USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 667 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 3 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.058) USER MOD Single : A 4 HIS : no HD1:sc= -0.169 X(o=-0.17,f=0.024) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.67) USER MOD Single : A -2 GLY N :NH3+ -133:sc= 0.0182 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -59:sc= 1.25 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 1.32 (180deg=1.14) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -60:sc= 1.16 USER MOD Single : A 28 ASN : amide:sc= -0.0888 K(o=-0.089,f=-1.7!) USER MOD Single : A 29 SER OG : rot 84:sc= 0.117 USER MOD Single : A 32 HIS : no HE2:sc= 0.0553 X(o=0.055,f=-0.26) USER MOD Single : A 37 ASN : amide:sc= 1.07 K(o=1.1,f=-0.23) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.127 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.581 F(o=-1.1,f=-0.58) USER MOD Single : A 59 THR OG1 : rot 155:sc= 0.0666 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.084 USER MOD Single : A 66 SER OG : rot 180:sc= 0.161 USER MOD Single : A 68 SER OG : rot -52:sc= 0.446 USER MOD Single : A 70 LYS NZ :NH3+ -107:sc= 1.27 (180deg=-0.443) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= 0.954 K(o=0.95,f=-4.8!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -12.026 -12.844 10.978 1.00 0.00 N ATOM 2 CA GLY A -2 -11.425 -14.073 10.406 1.00 0.00 C ATOM 3 C GLY A -2 -10.034 -13.823 9.856 1.00 0.00 C ATOM 4 O GLY A -2 -9.286 -13.020 10.415 1.00 0.00 O ATOM 0 H1 GLY A -2 -12.437 -13.059 11.909 1.00 0.00 H new ATOM 0 H2 GLY A -2 -11.292 -12.115 11.084 1.00 0.00 H new ATOM 0 H3 GLY A -2 -12.772 -12.494 10.343 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -11.378 -14.845 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -12.066 -14.454 9.611 1.00 0.00 H new ATOM 10 N PRO A -1 -9.655 -14.501 8.761 1.00 0.00 N ATOM 11 CA PRO A -1 -8.337 -14.334 8.143 1.00 0.00 C ATOM 12 C PRO A -1 -8.212 -13.021 7.378 1.00 0.00 C ATOM 13 O PRO A -1 -9.217 -12.414 7.001 1.00 0.00 O ATOM 14 CB PRO A -1 -8.250 -15.511 7.174 1.00 0.00 C ATOM 15 CG PRO A -1 -9.661 -15.824 6.826 1.00 0.00 C ATOM 16 CD PRO A -1 -10.481 -15.493 8.044 1.00 0.00 C ATOM 0 HA PRO A -1 -7.543 -14.309 8.889 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -7.673 -15.251 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A -1 -7.757 -16.367 7.635 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -9.988 -15.239 5.966 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -9.771 -16.875 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A -1 -11.454 -15.083 7.773 1.00 0.00 H new ATOM 0 HD3 PRO A -1 -10.666 -16.377 8.655 1.00 0.00 H new ATOM 24 N GLU A 1 -6.980 -12.594 7.143 1.00 0.00 N ATOM 25 CA GLU A 1 -6.732 -11.378 6.389 1.00 0.00 C ATOM 26 C GLU A 1 -5.938 -11.689 5.124 1.00 0.00 C ATOM 27 O GLU A 1 -4.764 -12.056 5.177 1.00 0.00 O ATOM 28 CB GLU A 1 -6.002 -10.330 7.246 1.00 0.00 C ATOM 29 CG GLU A 1 -4.683 -10.804 7.836 1.00 0.00 C ATOM 30 CD GLU A 1 -3.619 -9.728 7.811 1.00 0.00 C ATOM 31 OE1 GLU A 1 -3.376 -9.098 8.860 1.00 0.00 O ATOM 32 OE2 GLU A 1 -3.014 -9.504 6.740 1.00 0.00 O ATOM 0 H GLU A 1 -6.138 -13.072 7.464 1.00 0.00 H new ATOM 0 HA GLU A 1 -7.695 -10.957 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.816 -9.446 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -6.659 -10.023 8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -4.844 -11.128 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -4.331 -11.672 7.279 1.00 0.00 H new ATOM 39 N LEU A 2 -6.595 -11.584 3.988 1.00 0.00 N ATOM 40 CA LEU A 2 -5.929 -11.756 2.712 1.00 0.00 C ATOM 41 C LEU A 2 -5.569 -10.389 2.156 1.00 0.00 C ATOM 42 O LEU A 2 -6.237 -9.871 1.261 1.00 0.00 O ATOM 43 CB LEU A 2 -6.825 -12.527 1.741 1.00 0.00 C ATOM 44 CG LEU A 2 -7.136 -13.968 2.163 1.00 0.00 C ATOM 45 CD1 LEU A 2 -8.627 -14.156 2.381 1.00 0.00 C ATOM 46 CD2 LEU A 2 -6.620 -14.951 1.127 1.00 0.00 C ATOM 0 H LEU A 2 -7.592 -11.380 3.921 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.017 -12.337 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.764 -11.986 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.346 -12.545 0.762 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.627 -14.163 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.824 -15.186 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.968 -13.479 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.160 -13.938 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.850 -15.968 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.098 -14.753 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.541 -14.838 1.024 1.00 0.00 H new ATOM 58 N TYR A 3 -4.526 -9.798 2.725 1.00 0.00 N ATOM 59 CA TYR A 3 -4.123 -8.443 2.383 1.00 0.00 C ATOM 60 C TYR A 3 -3.619 -8.362 0.952 1.00 0.00 C ATOM 61 O TYR A 3 -2.718 -9.100 0.548 1.00 0.00 O ATOM 62 CB TYR A 3 -3.040 -7.948 3.342 1.00 0.00 C ATOM 63 CG TYR A 3 -3.179 -6.491 3.713 1.00 0.00 C ATOM 64 CD1 TYR A 3 -3.683 -6.117 4.951 1.00 0.00 C ATOM 65 CD2 TYR A 3 -2.806 -5.491 2.824 1.00 0.00 C ATOM 66 CE1 TYR A 3 -3.809 -4.785 5.293 1.00 0.00 C ATOM 67 CE2 TYR A 3 -2.928 -4.159 3.160 1.00 0.00 C ATOM 68 CZ TYR A 3 -3.432 -3.811 4.395 1.00 0.00 C ATOM 69 OH TYR A 3 -3.559 -2.484 4.733 1.00 0.00 O ATOM 0 H TYR A 3 -3.940 -10.242 3.432 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.002 -7.804 2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.069 -8.550 4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.063 -8.106 2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.981 -6.878 5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.414 -5.761 1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -4.201 -4.508 6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.630 -3.393 2.459 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.867 -1.962 4.276 1.00 0.00 H new ATOM 79 N HIS A 4 -4.217 -7.466 0.194 1.00 0.00 N ATOM 80 CA HIS A 4 -3.834 -7.237 -1.183 1.00 0.00 C ATOM 81 C HIS A 4 -3.668 -5.749 -1.427 1.00 0.00 C ATOM 82 O HIS A 4 -4.293 -4.935 -0.754 1.00 0.00 O ATOM 83 CB HIS A 4 -4.893 -7.807 -2.124 1.00 0.00 C ATOM 84 CG HIS A 4 -4.698 -9.259 -2.421 1.00 0.00 C ATOM 85 ND1 HIS A 4 -3.939 -9.725 -3.471 1.00 0.00 N ATOM 86 CD2 HIS A 4 -5.151 -10.355 -1.773 1.00 0.00 C ATOM 87 CE1 HIS A 4 -3.933 -11.044 -3.454 1.00 0.00 C ATOM 88 NE2 HIS A 4 -4.659 -11.454 -2.431 1.00 0.00 N ATOM 0 H HIS A 4 -4.984 -6.875 0.516 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.886 -7.739 -1.378 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.878 -7.663 -1.681 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.878 -7.247 -3.059 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.784 -10.364 -0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.420 -11.681 -4.159 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.827 -12.426 -2.172 1.00 0.00 H new ATOM 97 N TYR A 5 -2.820 -5.390 -2.374 1.00 0.00 N ATOM 98 CA TYR A 5 -2.632 -3.995 -2.720 1.00 0.00 C ATOM 99 C TYR A 5 -2.611 -3.828 -4.235 1.00 0.00 C ATOM 100 O TYR A 5 -2.040 -4.650 -4.953 1.00 0.00 O ATOM 101 CB TYR A 5 -1.351 -3.439 -2.070 1.00 0.00 C ATOM 102 CG TYR A 5 -0.090 -3.596 -2.892 1.00 0.00 C ATOM 103 CD1 TYR A 5 0.578 -4.813 -2.955 1.00 0.00 C ATOM 104 CD2 TYR A 5 0.440 -2.520 -3.596 1.00 0.00 C ATOM 105 CE1 TYR A 5 1.735 -4.952 -3.696 1.00 0.00 C ATOM 106 CE2 TYR A 5 1.595 -2.655 -4.339 1.00 0.00 C ATOM 107 CZ TYR A 5 2.238 -3.870 -4.385 1.00 0.00 C ATOM 108 OH TYR A 5 3.392 -4.004 -5.123 1.00 0.00 O ATOM 0 H TYR A 5 -2.253 -6.043 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.471 -3.419 -2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.499 -2.380 -1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.204 -3.936 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.186 -5.663 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.060 -1.564 -3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.243 -5.904 -3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.992 -1.810 -4.882 1.00 0.00 H new ATOM 0 HH TYR A 5 3.610 -3.148 -5.548 1.00 0.00 H new ATOM 118 N GLN A 6 -3.258 -2.784 -4.717 1.00 0.00 N ATOM 119 CA GLN A 6 -3.325 -2.519 -6.143 1.00 0.00 C ATOM 120 C GLN A 6 -2.554 -1.253 -6.479 1.00 0.00 C ATOM 121 O GLN A 6 -2.917 -0.161 -6.036 1.00 0.00 O ATOM 122 CB GLN A 6 -4.787 -2.378 -6.594 1.00 0.00 C ATOM 123 CG GLN A 6 -4.944 -2.043 -8.073 1.00 0.00 C ATOM 124 CD GLN A 6 -4.265 -3.057 -8.972 1.00 0.00 C ATOM 125 OE1 GLN A 6 -3.127 -2.865 -9.396 1.00 0.00 O ATOM 126 NE2 GLN A 6 -4.962 -4.138 -9.271 1.00 0.00 N ATOM 0 H GLN A 6 -3.748 -2.101 -4.139 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.875 -3.359 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.314 -3.309 -6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.267 -1.599 -6.001 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.004 -1.995 -8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.526 -1.055 -8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.904 -4.257 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.559 -4.854 -9.876 1.00 0.00 H new ATOM 135 N GLU A 7 -1.488 -1.399 -7.251 1.00 0.00 N ATOM 136 CA GLU A 7 -0.726 -0.253 -7.703 1.00 0.00 C ATOM 137 C GLU A 7 -1.373 0.315 -8.952 1.00 0.00 C ATOM 138 O GLU A 7 -0.978 0.010 -10.076 1.00 0.00 O ATOM 139 CB GLU A 7 0.733 -0.634 -7.967 1.00 0.00 C ATOM 140 CG GLU A 7 1.701 -0.015 -6.974 1.00 0.00 C ATOM 141 CD GLU A 7 3.060 -0.685 -6.969 1.00 0.00 C ATOM 142 OE1 GLU A 7 3.719 -0.690 -5.907 1.00 0.00 O ATOM 143 OE2 GLU A 7 3.480 -1.210 -8.021 1.00 0.00 O ATOM 0 H GLU A 7 -1.134 -2.299 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.727 0.507 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.831 -1.719 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.007 -0.322 -8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.825 1.042 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.271 -0.072 -5.974 1.00 0.00 H new ATOM 150 N CYS A 8 -2.370 1.146 -8.738 1.00 0.00 N ATOM 151 CA CYS A 8 -3.181 1.666 -9.807 1.00 0.00 C ATOM 152 C CYS A 8 -2.668 3.015 -10.255 1.00 0.00 C ATOM 153 O CYS A 8 -1.921 3.683 -9.546 1.00 0.00 O ATOM 154 CB CYS A 8 -4.624 1.784 -9.336 1.00 0.00 C ATOM 155 SG CYS A 8 -4.836 2.869 -7.892 1.00 0.00 S ATOM 0 H CYS A 8 -2.639 1.479 -7.812 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.131 0.983 -10.655 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.235 2.162 -10.156 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.999 0.790 -9.091 1.00 0.00 H new ATOM 160 N VAL A 9 -3.091 3.404 -11.429 1.00 0.00 N ATOM 161 CA VAL A 9 -2.677 4.647 -12.022 1.00 0.00 C ATOM 162 C VAL A 9 -3.666 5.746 -11.644 1.00 0.00 C ATOM 163 O VAL A 9 -4.835 5.702 -12.026 1.00 0.00 O ATOM 164 CB VAL A 9 -2.578 4.459 -13.541 1.00 0.00 C ATOM 165 CG1 VAL A 9 -2.089 5.716 -14.232 1.00 0.00 C ATOM 166 CG2 VAL A 9 -1.662 3.281 -13.837 1.00 0.00 C ATOM 0 H VAL A 9 -3.737 2.863 -12.004 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.697 4.947 -11.651 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.574 4.253 -13.934 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.033 5.542 -15.