 1.00 0.00 H new ATOM 1224 N SER A 103 4.573 -12.892 -0.311 1.00 0.00 N ATOM 1225 CA SER A 103 4.691 -11.873 0.729 1.00 0.00 C ATOM 1226 C SER A 103 3.748 -10.697 0.468 1.00 0.00 C ATOM 1227 O SER A 103 3.866 -9.636 1.086 1.00 0.00 O ATOM 1228 CB SER A 103 6.135 -11.385 0.796 1.00 0.00 C ATOM 1229 OG SER A 103 7.035 -12.480 0.761 1.00 0.00 O ATOM 0 H SER A 103 5.287 -12.834 -1.037 1.00 0.00 H new ATOM 0 HA SER A 103 4.407 -12.318 1.683 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.337 -10.715 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.288 -10.811 1.710 1.00 0.00 H new ATOM 0 HG SER A 103 7.956 -12.148 0.803 1.00 0.00 H new ATOM 1235 N SER A 104 2.815 -10.901 -0.442 1.00 0.00 N ATOM 1236 CA SER A 104 1.854 -9.881 -0.806 1.00 0.00 C ATOM 1237 C SER A 104 0.473 -10.248 -0.268 1.00 0.00 C ATOM 1238 O SER A 104 0.143 -11.430 -0.136 1.00 0.00 O ATOM 1239 CB SER A 104 1.820 -9.746 -2.324 1.00 0.00 C ATOM 1240 OG SER A 104 1.685 -11.021 -2.926 1.00 0.00 O ATOM 0 H SER A 104 2.703 -11.779 -0.949 1.00 0.00 H new ATOM 0 HA SER A 104 2.147 -8.926 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.989 -9.106 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.734 -9.265 -2.674 1.00 0.00 H new ATOM 0 HG SER A 104 2.329 -11.106 -3.660 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.327 -9.242 0.044 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.658 -9.472 0.582 1.00 0.00 C ATOM 1248 C ILE A 105 -2.716 -8.692 -0.187 1.00 0.00 C ATOM 1249 O ILE A 105 -2.470 -7.582 -0.666 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.754 -9.101 2.081 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.291 -7.656 2.305 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.947 -10.080 2.925 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.398 -7.187 3.740 1.00 0.00 C ATOM 0 H ILE A 105 -0.079 -8.259 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.844 -10.540 0.472 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.796 -9.171 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.255 -7.564 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.883 -6.994 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.025 -9.804 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.336 -11.088 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.099 -10.048 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.051 -6.156 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.437 -7.244 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.783 -7.822 4.377 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.887 -9.293 -0.306 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.047 -8.634 -0.881 1.00 0.00 C ATOM 1267 C ILE A 106 -6.024 -8.301 0.236 1.00 0.00 C ATOM 1268 O ILE A 106 -6.479 -9.191 0.960 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.749 -9.517 -1.944 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.926 -9.557 -3.229 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.158 -9.008 -2.233 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.425 -10.570 -4.234 1.00 0.00 C ATOM 0 H ILE A 106 -4.061 -10.252 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.712 -7.726 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.828 -10.529 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.934 -8.568 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.889 -9.784 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.628 -9.645 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.748 -9.029 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.106 -7.986 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.793 -10.543 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.391 -11.567 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.452 -10.331 -4.512 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.317 -7.027 0.397 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.210 -6.585 1.456 1.00 0.00 C ATOM 1286 C CYS A 107 -8.623 -6.389 0.931 1.00 0.00 C ATOM 1287 O CYS A 107 -8.822 -5.932 -0.194 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.688 -5.292 2.083 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.069 -5.479 2.895 1.00 0.00 S ATOM 0 H CYS A 107 -5.952 -6.277 -0.190 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.240 -7.360 2.222 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.611 -4.528 1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.413 -4.934 2.814 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.600 -6.753 1.743 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.994 -6.589 1.380 1.00 0.00 C ATOM 1296 C TYR A 108 -11.665 -5.632 2.352 1.00 0.00 C ATOM 1297 O TYR A 108 -11.093 -5.293 3.388 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.717 -7.937 1.379 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.260 -8.884 0.283 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.693 -8.717 -1.029 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.407 -9.947 0.561 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.287 -9.581 -2.031 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.999 -10.816 -0.435 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.441 -10.628 -1.728 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.038 -11.496 -2.722 1.00 0.00 O ATOM 0 H TYR A 108 -9.451 -7.166 2.663 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.048 -6.176 0.373 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.568 -8.418 2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.788 -7.763 1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.357 -7.900 -1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.057 -10.096 1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.631 -9.436 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.338 -11.637 -0.201 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.443 -12.176 -2.341 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.867 -5.197 2.023 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.567 -4.276 2.886 1.00 0.00 C ATOM 1317 C GLY A 109 -13.795 -2.938 2.225 1.00 0.00 C ATOM 1318 O GLY A 109 -14.383 -2.866 1.145 1.00 0.00 O ATOM 0 H GLY A 109 -13.370 -5.464 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.527 -4.706 3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.995 -4.134 3.803 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.315 -1.879 2.856 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.527 -0.532 2.350 1.00 0.00 C ATOM 1324 C GLN A 110 -12.185 0.160 2.126 1.00 0.00 C ATOM 1325 O GLN A 110 -11.240 -0.055 2.886 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.376 0.265 3.344 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.260 1.320 2.694 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.389 0.717 1.874 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.268 -0.372 1.317 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -17.505 1.418 1.806 1.00 0.00 N ATOM 0 H GLN A 110 -12.775 -1.926 3.720 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.054 -0.586 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.005 -0.426 3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.716 0.751 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.681 1.962 3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.649 1.954 2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.571 2.318 2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -18.301 1.059 1.279 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.113 0.976 1.078 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.886 1.679 0.706 1.00 0.00 C ATOM 1341 C LEU A 111 -10.303 2.455 1.884 1.00 0.00 C ATOM 1342 O LEU A 111 -10.929 3.379 2.411 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.163 2.629 -0.465 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.980 3.497 -0.911 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.799 2.636 -1.336 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.398 4.421 -2.047 1.00 0.00 C ATOM 0 H LEU A 111 -12.903 1.169 0.462 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.151 0.933 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.498 2.038 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.988 3.286 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.668 4.104 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.974 3.277 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.480 2.016 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.095 1.997 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.547 5.030 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.740 3.825 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.206 5.070 -1.710 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.102 2.064 2.294 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.432 2.726 3.394 1.00 0.00 C ATOM 1360 C GLY A 112 -8.451 1.893 4.659 1.00 0.00 C ATOM 1361 O GLY A 112 -7.709 2.167 5.603 1.00 0.00 O ATOM 0 H GLY A 112 -8.578 1.294 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.400 2.936 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.912 3.686 3.585 1.00 0.00 H new ATOM 1365 N SER A 113 -9.295 0.873 4.673 1.00 0.00 N ATOM 1366 CA SER A 113 -9.446 0.024 5.838 1.00 0.00 C ATOM 1367 C SER A 113 -8.736 -1.312 5.646 1.00 0.00 C ATOM 1368 O SER A 113 -9.088 -2.101 4.769 1.00 0.00 O ATOM 1369 CB SER A 113 -10.931 -0.205 6.121 1.00 0.00 C ATOM 1370 OG SER A 113 -11.125 -1.016 7.268 1.00 0.00 O ATOM 0 H SER A 113 -9.888 0.614 3.884 1.00 0.00 H new ATOM 0 HA SER A 113 -8.987 0.527 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.427 0.755 