USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=22 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 39 GLN : amide:sc= -1.22 X(o=-2.7,f=-2.8!) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.43! K(o=-2.7!,f=-0.93) USER MOD Single : A 1 GLU N :NH3+ -164:sc= -0.0313 (180deg=-0.392) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 8 ASN : amide:sc= -0.711 K(o=-0.71,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 9:sc= -3.13! USER MOD Single : A 15 ASN : amide:sc= -0.436 K(o=-0.44,f=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= 0.507 (180deg=-0.102) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.144) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=-0.0082) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0147 USER MOD Single : A 30 SER OG : rot 180:sc= -0.32 USER MOD Single : A 36 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.22) USER MOD Single : A 37 THR OG1 : rot 69:sc= 0.973 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= -0.0128 (180deg=-0.156) USER MOD Single : A 44 HIS : no HD1:sc= -2.64 K(o=-2.6,f=-0.47) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -124:sc=-0.00169 (180deg=-2.5!) USER MOD Single : A 54 SER OG : rot -9:sc= 0.897 USER MOD Single : A 60 THR OG1 : rot 88:sc= 0.807 USER MOD Single : A 64 ASN : amide:sc= -5.65! C(o=-5.6!,f=-2.1!) USER MOD Single : A 69 GLN : amide:sc= -2.51! C(o=-2.5!,f=-5.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.8!) USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= -0.0603 (180deg=-0.332) USER MOD Single : B 1 ASN : amide:sc= 0.194 K(o=0.19,f=-2.4!) USER MOD Single : B 1 ASN N :NH3+ -175:sc= 0.0989 (180deg=0.0256) USER MOD Single : B 3 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.52) USER MOD Single : B 4 MET CE :methyl -153:sc= 0 (180deg=-0.166) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -5.994 24.251 -6.613 1.00 0.00 N ATOM 2 CA GLU A 1 -7.176 23.444 -6.211 1.00 0.00 C ATOM 3 C GLU A 1 -6.947 22.758 -4.868 1.00 0.00 C ATOM 4 O GLU A 1 -7.834 22.736 -4.013 1.00 0.00 O ATOM 5 CB GLU A 1 -7.448 22.402 -7.298 1.00 0.00 C ATOM 6 CG GLU A 1 -7.755 23.008 -8.657 1.00 0.00 C ATOM 7 CD GLU A 1 -8.043 21.957 -9.711 1.00 0.00 C ATOM 8 OE1 GLU A 1 -9.004 21.180 -9.528 1.00 0.00 O ATOM 9 OE2 GLU A 1 -7.307 21.910 -10.720 1.00 0.00 O ATOM 0 H1 GLU A 1 -6.265 24.910 -7.371 1.00 0.00 H new ATOM 0 H2 GLU A 1 -5.646 24.789 -5.794 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.243 23.619 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.037 24.103 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -6.580 21.748 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -8.287 21.778 -6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -8.614 23.674 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -6.911 23.618 -8.978 1.00 0.00 H new ATOM 18 N SER A 2 -5.752 22.202 -4.690 1.00 0.00 N ATOM 19 CA SER A 2 -5.399 21.512 -3.453 1.00 0.00 C ATOM 20 C SER A 2 -6.393 20.394 -3.154 1.00 0.00 C ATOM 21 O SER A 2 -6.836 20.230 -2.017 1.00 0.00 O ATOM 22 CB SER A 2 -5.356 22.501 -2.286 1.00 0.00 C ATOM 23 OG SER A 2 -4.406 23.526 -2.520 1.00 0.00 O ATOM 0 H SER A 2 -5.010 22.216 -5.389 1.00 0.00 H new ATOM 0 HA SER A 2 -4.410 21.071 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.343 22.941 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.106 21.972 -1.366 1.00 0.00 H new ATOM 0 HG SER A 2 -4.399 24.145 -1.761 1.00 0.00 H new ATOM 29 N ASP A 3 -6.736 19.628 -4.186 1.00 0.00 N ATOM 30 CA ASP A 3 -7.679 18.523 -4.043 1.00 0.00 C ATOM 31 C ASP A 3 -7.769 17.726 -5.343 1.00 0.00 C ATOM 32 O ASP A 3 -8.859 17.465 -5.852 1.00 0.00 O ATOM 33 CB ASP A 3 -9.061 19.052 -3.648 1.00 0.00 C ATOM 34 CG ASP A 3 -10.053 17.941 -3.364 1.00 0.00 C ATOM 35 OD1 ASP A 3 -9.795 17.136 -2.445 1.00 0.00 O ATOM 36 OD2 ASP A 3 -11.088 17.877 -4.061 1.00 0.00 O ATOM 0 H ASP A 3 -6.374 19.753 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.320 17.861 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.965 19.683 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.447 19.682 -4.449 1.00 0.00 H new ATOM 41 N SER A 4 -6.610 17.345 -5.876 1.00 0.00 N ATOM 42 CA SER A 4 -6.540 16.586 -7.106 1.00 0.00 C ATOM 43 C SER A 4 -7.328 15.296 -7.025 1.00 0.00 C ATOM 44 O SER A 4 -7.420 14.664 -5.971 1.00 0.00 O ATOM 45 CB SER A 4 -5.090 16.276 -7.443 1.00 0.00 C ATOM 46 OG SER A 4 -4.315 16.095 -6.270 1.00 0.00 O ATOM 0 H SER A 4 -5.701 17.556 -5.464 1.00 0.00 H new ATOM 0 HA SER A 4 -6.983 17.198 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.041 15.376 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.671 17.089 -8.036 1.00 0.00 H new ATOM 0 HG SER A 4 -3.388 15.895 -6.518 1.00 0.00 H new ATOM 52 N VAL A 5 -7.873 14.908 -8.165 1.00 0.00 N ATOM 53 CA VAL A 5 -8.640 13.685 -8.274 1.00 0.00 C ATOM 54 C VAL A 5 -7.812 12.505 -7.792 1.00 0.00 C ATOM 55 O VAL A 5 -8.323 11.608 -7.131 1.00 0.00 O ATOM 56 CB VAL A 5 -9.066 13.441 -9.732 1.00 0.00 C ATOM 57 CG1 VAL A 5 -9.694 12.062 -9.888 1.00 0.00 C ATOM 58 CG2 VAL A 5 -10.024 14.526 -10.196 1.00 0.00 C ATOM 0 H VAL A 5 -7.795 15.432 -9.037 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.531 13.786 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.176 13.479 -10.360 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.988 11.911 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.971 11.298 -9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.573 11.988 -9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.315 14.337 -11.229 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.911 14.523 -9.563 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.534 15.497 -10.129 1.00 0.00 H new ATOM 68 N GLU A 6 -6.526 12.526 -8.133 1.00 0.00 N ATOM 69 CA GLU A 6 -5.602 11.467 -7.742 1.00 0.00 C ATOM 70 C GLU A 6 -5.528 11.334 -6.223 1.00 0.00 C ATOM 71 O GLU A 6 -5.445 10.225 -5.693 1.00 0.00 O ATOM 72 CB GLU A 6 -4.210 11.747 -8.308 1.00 0.00 C ATOM 73 CG GLU A 6 -4.184 11.874 -9.822 1.00 0.00 C ATOM 74 CD GLU A 6 -2.794 12.152 -10.359 1.00 0.00 C ATOM 75 OE1 GLU A 6 -2.207 13.187 -9.978 1.00 0.00 O ATOM 76 OE2 GLU A 6 -2.292 11.335 -11.159 1.00 0.00 O ATOM 0 H GLU A 6 -6.099 13.271 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.974 10.527 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.826 12.667 -7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.536 10.945 -8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.564 10.954 -10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.855 12.677 -10.127 1.00 0.00 H new ATOM 83 N PHE A 7 -5.557 12.467 -5.527 1.00 0.00 N ATOM 84 CA PHE A 7 -5.494 12.467 -4.068 1.00 0.00 C ATOM 85 C PHE A 7 -6.679 11.705 -3.484 1.00 0.00 C ATOM 86 O PHE A 7 -6.501 10.719 -2.769 1.00 0.00 O ATOM 87 CB PHE A 7 -5.473 13.903 -3.536 1.00 0.00 C ATOM 88 CG PHE A 7 -5.468 13.996 -2.034 1.00 0.00 C ATOM 89 CD1 PHE A 7 -4.600 13.224 -1.275 1.00 0.00 C ATOM 90 CD2 PHE A 7 -6.335 14.859 -1.382 1.00 0.00 C ATOM 91 CE1 PHE A 7 -4.599 13.312 0.104 1.00 0.00 C ATOM 92 CE2 PHE A 7 -6.337 14.951 -0.004 1.00 0.00 C ATOM 93 CZ PHE A 7 -5.468 14.177 0.740 1.00 0.00 C ATOM 0 H PHE A 7 -5.623 13.394 -5.947 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.575 11.968 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.591 14.411 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.343 14.435 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.918 12.547 