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.782 6.534 -14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.101 5.978 -13.854 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.586 3.141 -14.915 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.672 3.478 -13.426 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.071 2.379 -13.382 1.00 0.00 H new ATOM 176 N ARG A 10 -3.184 6.703 -10.859 1.00 0.00 N ATOM 177 CA ARG A 10 -4.035 7.700 -10.204 1.00 0.00 C ATOM 178 C ARG A 10 -5.000 8.392 -11.168 1.00 0.00 C ATOM 179 O ARG A 10 -4.602 8.875 -12.229 1.00 0.00 O ATOM 180 CB ARG A 10 -3.170 8.746 -9.496 1.00 0.00 C ATOM 181 CG ARG A 10 -3.975 9.849 -8.840 1.00 0.00 C ATOM 182 CD ARG A 10 -3.285 10.377 -7.596 1.00 0.00 C ATOM 183 NE ARG A 10 -4.239 10.746 -6.551 1.00 0.00 N ATOM 184 CZ ARG A 10 -3.901 10.964 -5.281 1.00 0.00 C ATOM 185 NH1 ARG A 10 -2.642 10.803 -4.891 1.00 0.00 N ATOM 186 NH2 ARG A 10 -4.821 11.335 -4.401 1.00 0.00 N ATOM 0 H ARG A 10 -2.190 6.813 -10.656 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.644 7.162 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.561 8.251 -8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.483 9.188 -10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.123 10.664 -9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.963 9.472 -8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.602 9.619 -7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.681 11.246 -7.858 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.221 10.842 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.933 10.512 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.384 10.970 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.790 11.454 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.560 11.501 -3.429 1.00 0.00 H new ATOM 200 N GLY A 11 -6.272 8.430 -10.778 1.00 0.00 N ATOM 201 CA GLY A 11 -7.279 9.132 -11.554 1.00 0.00 C ATOM 202 C GLY A 11 -8.074 8.217 -12.456 1.00 0.00 C ATOM 203 O GLY A 11 -9.204 8.535 -12.838 1.00 0.00 O ATOM 0 H GLY A 11 -6.624 7.983 -9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.960 9.645 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.794 9.898 -12.159 1.00 0.00 H new ATOM 207 N THR A 12 -7.497 7.083 -12.797 1.00 0.00 N ATOM 208 CA THR A 12 -8.141 6.159 -13.712 1.00 0.00 C ATOM 209 C THR A 12 -9.026 5.183 -12.951 1.00 0.00 C ATOM 210 O THR A 12 -8.803 4.917 -11.768 1.00 0.00 O ATOM 211 CB THR A 12 -7.113 5.386 -14.565 1.00 0.00 C ATOM 212 OG1 THR A 12 -6.357 4.483 -13.749 1.00 0.00 O ATOM 213 CG2 THR A 12 -6.168 6.350 -15.263 1.00 0.00 C ATOM 0 H THR A 12 -6.585 6.778 -12.456 1.00 0.00 H new ATOM 0 HA THR A 12 -8.759 6.750 -14.388 1.00 0.00 H new ATOM 0 HB THR A 12 -7.660 4.815 -15.315 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.890 4.987 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.450 5.788 -15.860 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.739 7.013 -15.912 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.636 6.942 -14.518 1.00 0.00 H new ATOM 221 N THR A 13 -10.043 4.675 -13.622 1.00 0.00 N ATOM 222 CA THR A 13 -10.964 3.734 -13.016 1.00 0.00 C ATOM 223 C THR A 13 -10.416 2.312 -13.084 1.00 0.00 C ATOM 224 O THR A 13 -10.289 1.732 -14.166 1.00 0.00 O ATOM 225 CB THR A 13 -12.336 3.798 -13.707 1.00 0.00 C ATOM 226 OG1 THR A 13 -12.395 4.956 -14.556 1.00 0.00 O ATOM 227 CG2 THR A 13 -13.456 3.863 -12.681 1.00 0.00 C ATOM 0 H THR A 13 -10.252 4.901 -14.594 1.00 0.00 H new ATOM 0 HA THR A 13 -11.081 4.011 -11.968 1.00 0.00 H new ATOM 0 HB THR A 13 -12.464 2.895 -14.304 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.269 4.994 -14.997 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.417 3.908 -13.194 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.423 2.975 -12.049 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.333 4.753 -12.064 1.00 0.00 H new ATOM 235 N VAL A 14 -10.072 1.765 -11.927 1.00 0.00 N ATOM 236 CA VAL A 14 -9.565 0.410 -11.841 1.00 0.00 C ATOM 237 C VAL A 14 -10.702 -0.589 -11.978 1.00 0.00 C ATOM 238 O VAL A 14 -11.814 -0.341 -11.516 1.00 0.00 O ATOM 239 CB VAL A 14 -8.827 0.160 -10.507 1.00 0.00 C ATOM 240 CG1 VAL A 14 -7.563 0.997 -10.421 1.00 0.00 C ATOM 241 CG2 VAL A 14 -9.718 0.433 -9.314 1.00 0.00 C ATOM 0 H VAL A 14 -10.137 2.246 -11.030 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.855 0.278 -12.658 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.551 -0.894 -10.485 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.062 0.803 -9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.897 0.736 -11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.821 2.054 -10.485 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.163 0.246 -8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.046 1.472 -9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.588 -0.222 -9.352 1.00 0.00 H new ATOM 251 N LEU A 15 -10.425 -1.705 -12.626 1.00 0.00 N ATOM 252 CA LEU A 15 -11.418 -2.750 -12.784 1.00 0.00 C ATOM 253 C LEU A 15 -10.950 -4.018 -12.092 1.00 0.00 C ATOM 254 O LEU A 15 -10.347 -4.896 -12.711 1.00 0.00 O ATOM 255 CB LEU A 15 -11.693 -3.018 -14.266 1.00 0.00 C ATOM 256 CG LEU A 15 -13.024 -2.466 -14.787 1.00 0.00 C ATOM 257 CD1 LEU A 15 -13.383 -3.101 -16.122 1.00 0.00 C ATOM 258 CD2 LEU A 15 -14.132 -2.699 -13.769 1.00 0.00 C ATOM 0 H LEU A 15 -9.521 -1.911 -13.051 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.348 -2.419 -12.323 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.883 -2.587 -14.854 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.672 -4.095 -14.435 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.914 -1.392 -14.938 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.331 -2.695 -16.474 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.602 -2.883 -16.850 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.473 -4.180 -15.999 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.070 -2.301 -14.155 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.239 -3.768 -13.586 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.881 -2.195 -12.836 1.00 0.00 H new ATOM 270 N LEU A 16 -11.222 -4.105 -10.801 1.00 0.00 N ATOM 271 CA LEU A 16 -10.801 -5.249 -10.011 1.00 0.00 C ATOM 272 C LEU A 16 -11.923 -6.269 -9.941 1.00 0.00 C ATOM 273 O LEU A 16 -13.089 -5.906 -9.806 1.00 0.00 O ATOM 274 CB LEU A 16 -10.398 -4.809 -8.604 1.00 0.00 C ATOM 275 CG LEU A 16 -8.931 -4.418 -8.437 1.00 0.00 C ATOM 276 CD1 LEU A 16 -8.811 -3.070 -7.743 1.00 0.00 C ATOM 277 CD2 LEU A 16 -8.190 -5.484 -7.650 1.00 0.00 C ATOM 0 H LEU A 16 -11.734 -3.395 -10.277 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.935 -5.706 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.018 -3.960 -8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.622 -5.619 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.481 -4.336 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.758 -2.810 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.313 -2.308 -8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.275 -3.125 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.145 -5.193 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.645 -5.591 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.247 -6.434 -8.181 1.00 0.00 H new ATOM 289 N LYS A 17 -11.573 -7.535 -10.057 1.00 0.00 N ATOM 290 CA LYS A 17 -12.558 -8.604 -10.018 1.00 0.00 C ATOM 291 C LYS A 17 -12.948 -8.928 -8.582 1.00 0.00 C ATOM 292 O LYS A 17 -12.113 -8.855 -7.677 1.00 0.00 O ATOM 293 CB LYS A 17 -12.002 -9.857 -10.701 1.00 0.00 C ATOM 294 CG LYS A 17 -12.967 -10.493 -11.684 1.00 0.00 C ATOM 295 CD LYS A 17 -13.160 -11.973 -11.394 1.00 0.00 C ATOM 296 CE LYS A 17 -14.568 -12.268 -10.906 1.00 0.00 C ATOM 297 NZ LYS A 17 -14.576 -13.262 -9.800 1.00 0.00 N ATOM 0 H LYS A 17 -10.611 -7.852 -10.180 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.448 -8.269 -10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.082 -9.597 -11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.738 -10.590 -9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.929 -9.983 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.591 -10.366 -12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.959 -12.550 -12.296 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.439 -12.294 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.035 -11.344 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.168 -12.643 -11.