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.398 -0.678 5.257 1.00 0.00 H new ATOM 0 HG SER A 113 -12.085 -1.141 7.421 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.742 -1.556 6.478 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.023 -2.818 6.483 1.00 0.00 C ATOM 1378 C PHE A 114 -7.600 -3.708 7.577 1.00 0.00 C ATOM 1379 O PHE A 114 -6.869 -4.265 8.398 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.524 -2.590 6.727 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.816 -1.851 5.622 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.869 -0.466 5.546 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.086 -2.539 4.666 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.211 0.213 4.540 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.424 -1.862 3.658 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.487 -0.484 3.596 1.00 0.00 C ATOM 0 H PHE A 114 -7.409 -0.885 7.171 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.137 -3.300 5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.401 -2.033 7.656 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.041 -3.557 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.432 0.087 6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.033 -3.617 4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.263 1.291 4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.858 -2.411 2.920 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.970 0.047 2.810 1.00 0.00 H new ATOM 1396 N SER A 115 -8.923 -3.808 7.600 1.00 0.00 N ATOM 1397 CA SER A 115 -9.624 -4.561 8.629 1.00 0.00 C ATOM 1398 C SER A 115 -9.328 -6.055 8.528 1.00 0.00 C ATOM 1399 O SER A 115 -8.929 -6.681 9.512 1.00 0.00 O ATOM 1400 CB SER A 115 -11.128 -4.303 8.524 1.00 0.00 C ATOM 1401 OG SER A 115 -11.551 -4.333 7.170 1.00 0.00 O ATOM 0 H SER A 115 -9.536 -3.372 6.911 1.00 0.00 H new ATOM 0 HA SER A 115 -9.268 -4.223 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.671 -5.055 9.096 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.367 -3.334 8.963 1.00 0.00 H new ATOM 0 HG SER A 115 -12.516 -4.167 7.125 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.516 -6.616 7.340 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.240 -8.028 7.111 1.00 0.00 C ATOM 1409 C ASN A 116 -8.576 -8.223 5.755 1.00 0.00 C ATOM 1410 O ASN A 116 -9.197 -8.015 4.708 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.529 -8.854 7.168 1.00 0.00 C ATOM 1412 CG ASN A 116 -10.254 -10.349 7.215 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -9.286 -10.801 7.831 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.096 -11.125 6.554 1.00 0.00 N ATOM 0 H ASN A 116 -9.858 -6.115 6.520 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.568 -8.369 7.898 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.105 -8.565 8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.143 -8.627 6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.956 -12.135 6.542 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.885 -10.713 6.056 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.313 -8.602 5.774 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.577 -8.857 4.550 1.00 0.00 C ATOM 1423 C CYS A 117 -6.276 -10.344 4.425 1.00 0.00 C ATOM 1424 O CYS A 117 -6.312 -11.076 5.415 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.282 -8.043 4.532 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.534 -6.244 4.720 1.00 0.00 S ATOM 0 H CYS A 117 -6.773 -8.741 6.628 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.186 -8.552 3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.633 -8.394 5.334 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.760 -8.230 3.594 1.00 0.00 H new ATOM 1431 N SER A 118 -5.999 -10.794 3.213 1.00 0.00 N ATOM 1432 CA SER A 118 -5.745 -12.202 2.973 1.00 0.00 C ATOM 1433 C SER A 118 -4.570 -12.390 2.024 1.00 0.00 C ATOM 1434 O SER A 118 -4.248 -11.498 1.236 1.00 0.00 O ATOM 1435 CB SER A 118 -7.008 -12.864 2.414 1.00 0.00 C ATOM 1436 OG SER A 118 -7.627 -12.046 1.430 1.00 0.00 O ATOM 0 H SER A 118 -5.945 -10.205 2.382 1.00 0.00 H new ATOM 0 HA SER A 118 -5.484 -12.678 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.753 -13.830 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.710 -13.055 3.225 1.00 0.00 H new ATOM 0 HG SER A 118 -8.467 -11.687 1.784 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.924 -13.546 2.130 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.804 -13.908 1.266 1.00 0.00 C ATOM 1444 C HIS A 119 -3.172 -13.721 -0.203 1.00 0.00 C ATOM 1445 O HIS A 119 -4.202 -14.220 -0.659 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.405 -15.364 1.533 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.207 -15.834 0.761 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.108 -16.396 -0.468 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 0.078 -15.780 1.257 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 0.218 -16.665 -0.688 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 0.913 -16.281 0.368 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.162 -14.260 2.818 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.960 -13.255 1.488 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.204 -15.483 2.598 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.251 -16.009 1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.357 -15.388 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.628 -17.117 -1.579 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.924 -16.359 0.477 1.00 0.00 H new ATOM 1459 N SER A 120 -2.321 -13.009 -0.934 1.00 0.00 N ATOM 1460 CA SER A 120 -2.575 -12.698 -2.333 1.00 0.00 C ATOM 1461 C SER A 120 -2.512 -13.960 -3.189 1.00 0.00 C ATOM 1462 O SER A 120 -1.432 -14.414 -3.570 1.00 0.00 O ATOM 1463 CB SER A 120 -1.556 -11.669 -2.833 1.00 0.00 C ATOM 1464 OG SER A 120 -1.800 -11.304 -4.179 1.00 0.00 O ATOM 0 H SER A 120 -1.443 -12.634 -0.575 1.00 0.00 H new ATOM 0 HA SER A 120 -3.577 -12.278 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.595 -10.781 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.550 -12.079 -2.743 1.00 0.00 H new ATOM 0 HG SER A 120 -1.365 -10.447 -4.369 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.675 -14.533 -3.469 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.757 -15.727 -4.294 1.00 0.00 C ATOM 1472 C ARG A 121 -3.994 -15.359 -5.752 1.00 0.00 C ATOM 1473 O ARG A 121 -5.121 -15.418 -6.244 1.00 0.00 O ATOM 1474 CB ARG A 121 -4.873 -16.653 -3.815 1.00 0.00 C ATOM 1475 CG ARG A 121 -4.661 -17.220 -2.422 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.608 -18.378 -2.162 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.427 -19.444 -3.145 1.00 0.00 N ATOM 1478 CZ ARG A 121 -6.351 -20.351 -3.443 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -7.535 -20.306 -2.850 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -6.104 -21.295 -4.339 1.00 0.00 N ATOM 0 H ARG A 121 -4.575 -14.188 -3.135 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.805 -16.251 -4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.815 -16.106 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.971 -17.479 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.630 -17.556 -2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.821 -16.439 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.438 -18.772 -1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.638 -18.022 -2.194 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.533 -19.495 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.736 -19.576 -2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.246 -21.001 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.198 -21.330 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.820 -21.987 -4.561 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.933 -14.970 -6.436 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.017 -14.639 -7.847 1.00 0.00 C ATOM 1495 C ASN A 122 -1.774 -15.113 -8.582 1.00 0.00 C ATOM 1496 O ASN A 122 -0.792 -15.513 -7.957 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.221 -13.132 -8.054 1.00 0.00 C ATOM 1498 CG ASN A 122 -2.232 -12.275 -7.279 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -1.096 -12.674 -7.018 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -2.660 -11.082 -6.900 1.00 0.00 N ATOM 0 H ASN A 122 -2.000 -14.875 -6.035 1.00 0.00 H new ATOM 0 HA ASN A 122 -3.884 -15.155 -8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.133 -12.904 -9.116 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.234 -12.866 -7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -2.043 -10.462 -6.375 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -3.607 -10.782 -7.133 1.00 0.00 H new ATOM 1507 N ASP A 123 -1.824 -15.090 -9.900 1.00 0.00 N ATOM 1508 CA ASP A 123 -0.694 -15.535 -10.708 1.00 0.00 C ATOM 1509 C ASP A 123 0.434 -14.513 -10.657 1.00 0.00 C ATOM 1510 O ASP A 123 1.599 -14.860 -10.470 1.00 0.00 O ATOM 1511 CB ASP A 123 -1.130 -15.783 -12.157 1.00 0.00 C ATOM 1512 CG ASP A 123 -2.152 -16.898 -12.269 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -1.747 -18.077 -12.332 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -3.368 -16.602 -12.279 1.00 0.00 O ATOM 0 H ASP A 123 -2.630 -14.770 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.327 -16.475 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -1.550 -14.866 -12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -0.256 -16.032 -12.759 1.00 0.00 H new ATOM 1519 N MET A 124 0.078 -13.247 -10.803 1.00 0.00 N ATOM 1520 CA MET A 124 1.057 -12.172 -10.770 