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.017 15.467 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.919 12.705 0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.018 15.628 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.468 14.248 1.818 1.00 0.00 H new ATOM 103 N ASN A 8 -7.888 12.150 -3.814 1.00 0.00 N ATOM 104 CA ASN A 8 -9.098 11.489 -3.338 1.00 0.00 C ATOM 105 C ASN A 8 -9.163 10.084 -3.913 1.00 0.00 C ATOM 106 O ASN A 8 -9.720 9.168 -3.307 1.00 0.00 O ATOM 107 CB ASN A 8 -10.341 12.284 -3.740 1.00 0.00 C ATOM 108 CG ASN A 8 -10.336 13.693 -3.179 1.00 0.00 C ATOM 109 OD1 ASN A 8 -10.310 13.890 -1.964 1.00 0.00 O ATOM 110 ND2 ASN A 8 -10.360 14.684 -4.063 1.00 0.00 N ATOM 0 H ASN A 8 -8.055 12.963 -4.407 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.069 11.435 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.403 12.330 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -11.231 11.761 -3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.357 15.653 -3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.381 14.476 -5.061 1.00 0.00 H new ATOM 117 N ASN A 9 -8.568 9.931 -5.088 1.00 0.00 N ATOM 118 CA ASN A 9 -8.514 8.652 -5.777 1.00 0.00 C ATOM 119 C ASN A 9 -7.832 7.626 -4.883 1.00 0.00 C ATOM 120 O ASN A 9 -8.288 6.491 -4.748 1.00 0.00 O ATOM 121 CB ASN A 9 -7.734 8.817 -7.081 1.00 0.00 C ATOM 122 CG ASN A 9 -7.859 7.648 -8.018 1.00 0.00 C ATOM 123 OD1 ASN A 9 -7.777 6.488 -7.611 1.00 0.00 O ATOM 124 ND2 ASN A 9 -8.024 7.957 -9.291 1.00 0.00 N ATOM 0 H ASN A 9 -8.109 10.692 -5.590 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.523 8.308 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.082 9.716 -7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.681 8.971 -6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.090 7.218 -9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.086 8.935 -9.575 1.00 0.00 H new ATOM 131 N ALA A 10 -6.735 8.055 -4.266 1.00 0.00 N ATOM 132 CA ALA A 10 -5.970 7.205 -3.367 1.00 0.00 C ATOM 133 C ALA A 10 -6.712 6.983 -2.054 1.00 0.00 C ATOM 134 O ALA A 10 -6.791 5.857 -1.556 1.00 0.00 O ATOM 135 CB ALA A 10 -4.606 7.823 -3.102 1.00 0.00 C ATOM 0 H ALA A 10 -6.355 8.995 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.837 6.235 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.040 7.180 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.065 7.928 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.734 8.804 -2.645 1.00 0.00 H new ATOM 141 N ILE A 11 -7.253 8.066 -1.493 1.00 0.00 N ATOM 142 CA ILE A 11 -7.982 7.988 -0.234 1.00 0.00 C ATOM 143 C ILE A 11 -9.080 6.939 -0.297 1.00 0.00 C ATOM 144 O ILE A 11 -9.247 6.153 0.629 1.00 0.00 O ATOM 145 CB ILE A 11 -8.635 9.329 0.143 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.599 10.457 0.187 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.344 9.196 1.481 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.541 10.285 1.255 1.00 0.00 C ATOM 0 H ILE A 11 -7.198 9.003 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.243 7.719 0.521 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.367 9.586 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.111 10.525 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.115 11.403 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.805 10.148 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.113 8.427 1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.622 8.917 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.847 11.125 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.016 10.249 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.996 9.357 1.081 1.00 0.00 H new ATOM 160 N SER A 12 -9.833 6.948 -1.388 1.00 0.00 N ATOM 161 CA SER A 12 -10.927 6.005 -1.567 1.00 0.00 C ATOM 162 C SER A 12 -10.429 4.568 -1.499 1.00 0.00 C ATOM 163 O SER A 12 -11.123 3.692 -0.988 1.00 0.00 O ATOM 164 CB SER A 12 -11.639 6.255 -2.897 1.00 0.00 C ATOM 165 OG SER A 12 -12.695 5.331 -3.093 1.00 0.00 O ATOM 0 H SER A 12 -9.706 7.599 -2.163 1.00 0.00 H new ATOM 0 HA SER A 12 -11.637 6.158 -0.754 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.033 7.271 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.924 6.174 -3.716 1.00 0.00 H new ATOM 0 HG SER A 12 -13.135 5.514 -3.950 1.00 0.00 H new ATOM 171 N TYR A 13 -9.223 4.326 -2.007 1.00 0.00 N ATOM 172 CA TYR A 13 -8.655 2.985 -1.978 1.00 0.00 C ATOM 173 C TYR A 13 -8.453 2.542 -0.538 1.00 0.00 C ATOM 174 O TYR A 13 -8.961 1.505 -0.113 1.00 0.00 O ATOM 175 CB TYR A 13 -7.316 2.941 -2.713 1.00 0.00 C ATOM 176 CG TYR A 13 -6.680 1.567 -2.700 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.365 0.462 -3.192 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.403 1.374 -2.189 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.794 -0.795 -3.174 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.827 0.119 -2.167 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.526 -0.961 -2.659 1.00 0.00 C ATOM 182 OH TYR A 13 -4.960 -2.213 -2.634 1.00 0.00 O ATOM 0 H TYR A 13 -8.628 5.033 -2.438 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.350 2.311 -2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.464 3.257 -3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.633 3.656 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.359 0.589 -3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.852 2.219 -1.803 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.338 -1.644 -3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.833 -0.015 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.521 -2.836 -3.141 1.00 0.00 H new ATOM 192 N VAL A 14 -7.711 3.352 0.205 1.00 0.00 N ATOM 193 CA VAL A 14 -7.436 3.073 1.608 1.00 0.00 C ATOM 194 C VAL A 14 -8.734 3.021 2.405 1.00 0.00 C ATOM 195 O VAL A 14 -8.895 2.204 3.311 1.00 0.00 O ATOM 196 CB VAL A 14 -6.516 4.147 2.217 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.123 3.776 3.639 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.282 4.346 1.348 1.00 0.00 C ATOM 0 H VAL A 14 -7.287 4.212 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.935 2.106 1.659 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.064 5.089 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.473 4.548 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.019 3.691 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.595 2.823 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.643 5.108 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.732 3.408 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.587 4.665 0.351 1.00 0.00 H new ATOM 208 N ASN A 15 -9.655 3.908 2.048 1.00 0.00 N ATOM 209 CA ASN A 15 -10.951 3.992 2.705 1.00 0.00 C ATOM 210 C ASN A 15 -11.757 2.718 2.472 1.00 0.00 C ATOM 211 O ASN A 15 -12.408 2.208 3.383 1.00 0.00 O ATOM 212 CB ASN A 15 -11.713 5.218 2.191 1.00 0.00 C ATOM 213 CG ASN A 15 -13.075 5.378 2.839 1.00 0.00 C ATOM 214 OD1 ASN A 15 -13.945 4.517 2.711 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.264 6.487 3.544 1.00 0.00 N ATOM 0 H ASN A 15 -9.524 4.586 1.298 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.796 4.098 3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.120 6.113 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.837 5.137 1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.158 6.651 4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.515 7.175 3.624 1.00 0.00 H new ATOM 222 N LYS A 16 -11.699 2.202 