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.556 -13.537 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.034 -14.103 -10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.143 -12.842 -8.953 1.00 0.00 H new ATOM 311 N GLU A 18 -14.218 -9.262 -8.382 1.00 0.00 N ATOM 312 CA GLU A 18 -14.705 -9.711 -7.084 1.00 0.00 C ATOM 313 C GLU A 18 -14.028 -11.021 -6.713 1.00 0.00 C ATOM 314 O GLU A 18 -14.165 -12.016 -7.428 1.00 0.00 O ATOM 315 CB GLU A 18 -16.216 -9.939 -7.129 1.00 0.00 C ATOM 316 CG GLU A 18 -17.056 -8.929 -6.376 1.00 0.00 C ATOM 317 CD GLU A 18 -18.503 -8.960 -6.826 1.00 0.00 C ATOM 318 OE1 GLU A 18 -18.744 -8.912 -8.050 1.00 0.00 O ATOM 319 OE2 GLU A 18 -19.406 -9.047 -5.967 1.00 0.00 O ATOM 0 H GLU A 18 -14.933 -9.230 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.477 -8.943 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -16.533 -9.942 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -16.427 -10.930 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.002 -9.135 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.648 -7.930 -6.529 1.00 0.00 H new ATOM 326 N PRO A 19 -13.288 -11.045 -5.598 1.00 0.00 N ATOM 327 CA PRO A 19 -12.673 -12.271 -5.091 1.00 0.00 C ATOM 328 C PRO A 19 -13.718 -13.181 -4.456 1.00 0.00 C ATOM 329 O PRO A 19 -13.401 -14.225 -3.886 1.00 0.00 O ATOM 330 CB PRO A 19 -11.671 -11.768 -4.051 1.00 0.00 C ATOM 331 CG PRO A 19 -12.199 -10.448 -3.604 1.00 0.00 C ATOM 332 CD PRO A 19 -12.982 -9.874 -4.759 1.00 0.00 C ATOM 0 HA PRO A 19 -12.202 -12.866 -5.874 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.589 -12.463 -3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.674 -11.668 -4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.835 -10.564 -2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -11.384 -9.782 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.891 -9.379 -4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.401 -9.132 -5.306 1.00 0.00 H new ATOM 340 N CYS A 20 -14.968 -12.754 -4.573 1.00 0.00 N ATOM 341 CA CYS A 20 -16.116 -13.484 -4.070 1.00 0.00 C ATOM 342 C CYS A 20 -17.361 -12.666 -4.357 1.00 0.00 C ATOM 343 O CYS A 20 -17.299 -11.442 -4.407 1.00 0.00 O ATOM 344 CB CYS A 20 -15.990 -13.775 -2.568 1.00 0.00 C ATOM 345 SG CYS A 20 -16.575 -15.422 -2.069 1.00 0.00 S ATOM 0 H CYS A 20 -15.213 -11.875 -5.029 1.00 0.00 H new ATOM 0 HA CYS A 20 -16.176 -14.450 -4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -14.945 -13.671 -2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -16.551 -13.021 -2.016 1.00 0.00 H new ATOM 350 N PRO A 21 -18.495 -13.329 -4.559 1.00 0.00 N ATOM 351 CA PRO A 21 -19.733 -12.681 -4.974 1.00 0.00 C ATOM 352 C PRO A 21 -20.362 -11.884 -3.840 1.00 0.00 C ATOM 353 O PRO A 21 -20.191 -12.230 -2.663 1.00 0.00 O ATOM 354 CB PRO A 21 -20.632 -13.860 -5.392 1.00 0.00 C ATOM 355 CG PRO A 21 -19.752 -15.068 -5.372 1.00 0.00 C ATOM 356 CD PRO A 21 -18.674 -14.764 -4.381 1.00 0.00 C ATOM 0 HA PRO A 21 -19.577 -11.957 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -21.471 -13.975 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -21.053 -13.699 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -20.313 -15.956 -5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -19.333 -15.264 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -18.973 -15.015 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.759 -15.318 -4.590 1.00 0.00 H new ATOM 364 N SER A 22 -21.057 -10.802 -4.207 1.00 0.00 N ATOM 365 CA SER A 22 -21.734 -9.920 -3.254 1.00 0.00 C ATOM 366 C SER A 22 -20.721 -9.031 -2.532 1.00 0.00 C ATOM 367 O SER A 22 -20.692 -7.814 -2.734 1.00 0.00 O ATOM 368 CB SER A 22 -22.553 -10.734 -2.245 1.00 0.00 C ATOM 369 OG SER A 22 -23.392 -11.669 -2.908 1.00 0.00 O ATOM 0 H SER A 22 -21.165 -10.513 -5.179 1.00 0.00 H new ATOM 0 HA SER A 22 -22.419 -9.280 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 22 -21.882 -11.260 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 22 -23.160 -10.063 -1.637 1.00 0.00 H new ATOM 0 HG SER A 22 -23.903 -12.178 -2.244 1.00 0.00 H new ATOM 375 N GLY A 23 -19.884 -9.658 -1.715 1.00 0.00 N ATOM 376 CA GLY A 23 -18.842 -8.964 -0.994 1.00 0.00 C ATOM 377 C GLY A 23 -19.331 -7.945 0.019 1.00 0.00 C ATOM 378 O GLY A 23 -20.403 -7.353 -0.118 1.00 0.00 O ATOM 0 H GLY A 23 -19.914 -10.662 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.226 -9.700 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.198 -8.458 -1.714 1.00 0.00 H new ATOM 382 N THR A 24 -18.540 -7.768 1.057 1.00 0.00 N ATOM 383 CA THR A 24 -18.734 -6.693 1.999 1.00 0.00 C ATOM 384 C THR A 24 -17.595 -5.696 1.849 1.00 0.00 C ATOM 385 O THR A 24 -16.465 -5.954 2.273 1.00 0.00 O ATOM 386 CB THR A 24 -18.797 -7.215 3.448 1.00 0.00 C ATOM 387 OG1 THR A 24 -19.867 -8.165 3.574 1.00 0.00 O ATOM 388 CG2 THR A 24 -19.004 -6.075 4.437 1.00 0.00 C ATOM 0 H THR A 24 -17.743 -8.369 1.269 1.00 0.00 H new ATOM 0 HA THR A 24 -19.687 -6.208 1.786 1.00 0.00 H new ATOM 0 HB THR A 24 -17.847 -7.697 3.678 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.903 -8.496 4.496 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.044 -6.475 5.450 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.177 -5.370 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.940 -5.563 4.212 1.00 0.00 H new ATOM 396 N TYR A 25 -17.892 -4.586 1.196 1.00 0.00 N ATOM 397 CA TYR A 25 -16.907 -3.555 0.945 1.00 0.00 C ATOM 398 C TYR A 25 -16.674 -2.737 2.210 1.00 0.00 C ATOM 399 O TYR A 25 -17.540 -1.981 2.652 1.00 0.00 O ATOM 400 CB TYR A 25 -17.365 -2.660 -0.214 1.00 0.00 C ATOM 401 CG TYR A 25 -16.315 -1.668 -0.675 1.00 0.00 C ATOM 402 CD1 TYR A 25 -16.073 -0.503 0.042 1.00 0.00 C ATOM 403 CD2 TYR A 25 -15.565 -1.897 -1.823 1.00 0.00 C ATOM 404 CE1 TYR A 25 -15.113 0.400 -0.364 1.00 0.00 C ATOM 405 CE2 TYR A 25 -14.604 -0.995 -2.236 1.00 0.00 C ATOM 406 CZ TYR A 25 -14.383 0.151 -1.502 1.00 0.00 C ATOM 407 OH TYR A 25 -13.428 1.052 -1.908 1.00 0.00 O ATOM 0 H TYR A 25 -18.820 -4.377 0.827 1.00 0.00 H new ATOM 0 HA TYR A 25 -15.963 -4.021 0.662 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -17.650 -3.290 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.257 -2.114 0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.647 -0.301 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -15.736 -2.793 -2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.936 1.298 0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.028 -1.186 -3.130 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.850 1.918 -2.086 1.00 0.00 H new ATOM 417 N GLU A 26 -15.500 -2.906 2.788 1.00 0.00 N ATOM 418 CA GLU A 26 -15.138 -2.208 4.009 1.00 0.00 C ATOM 419 C GLU A 26 -14.081 -1.148 3.721 1.00 0.00 C ATOM 420 O GLU A 26 -12.896 -1.334 4.002 1.00 0.00 O ATOM 421 CB GLU A 26 -14.623 -3.208 5.045 1.00 0.00 C ATOM 422 CG GLU A 26 -15.692 -4.168 5.539 1.00 0.00 C ATOM 423 CD GLU A 26 -15.109 -5.353 6.279 1.00 0.00 C ATOM 424 OE1 GLU A 26 -14.702 -6.329 5.625 1.00 0.00 O ATOM 425 OE2 GLU A 26 -15.038 -5.306 7.525 1.00 0.00 O ATOM 0 H GLU A 26 -14.774 -3.526 2.428 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.022 -1.711 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.803 -3.781 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.215 -2.662 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.379 -3.635 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.276 -4.525 4.690 1.00 0.00 H new ATOM 432 N GLY A 27 -14.510 -0.034 3.154 1.00 0.00 N ATOM 433 CA GLY A 27 -13.580 1.017 2.805 1.00 0.00 C ATOM 434 C GLY A 27 -14.192 2.394 2.931 1.00 0.00 C ATOM 435 O GLY A 27 -15.055 2.617 3.781 1.00 0.00 O ATOM 0 H GLY A 27 -15.485 0.162 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.704 0.952 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.235 0.868 1.782 1.00 0.00 H new ATOM 439 N ASN A 28 -13.756 3.316 2.080 1.00 0.00 N ATOM 440 CA ASN A 28 -14.247 4.691 2.121 1.00 0.00 C ATOM 441 C ASN A 28 -15.031 5.025 0.857 1.00 0.00 C ATOM 442 O ASN A 28 -16.232 5.285 0.916 1.00 0.00 O ATOM 443 CB ASN A 28 -13.083 5.672 2.285 1.00 0.00 C ATOM 444 CG ASN A 28 -13.487 6.950 2.998 1.00 0.00 C ATOM 445 OD1 ASN A 28 -14.644 7.128 3.389 1.00 0.00 O ATOM 446 ND2 ASN A 28 -12.536 7.856 3.164 1.00 0.00 N ATOM 0 H ASN A 28 -13.063 3.138 1.353 1.00 0.00 H new ATOM 0 HA ASN A 28 -14.913 4.784 2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.282 5.188 2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.682 5.921 1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.748 8.739 3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.591 7.671 2.827 1.00 0.00 H new ATOM 453 N SER A 29 -14.349 5.024 -0.280 1.00 0.00 N ATOM 454 CA SER A 29 -14.988 5.291 -1.558 1.00 0.00 C ATOM 455 C SER A 29 -15.823 4.091 -2.008 1.00 0.00 C ATOM 456 O SER A 29 -15.287 3.003 -2.214 1.00 0.00 O ATOM 457 CB SER A 29 -13.916 5.608 -2.598 1.00 0.00 C ATOM 458 OG SER A 29 -12.635 5.677 -1.987 1.00 0.00 O ATOM 0 H SER A 29 -13.348 4.840 -0.342 1.00 0.00 H new ATOM 0 HA SER A 29 -15.657 6.145 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.915 4.842 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.144 6.555 -3.087 1.00 0.00 H new ATOM 0 HG SER A 29 -12.261 4.775 -1.909 1.00 0.00 H new ATOM 464 N PRO A 30 -17.145 4.271 -2.148 1.00 0.00 N ATOM 465 CA PRO A 30 -18.057 3.193 -2.553 1.00 0.00 C ATOM 466 C PRO A 30 -17.690 2.602 -3.912 1.00 0.00 C ATOM 467 O PRO A 30 -17.542 3.328 -4.898 1.00 0.00 O ATOM 468 CB PRO A 30 -19.424 3.882 -2.624 1.00 0.00 C ATOM 469 CG PRO A 30 -19.285 5.103 -1.781 1.00 0.00 C ATOM 470 CD PRO A 30 -17.857 5.539 -1.926 1.00 0.00 C ATOM 0 HA PRO A 30 -18.025 2.355 -1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -19.684 4.139 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -20.214 3.231 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -19.968 5.886 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.525 4.889 -0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.728 6.226 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -17.499 6.052 -1.033 1.00 0.00 H new ATOM 478 N PHE A 31 -17.547 1.283 -3.962 1.00 0.00 N ATOM 479 CA PHE A 31 -17.182 0.609 -5.200 1.00 0.00 C ATOM 480 C PHE A 31 -18.366 0.539 -6.158 1.00 0.00 C ATOM 481 O PHE A 31 -19.463 1.017 -5.858 1.00 0.00 O ATOM 482 CB PHE A 31 -16.615 -0.796 -4.927 1.00 0.00 C ATOM 483 CG PHE A 31 -17.624 -1.846 -4.520 1.00 0.00 C ATOM 484 CD1 PHE A 31 -18.712 -1.535 -3.717 1.00 0.00 C ATOM 485 CD2 PHE A 31 -17.462 -3.159 -4.936 1.00 0.00 C ATOM 486 CE1 PHE A 31 -19.615 -2.513 -3.342 1.00 0.00 C ATOM 487 CE2 PHE A 31 -18.362 -4.141 -4.566 1.00 0.00 C ATOM 488 CZ PHE A 31 -19.440 -3.816 -3.765 1.00 0.00 C ATOM 0 H PHE A 31 -17.678 0.662 -3.163 1.00 0.00 H new ATOM 0 HA PHE A 31 -16.398 1.199 -5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.102 -1.141 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.864 -0.717 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -18.855 -0.519 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -16.619 -3.419 -5.559 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.458 -2.257 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.223 -5.158 -4.902 1.00 0.00 H new ATOM 0 HZ PHE A 31 -20.145 -4.580 -3.470 1.00 0.00 H new ATOM 498 N HIS A 32 -18.137 -0.052 -7.313 1.00 0.00 N ATOM 499 CA HIS A 32 -19.170 -0.161 -8.330 1.00 0.00 C ATOM 500 C HIS A 32 -19.166 -1.555 -8.927 1.00 0.00 C ATOM 501 O HIS A 32 -18.338 -1.859 -9.784 1.00 0.00 O ATOM 502 CB HIS A 32 -18.947 0.880 -9.428 1.00 0.00 C ATOM 503 CG HIS A 32 -19.955 1.987 -9.425 1.00 0.00 C ATOM 504 ND1 HIS A 32 -20.227 2.761 -8.316 1.00 0.00 N ATOM 505 CD2 HIS A 32 -20.753 2.456 -10.411 1.00 0.00 C ATOM 506 CE1 HIS A 32 -21.144 3.659 -8.622 1.00 0.00 C ATOM 507 NE2 HIS A 32 -21.480 3.496 -9.886 1.00 0.00 N ATOM 0 H HIS A 32 -17.242 -0.466 -7.574 1.00 0.00 