1.00 0.00 C ATOM 1521 C MET A 124 0.480 -10.934 -10.083 1.00 0.00 C ATOM 1522 O MET A 124 -0.274 -10.167 -10.678 1.00 0.00 O ATOM 1523 CB MET A 124 1.544 -11.832 -12.188 1.00 0.00 C ATOM 1524 CG MET A 124 0.427 -11.571 -13.188 1.00 0.00 C ATOM 1525 SD MET A 124 1.045 -11.100 -14.814 1.00 0.00 S ATOM 1526 CE MET A 124 1.887 -9.567 -14.433 1.00 0.00 C ATOM 0 H MET A 124 -0.884 -12.938 -10.946 1.00 0.00 H new ATOM 0 HA MET A 124 1.915 -12.513 -10.190 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.184 -10.951 -12.138 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.160 -12.653 -12.555 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.187 -12.467 -13.283 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.219 -10.780 -12.806 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.994 -8.975 -15.342 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.307 -9.006 -13.700 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.874 -9.786 -14.025 1.00 0.00 H new ATOM 1536 N CYS A 125 0.827 -10.759 -8.818 1.00 0.00 N ATOM 1537 CA CYS A 125 0.374 -9.601 -8.052 1.00 0.00 C ATOM 1538 C CYS A 125 1.169 -8.356 -8.423 1.00 0.00 C ATOM 1539 O CYS A 125 2.376 -8.421 -8.670 1.00 0.00 O ATOM 1540 CB CYS A 125 0.497 -9.870 -6.544 1.00 0.00 C ATOM 1541 SG CYS A 125 0.378 -8.383 -5.492 1.00 0.00 S ATOM 0 H CYS A 125 1.422 -11.403 -8.296 1.00 0.00 H new ATOM 0 HA CYS A 125 -0.674 -9.428 -8.297 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.284 -10.571 -6.249 1.00 0.00 H new ATOM 0 HB3 CYS A 125 1.452 -10.358 -6.353 1.00 0.00 H new ATOM 1546 N HIS A 126 0.475 -7.229 -8.485 1.00 0.00 N ATOM 1547 CA HIS A 126 1.125 -5.944 -8.646 1.00 0.00 C ATOM 1548 C HIS A 126 1.140 -5.230 -7.310 1.00 0.00 C ATOM 1549 O HIS A 126 0.092 -5.017 -6.700 1.00 0.00 O ATOM 1550 CB HIS A 126 0.409 -5.074 -9.681 1.00 0.00 C ATOM 1551 CG HIS A 126 0.639 -5.498 -11.097 1.00 0.00 C ATOM 1552 ND1 HIS A 126 1.771 -5.156 -11.807 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.128 -6.225 -11.942 1.00 0.00 C ATOM 1554 CE1 HIS A 126 1.689 -5.649 -13.027 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.548 -6.303 -13.136 1.00 0.00 N ATOM 0 H HIS A 126 -0.542 -7.182 -8.426 1.00 0.00 H new ATOM 0 HA HIS A 126 2.141 -6.116 -9.001 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.662 -5.091 -9.477 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.739 -4.042 -9.564 1.00 0.00 H new ATOM 0 HD1 HIS A 126 2.550 -4.607 -11.444 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.090 -6.662 -11.720 1.00 0.00 H new ATOM 0 HE1 HIS A 126 2.430 -5.537 -13.805 1.00 0.00 H new ATOM 1563 N SER A 127 2.323 -4.885 -6.845 1.00 0.00 N ATOM 1564 CA SER A 127 2.469 -4.212 -5.572 1.00 0.00 C ATOM 1565 C SER A 127 1.949 -2.778 -5.647 1.00 0.00 C ATOM 1566 O SER A 127 2.165 -2.078 -6.637 1.00 0.00 O ATOM 1567 CB SER A 127 3.939 -4.242 -5.161 1.00 0.00 C ATOM 1568 OG SER A 127 4.787 -4.063 -6.287 1.00 0.00 O ATOM 0 H SER A 127 3.201 -5.061 -7.333 1.00 0.00 H new ATOM 0 HA SER A 127 1.874 -4.730 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.131 -3.458 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.166 -5.192 -4.678 1.00 0.00 H new ATOM 0 HG SER A 127 4.370 -3.437 -6.915 1.00 0.00 H new ATOM 1574 N LEU A 128 1.240 -2.360 -4.605 1.00 0.00 N ATOM 1575 CA LEU A 128 0.706 -1.010 -4.541 1.00 0.00 C ATOM 1576 C LEU A 128 1.843 -0.014 -4.374 1.00 0.00 C ATOM 1577 O LEU A 128 2.531 -0.010 -3.351 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.281 -0.876 -3.379 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.012 0.466 -3.297 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.925 0.661 -4.499 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.806 0.560 -2.005 1.00 0.00 C ATOM 0 H LEU A 128 1.023 -2.939 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 128 0.176 -0.800 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.022 -1.671 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.258 -1.036 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.266 1.261 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.433 1.622 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.332 0.640 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.664 -0.139 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.320 1.520 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.539 -0.246 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.129 0.473 -1.155 1.00 0.00 H new ATOM 1593 N GLY A 129 2.037 0.813 -5.384 1.00 0.00 N ATOM 1594 CA GLY A 129 3.109 1.777 -5.366 1.00 0.00 C ATOM 1595 C GLY A 129 2.627 3.147 -4.959 1.00 0.00 C ATOM 1596 O GLY A 129 1.674 3.674 -5.538 1.00 0.00 O ATOM 0 H GLY A 129 1.462 0.833 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.884 1.445 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.565 