1.246 1.00 0.00 N ATOM 223 CA LYS A 16 -12.413 0.980 0.894 1.00 0.00 C ATOM 224 C LYS A 16 -11.822 -0.206 1.643 1.00 0.00 C ATOM 225 O LYS A 16 -12.541 -1.094 2.095 1.00 0.00 O ATOM 226 CB LYS A 16 -12.334 0.732 -0.614 1.00 0.00 C ATOM 227 CG LYS A 16 -13.150 -0.463 -1.083 1.00 0.00 C ATOM 228 CD LYS A 16 -12.953 -0.730 -2.569 1.00 0.00 C ATOM 229 CE LYS A 16 -13.371 0.463 -3.415 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.153 0.218 -4.868 1.00 0.00 N ATOM 0 H LYS A 16 -11.164 2.612 0.481 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.459 1.096 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.678 1.624 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.291 0.581 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.862 -1.347 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.206 -0.284 -0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.906 -0.963 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.533 -1.605 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.424 0.682 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.806 1.343 -3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.934 1.117 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.359 -0.442 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.013 -0.193 -5.284 1.00 0.00 H new ATOM 244 N ILE A 17 -10.501 -0.205 1.771 1.00 0.00 N ATOM 245 CA ILE A 17 -9.799 -1.270 2.470 1.00 0.00 C ATOM 246 C ILE A 17 -10.226 -1.327 3.932 1.00 0.00 C ATOM 247 O ILE A 17 -10.453 -2.405 4.483 1.00 0.00 O ATOM 248 CB ILE A 17 -8.273 -1.070 2.388 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.813 -1.163 0.931 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.553 -2.093 3.254 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.341 -0.876 0.733 1.00 0.00 C ATOM 0 H ILE A 17 -9.894 0.525 1.398 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.058 -2.211 1.985 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.024 -0.079 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.032 -2.162 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.394 -0.462 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.477 -1.936 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.869 -1.979 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.797 -3.098 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.093 -0.962 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.118 0.134 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.751 -1.593 1.304 1.00 0.00 H new ATOM 263 N LYS A 18 -10.339 -0.157 4.549 1.00 0.00 N ATOM 264 CA LYS A 18 -10.744 -0.063 5.944 1.00 0.00 C ATOM 265 C LYS A 18 -12.175 -0.549 6.121 1.00 0.00 C ATOM 266 O LYS A 18 -12.453 -1.431 6.935 1.00 0.00 O ATOM 267 CB LYS A 18 -10.636 1.385 6.421 1.00 0.00 C ATOM 268 CG LYS A 18 -10.925 1.562 7.904 1.00 0.00 C ATOM 269 CD LYS A 18 -10.848 3.023 8.325 1.00 0.00 C ATOM 270 CE LYS A 18 -9.445 3.584 8.160 1.00 0.00 C ATOM 271 NZ LYS A 18 -9.370 5.015 8.564 1.00 0.00 N ATOM 0 H LYS A 18 -10.155 0.742 4.103 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.082 -0.694 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.633 1.755 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.330 2.000 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.917 1.170 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.212 0.978 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.547 3.610 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.158 3.118 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.747 3.000 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.133 3.483 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.456 5.412 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.142 5.544 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.459 5.089 9.598 1.00 0.00 H new ATOM 285 N THR A 19 -13.076 0.047 5.354 1.00 0.00 N ATOM 286 CA THR A 19 -14.493 -0.299 5.411 1.00 0.00 C ATOM 287 C THR A 19 -14.725 -1.768 5.077 1.00 0.00 C ATOM 288 O THR A 19 -15.662 -2.387 5.580 1.00 0.00 O ATOM 289 CB THR A 19 -15.329 0.575 4.453 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.726 0.359 4.688 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.008 0.258 3.001 1.00 0.00 C ATOM 0 H THR A 19 -12.851 0.778 4.679 1.00 0.00 H new ATOM 0 HA THR A 19 -14.815 -0.112 6.435 1.00 0.00 H new ATOM 0 HB THR A 19 -15.079 1.618 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.251 0.918 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.612 0.889 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.951 0.447 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.230 -0.790 2.800 1.00 0.00 H new ATOM 299 N ARG A 20 -13.876 -2.320 4.221 1.00 0.00 N ATOM 300 CA ARG A 20 -14.003 -3.713 3.822 1.00 0.00 C ATOM 301 C ARG A 20 -13.698 -4.648 4.987 1.00 0.00 C ATOM 302 O ARG A 20 -14.486 -5.539 5.303 1.00 0.00 O ATOM 303 CB ARG A 20 -13.076 -4.018 2.641 1.00 0.00 C ATOM 304 CG ARG A 20 -12.999 -5.497 2.287 1.00 0.00 C ATOM 305 CD ARG A 20 -14.381 -6.112 2.147 1.00 0.00 C ATOM 306 NE ARG A 20 -15.176 -5.451 1.117 1.00 0.00 N ATOM 307 CZ ARG A 20 -16.437 -5.769 0.838 1.00 0.00 C ATOM 308 NH1 ARG A 20 -17.046 -6.735 1.514 1.00 0.00 N ATOM 309 NH2 ARG A 20 -17.090 -5.120 -0.116 1.00 0.00 N ATOM 0 H ARG A 20 -13.094 -1.825 3.791 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.035 -3.881 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.420 -3.462 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.074 -3.657 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.449 -5.620 1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.441 -6.028 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.283 -7.170 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.903 -6.050 3.102 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.739 -4.702 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.547 -7.235 2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.013 -6.977 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.625 -4.376 -0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.057 -5.365 -0.329 1.00 0.00 H new ATOM 323 N PHE A 21 -12.546 -4.446 5.615 1.00 0.00 N ATOM 324 CA PHE A 21 -12.131 -5.280 6.734 1.00 0.00 C ATOM 325 C PHE A 21 -12.434 -4.623 8.083 1.00 0.00 C ATOM 326 O PHE A 21 -11.598 -4.649 8.987 1.00 0.00 O ATOM 327 CB PHE A 21 -10.638 -5.594 6.643 1.00 0.00 C ATOM 328 CG PHE A 21 -10.246 -6.390 5.428 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.069 -5.771 4.201 1.00 0.00 C ATOM 330 CD2 PHE A 21 -10.048 -7.758 5.518 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.699 -6.503 3.088 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.678 -8.496 4.411 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.501 -7.867 3.193 1.00 0.00 C ATOM 0 H PHE A 21 -11.883 -3.711 5.368 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.704 -6.205 6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.081 -4.657 6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.339 -6.144 7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.222 -4.705 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.185 -8.254 6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.565 -6.009 2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.527 -9.562 4.497 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.209 -8.440 2.325 1.00 0.00 H new ATOM 343 N LEU A 22 -13.626 -4.048 8.228 1.00 0.00 N ATOM 344 CA LEU A 22 -14.007 -3.411 9.488 1.00 0.00 C ATOM 345 C LEU A 22 -13.895 -4.401 10.644 1.00 0.00 C ATOM 346 O LEU A 22 -13.399 -4.063 11.719 1.00 0.00 O ATOM 347 CB LEU A 22 -15.432 -2.861 9.408 1.00 0.00 C ATOM 348 CG LEU A 22 -15.616 -1.661 8.477 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.082 -1.260 8.409 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.763 -0.488 8.941 1.00 0.00 C ATOM 0 H LEU A 22 -14.338 -4.009 7.498 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.323 -2.582 9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.095 -3.661 9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.751 -2.575 10.410 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.290 -1.948 7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.195 -0.405 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.671 -2.096 8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.432 -0.992 9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.907 0.356 8.266 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.058 -0.200 9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.712 -0.779 8.939 1.00 0.00 H new ATOM 362 N ASP A 23 -14.347 -5.630 10.409 1.00 0.00 N ATOM 363 CA ASP A 23 -14.287 -6.676 11.419 1.00 0.00 C ATOM 364 C ASP A 23 -12.863 -7.203 11.534 1.00 0.00 C ATOM 365 O ASP A 23 -12.470 -7.756 12.560 1.00 0.00 O ATOM 366 CB ASP A 23 -15.248 -7.810 11.063 1.00 0.00 C ATOM 367 CG ASP A 23 -15.338 -8.872 12.145 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.727 -8.687 13.218 1.00 0.00 O ATOM 369 OD2 ASP A 23 -16.031 -9.887 11.921 1.00 0.00 O ATOM 0 H ASP A 23 -14.760 -5.924 9.524 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.586 -6.259 12.381 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.240 -7.396 10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.924 -8.274 10.132 1.00 0.00 H new ATOM 374 N HIS A 24 -12.102 -7.029 10.457 1.00 0.00 N ATOM 375 CA HIS A 24 -10.722 -7.481 10.398 1.00 0.00 C ATOM 376 C HIS A 24 -9.745 -6.298 10.425 1.00 0.00 C ATOM 377 O HIS A 24 -9.139 -5.966 9.407 1.00 0.00 O ATOM 378 CB HIS A 24 -10.507 -8.299 9.124 1.00 0.00 C ATOM 379 CG HIS A 24 -11.395 -9.491 9.011 1.00 0.00 C ATOM 380 ND1 HIS A 24 -11.638 -10.151 7.824 1.00 0.00 N ATOM 381 CD2 HIS A 24 -12.071 -10.159 9.957 1.00 0.00 C ATOM 382 CE1 HIS A 24 -12.436 -11.179 8.053 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.714 -11.206 9.344 1.00 0.00 N ATOM 0 H HIS A 24 -12.427 -6.572 9.605 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.527 -8.099 11.274 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.669 -7.655 8.260 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.468 -8.628 9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.104 -9.918 11.009 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.798 -11.877 7.312 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.309 -11.892 9.809 1.00 0.00 H new ATOM 392 N PRO A 25 -9.577 -5.642 11.588 1.00 0.00 N ATOM 393 CA PRO A 25 -8.666 -4.498 11.728 1.00 0.00 C ATOM 394 C PRO A 25 -7.204 -4.889 11.529 1.00 0.00 C ATOM 395 O PRO A 25 -6.409 -4.111 11.004 1.00 0.00 O ATOM 396 CB PRO A 25 -8.901 -4.025 13.162 1.00 0.00 C ATOM 397 CG PRO A 25 -9.416 -5.226 13.873 1.00 0.00 C ATOM 398 CD PRO A 25 -10.247 -5.961 12.861 1.00 0.00 C ATOM 0 HA PRO A 25 -8.860 -3.733 10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.979 -3.661 13.615 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.619 -3.205 13.197 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.598 -5.848 14.237 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.012 -4.944 14.741 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.260 -7.034 13.052 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.283 -5.623 12.868 1.00 0.00 H new ATOM 406 N GLU A 26 -6.859 -6.099 11.963 1.00 0.00 N ATOM 407 CA GLU A 26 -5.494 -6.603 11.845 1.00 0.00 C ATOM 408 C GLU A 26 -4.991 -6.520 10.405 1.00 0.00 C ATOM 409 O GLU A 26 -3.810 -6.272 10.165 1.00 0.00 O ATOM 410 CB GLU A 26 -5.403 -8.051 12.343 1.00 0.00 C ATOM 411 CG GLU A 26 -6.256 -9.032 11.555 1.00 0.00 C ATOM 412 CD GLU A 26 -7.723 -9.001 11.948 1.00 0.00 C ATOM 413 OE1 GLU A 26 -8.057 -8.341 12.954 1.00 0.00 O ATOM 414 OE2 GLU A 26 -8.534 -9.655 11.260 1.00 0.00 O ATOM 0 H GLU A 26 -7.510 -6.751 12.401 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.860 -5.972 12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.363 -8.374 12.300 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.704 -8.084 13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.167 -8.808 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.868 -10.040 11.702 1.00 0.00 H new ATOM 421 N ILE A 27 -5.893 -6.738 9.454 1.00 0.00 N ATOM 422 CA ILE A 27 -5.538 -6.694 8.037 1.00 0.00 C ATOM 423 C ILE A 27 -5.095 -5.292 7.640 1.00 0.00 C ATOM 424 O ILE A 27 -4.034 -5.106 7.043 1.00 0.00 O ATOM 425 CB ILE A 27 -6.731 -7.079 7.143 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.662 -8.052 7.868 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.241 -7.667 5.825 1.00 0.00 C ATOM 428 CD1 ILE A 27 -7.189 -9.487 7.925 1.00 0.00 C ATOM 0 H ILE A 27 -6.875 -6.947 9.637 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.727 -7.408 7.894 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.301 -6.177 6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.809 -7.696 8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.636 -8.028 7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.097 -7.934 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.630 -6.931 5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.645 -8.558 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.922 -10.091 8.460 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.072 -9.872 6.912 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.232 -9.534 8.444 1.00 0.00 H new ATOM 440 N TYR A 28 -5.930 -4.311 7.973 1.00 0.00 N ATOM 441 CA TYR A 28 -5.653 -2.916 7.655 1.00 0.00 C ATOM 442 C TYR A 28 -4.317 -2.478 8.243 1.00 0.00 C ATOM 443 O TYR A 28 -3.499 -1.861 7.563 1.00 0.00 O ATOM 444 CB TYR A 28 -6.773 -2.029 8.191 1.00 0.00 C ATOM 445 CG TYR A 28 -6.652 -0.579 7.794 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.746 -0.200 6.463 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.454 0.411 8.746 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.641 1.126 6.089 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.349 1.740 8.382 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.441 2.093 7.052 1.00 0.00 C ATOM 451 OH TYR A 28 -6.337 3.415 6.686 1.00 0.00 O ATOM 0 H TYR A 28 -6.810 -4.460 8.467 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.599 -2.816 6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.729 -2.414 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.787 -2.097 9.279 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.904 -0.954 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.381 0.138 9.788 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.715 1.404 5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.196 2.498 9.135 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.199 3.966 7.485 1.00 0.00 H new ATOM 461 N ARG A 29 -4.110 -2.806 9.512 1.00 0.00 N ATOM 462 CA ARG A 29 -2.881 -2.455 10.209 1.00 0.00 C ATOM 463 C ARG A 29 -1.655 -2.980 9.468 1.00 0.00 C ATOM 464 O ARG A 29 -0.741 -2.221 9.147 1.00 0.00 O ATOM 465 CB ARG A 29 -2.917 -3.032 11.620 1.00 0.00 C ATOM 466 CG