H new ATOM 0 HA HIS A 32 -20.139 0.023 -7.865 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -17.951 1.308 -9.313 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -18.970 0.382 -10.398 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -19.788 2.656 -7.402 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -20.808 2.082 -11.423 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -21.550 4.401 -7.951 1.00 0.00 H new ATOM 516 N PRO A 33 -20.081 -2.420 -8.470 1.00 0.00 N ATOM 517 CA PRO A 33 -20.172 -3.798 -8.950 1.00 0.00 C ATOM 518 C PRO A 33 -20.501 -3.848 -10.436 1.00 0.00 C ATOM 519 O PRO A 33 -21.585 -3.442 -10.862 1.00 0.00 O ATOM 520 CB PRO A 33 -21.301 -4.414 -8.122 1.00 0.00 C ATOM 521 CG PRO A 33 -21.516 -3.480 -6.977 1.00 0.00 C ATOM 522 CD PRO A 33 -21.110 -2.120 -7.462 1.00 0.00 C ATOM 0 HA PRO A 33 -19.229 -4.334 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -22.209 -4.521 -8.716 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -21.031 -5.410 -7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -22.559 -3.485 -6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -20.921 -3.779 -6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -21.951 -1.578 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -20.715 -1.505 -6.653 1.00 0.00 H new ATOM 530 N LEU A 34 -19.555 -4.335 -11.217 1.00 0.00 N ATOM 531 CA LEU A 34 -19.675 -4.348 -12.656 1.00 0.00 C ATOM 532 C LEU A 34 -20.315 -5.646 -13.125 1.00 0.00 C ATOM 533 O LEU A 34 -20.634 -6.519 -12.318 1.00 0.00 O ATOM 534 CB LEU A 34 -18.295 -4.160 -13.298 1.00 0.00 C ATOM 535 CG LEU A 34 -17.898 -2.709 -13.614 1.00 0.00 C ATOM 536 CD1 LEU A 34 -17.496 -2.575 -15.073 1.00 0.00 C ATOM 537 CD2 LEU A 34 -19.028 -1.738 -13.294 1.00 0.00 C ATOM 0 H LEU A 34 -18.683 -4.732 -10.868 1.00 0.00 H new ATOM 0 HA LEU A 34 -20.318 -3.523 -12.964 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.544 -4.586 -12.632 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.264 -4.735 -14.223 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.046 -2.456 -12.983 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.218 -1.542 -15.280 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -16.647 -3.227 -15.278 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.334 -2.860 -15.709 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.712 -0.722 -13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.906 -1.992 -13.888 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.276 -1.804 -12.235 1.00 0.00 H new ATOM 549 N ALA A 35 -20.463 -5.776 -14.429 1.00 0.00 N ATOM 550 CA ALA A 35 -21.209 -6.883 -15.019 1.00 0.00 C ATOM 551 C ALA A 35 -20.433 -8.196 -14.969 1.00 0.00 C ATOM 552 O ALA A 35 -21.024 -9.271 -14.885 1.00 0.00 O ATOM 553 CB ALA A 35 -21.584 -6.551 -16.456 1.00 0.00 C ATOM 0 H ALA A 35 -20.074 -5.124 -15.110 1.00 0.00 H new ATOM 0 HA ALA A 35 -22.113 -7.019 -14.426 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -22.140 -7.383 -16.888 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -22.202 -5.653 -16.473 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -20.678 -6.379 -17.038 1.00 0.00 H new ATOM 559 N ASP A 36 -19.114 -8.111 -15.023 1.00 0.00 N ATOM 560 CA ASP A 36 -18.275 -9.306 -15.031 1.00 0.00 C ATOM 561 C ASP A 36 -17.788 -9.646 -13.629 1.00 0.00 C ATOM 562 O ASP A 36 -16.657 -10.103 -13.450 1.00 0.00 O ATOM 563 CB ASP A 36 -17.079 -9.111 -15.964 1.00 0.00 C ATOM 564 CG ASP A 36 -16.772 -10.353 -16.775 1.00 0.00 C ATOM 565 OD1 ASP A 36 -16.482 -10.222 -17.984 1.00 0.00 O ATOM 566 OD2 ASP A 36 -16.823 -11.466 -16.213 1.00 0.00 O ATOM 0 H ASP A 36 -18.599 -7.231 -15.062 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.881 -10.136 -15.394 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -17.280 -8.280 -16.640 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.203 -8.839 -15.375 1.00 0.00 H new ATOM 571 N ASN A 37 -18.659 -9.422 -12.641 1.00 0.00 N ATOM 572 CA ASN A 37 -18.325 -9.632 -11.231 1.00 0.00 C ATOM 573 C ASN A 37 -17.048 -8.882 -10.878 1.00 0.00 C ATOM 574 O ASN A 37 -16.089 -9.452 -10.356 1.00 0.00 O ATOM 575 CB ASN A 37 -18.174 -11.123 -10.908 1.00 0.00 C ATOM 576 CG ASN A 37 -19.398 -11.701 -10.218 1.00 0.00 C ATOM 577 OD1 ASN A 37 -19.980 -12.683 -10.682 1.00 0.00 O ATOM 578 ND2 ASN A 37 -19.803 -11.101 -9.112 1.00 0.00 N ATOM 0 H ASN A 37 -19.611 -9.091 -12.796 1.00 0.00 H new ATOM 0 HA ASN A 37 -19.146 -9.243 -10.629 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.988 -11.673 -11.830 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.301 -11.266 -10.271 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -20.622 -11.449 -8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -19.296 -10.290 -8.757 1.00 0.00 H new ATOM 585 N LYS A 38 -17.040 -7.603 -11.207 1.00 0.00 N ATOM 586 CA LYS A 38 -15.901 -6.741 -10.949 1.00 0.00 C ATOM 587 C LYS A 38 -16.370 -5.501 -10.210 1.00 0.00 C ATOM 588 O LYS A 38 -17.548 -5.381 -9.889 1.00 0.00 O ATOM 589 CB LYS A 38 -15.225 -6.328 -12.262 1.00 0.00 C ATOM 590 CG LYS A 38 -14.593 -7.480 -13.024 1.00 0.00 C ATOM 591 CD LYS A 38 -13.655 -6.981 -14.114 1.00 0.00 C ATOM 592 CE LYS A 38 -12.215 -7.366 -13.822 1.00 0.00 C ATOM 593 NZ LYS A 38 -11.416 -7.521 -15.067 1.00 0.00 N ATOM 0 H LYS A 38 -17.823 -7.133 -11.661 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.178 -7.287 -10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.963 -5.845 -12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.457 -5.586 -12.045 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.042 -8.116 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.375 -8.095 -13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.957 -7.397 -15.075 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.734 -5.897 -14.197 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.757 -6.605 -13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.196 -8.300 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.440 -7.784 -14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.837 -8.265 -15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.412 -6.623 -15.591 1.00 0.00 H new ATOM 607 N PHE A 39 -15.460 -4.586 -9.946 1.00 0.00 N ATOM 608 CA PHE A 39 -15.827 -3.305 -9.375 1.00 0.00 C ATOM 609 C PHE A 39 -14.886 -2.219 -9.864 1.00 0.00 C ATOM 610 O PHE A 39 -13.666 -2.393 -9.875 1.00 0.00 O ATOM 611 CB PHE A 39 -15.864 -3.339 -7.840 1.00 0.00 C ATOM 612 CG PHE A 39 -14.776 -4.144 -7.180 1.00 0.00 C ATOM 613 CD1 PHE A 39 -14.985 -5.475 -6.848 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.557 -3.564 -6.867 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.996 -6.209 -6.221 1.00 0.00 C ATOM 616 CE2 PHE A 39 -12.564 -4.297 -6.243 1.00 0.00 C ATOM 617 CZ PHE A 39 -12.785 -5.620 -5.920 1.00 0.00 C ATOM 0 H PHE A 39 -14.462 -4.705 -10.117 1.00 0.00 H new ATOM 0 HA PHE A 39 -16.838 -3.078 -9.713 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.809 -2.315 -7.470 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -16.828 -3.739 -7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.930 -5.942 -7.082 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.380 -2.527 -7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.171 -7.244 -5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.617 -3.834 -6.009 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.011 -6.194 -5.432 1.00 0.00 H new ATOM 627 N ALA A 40 -15.467 -1.114 -10.300 1.00 0.00 N ATOM 628 CA ALA A 40 -14.696 0.016 -10.785 1.00 0.00 C ATOM 629 C ALA A 40 -14.435 1.007 -9.660 1.00 0.00 C ATOM 630 O ALA A 40 -15.355 1.382 -8.930 1.00 0.00 O ATOM 631 CB ALA A 40 -15.422 0.693 -11.937 1.00 0.00 C ATOM 0 H ALA A 40 -16.477 -0.976 -10.328 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.735 -0.349 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.833 1.539 -12.291 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.559 -0.020 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.395 1.046 -11.596 1.00 0.00 H new ATOM 637 N LEU A 41 -13.184 1.416 -9.516 1.00 0.00 N ATOM 638 CA LEU A 41 -12.799 2.356 -8.473 1.00 0.00 C ATOM 639 C LEU A 41 -11.912 3.454 -9.047 1.00 0.00 C ATOM 640 O LEU A 41 -11.004 3.175 -9.825 1.00 0.00 O ATOM 641 CB LEU A 41 -12.042 1.617 -7.367 1.00 0.00 C ATOM 642 CG LEU A 41 -12.731 1.557 -6.006 1.00 0.00 C ATOM 643 CD1 LEU A 41 -12.695 0.138 -5.464 1.00 0.00 C ATOM 644 CD2 LEU A 41 -12.062 2.505 -5.026 1.00 0.00 C ATOM 0 H LEU A 41 -12.414 1.110 -10.111 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.701 2.809 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.855 0.597 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.070 2.094 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.769 1.864 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.189 0.107 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.211 -0.529 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.659 -0.183 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.567 2.448 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.016 2.224 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.122 3.524 -5.407 1.00 0.00 H new ATOM 656 N THR A 42 -12.180 4.695 -8.683 1.00 0.00 N ATOM 657 CA THR A 42 -11.298 5.785 -9.059 1.00 0.00 C ATOM 658 C THR A 42 -9.991 5.671 -8.287 1.00 0.00 C ATOM 659 O THR A 42 -9.969 5.834 -7.068 1.00 0.00 O ATOM 660 CB THR A 42 -11.937 7.153 -8.779 1.00 0.00 C ATOM 661 OG1 THR A 42 -13.363 7.016 -8.707 1.00 0.00 O ATOM 662 CG2 THR A 42 -11.562 8.150 -9.867 1.00 0.00 C ATOM 0 H THR A 42 -12.993 4.972 -8.133 1.00 0.00 H new ATOM 0 HA THR A 42 -11.112 5.711 -10.130 1.00 0.00 H new ATOM 0 HB THR A 42 -11.563 7.526 -7.826 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.767 7.890 -8.527 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.024 9.114 -9.652 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.479 8.265 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.915 7.786 -10.832 1.00 0.00 H new ATOM 670 N CYS A 43 -8.920 5.349 -8.996 1.00 0.00 N ATOM 671 CA CYS A 43 -7.627 5.142 -8.371 1.00 0.00 C ATOM 672 C CYS A 43 -7.184 6.351 -7.555 1.00 0.00 C ATOM 673 O CYS A 43 -7.020 7.454 -8.084 1.00 0.00 O ATOM 674 CB CYS A 43 -6.570 4.818 -9.414 1.00 0.00 C ATOM 675 SG CYS A 43 -4.895 4.717 -8.718 1.00 0.00 S ATOM 0 H CYS A 43 -8.923 5.225 -10.008 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.738 4.297 -7.691 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.817 3.870 -9.891 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -6.589 