1.831 -6.355 1.00 0.00 H new ATOM 1600 N LEU A 130 3.275 3.717 -3.961 1.00 0.00 N ATOM 1601 CA LEU A 130 2.941 5.049 -3.501 1.00 0.00 C ATOM 1602 C LEU A 130 4.152 5.960 -3.656 1.00 0.00 C ATOM 1603 O LEU A 130 5.244 5.652 -3.179 1.00 0.00 O ATOM 1604 CB LEU A 130 2.475 5.008 -2.044 1.00 0.00 C ATOM 1605 CG LEU A 130 2.131 6.364 -1.420 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.018 7.054 -2.191 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.736 6.185 0.040 1.00 0.00 C ATOM 0 H LEU A 130 4.040 3.274 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 130 2.124 5.444 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.597 4.366 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.256 4.540 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 130 3.017 6.997 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.794 8.014 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.335 7.215 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.125 6.429 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.494 7.156 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.866 5.532 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.565 5.740 0.589 1.00 0.00 H new ATOM 1619 N THR A 131 3.961 7.058 -4.362 1.00 0.00 N ATOM 1620 CA THR A 131 5.018 8.027 -4.573 1.00 0.00 C ATOM 1621 C THR A 131 4.686 9.328 -3.852 1.00 0.00 C ATOM 1622 O THR A 131 3.775 10.052 -4.251 1.00 0.00 O ATOM 1623 CB THR A 131 5.212 8.293 -6.076 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.477 7.050 -6.743 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.355 9.267 -6.326 1.00 0.00 C ATOM 0 H THR A 131 3.074 7.302 -4.803 1.00 0.00 H new ATOM 0 HA THR A 131 5.946 7.622 -4.168 1.00 0.00 H new ATOM 0 HB THR A 131 4.300 8.743 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.600 7.213 -7.702 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.464 9.432 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.140 10.215 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.280 8.852 -5.927 1.00 0.00 H new ATOM 1633 N CYS A 132 5.407 9.613 -2.781 1.00 0.00 N ATOM 1634 CA CYS A 132 5.148 10.811 -1.999 1.00 0.00 C ATOM 1635 C CYS A 132 6.206 11.868 -2.282 1.00 0.00 C ATOM 1636 O CYS A 132 7.324 11.546 -2.688 1.00 0.00 O ATOM 1637 CB CYS A 132 5.120 10.462 -0.511 1.00 0.00 C ATOM 1638 SG CYS A 132 3.990 9.091 -0.106 1.00 0.00 S ATOM 0 H CYS A 132 6.172 9.035 -2.434 1.00 0.00 H new ATOM 0 HA CYS A 132 4.177 11.217 -2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.128 10.199 -0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.825 11.345 0.056 1.00 0.00 H new ATOM 1643 N LEU A 133 5.836 13.130 -2.107 1.00 0.00 N ATOM 1644 CA LEU A 133 6.760 14.232 -2.315 1.00 0.00 C ATOM 1645 C LEU A 133 7.838 14.208 -1.234 1.00 0.00 C ATOM 1646 O LEU A 133 7.614 14.664 -0.112 1.00 0.00 O ATOM 1647 CB LEU A 133 5.988 15.556 -2.291 1.00 0.00 C ATOM 1648 CG LEU A 133 6.570 16.695 -3.139 1.00 0.00 C ATOM 1649 CD1 LEU A 133 5.582 17.852 -3.207 1.00 0.00 C ATOM 1650 CD2 LEU A 133 7.901 17.177 -2.580 1.00 0.00 C ATOM 0 H LEU A 133 4.899 13.414 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 133 7.245 14.132 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.969 15.365 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.924 15.897 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 133 6.746 16.311 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 133 6.004 18.656 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.651 17.509 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.383 18.220 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.287 17.984 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.758 17.541 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.613 16.352 -2.573 1.00 0.00 H new ATOM 1662 N GLU A 134 8.993 13.652 -1.577 1.00 0.00 N ATOM 1663 CA GLU A 134 10.091 13.499 -0.630 1.00 0.00 C ATOM 1664 C GLU A 134 10.680 14.853 -0.258 1.00 0.00 C ATOM 1665 O GLU A 134 11.403 15.439 -1.090 1.00 0.00 O ATOM 1666 CB GLU A 134 11.187 12.602 -1.214 1.00 0.00 C ATOM 1667 CG GLU A 134 10.697 11.235 -1.665 1.00 0.00 C ATOM 1668 CD GLU A 134 11.818 10.366 -2.190 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.376 10.700 -3.259 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.137 9.345 -1.547 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.434 15.322 0.870 1.00 0.00 O ATOM 0 H GLU A 134 9.195 13.297 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 134 9.691 13.031 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.643 13.111 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.968 12.467 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.212 10.732 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.943 11.360 -2.442 1.00 0.00 H new