ARG A 29 -4.023 -2.449 12.487 1.00 0.00 C ATOM 467 CD ARG A 29 -3.820 -0.962 12.732 1.00 0.00 C ATOM 468 NE ARG A 29 -4.899 -0.384 13.532 1.00 0.00 N ATOM 469 CZ ARG A 29 -5.162 -0.738 14.787 1.00 0.00 C ATOM 470 NH1 ARG A 29 -4.415 -1.650 15.395 1.00 0.00 N ATOM 471 NH2 ARG A 29 -6.171 -0.174 15.438 1.00 0.00 N ATOM 0 H ARG A 29 -4.783 -3.318 10.082 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.809 -1.368 10.253 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.046 -4.113 11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.956 -2.852 12.102 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.987 -2.610 12.004 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.053 -2.975 13.441 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.869 -0.805 13.240 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.760 -0.442 11.776 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.484 0.333 13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.635 -2.083 14.900 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.620 -1.918 16.357 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.745 0.531 14.976 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.372 -0.446 16.400 1.00 0.00 H new ATOM 485 N SER A 30 -1.647 -4.281 9.205 1.00 0.00 N ATOM 486 CA SER A 30 -0.536 -4.917 8.503 1.00 0.00 C ATOM 487 C SER A 30 -0.258 -4.214 7.175 1.00 0.00 C ATOM 488 O SER A 30 0.887 -3.889 6.864 1.00 0.00 O ATOM 489 CB SER A 30 -0.844 -6.396 8.259 1.00 0.00 C ATOM 490 OG SER A 30 0.229 -7.039 7.594 1.00 0.00 O ATOM 0 H SER A 30 -2.399 -4.919 9.467 1.00 0.00 H new ATOM 0 HA SER A 30 0.354 -4.836 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.036 -6.892 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.752 -6.488 7.663 1.00 0.00 H new ATOM 0 HG SER A 30 0.007 -7.983 7.452 1.00 0.00 H new ATOM 496 N PHE A 31 -1.317 -3.979 6.403 1.00 0.00 N ATOM 497 CA PHE A 31 -1.202 -3.307 5.111 1.00 0.00 C ATOM 498 C PHE A 31 -0.446 -1.989 5.246 1.00 0.00 C ATOM 499 O PHE A 31 0.464 -1.697 4.466 1.00 0.00 O ATOM 500 CB PHE A 31 -2.596 -3.044 4.536 1.00 0.00 C ATOM 501 CG PHE A 31 -2.595 -2.151 3.329 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.026 -2.571 2.138 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.174 -0.892 3.385 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.031 -1.752 1.025 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.183 -0.069 2.275 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.610 -0.500 1.094 1.00 0.00 C ATOM 0 H PHE A 31 -2.269 -4.246 6.652 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.645 -3.957 4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.055 -3.996 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.219 -2.594 5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.573 -3.550 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.623 -0.551 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.583 -2.090 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.637 0.909 2.331 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.615 0.142 0.225 1.00 0.00 H new ATOM 516 N LEU A 32 -0.829 -1.195 6.238 1.00 0.00 N ATOM 517 CA LEU A 32 -0.190 0.090 6.474 1.00 0.00 C ATOM 518 C LEU A 32 1.293 -0.103 6.758 1.00 0.00 C ATOM 519 O LEU A 32 2.132 0.647 6.261 1.00 0.00 O ATOM 520 CB LEU A 32 -0.872 0.815 7.634 1.00 0.00 C ATOM 521 CG LEU A 32 -2.379 1.008 7.467 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.953 1.786 8.637 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.683 1.715 6.159 1.00 0.00 C ATOM 0 H LEU A 32 -1.579 -1.420 6.891 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.291 0.703 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.690 0.256 8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.406 1.792 7.759 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.849 0.025 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.027 1.912 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.768 1.240 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.477 2.765 8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.761 1.844 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.198 2.691 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.309 1.118 5.327 1.00 0.00 H new ATOM 535 N GLU A 33 1.607 -1.126 7.545 1.00 0.00 N ATOM 536 CA GLU A 33 2.990 -1.439 7.877 1.00 0.00 C ATOM 537 C GLU A 33 3.748 -1.829 6.616 1.00 0.00 C ATOM 538 O GLU A 33 4.949 -1.601 6.510 1.00 0.00 O ATOM 539 CB GLU A 33 3.054 -2.569 8.908 1.00 0.00 C ATOM 540 CG GLU A 33 4.470 -2.933 9.327 1.00 0.00 C ATOM 541 CD GLU A 33 4.506 -4.049 10.352 1.00 0.00 C ATOM 542 OE1 GLU A 33 3.931 -3.868 11.447 1.00 0.00 O ATOM 543 OE2 GLU A 33 5.107 -5.104 10.060 1.00 0.00 O ATOM 0 H GLU A 33 0.921 -1.753 7.965 1.00 0.00 H new ATOM 0 HA GLU A 33 3.455 -0.554 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.487 -2.276 9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.568 -3.453 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.039 -3.234 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.961 -2.051 9.738 1.00 0.00 H new ATOM 550 N ILE A 34 3.031 -2.412 5.654 1.00 0.00 N ATOM 551 CA ILE A 34 3.638 -2.814 4.392 1.00 0.00 C ATOM 552 C ILE A 34 4.173 -1.593 3.658 1.00 0.00 C ATOM 553 O ILE A 34 5.362 -1.509 3.350 1.00 0.00 O ATOM 554 CB ILE A 34 2.630 -3.548 3.499 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.158 -4.819 4.201 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.251 -3.873 2.146 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.101 -5.568 3.436 1.00 0.00 C ATOM 0 H ILE A 34 2.034 -2.614 5.727 1.00 0.00 H new ATOM 0 HA ILE A 34 4.459 -3.495 4.617 1.00 0.00 H new ATOM 0 HB ILE A 34 1.770 -2.902 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.013 -5.475 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.768 -4.558 5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.521 -4.394 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.553 -2.949 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.124 -4.509 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.812 -6.460 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.229 -4.928 3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.495 -5.860 2.462 1.00 0.00 H new ATOM 569 N LEU A 35 3.286 -0.631 3.409 1.00 0.00 N ATOM 570 CA LEU A 35 3.671 0.608 2.743 1.00 0.00 C ATOM 571 C LEU A 35 4.699 1.339 3.598 1.00 0.00 C ATOM 572 O LEU A 35 5.636 1.958 3.090 1.00 0.00 O ATOM 573 CB LEU A 35 2.445 1.499 2.524 1.00 0.00 C ATOM 574 CG LEU A 35 1.350 0.907 1.633 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.101 1.770 1.687 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.839 0.775 0.199 1.00 0.00 C ATOM 0 H LEU A 35 2.299 -0.687 3.658 1.00 0.00 H new ATOM 0 HA LEU A 35 4.104 0.372 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.011 1.734 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.776 2.441 2.086 1.00 0.00 H new ATOM 0 HG LEU A 35 1.104 -0.087 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.669 1.336 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.264 1.819 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.338 2.775 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.046 0.352 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.112 1.758 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.710 0.120 0.170 1.00 0.00 H new ATOM 588 N HIS A 36 4.511 1.242 4.910 1.00 0.00 N ATOM 589 