5.581 -10.192 1.00 0.00 H new ATOM 680 N THR A 44 -6.990 6.121 -6.268 1.00 0.00 N ATOM 681 CA THR A 44 -6.519 7.145 -5.355 1.00 0.00 C ATOM 682 C THR A 44 -5.924 6.481 -4.116 1.00 0.00 C ATOM 683 O THR A 44 -6.189 5.307 -3.857 1.00 0.00 O ATOM 684 CB THR A 44 -7.654 8.120 -4.951 1.00 0.00 C ATOM 685 OG1 THR A 44 -7.121 9.218 -4.192 1.00 0.00 O ATOM 686 CG2 THR A 44 -8.729 7.411 -4.135 1.00 0.00 C ATOM 0 H THR A 44 -7.155 5.216 -5.827 1.00 0.00 H new ATOM 0 HA THR A 44 -5.754 7.732 -5.863 1.00 0.00 H new ATOM 0 HB THR A 44 -8.108 8.497 -5.867 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.847 9.828 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.511 8.122 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.160 6.603 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.286 7.001 -3.228 1.00 0.00 H new ATOM 694 N SER A 45 -5.101 7.211 -3.376 1.00 0.00 N ATOM 695 CA SER A 45 -4.480 6.680 -2.173 1.00 0.00 C ATOM 696 C SER A 45 -5.536 6.365 -1.117 1.00 0.00 C ATOM 697 O SER A 45 -6.151 7.272 -0.544 1.00 0.00 O ATOM 698 CB SER A 45 -3.462 7.685 -1.640 1.00 0.00 C ATOM 699 OG SER A 45 -3.206 8.693 -2.606 1.00 0.00 O ATOM 0 H SER A 45 -4.848 8.176 -3.590 1.00 0.00 H new ATOM 0 HA SER A 45 -3.966 5.750 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.836 8.139 -0.723 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.534 7.172 -1.386 1.00 0.00 H new ATOM 0 HG SER A 45 -2.553 9.330 -2.249 1.00 0.00 H new ATOM 705 N THR A 46 -5.758 5.078 -0.883 1.00 0.00 N ATOM 706 CA THR A 46 -6.772 4.634 0.055 1.00 0.00 C ATOM 707 C THR A 46 -6.572 3.163 0.419 1.00 0.00 C ATOM 708 O THR A 46 -5.784 2.457 -0.214 1.00 0.00 O ATOM 709 CB THR A 46 -8.195 4.852 -0.531 1.00 0.00 C ATOM 710 OG1 THR A 46 -9.087 5.273 0.507 1.00 0.00 O ATOM 711 CG2 THR A 46 -8.747 3.593 -1.209 1.00 0.00 C ATOM 0 H THR A 46 -5.244 4.322 -1.335 1.00 0.00 H new ATOM 0 HA THR A 46 -6.673 5.230 0.962 1.00 0.00 H new ATOM 0 HB THR A 46 -8.117 5.625 -1.295 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.982 5.411 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.743 3.798 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.088 3.301 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.803 2.783 -0.482 1.00 0.00 H new ATOM 719 N HIS A 47 -7.261 2.718 1.457 1.00 0.00 N ATOM 720 CA HIS A 47 -7.316 1.305 1.784 1.00 0.00 C ATOM 721 C HIS A 47 -8.765 0.903 1.999 1.00 0.00 C ATOM 722 O HIS A 47 -9.550 1.656 2.578 1.00 0.00 O ATOM 723 CB HIS A 47 -6.444 0.967 3.017 1.00 0.00 C ATOM 724 CG HIS A 47 -7.194 0.451 4.218 1.00 0.00 C ATOM 725 ND1 HIS A 47 -7.755 1.274 5.167 1.00 0.00 N ATOM 726 CD2 HIS A 47 -7.477 -0.815 4.610 1.00 0.00 C ATOM 727 CE1 HIS A 47 -8.348 0.541 6.088 1.00 0.00 C ATOM 728 NE2 HIS A 47 -8.198 -0.729 5.773 1.00 0.00 N ATOM 0 H HIS A 47 -7.791 3.318 2.089 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.905 0.733 0.952 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.704 0.222 2.724 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.896 1.863 3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -7.188 -1.723 4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.869 0.918 6.955 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.559 -1.519 6.307 1.00 0.00 H new ATOM 737 N PHE A 48 -9.111 -0.267 1.516 1.00 0.00 N ATOM 738 CA PHE A 48 -10.438 -0.802 1.703 1.00 0.00 C ATOM 739 C PHE A 48 -10.344 -2.300 1.944 1.00 0.00 C ATOM 740 O PHE A 48 -9.242 -2.840 2.052 1.00 0.00 O ATOM 741 CB PHE A 48 -11.351 -0.463 0.507 1.00 0.00 C ATOM 742 CG PHE A 48 -10.853 -0.891 -0.854 1.00 0.00 C ATOM 743 CD1 PHE A 48 -9.811 -0.225 -1.494 1.00 0.00 C ATOM 744 CD2 PHE A 48 -11.459 -1.952 -1.512 1.00 0.00 C ATOM 745 CE1 PHE A 48 -9.397 -0.612 -2.747 1.00 0.00 C ATOM 746 CE2 PHE A 48 -11.039 -2.340 -2.771 1.00 0.00 C ATOM 747 CZ PHE A 48 -10.005 -1.665 -3.387 1.00 0.00 C ATOM 0 H PHE A 48 -8.484 -0.872 0.985 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.895 -0.339 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.324 -0.925 0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.508 0.615 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.323 0.603 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.270 -2.482 -1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.588 -0.085 -3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.519 -3.169 -3.271 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.674 -1.964 -4.371 1.00 0.00 H new ATOM 757 N ALA A 49 -11.474 -2.962 2.058 1.00 0.00 N ATOM 758 CA ALA A 49 -11.490 -4.389 2.309 1.00 0.00 C ATOM 759 C ALA A 49 -12.682 -5.028 1.631 1.00 0.00 C ATOM 760 O ALA A 49 -13.666 -4.357 1.319 1.00 0.00 O ATOM 761 CB ALA A 49 -11.509 -4.667 3.806 1.00 0.00 C ATOM 0 H ALA A 49 -12.397 -2.535 1.981 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.582 -4.826 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.521 -5.744 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.620 -4.237 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.400 -4.220 4.248 1.00 0.00 H new ATOM 767 N PHE A 50 -12.574 -6.315 1.393 1.00 0.00 N ATOM 768 CA PHE A 50 -13.621 -7.064 0.734 1.00 0.00 C ATOM 769 C PHE A 50 -13.790 -8.420 1.387 1.00 0.00 C ATOM 770 O PHE A 50 -12.991 -9.338 1.179 1.00 0.00 O ATOM 771 CB PHE A 50 -13.297 -7.224 -0.743 1.00 0.00 C ATOM 772 CG PHE A 50 -14.463 -7.653 -1.586 1.00 0.00 C ATOM 773 CD1 PHE A 50 -14.709 -8.996 -1.812 1.00 0.00 C ATOM 774 CD2 PHE A 50 -15.307 -6.714 -2.157 1.00 0.00 C ATOM 775 CE1 PHE A 50 -15.768 -9.397 -2.597 1.00 0.00 C ATOM 776 CE2 PHE A 50 -16.370 -7.110 -2.943 1.00 0.00 C ATOM 777 CZ PHE A 50 -16.600 -8.454 -3.162 1.00 0.00 C ATOM 0 H PHE A 50 -11.759 -6.872 1.650 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.558 -6.516 0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -12.916 -6.277 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -12.496 -7.956 -0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -14.063 -9.739 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -15.131 -5.662 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -15.946 -10.448 -2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -17.021 -6.370 -3.386 1.00 0.00 H new ATOM 0 HZ PHE A 50 -17.432 -8.766 -3.776 1.00 0.00 H new ATOM 787 N ALA A 51 -14.821 -8.530 2.188 1.00 0.00 N ATOM 788 CA ALA A 51 -15.138 -9.779 2.854 1.00 0.00 C ATOM 789 C ALA A 51 -16.199 -10.532 2.073 1.00 0.00 C ATOM 790 O ALA A 51 -17.226 -9.968 1.711 1.00 0.00 O ATOM 791 CB ALA A 51 -15.606 -9.525 4.280 1.00 0.00 C ATOM 0 H ALA A 51 -15.463 -7.765 2.399 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.235 -10.388 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.839 -10.475 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -14.817 -9.019 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -16.498 -8.898 4.264 1.00 0.00 H new ATOM 797 N CYS A 52 -15.941 -11.795 1.794 1.00 0.00 N ATOM 798 CA CYS A 52 -16.905 -12.620 1.084 1.00 0.00 C ATOM 799 C CYS A 52 -18.022 -13.022 2.032 1.00 0.00 C ATOM 800 O CYS A 52 -17.887 -12.891 3.248 1.00 0.00 O ATOM 801 CB CYS A 52 -16.230 -13.870 0.507 1.00 0.00 C ATOM 802 SG CYS A 52 -17.374 -15.080 -0.244 1.00 0.00 S ATOM 0 H CYS A 52 -15.076 -12.273 2.046 1.00 0.00 H new ATOM 0 HA CYS A 52 -17.319 -12.044 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.506 -13.560 -0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -15.671 -14.364 1.302 1.00 0.00 H new ATOM 807 N ALA A 53 -19.114 -13.513 1.473 1.00 0.00 N ATOM 808 CA ALA A 53 -20.227 -14.010 2.261 1.00 0.00 C ATOM 809 C ALA A 53 -19.779 -15.153 3.167 1.00 0.00 C ATOM 810 O ALA A 53 -20.407 -15.435 4.189 1.00 0.00 O ATOM 811 CB ALA A 53 -21.334 -14.473 1.335 1.00 0.00 C ATOM 0 H ALA A 53 -19.254 -13.578 0.465 1.00 0.00 H new ATOM 0 HA ALA A 53 -20.600 -13.205 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -22.170 -14.846 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -21.668 -13.637 0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -20.961 -15.269 0.691 1.00 0.00 H new ATOM 817 N ASP A 54 -18.676 -15.794 2.790 1.00 0.00 N ATOM 818 CA ASP A 54 -18.136 -16.917 3.550 1.00 0.00 C ATOM 819 C ASP A 54 -17.295 -16.436 4.734 1.00 0.00 C ATOM 820 O ASP A 54 -16.770 -17.239 5.502 1.00 0.00 O ATOM 821 CB ASP A 54 -17.293 -17.806 2.638 1.00 0.00 C ATOM 822 CG ASP A 54 -17.071 -19.194 3.206 1.00 0.00 C ATOM 823 OD1 ASP A 54 -17.951 -19.699 3.932 1.00 0.00 O ATOM 824 OD2 ASP A 54 -16.009 -19.789 2.919 1.00 0.00 O ATOM 0 H ASP A 54 -18.137 -15.553 1.959 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.974 -17.492 3.944 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -17.783 -17.890 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.327 -17.330 2.467 1.00 0.00 H new ATOM 829 N GLY A 55 -17.162 -15.121 4.874 1.00 0.00 N ATOM 830 CA GLY A 55 -16.420 -14.564 5.992 1.00 0.00 C ATOM 831 C GLY A 55 -14.972 -14.286 5.646 1.00 0.00 C ATOM 832 O GLY A 55 -14.283 -13.552 6.357 1.00 0.00 O ATOM 0 H GLY A 55 -17.554 -14.431 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.897 -13.639 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.463 -15.256 6.833 1.00 0.00 H new ATOM 836 N THR A 56 -14.512 -14.876 4.551 1.00 0.00 N ATOM 837 CA THR A 56 -13.148 -14.691 4.082 1.00 0.00 C ATOM 838 C THR A 56 -12.882 -13.225 3.746 1.00 0.00 C ATOM 839 O THR A 56 -13.505 -12.665 2.840 1.00 0.00 O ATOM 840 CB THR A 56 -12.894 -15.561 2.845 1.00 0.00 C ATOM 841 OG1 THR A 56 -13.971 -16.502 2.691 1.00 0.00 O ATOM 842 CG2 THR A 56 -11.576 -16.305 2.971 1.00 0.00 C ATOM 0 H THR A 56 -15.073 -15.494 3.965 1.00 0.00 H new ATOM 0 HA THR A 56 -12.470 -14.992 4.880 1.00 0.00 H new ATOM 0 HB THR A 56 -12.842 -14.915 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.810 -17.057 1.900 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.417 -16.916 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.761 -15.588 3.069 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.603 -16.946 3.852 1.00 0.00 H new ATOM 850 N ARG A 57 -11.958 -12.613 4.474 1.00 0.00 N ATOM 851 CA ARG A 57 -11.715 -11.185 4.352 1.00 0.00 C ATOM 852 C ARG A 57 -10.465 -10.903 3.531 1.00 0.00 C ATOM 853 O ARG A 57 -9.367 -11.330 3.884 1.00 0.00 O ATOM 854 CB ARG A 57 -11.580 -10.561 5.741 1.00 0.00 C ATOM 855 CG ARG A 57 -12.440 -9.328 5.939 1.00 0.00 C ATOM 856 CD ARG A 57 -11.605 -8.063 5.901 1.00 0.00 C ATOM 857 NE ARG A 57 -12.277 -6.950 6.558 1.00 0.00 N ATOM 858 CZ ARG A 57 -11.714 -6.176 7.484 1.00 0.00 C ATOM 859 NH1 ARG A 57 -10.469 -6.404 7.882 