CA HIS A 36 5.405 1.864 5.873 1.00 0.00 C ATOM 590 C HIS A 36 6.824 1.329 5.722 1.00 0.00 C ATOM 591 O HIS A 36 7.780 2.098 5.652 1.00 0.00 O ATOM 592 CB HIS A 36 4.884 1.622 7.293 1.00 0.00 C ATOM 593 CG HIS A 36 4.102 2.773 7.837 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.610 4.051 7.921 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.839 2.840 8.316 1.00 0.00 C ATOM 596 CE1 HIS A 36 3.693 4.855 8.425 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.607 4.145 8.674 1.00 0.00 N ATOM 0 H HIS A 36 3.736 0.731 5.332 1.00 0.00 H new ATOM 0 HA HIS A 36 5.432 2.937 5.683 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.256 0.731 7.296 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.728 1.420 7.953 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.142 2.019 8.401 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.810 5.914 8.604 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.738 4.507 9.068 1.00 0.00 H new ATOM 606 N THR A 37 6.947 0.009 5.652 1.00 0.00 N ATOM 607 CA THR A 37 8.243 -0.637 5.488 1.00 0.00 C ATOM 608 C THR A 37 8.895 -0.187 4.188 1.00 0.00 C ATOM 609 O THR A 37 10.110 0.000 4.120 1.00 0.00 O ATOM 610 CB THR A 37 8.105 -2.174 5.488 1.00 0.00 C ATOM 611 OG1 THR A 37 7.565 -2.618 6.739 1.00 0.00 O ATOM 612 CG2 THR A 37 9.446 -2.852 5.242 1.00 0.00 C ATOM 0 H THR A 37 6.160 -0.638 5.707 1.00 0.00 H new ATOM 0 HA THR A 37 8.869 -0.345 6.331 1.00 0.00 H new ATOM 0 HB THR A 37 7.429 -2.448 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.631 -2.331 6.812 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.313 -3.934 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.839 -2.540 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.147 -2.568 6.027 1.00 0.00 H new ATOM 620 N TYR A 38 8.067 0.001 3.164 1.00 0.00 N ATOM 621 CA TYR A 38 8.539 0.448 1.861 1.00 0.00 C ATOM 622 C TYR A 38 9.347 1.727 1.999 1.00 0.00 C ATOM 623 O TYR A 38 10.512 1.790 1.608 1.00 0.00 O ATOM 624 CB TYR A 38 7.341 0.701 0.946 1.00 0.00 C ATOM 625 CG TYR A 38 7.689 1.436 -0.325 1.00 0.00 C ATOM 626 CD1 TYR A 38 8.484 0.851 -1.299 1.00 0.00 C ATOM 627 CD2 TYR A 38 7.224 2.726 -0.541 1.00 0.00 C ATOM 628 CE1 TYR A 38 8.806 1.532 -2.459 1.00 0.00 C ATOM 629 CE2 TYR A 38 7.540 3.414 -1.696 1.00 0.00 C ATOM 630 CZ TYR A 38 8.331 2.812 -2.653 1.00 0.00 C ATOM 631 OH TYR A 38 8.651 3.494 -3.805 1.00 0.00 O ATOM 0 H TYR A 38 7.060 -0.151 3.215 1.00 0.00 H new ATOM 0 HA TYR A 38 9.176 -0.326 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.884 -0.255 0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.593 1.275 1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.857 -0.151 -1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.605 3.199 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.426 1.064 -3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.170 4.417 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 38 8.236 4.382 -3.786 1.00 0.00 H new ATOM 641 N GLN A 39 8.709 2.742 2.564 1.00 0.00 N ATOM 642 CA GLN A 39 9.352 4.033 2.770 1.00 0.00 C ATOM 643 C GLN A 39 10.569 3.901 3.679 1.00 0.00 C ATOM 644 O GLN A 39 11.614 4.498 3.422 1.00 0.00 O ATOM 645 CB GLN A 39 8.361 5.028 3.364 1.00 0.00 C ATOM 646 CG GLN A 39 7.287 5.464 2.384 1.00 0.00 C ATOM 647 CD GLN A 39 7.856 6.235 1.212 1.00 0.00 C ATOM 648 OE1 GLN A 39 8.556 5.679 0.366 1.00 0.00 O ATOM 649 NE2 GLN A 39 7.569 7.528 1.166 1.00 0.00 N ATOM 0 H GLN A 39 7.743 2.697 2.889 1.00 0.00 H new ATOM 0 HA GLN A 39 9.689 4.401 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.886 4.580 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.904 5.907 3.712 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.757 4.586 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.555 6.084 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.984 7.947 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.933 8.104 0.407 1.00 0.00 H new ATOM 658 N LYS A 40 10.423 3.115 4.743 1.00 0.00 N ATOM 659 CA LYS A 40 11.505 2.901 5.700 1.00 0.00 C ATOM 660 C LYS A 40 12.777 2.428 5.004 1.00 0.00 C ATOM 661 O LYS A 40 13.873 2.902 5.305 1.00 0.00 O ATOM 662 CB LYS A 40 11.083 1.873 6.755 1.00 0.00 C ATOM 663 CG LYS A 40 9.931 2.332 7.636 1.00 0.00 C ATOM 664 CD LYS A 40 10.344 3.491 8.527 1.00 0.00 C ATOM 665 CE LYS A 40 9.187 3.986 9.380 1.00 0.00 C ATOM 666 NZ LYS A 40 8.664 2.924 10.283 1.00 0.00 N ATOM 0 H LYS A 40 9.562 2.614 4.964 1.00 0.00 H new ATOM 0 HA LYS A 40 11.714 3.855 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.798 0.948 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.941 1.642 7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.090 2.633 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.589 1.501 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.165 3.179 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.717 4.309 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.514 4.839 9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.384 4.339 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.009 3.346 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.161 2.208 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.456 2.476 10.787 1.00 0.00 H new ATOM 680 N GLU A 41 12.625 1.484 4.083 1.00 0.00 N ATOM 681 CA GLU A 41 13.759 0.935 3.352 1.00 0.00 C ATOM 682 C GLU A 41 14.353 1.956 2.384 1.00 0.00 C ATOM 683 O GLU A 41 15.562 1.987 2.176 1.00 0.00 O ATOM 684 CB GLU A 41 13.340 -0.324 2.589 1.00 0.00 C ATOM 685 CG GLU A 41 14.471 -0.973 1.804 1.00 0.00 C ATOM 686 CD GLU A 41 15.599 -1.467 2.692 1.00 0.00 C ATOM 687 OE1 GLU A 41 16.234 -0.632 3.369 1.00 0.00 O ATOM 688 OE2 GLU A 41 15.845 -2.691 2.709 1.00 0.00 O ATOM 0 H GLU A 41 11.724 1.082 3.824 1.00 0.00 H new ATOM 0 HA GLU A 41 14.527 0.677 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.939 -1.049 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.533 -0.069 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.074 -1.810 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.868 -0.254 1.087 1.00 0.00 H new ATOM 695 N GLN A 42 13.494 2.775 1.783 1.00 0.00 N ATOM 696 CA GLN A 42 13.935 3.786 0.821 1.00 0.00 C ATOM 697 C GLN A 42 14.747 4.897 1.493 1.00 0.00 C ATOM 698 O GLN A 42 15.632 5.489 0.876 1.00 0.00 O ATOM 699 CB GLN A 42 12.728 4.387 0.095 1.00 0.00 C ATOM 700 CG GLN A 42 13.103 5.406 -0.969 1.00 0.00 C ATOM 701 CD GLN A 42 11.901 5.966 -1.713 1.00 0.00 C ATOM 702 OE1 GLN A 42 12.045 6.826 -2.581 1.00 0.00 O ATOM 703 NE2 GLN A 42 10.708 5.480 -1.384 1.00 0.00 N ATOM 0 H GLN A 42 12.487 2.760 1.944 1.00 0.00 H new ATOM 0 HA GLN A 42 14.584 3.290 0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.157 3.583 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.074 4.862 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.647 6.227 -0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.781 4.941 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.630 4.767 -0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.871 5.820 -1.857 1.00 0.00 H new ATOM 712 N LEU A 43 14.426 5.188 2.750 1.00 0.00 N ATOM 713 CA LEU A 43 15.112 6.240 3.503 1.00 0.00 C ATOM 714 C LEU A 43 16.535 5.839 3.886 1.00 0.00 C ATOM 715 O LEU A 43 16.731 4.839 4.578 1.00 0.00 O ATOM 716 CB LEU A 43 14.336 6.540 4.772 1.00 0.00 C ATOM 717 CG LEU A 43 12.898 7.019 4.561 1.00 0.00 C ATOM 718 CD1 LEU A 43 12.190 7.186 5.897 1.00 0.00 C ATOM 719 CD2 LEU A 43 12.875 8.326 3.779 1.00 0.00 C ATOM 0 H