1.00 0.00 N ATOM 860 NH2 ARG A 57 -12.407 -5.186 8.025 1.00 0.00 N ATOM 0 H ARG A 57 -11.364 -13.085 5.156 1.00 0.00 H new ATOM 0 HA ARG A 57 -12.564 -10.740 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.848 -11.305 6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.536 -10.297 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.204 -9.286 5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.960 -9.394 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.646 -8.246 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.393 -7.799 4.865 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.241 -6.751 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.938 -7.176 7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.043 -5.808 8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.370 -5.018 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.978 -4.592 8.734 1.00 0.00 H new ATOM 874 N HIS A 58 -10.641 -10.190 2.428 1.00 0.00 N ATOM 875 CA HIS A 58 -9.522 -9.791 1.584 1.00 0.00 C ATOM 876 C HIS A 58 -9.350 -8.282 1.658 1.00 0.00 C ATOM 877 O HIS A 58 -10.169 -7.538 1.126 1.00 0.00 O ATOM 878 CB HIS A 58 -9.730 -10.198 0.112 1.00 0.00 C ATOM 879 CG HIS A 58 -10.187 -11.616 -0.114 1.00 0.00 C ATOM 880 ND1 HIS A 58 -11.294 -12.277 0.305 1.00 0.00 N flip ATOM 881 CD2 HIS A 58 -9.484 -12.516 -0.886 1.00 0.00 C flip ATOM 882 CE1 HIS A 58 -11.235 -13.545 -0.215 1.00 0.00 C flip ATOM 883 NE2 HIS A 58 -10.133 -13.663 -0.930 1.00 0.00 N flip ATOM 0 H HIS A 58 -11.552 -9.874 2.095 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.633 -10.303 1.952 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.463 -9.524 -0.332 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.793 -10.048 -0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.545 -12.313 -1.379 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.971 -14.321 -0.064 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.834 -14.499 -1.432 1.00 0.00 H new ATOM 892 N THR A 59 -8.312 -7.834 2.339 1.00 0.00 N ATOM 893 CA THR A 59 -8.008 -6.415 2.413 1.00 0.00 C ATOM 894 C THR A 59 -7.480 -5.923 1.072 1.00 0.00 C ATOM 895 O THR A 59 -6.802 -6.662 0.362 1.00 0.00 O ATOM 896 CB THR A 59 -6.966 -6.140 3.506 1.00 0.00 C ATOM 897 OG1 THR A 59 -6.974 -7.217 4.457 1.00 0.00 O ATOM 898 CG2 THR A 59 -7.252 -4.818 4.208 1.00 0.00 C ATOM 0 H THR A 59 -7.663 -8.433 2.850 1.00 0.00 H new ATOM 0 HA THR A 59 -8.926 -5.882 2.660 1.00 0.00 H new ATOM 0 HB THR A 59 -5.982 -6.071 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.099 -7.273 4.895 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.500 -4.645 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.221 -4.006 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.240 -4.856 4.667 1.00 0.00 H new ATOM 906 N TYR A 60 -7.795 -4.688 0.720 1.00 0.00 N ATOM 907 CA TYR A 60 -7.378 -4.136 -0.556 1.00 0.00 C ATOM 908 C TYR A 60 -6.821 -2.736 -0.378 1.00 0.00 C ATOM 909 O TYR A 60 -7.533 -1.816 0.008 1.00 0.00 O ATOM 910 CB TYR A 60 -8.559 -4.091 -1.518 1.00 0.00 C ATOM 911 CG TYR A 60 -8.762 -5.371 -2.289 1.00 0.00 C ATOM 912 CD1 TYR A 60 -9.613 -6.357 -1.811 1.00 0.00 C ATOM 913 CD2 TYR A 60 -8.106 -5.598 -3.492 1.00 0.00 C ATOM 914 CE1 TYR A 60 -9.801 -7.535 -2.501 1.00 0.00 C ATOM 915 CE2 TYR A 60 -8.291 -6.775 -4.192 1.00 0.00 C ATOM 916 CZ TYR A 60 -9.140 -7.738 -3.693 1.00 0.00 C ATOM 917 OH TYR A 60 -9.323 -8.915 -4.382 1.00 0.00 O ATOM 0 H TYR A 60 -8.338 -4.049 1.301 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.598 -4.778 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.466 -3.868 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.411 -3.272 -2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.138 -6.198 -0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.441 -4.843 -3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.462 -8.294 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.773 -6.939 -5.125 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.787 -8.900 -5.202 1.00 0.00 H new ATOM 927 N GLN A 61 -5.544 -2.579 -0.636 1.00 0.00 N ATOM 928 CA GLN A 61 -4.930 -1.270 -0.600 1.00 0.00 C ATOM 929 C GLN A 61 -4.888 -0.678 -1.992 1.00 0.00 C ATOM 930 O GLN A 61 -4.660 -1.388 -2.967 1.00 0.00 O ATOM 931 CB GLN A 61 -3.513 -1.346 -0.057 1.00 0.00 C ATOM 932 CG GLN A 61 -3.410 -1.042 1.422 1.00 0.00 C ATOM 933 CD GLN A 61 -2.321 -0.034 1.728 1.00 0.00 C ATOM 934 OE1 GLN A 61 -1.484 -0.253 2.601 1.00 0.00 O ATOM 935 NE2 GLN A 61 -2.325 1.082 1.012 1.00 0.00 N ATOM 0 H GLN A 61 -4.909 -3.341 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.529 -0.639 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.116 -2.344 -0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.885 -0.646 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.366 -0.660 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.211 -1.965 1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.037 1.226 0.296 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.616 1.796 1.177 1.00 0.00 H new ATOM 944 N LEU A 62 -5.105 0.612 -2.082 1.00 0.00 N ATOM 945 CA LEU A 62 -4.960 1.312 -3.327 1.00 0.00 C ATOM 946 C LEU A 62 -3.697 2.151 -3.287 1.00 0.00 C ATOM 947 O LEU A 62 -3.534 3.017 -2.427 1.00 0.00 O ATOM 948 CB LEU A 62 -6.168 2.198 -3.574 1.00 0.00 C ATOM 949 CG LEU A 62 -6.961 1.903 -4.842 1.00 0.00 C ATOM 950 CD1 LEU A 62 -6.439 0.680 -5.575 1.00 0.00 C ATOM 951 CD2 LEU A 62 -8.430 1.743 -4.545 1.00 0.00 C ATOM 0 H LEU A 62 -5.385 1.200 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.889 0.590 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.840 2.110 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.833 3.235 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.828 2.764 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.036 0.511 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.399 0.841 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.507 -0.191 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.967 1.534 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.572 0.918 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.814 2.662 -4.102 1.00 0.00 H new ATOM 963 N ARG A 63 -2.805 1.872 -4.210 1.00 0.00 N ATOM 964 CA ARG A 63 -1.530 2.560 -4.282 1.00 0.00 C ATOM 965 C ARG A 63 -1.460 3.364 -5.565 1.00 0.00 C ATOM 966 O ARG A 63 -0.895 2.919 -6.566 1.00 0.00 O ATOM 967 CB ARG A 63 -0.377 1.556 -4.202 1.00 0.00 C ATOM 968 CG ARG A 63 -0.262 0.878 -2.847 1.00 0.00 C ATOM 969 CD ARG A 63 0.858 1.478 -2.016 1.00 0.00 C ATOM 970 NE ARG A 63 2.018 0.597 -1.955 1.00 0.00 N ATOM 971 CZ ARG A 63 2.389 -0.075 -0.868 1.00 0.00 C ATOM 972 NH1 ARG A 63 1.738 0.097 0.280 1.00 0.00 N ATOM 973 NH2 ARG A 63 3.428 -0.896 -0.928 1.00 0.00 N ATOM 0 H ARG A 63 -2.939 1.164 -4.932 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.439 3.241 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.513 0.795 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.559 2.069 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.206 0.974 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.082 -0.188 -2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.152 2.438 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.497 1.674 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 63 2.581 0.489 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.952 0.745 0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.025 -0.420 1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.938 -1.010 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.717 -1.414 -0.098 1.00 0.00 H new ATOM 987 N ALA A 64 -2.067 4.538 -5.528 1.00 0.00 N ATOM 988 CA ALA A 64 -2.160 5.398 -6.691 1.00 0.00 C ATOM 989 C ALA A 64 -0.796 5.932 -7.102 1.00 0.00 C ATOM 990 O ALA A 64 -0.178 6.716 -6.379 1.00 0.00 O ATOM 991 CB ALA A 64 -3.108 6.555 -6.417 1.00 0.00 C ATOM 0 H ALA A 64 -2.508 4.920 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.550 4.799 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.168 7.193 -7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.099 6.166 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.737 7.137 -5.573 1.00 0.00 H new ATOM 997 N ARG A 65 -0.325 5.495 -8.258 1.00 0.00 N ATOM 998 CA ARG A 65 0.866 6.077 -8.852 1.00 0.00 C ATOM 999 C ARG A 65 0.461 7.381 -9.508 1.00 0.00 C ATOM 1000 O ARG A 65 -0.473 7.401 -10.313 1.00 0.00 O ATOM 1001 CB ARG A 65 1.510 5.139 -9.885 1.00 0.00 C ATOM 1002 CG ARG A 65 0.958 3.726 -9.875 1.00 0.00 C ATOM 1003 CD ARG A 65 2.010 2.700 -10.257 1.00 0.00 C ATOM 1004 NE ARG A 65 1.411 1.406 -10.583 1.00 0.00 N ATOM 1005 CZ ARG A 65 1.933 0.533 -11.441 1.00 0.00 C ATOM 1006 NH1 ARG A 65 3.064 0.809 -12.071 1.00 0.00 N ATOM 1007 NH2 ARG A 65 1.311 -0.615 -11.666 1.00 0.00 N ATOM 0 H ARG A 65 -0.747 4.742 -8.802 1.00 0.00 H new ATOM 0 HA ARG A 65 1.612 6.245 -8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.372 5.563 -10.879 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.584 5.098 -9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.571 3.495 -8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.119 3.660 -10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.579 3.064 -11.113 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.715 2.578 -9.434 1.00 0.00 H new ATOM 0 HE ARG A 65 0.536 1.156 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.540 1.695 -11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.459 0.136 -12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.438 -0.825 -11.183 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.706 -1.289 -12.322 1.00 0.00 H new ATOM 1021 N SER A 66 1.133 8.464 -9.148 1.00 0.00 N ATOM 1022 CA SER A 66 0.742 9.791 -9.594 1.00 0.00 C ATOM 1023 C SER A 66 1.041 9.992 -11.072 1.00 0.00 C ATOM 1024 O SER A 66 2.031 10.618 -11.447 1.00 0.00 O ATOM 1025 CB SER A 66 1.465 10.839 -8.775 1.00 0.00 C ATOM 1026 OG SER A 66 2.344 10.235 -7.836 1.00 0.00 O ATOM 0 H SER A 66 1.956 8.448 -8.545 1.00 0.00 H new ATOM 0 HA SER A 66 -0.334 9.892 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.030 11.496 -9.436 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.739 11.461 -8.251 1.00 0.00 H new ATOM 0 HG SER A 66 2.801 10.932 -7.320 1.00 0.00 H new ATOM 1032 N VAL A 67 0.182 9.440 -11.896 1.00 0.00 N ATOM 1033 CA VAL A 67 0.292 9.550 -13.335 1.00 0.00 C ATOM 1034 C VAL A 67 -1.099 9.595 -13.940 1.00 0.00 C ATOM 1035 O VAL A 67 -1.870 8.647 -13.822 1.00 0.00 O ATOM 1036 CB VAL A 67 1.085 8.364 -13.944 1.00 0.00 C ATOM 1037 CG1 VAL A 67 0.823 8.231 -15.440 1.00 0.00 C ATOM 1038 CG2 VAL A 67 2.578 8.513 -13.685 1.00 0.00 C ATOM 0 H VAL A 67 -0.622 8.896 -11.585 1.00 0.00 H new ATOM 0 HA VAL A 67 0.836 10.466 -13.564 1.00 0.00 H new ATOM 0 HB VAL A 67 0.736 7.455 -13.453 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.393 7.391 -15.836 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.240 8.060 -15.609 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.128 9.147 -15.946 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.109 7.668 -14.123 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.935 9.439 -14.136 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.760 8.539 -12.611 1.00 0.00 H new ATOM 1048 N SER A 68 -1.440 10.716 -14.530 1.00 0.00 N ATOM 1049 CA SER A 68 -2.679 10.829 -15.268 1.00 0.00 C ATOM 1050 C SER A 68 -2.377 11.213 -16.711 1.00 0.00 C ATOM 1051 O SER A 68 -1.999 12.349 -16.993 1.00 0.00 O ATOM 1052 CB SER A 68 -3.599 11.853 -14.603 1.00 0.00 C ATOM 1053 OG SER A 68 -3.782 11.553 -13.225 1.00 0.00 O ATOM 0 H SER A 68 -0.876 11.566 -14.514 1.00 0.00 H new ATOM 0 HA SER A 68 -3.195 9.869 -15.266 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.175 12.851 -14.708 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.565 11.862 -15.108 1.00 0.00 H new ATOM 0 HG SER A 68 -4.068 10.621 -13.128 1.00 0.00 H new ATOM 1059 N PRO A 69 -2.514 10.245 -17.637 1.00 0.00 N ATOM 1060 CA PRO A 69 -2.162 10.425 -19.055 1.00 0.00 C ATOM 1061 C PRO A 69 -2.735 11.704 -19.656 1.00 0.00 C ATOM 1062 O PRO A 69 -2.016 12.493 -20.269 1.00 0.00 O ATOM 1063 CB PRO A 69 -2.778 9.198 -19.725 1.00 0.00 C ATOM 1064 CG PRO A 69 -2.792 8.156 -18.663 1.00 0.00 C ATOM 1065 CD PRO A 69 -3.027 8.887 -17.368 1.00 0.00 C ATOM 0 HA PRO A 69 -1.085 10.517 -19.193 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.784 9.408 -20.087 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.190 8.879 -20.585 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.578 7.423 -18.846 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.848 7.612 -18.638 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.084 8.903 -17.103 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.498 8.415 -16.540 1.00 0.00 H new ATOM 1073 N LYS A 70 -4.029 11.906 -19.467 1.00 0.00 N ATOM 1074 CA LYS A 70 -4.698 13.090 -19.964 1.00 0.00 C ATOM 1075 C LYS A 70 -5.387 13.812 -18.816 1.00 0.00 C ATOM 1076 O LYS A 70 -6.524 13.499 -18.465 1.00 0.00 O ATOM 1077 CB LYS A 70 -5.712 12.704 -21.044 1.00 0.00 C ATOM 1078 CG LYS A 70 -5.112 12.592 -22.437 1.00 0.00 C ATOM 1079 CD LYS A 70 -4.225 13.782 -22.756 1.00 0.00 C ATOM 1080 CE LYS A 70 -4.971 14.825 -23.574 1.00 0.00 C ATOM 1081 NZ LYS A 70 -4.495 16.204 -23.293 1.00 0.00 N ATOM 0 H LYS A 70 -4.638 11.258 -18.968 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.962 13.761 -20.406 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.168 11.751 -20.777 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.511 13.446 -21.061 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.531 11.673 -22.512 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.912 12.524 -23.175 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.868 14.231 -21.829 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.346 13.446 -23.306 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.847 14.609 -24.635 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.037 14.759 -23.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.210 16.711 -22.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.603 16.161 -22.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.338 16.707 -24.190 1.00 0.00 H new ATOM 1095 N LEU A 71 -4.685 14.757 -18.213 1.00 0.00 N ATOM 1096 CA LEU A 71 -5.222 15.500 -17.086 1.00 0.00 C ATOM 1097 C LEU A 71 -6.133 16.622 -17.565 1.00 0.00 C ATOM 1098 O LEU A 71 -5.670 17.712 -17.901 1.00 0.00 O ATOM 1099 CB LEU A 71 -4.088 16.070 -16.231 1.00 0.00 C ATOM 1100 CG LEU A 71 -3.783 15.282 -14.957 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -2.472 15.748 -14.343 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -4.923 15.420 -13.960 1.00 0.00 C ATOM 0 H LEU A 71 -3.740 15.028 -18.486 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.810 14.814 -16.476 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.183 16.116 -16.837 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.340 17.094 -15.956 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.682 14.228 -15.218 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.271 15.176 -13.437 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.662 15.595 -15.056 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.542 16.807 -14.095 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.689 14.853 -13.059 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.056 16.471 -13.703 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.842 15.035 -14.403 1.00 0.00 H new ATOM 1114 N PHE A 72 -7.427 16.340 -17.632 1.00 0.00 N ATOM 1115 CA PHE A 72 -8.400 17.358 -17.992 1.00 0.00 C ATOM 1116 C PHE A 72 -8.671 18.291 -16.814 1.00 0.00 C ATOM 1117 O PHE A 72 -8.868 17.846 -15.681 1.00 0.00 O ATOM 1118 CB PHE A 72 -9.706 16.708 -18.477 1.00 0.00 C ATOM 1119 CG PHE A 72 -10.558 16.116 -17.384 1.00 0.00 C ATOM 1120 CD1 PHE A 72 -10.186 14.938 -16.752 1.00 0.00 C ATOM 1121 CD2 PHE A 72 -11.735 16.735 -16.995 1.00 0.00 C ATOM 1122 CE1 PHE A 72 -10.971 14.394 -15.751 1.00 0.00 C ATOM 1123 CE2 PHE A 72 -12.524 16.198 -15.997 1.00 0.00 C ATOM 1124 CZ PHE A 72 -12.143 15.025 -15.375 1.00 0.00 C ATOM 0 H PHE A 72 -7.824 15.420 -17.443 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.986 17.951 -18.807 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -10.292 17.456 -19.011 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.461 15.924 -19.194 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.273 14.440 -17.045 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.040 17.651 -17.479 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.669 13.478 -15.264 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -13.437 16.694 -15.703 1.00 0.00 H new ATOM 0 HZ PHE A 72 -12.759 14.601 -14.596 1.00 0.00 H new ATOM 1134 N ILE A 73 -8.640 19.589 -17.079 1.00 0.00 N ATOM 1135 CA ILE A 73 -9.030 20.579 -16.085 1.00 0.00 C ATOM 1136 C ILE A 73 -10.475 20.994 -16.324 1.00 0.00 C ATOM 1137 O ILE A 73 -11.185 21.422 -15.413 1.00 0.00 O ATOM 1138 CB ILE A 73 -8.115 21.823 -16.129 1.00 0.00 C ATOM 1139 CG1 ILE A 73 -6.658 21.412 -16.362 1.00 0.00 C ATOM 1140 CG2 ILE A 73 -8.241 22.625 -14.842 1.00 0.00 C ATOM 1141 CD1 ILE A 73 -6.068 21.971 -17.639 1.00 0.00 C ATOM 0 H ILE A 73 -8.349 19.982 -17.974 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.929 20.127 -15.098 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.433 22.452 -16.960 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.056 21.745 -15.517 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.596 20.324 -16.389 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.589 23.497 -14.892 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.274 22.950 -14.716 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.951 22.003 -13.996 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.035 21.639 -17.738 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.646 21.617 -18.492 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.098 23.060 -17.607 1.00 0.00 H new ATOM 1153 N ARG A 74 -10.899 20.831 -17.564 1.00 0.00 N ATOM 1154 CA ARG A 74 -12.264 21.126 -17.977 1.00 0.00 C ATOM 1155 C ARG A 74 -12.705 20.091 -19.003 1.00 0.00 C ATOM 1156 O ARG A 74 -12.091 19.028 -19.115 1.00 0.00 O ATOM 1157 CB ARG A 74 -12.365 22.530 -18.585 1.00 0.00 C ATOM 1158 CG ARG A 74 -12.373 23.653 -17.564 1.00 0.00 C ATOM 1159 CD ARG A 74 -13.161 24.849 -18.072 1.00 0.00 C ATOM 1160 NE ARG A 74 -12.697 26.105 -17.492 1.00 0.00 N ATOM 1161 CZ ARG A 74 -12.658 27.262 -18.155 1.00 0.00 C ATOM 1162 NH1 ARG A 74 -13.019 27.313 -19.434 1.00 0.00 N ATOM 1163 NH2 ARG A 74 -12.245 28.367 -17.544 1.00 0.00 N ATOM 0 H ARG A 74 -10.305 20.488 -18.319 1.00 0.00 H new ATOM 0 HA ARG A 74 -12.912 21.089 -17.101 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.527 22.680 -19.266 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.275 22.590 -19.182 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.808 23.297 -16.630 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.349 23.955 -17.343 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.079 24.901 -19.158 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.217 24.712 -17.838 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.384 26.098 -16.521 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.327 26.466 -19.911 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.988 28.199 -19.938 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.957 28.332 -16.566 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.216 29.251 -18.053 1.00 0.00 H new ATOM 1177 N GLN A 75 -13.762 20.403 -19.741 1.00 0.00 N ATOM 1178 CA GLN A 75 -14.236 19.561 -20.832 1.00 0.00 C ATOM 1179 C GLN A 75 -13.218 19.514 -21.975 1.00 0.00 C ATOM 1180 O GLN A 75 -13.396 20.149 -23.012 1.00 0.00 O ATOM 1181 CB GLN A 75 -15.580 20.081 -21.356 1.00 0.00 C ATOM 1182 CG GLN A 75 -15.753 21.582 -21.200 1.00 0.00 C ATOM 1183 CD GLN A 75 -17.167 22.041 -21.491 1.00 0.00 C ATOM 1184 OE1 GLN A 75 -17.677 21.870 -22.599 1.00 0.00 O ATOM 1185 NE2 GLN A 75 -17.810 22.632 -20.501 1.00 0.00 N ATOM 0 H GLN A 75 -14.316 21.248 -19.600 1.00 0.00 H new ATOM 0 HA GLN A 75 -14.365 18.550 -20.445 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -15.675 19.820 -22.410 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.387 19.574 -20.828 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.483 21.871 -20.184 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.064 22.095 -21.871 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.353 22.755 -19.597 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.764 22.966 -20.640 1.00 0.00 H new ATOM 1194 N GLU A 76 -12.139 18.781 -21.755 1.00 0.00 N ATOM 1195 CA GLU A 76 -11.139 18.530 -22.778 1.00 0.00 C ATOM 1196 C GLU A 76 -11.587 17.350 -23.645 1.00 0.00 C ATOM 1197 O GLU A 76 -12.769 17.218 -23.957 1.00 0.00 O ATOM 1198 CB GLU A 76 -9.809 18.221 -22.094 1.00 0.00 C ATOM 1199 CG GLU A 76 -8.606 18.858 -22.761 1.00 0.00 C ATOM 1200 CD GLU A 76 -7.543 17.839 -23.110 1.00 0.00 C ATOM 1201 OE1 GLU A 76 -7.871 16.851 -23.793 1.00 0.00 O ATOM 1202 OE2 GLU A 76 -6.379 18.014 -22.694 1.00 0.00 O ATOM 0 H GLU A 76 -11.932 18.342 -20.858 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.019 19.404 -23.418 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.858 18.559 -21.059 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.668 17.140 -22.070 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.925 19.373 -23.667 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.181 19.612 -22.098 1.00 0.00 H new ATOM 1209 N GLU A 77 -10.652 16.497 -24.032 1.00 0.00 N ATOM 1210 CA GLU A 77 -11.005 15.244 -24.680 1.00 0.00 C ATOM 1211 C GLU A 77 -11.293 14.197 -23.611 1.00 0.00 C ATOM 1212 O GLU A 77 -11.881 13.152 -23.880 1.00 0.00 O ATOM 1213 CB GLU A 77 -9.871 14.773 -25.593 1.00 0.00 C ATOM 1214 CG GLU A 77 -10.309 14.487 -27.022 1.00 0.00 C ATOM 1215 CD GLU A 77 -10.142 15.683 -27.939 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -9.276 16.540 -27.658 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -10.878 15.775 -28.944 1.00 0.00 O ATOM 0 H GLU A 77 -9.651 16.647 -23.910 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.893 15.393 -25.295 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.090 15.533 -25.608 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.429 13.870 -25.171 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.730 13.651 -27.414 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.354 14.178 -27.022 1.00 0.00 H new ATOM 1224 N VAL A 78 -10.897 14.518 -22.386 1.00 0.00 N ATOM 1225 CA VAL A 78 -10.998 13.588 -21.267 1.00 0.00 C ATOM 1226 C VAL A 78 -12.210 13.887 -20.389 1.00 0.00 C ATOM 1227 O VAL A 78 -12.099 13.961 -19.169 1.00 0.00 O ATOM 1228 CB VAL A 78 -9.729 13.616 -20.390 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -9.215 12.203 -20.149 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -8.648 14.482 -21.024 1.00 0.00 C ATOM 0 H VAL A 78 -10.499 15.424 -22.140 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.112 12.597 -21.705 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.991 14.056 -19.428 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.320 12.242 -19.529 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.982 11.618 -19.642 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.975 11.736 -21.104 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.764 14.485 -20.386 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.388 14.080 -22.003 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.018 15.501 -21.137 1.00 0.00 H new ATOM 1240 N GLN A 79 -13.364 14.075 -21.011 1.00 0.00 N ATOM 1241 CA GLN A 79 -14.602 14.241 -20.257 1.00 0.00 C ATOM 1242 C GLN A 79 -15.478 13.003 -20.449 1.00 0.00 C ATOM 1243 O GLN A 79 -16.016 12.457 -19.485 1.00 0.00 O ATOM 1244 CB GLN A 79 -15.349 15.521 -20.675 1.00 0.00 C ATOM 1245 CG GLN A 79 -14.908 16.094 -22.010 1.00 0.00 C ATOM 1246 CD GLN A 79 -15.661 15.501 -23.184 1.00 0.00 C ATOM 1247 OE1 GLN A 79 -16.748 14.944 -23.027 1.00 0.00 O ATOM 1248 NE2 GLN A 79 -15.083 15.611 -24.367 1.00 0.00 N ATOM 0 H GLN A 79 -13.472 14.117 -22.024 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.359 14.348 -19.200 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.417 15.306 -20.720 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -15.208 16.278 -19.904 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.052 17.174 -22.001 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.841 15.915 -22.142 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.182 16.081 -24.452 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.538 15.226 -25.195 1.00 0.00 H new ATOM 1257 N GLN A 80 -15.606 12.573 -21.706 1.00 0.00 N ATOM 1258 CA GLN A 80 -16.285 11.322 -22.058 1.00 0.00 C ATOM 1259 C GLN A 80 -17.740 11.311 -21.593 1.00 0.00 C ATOM 1260 O GLN A 80 -18.327 10.251 -21.375 1.00 0.00 O ATOM 1261 CB GLN A 80 -15.536 10.123 -21.469 1.00 0.00 C ATOM 1262 CG GLN A 80 -14.301 9.727 -22.261 1.00 0.00 C ATOM 1263 CD GLN A 80 -13.155 9.283 -21.373 1.00 0.00 C ATOM 1264 OE1 GLN A 80 -12.528 10.093 -20.692 1.00 0.00 O ATOM 1265 NE2 GLN A 80 -12.878 7.988 -21.368 1.00 0.00 N ATOM 0 H GLN A 80 -15.241 13.083 -22.511 1.00 0.00 H new ATOM 0 HA GLN A 80 -16.285 11.248 -23.145 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -15.242 10.356 -20.446 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -16.214 9.271 -21.419 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.558 8.920 -22.947 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -13.978 10.572 -22.869 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.421 7.348 -21.947 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.121 7.631 -20.785 1.00 0.00 H new ATOM 1274 N GLU A 81 -18.324 12.493 -21.460 1.00 0.00 N ATOM 1275 CA GLU A 81 -19.706 12.610 -21.013 1.00 0.00 C ATOM 1276 C GLU A 81 -20.655 12.489 -22.199 1.00 0.00 C ATOM 1277 O GLU A 81 -21.822 12.126 -22.046 1.00 0.00 O ATOM 1278 CB GLU A 81 -19.931 13.938 -20.278 1.00 0.00 C ATOM 1279 CG GLU A 81 -19.134 15.105 -20.842 1.00 0.00 C ATOM 1280 CD GLU A 81 -19.526 16.427 -20.218 1.00 0.00 C ATOM 1281 OE1 GLU A 81 -18.729 16.979 -19.434 1.00 0.00 O ATOM 1282 OE2 GLU A 81 -20.635 16.925 -20.510 1.00 0.00 O ATOM 0 H GLU A 81 -17.865 13.383 -21.654 1.00 0.00 H new ATOM 0 HA GLU A 81 -19.912 11.798 -20.316 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -20.992 14.186 -20.315 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -19.670 13.808 -19.228 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -18.071 14.929 -20.676 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -19.284 15.157 -21.920 1.00 0.00 H new ATOM 1289 N LEU A 82 -20.127 12.779 -23.379 1.00 0.00 N ATOM 1290 CA LEU A 82 -20.885 12.693 -24.620 1.00 0.00 C ATOM 1291 C LEU A 82 -19.919 12.657 -25.788 1.00 0.00 C ATOM 1292 O LEU A 82 -19.783 11.645 -26.479 1.00 0.00 O ATOM 1293 CB LEU A 82 -21.828 13.891 -24.764 1.00 0.00 C ATOM 1294 CG LEU A 82 -23.309 13.581 -24.565 1.00 0.00 C ATOM 1295 CD1 LEU A 82 -24.059 14.835 -24.148 1.00 0.00 C ATOM 1296 CD2 LEU A 82 -23.913 12.994 -25.833 1.00 0.00 C ATOM 0 H LEU A 82 -19.161 13.081 -23.504 1.00 0.00 H new ATOM 0 HA LEU A 82 -21.487 11.784 -24.606 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -21.533 14.654 -24.043 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -21.694 14.321 -25.756 1.00 0.00 H new ATOM 0 HG LEU A 82 -23.401 12.840 -23.771 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -25.114 14.599 -24.010 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -23.646 15.212 -23.212 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -23.956 15.595 -24.922 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -24.969 12.781 -25.668 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -23.810 13.709 -26.650 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -23.393 12.072 -26.091 1.00 0.00 H new ATOM 1308 N TYR A 83 -19.234 13.771 -25.988 1.00 0.00 N ATOM 1309 CA TYR A 83 -18.208 13.870 -27.008 1.00 0.00 C ATOM 1310 C TYR A 83 -16.946 13.174 -26.533 1.00 0.00 C ATOM 1311 O TYR A 83 -16.455 13.455 -25.446 1.00 0.00 O ATOM 1312 CB TYR A 83 -17.893 15.336 -27.305 1.00 0.00 C ATOM 1313 CG TYR A 83 -18.936 16.032 -28.146 1.00 0.00 C ATOM 1314 CD1 TYR A 83 -18.900 15.947 -29.531 1.00 0.00 C ATOM 1315 CD2 TYR A 83 -19.949 16.778 -27.558 1.00 0.00 C ATOM 1316 CE1 TYR A 83 -19.845 16.584 -30.307 1.00 0.00 C ATOM 1317 CE2 TYR A 83 -20.899 17.417 -28.329 1.00 0.00 C ATOM 1318 CZ TYR A 83 -20.841 17.318 -29.702 1.00 0.00 C ATOM 1319 OH TYR A 83 -21.788 17.951 -30.472 1.00 0.00 O ATOM 0 H TYR A 83 -19.374 14.626 -25.450 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.573 13.392 -27.917 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -17.785 15.872 -26.362 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -16.932 15.394 -27.816 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -18.120 15.373 -30.008 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -19.994 16.859 -26.482 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -19.804 16.508 -31.384 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -21.683 17.991 -27.859 1.00 0.00 H new ATOM 0 HH TYR A 83 -22.419 18.424 -29.891 1.00 0.00 H new ATOM 1329 N SER A 84 -16.440 12.251 -27.319 1.00 0.00 N ATOM 1330 CA SER A 84 -15.165 11.632 -27.009 1.00 0.00 C ATOM 1331 C SER A 84 -14.107 12.160 -27.965 1.00 0.00 C ATOM 1332 O SER A 84 -13.046 12.620 -27.546 1.00 0.00 O ATOM 1333 CB SER A 84 -15.273 10.112 -27.095 1.00 0.00 C ATOM 1334 OG SER A 84 -16.581 9.685 -26.752 1.00 0.00 O ATOM 0 H SER A 84 -16.885 11.912 -28.172 1.00 0.00 H new ATOM 0 HA SER A 84 -14.877 11.884 -25.988 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.030 9.781 -28.105 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.547 9.652 -26.425 1.00 0.00 H new ATOM 0 HG SER A 84 -16.633 8.708 -26.814 1.00 0.00 H new ATOM 1340 N ARG A 85 -14.427 12.114 -29.250 1.00 0.00 N ATOM 1341 CA ARG A 85 -13.579 12.666 -30.290 1.00 0.00 C ATOM 1342 C ARG A 85 -14.371 12.750 -31.586 1.00 0.00 C ATOM 1343 O ARG A 85 -13.835 13.259 -32.589 1.00 0.00 O ATOM 1344 CB ARG A 85 -12.325 11.810 -30.486 1.00 0.00 C ATOM 1345 CG ARG A 85 -11.034 12.534 -30.131 1.00 0.00 C ATOM 1346 CD ARG A 85 -10.383 13.156 -31.354 1.00 0.00 C ATOM 1347 NE ARG A 85 -10.693 14.580 -31.483 1.00 0.00 N ATOM 1348 CZ ARG A 85 -10.877 15.197 -32.654 1.00 0.00 C ATOM 1349 NH1 ARG A 85 -10.810 14.513 -33.789 1.00 0.00 N ATOM 1350 NH2 ARG A 85 -11.131 16.499 -32.694 1.00 0.00 N ATOM 1351 OXT ARG A 85 -15.544 12.312 -31.588 1.00 0.00 O ATOM 0 H ARG A 85 -15.287 11.690 -29.599 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.256 13.664 -29.993 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.409 10.912 -29.874 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -12.276 11.484 -31.525 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.243 13.311 -29.396 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -10.340 11.834 -29.666 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.303 13.025 -31.294 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.718 12.631 -32.248 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.773 15.134 -30.630 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.617 13.512 -33.770 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.951 14.989 -34.680 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.187 17.035 -31.828 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.270 16.964 -33.591 1.00 0.00 H new TER 1365 ARG A 85