LEU A 43 13.692 4.709 3.273 1.00 0.00 H new ATOM 0 HA LEU A 43 15.166 7.119 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.315 5.640 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.876 7.300 5.337 1.00 0.00 H new ATOM 0 HG LEU A 43 12.368 6.263 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.169 7.527 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.171 6.230 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.722 7.920 6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.843 8.649 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.423 9.090 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.342 8.176 2.806 1.00 0.00 H new ATOM 731 N HIS A 44 17.518 6.637 3.455 1.00 0.00 N ATOM 732 CA HIS A 44 18.928 6.380 3.767 1.00 0.00 C ATOM 733 C HIS A 44 19.845 7.260 2.928 1.00 0.00 C ATOM 734 O HIS A 44 19.651 7.403 1.720 1.00 0.00 O ATOM 735 CB HIS A 44 19.274 4.907 3.544 1.00 0.00 C ATOM 736 CG HIS A 44 18.864 4.397 2.202 1.00 0.00 C ATOM 737 ND1 HIS A 44 19.606 4.590 1.056 1.00 0.00 N ATOM 738 CD2 HIS A 44 17.761 3.717 1.828 1.00 0.00 C ATOM 739 CE1 HIS A 44 18.973 4.045 0.031 1.00 0.00 C ATOM 740 NE2 HIS A 44 17.851 3.508 0.473 1.00 0.00 N ATOM 0 H HIS A 44 17.362 7.470 2.887 1.00 0.00 H new ATOM 0 HA HIS A 44 19.082 6.623 4.818 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.349 4.772 3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 44 18.791 4.307 4.315 1.00 0.00 H new ATOM 0 HD2 HIS A 44 16.957 3.396 2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 44 19.316 4.040 -0.993 1.00 0.00 H new ATOM 0 HE2 HIS A 44 17.163 3.018 -0.098 1.00 0.00 H new ATOM 749 N THR A 45 20.848 7.842 3.575 1.00 0.00 N ATOM 750 CA THR A 45 21.804 8.702 2.890 1.00 0.00 C ATOM 751 C THR A 45 23.215 8.128 2.991 1.00 0.00 C ATOM 752 O THR A 45 23.652 7.736 4.072 1.00 0.00 O ATOM 753 CB THR A 45 21.798 10.127 3.471 1.00 0.00 C ATOM 754 OG1 THR A 45 22.125 10.089 4.865 1.00 0.00 O ATOM 755 CG2 THR A 45 20.438 10.783 3.284 1.00 0.00 C ATOM 0 H THR A 45 21.020 7.733 4.575 1.00 0.00 H new ATOM 0 HA THR A 45 21.502 8.748 1.844 1.00 0.00 H new ATOM 0 HB THR A 45 22.545 10.715 2.938 1.00 0.00 H new ATOM 0 HG1 THR A 45 22.121 11.000 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 45 20.459 11.789 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.203 10.837 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 45 19.676 10.193 3.794 1.00 0.00 H new ATOM 763 N LYS A 46 23.917 8.086 1.858 1.00 0.00 N ATOM 764 CA LYS A 46 25.280 7.562 1.808 1.00 0.00 C ATOM 765 C LYS A 46 25.333 6.099 2.250 1.00 0.00 C ATOM 766 O LYS A 46 24.916 5.757 3.356 1.00 0.00 O ATOM 767 CB LYS A 46 26.194 8.412 2.687 1.00 0.00 C ATOM 768 CG LYS A 46 26.486 9.791 2.115 1.00 0.00 C ATOM 769 CD LYS A 46 27.252 9.701 0.806 1.00 0.00 C ATOM 770 CE LYS A 46 27.556 11.079 0.242 1.00 0.00 C ATOM 771 NZ LYS A 46 28.275 11.002 -1.058 1.00 0.00 N ATOM 0 H LYS A 46 23.561 8.411 0.959 1.00 0.00 H new ATOM 0 HA LYS A 46 25.624 7.609 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 46 25.735 8.526 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 46 27.136 7.883 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 46 25.549 10.325 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 46 27.063 10.370 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 46 28.184 9.158 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 46 26.671 9.130 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 46 26.625 11.630 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 46 28.159 11.639 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 28.463 11.963 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 29.176 10.499 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 27.690 10.490 -1.749 1.00 0.00 H new ATOM 785 N GLY A 47 25.852 5.239 1.378 1.00 0.00 N ATOM 786 CA GLY A 47 25.946 3.826 1.701 1.00 0.00 C ATOM 787 C GLY A 47 25.839 2.941 0.476 1.00 0.00 C ATOM 788 O GLY A 47 25.103 3.259 -0.460 1.00 0.00 O ATOM 0 H GLY A 47 26.208 5.494 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.895 3.634 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.155 3.564 2.404 1.00 0.00 H new ATOM 792 N ARG A 48 26.569 1.828 0.479 1.00 0.00 N ATOM 793 CA ARG A 48 26.543 0.896 -0.643 1.00 0.00 C ATOM 794 C ARG A 48 25.111 0.465 -0.957 1.00 0.00 C ATOM 795 O ARG A 48 24.348 0.124 -0.053 1.00 0.00 O ATOM 796 CB ARG A 48 27.400 -0.336 -0.337 1.00 0.00 C ATOM 797 CG ARG A 48 28.876 -0.026 -0.161 1.00 0.00 C ATOM 798 CD ARG A 48 29.677 -1.286 0.131 1.00 0.00 C ATOM 799 NE ARG A 48 31.106 -1.010 0.258 1.00 0.00 N ATOM 800 CZ ARG A 48 32.020 -1.945 0.506 1.00 0.00 C ATOM 801 NH1 ARG A 48 31.654 -3.211 0.652 1.00 0.00 N ATOM 802 NH2 ARG A 48 33.300 -1.614 0.605 1.00 0.00 N ATOM 0 H ARG A 48 27.184 1.551 1.244 1.00 0.00 H new ATOM 0 HA ARG A 48 26.954 1.407 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.027 -0.810 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 48 27.284 -1.058 -1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 48 29.260 0.450 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 48 29.005 0.686 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.313 -1.742 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.517 -2.010 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 48 31.421 -0.046 0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 48 30.670 -3.470 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 48 32.356 -3.926 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 48 33.586 -0.641 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 48 33.999 -2.332 0.795 1.00 0.00 H new ATOM 816 N PRO A 49 24.725 0.474 -2.246 1.00 0.00 N ATOM 817 CA PRO A 49 23.376 0.082 -2.670 1.00 0.00 C ATOM 818 C PRO A 49 23.079 -1.383 -2.372 1.00 0.00 C ATOM 819 O PRO A 49 23.978 -2.225 -2.377 1.00 0.00 O ATOM 820 CB PRO A 49 23.379 0.333 -4.181 1.00 0.00 C ATOM 821 CG PRO A 49 24.816 0.306 -4.568 1.00 0.00 C ATOM 822 CD PRO A 49 25.567 0.864 -3.393 1.00 0.00 C ATOM 0 HA PRO A 49 22.607 0.643 -2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.812 -0.433 -4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 49 22.922 1.292 -4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.141 -0.710 -4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 49 24.991 0.903 -5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 49 26.570 0.444 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.679 1.946 -3.462 1.00 0.00 H new ATOM 830 N PHE A 50 21.812 -1.679 -2.107 1.00 0.00 N ATOM 831 CA PHE A 50 21.387 -3.039 -1.802 1.00 0.00 C ATOM 832 C PHE A 50 20.016 -3.317 -2.418 1.00 0.00 C ATOM 833 O PHE A 50 19.334 -2.394 -2.862 1.00 0.00 O ATOM 834 CB PHE A 50 21.341 -3.246 -0.283 1.00 0.00 C ATOM 835 CG PHE A 50 21.102 -4.671 0.135 1.00 0.00 C ATOM 836 CD1 PHE A 50 21.882 -5.698 -0.374 1.00 0.00 C ATOM 837 CD2 PHE A 50 20.100 -4.981 1.040 1.00 0.00 C ATOM 838 CE1 PHE A 50 21.666 -7.007 0.012 1.00 0.00 C ATOM 839 CE2 PHE A 50 19.880 -6.288 1.429 1.00 0.00 C ATOM 840 CZ PHE A 50 20.664 -7.303 0.915 1.00 0.00 C ATOM 0 H PHE A 50 21.058 -0.992 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 50 22.106 -3.737 -2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 50 22.282 -2.905 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 50 20.553 -2.619 0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 50 22.667 -5.472 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 50 19.484 -4.192 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 50 22.280 -7.798 -0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 50 19.095 -6.517 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 50 20.494 -8.325 1.219 1.00 0.00 H new ATOM 850 N ARG A 51 19.626 -4.591 -2.453 1.00 0.00 N ATOM 851 CA ARG A 51 18.341 -4.989 -3.025 1.00 0.00 C ATOM 852 C ARG A 51 17.222 -4.082 -2.546 1.00 0.00 C ATOM 853 O ARG A 51 16.269 -3.801 -3.274 1.00 0.00 O ATOM 854 CB ARG A 51 18.027 -6.445 -2.674 1.00 0.00 C ATOM 855 CG ARG A 51 19.061 -7.427 -3.183 1.00 0.00 C ATOM 856 CD ARG A 51 18.758 -8.846 -2.731 1.00 0.00 C ATOM 857 NE ARG A 51 18.765 -8.972 -1.277 1.00 0.00 N ATOM 858 CZ ARG A 51 18.535 -10.111 -0.633 1.00 0.00 C ATOM 859 NH1 ARG A 51 18.276 -11.221 -1.311 1.00 0.00 N ATOM 860 NH2 ARG A 51 18.564 -10.143 0.693 1.00 0.00 N ATOM 0 H ARG A 51 20.183 -5.366 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 51 18.414 -4.894 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.949 -6.540 -1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.053 -6.708 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.092 -7.391 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 51 20.048 -7.134 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.784 -9.149 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 51 19.495 -9.527 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 51 18.958 -8.137 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 51 18.253 -11.202 -2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.100 -12.094 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 51 18.763 -9.292 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.387 -11.018 1.186 1.00 0.00 H new ATOM 874 N GLY A 52 17.364 -3.623 -1.322 1.00 0.00 N ATOM 875 CA GLY A 52 16.389 -2.735 -0.729 1.00 0.00 C ATOM 876 C GLY A 52 14.991 -3.306 -0.735 1.00 0.00 C ATOM 877 O GLY A 52 14.773 -4.452 -0.340 1.00 0.00 O ATOM 0 H GLY A 52 18.151 -3.852 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.682 -2.516 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 52 16.391 -1.789 -1.270 1.00 0.00 H new ATOM 881 N MET A 53 14.041 -2.490 -1.166 1.00 0.00 N ATOM 882 CA MET A 53 12.649 -2.886 -1.207 1.00 0.00 C ATOM 883 C MET A 53 11.829 -1.898 -2.028 1.00 0.00 C ATOM 884 O MET A 53 12.100 -0.696 -2.017 1.00 0.00 O ATOM 885 CB MET A 53 12.123 -2.956 0.216 1.00 0.00 C ATOM 886 CG MET A 53 10.630 -3.223 0.308 1.00 0.00 C ATOM 887 SD MET A 53 10.039 -3.285 2.009 1.00 0.00 S ATOM 888 CE MET A 53 8.281 -3.500 1.744 1.00 0.00 C ATOM 0 H MET A 53 14.216 -1.540 -1.495 1.00 0.00 H new ATOM 0 HA MET A 53 12.563 -3.863 -1.683 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.656 -3.741 0.752 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.346 -2.017 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 53 10.092 -2.444 -0.231 1.00 0.00 H new ATOM 0 HG3 MET A 53 10.403 -4.168 -0.186 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.736 -2.705 2.253 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.066 -3.460 0.676 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.969 -4.466 2.141 1.00 0.00 H new ATOM 898 N SER A 54 10.835 -2.408 -2.747 1.00 0.00 N ATOM 899 CA SER A 54 9.996 -1.574 -3.578 1.00 0.00 C ATOM 900 C SER A 54 8.648 -2.245 -3.855 1.00 0.00 C ATOM 901 O SER A 54 8.114 -2.952 -3.002 1.00 0.00 O ATOM 902 CB SER A 54 10.721 -1.286 -4.886 1.00 0.00 C ATOM 903 OG SER A 54 11.885 -0.507 -4.669 1.00 0.00 O ATOM 0 H SER A 54 10.596 -3.399 -2.766 1.00 0.00 H new ATOM 0 HA SER A 54 9.797 -0.640 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.994 -2.225 -5.367 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.051 -0.761 -5.567 1.00 0.00 H new ATOM 0 HG SER A 54 11.899 -0.191 -3.742 1.00 0.00 H new ATOM 909 N GLU A 55 8.104 -2.017 -5.049 1.00 0.00 N ATOM 910 CA GLU A 55 6.822 -2.594 -5.435 1.00 0.00 C ATOM 911 C GLU A 55 6.877 -4.118 -5.404 1.00 0.00 C ATOM 912 O GLU A 55 5.887 -4.776 -5.095 1.00 0.00 O ATOM 913 CB GLU A 55 6.412 -2.111 -6.830 1.00 0.00 C ATOM 914 CG GLU A 55 6.194 -0.607 -6.922 1.00 0.00 C ATOM 915 CD GLU A 55 7.469 0.189 -6.719 1.00 0.00 C ATOM 916 OE1 GLU A 55 8.421 -0.004 -7.505 1.00 0.00 O ATOM 917 OE2 GLU A 55 7.516 1.007 -5.776 1.00 0.00 O ATOM 0 H GLU A 55 8.535 -1.434 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 55 6.075 -2.262 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.182 -2.401 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.494 -2.620 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.773 -0.365 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.461 -0.305 -6.174 1.00 0.00 H new ATOM 924 N GLU A 56 8.040 -4.670 -5.732 1.00 0.00 N ATOM 925 CA GLU A 56 8.223 -6.117 -5.746 1.00 0.00 C ATOM 926 C GLU A 56 7.824 -6.741 -4.409 1.00 0.00 C ATOM 927 O GLU A 56 7.150 -7.771 -4.375 1.00 0.00 O ATOM 928 CB GLU A 56 9.678 -6.461 -6.072 1.00 0.00 C ATOM 929 CG GLU A 56 10.680 -5.853 -5.103 1.00 0.00 C ATOM 930 CD GLU A 56 12.113 -6.216 -5.443 1.00 0.00 C ATOM 931 OE1 GLU A 56 12.434 -7.423 -5.448 1.00 0.00 O ATOM 932 OE2 GLU A 56 12.913 -5.292 -5.702 1.00 0.00 O ATOM 0 H GLU A 56 8.870 -4.137 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 56 7.574 -6.530 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.795 -7.545 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.906 -6.117 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.573 -4.768 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.453 -6.191 -4.092 1.00 0.00 H new ATOM 939 N GLU A 57 8.246 -6.120 -3.311 1.00 0.00 N ATOM 940 CA GLU A 57 7.934 -6.627 -1.977 1.00 0.00 C ATOM 941 C GLU A 57 6.541 -6.201 -1.522 1.00 0.00 C ATOM 942 O GLU A 57 5.742 -7.031 -1.090 1.00 0.00 O ATOM 943 CB GLU A 57 8.965 -6.132 -0.962 1.00 0.00 C ATOM 944 CG GLU A 57 8.742 -6.671 0.443 1.00 0.00 C ATOM 945 CD GLU A 57 9.119 -8.136 0.576 1.00 0.00 C ATOM 946 OE1 GLU A 57 9.566 -8.729 -0.428 1.00 0.00 O ATOM 947 OE2 GLU A 57 8.967 -8.689 1.686 1.00 0.00 O ATOM 0 H GLU A 57 8.804 -5.266 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 57 7.963 -7.715 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.961 -6.419 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.940 -5.043 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.328 -6.084 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.694 -6.544 0.714 1.00 0.00 H new ATOM 954 N VAL A 58 6.266 -4.902 -1.602 1.00 0.00 N ATOM 955 CA VAL A 58 4.979 -4.358 -1.175 1.00 0.00 C ATOM 956 C VAL A 58 3.814 -5.084 -1.838 1.00 0.00 C ATOM 957 O VAL A 58 2.824 -5.408 -1.183 1.00 0.00 O ATOM 958 CB VAL A 58 4.878 -2.852 -1.484 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.574 -2.279 -0.951 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.071 -2.108 -0.901 1.00 0.00 C ATOM 0 H VAL A 58 6.919 -4.204 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 58 4.920 -4.508 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 58 4.887 -2.722 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.524 -1.215 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.733 -2.791 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.529 -2.420 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.984 -1.046 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.094 -2.247 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.991 -2.498 -1.336 1.00 0.00 H new ATOM 970 N PHE A 59 3.939 -5.348 -3.132 1.00 0.00 N ATOM 971 CA PHE A 59 2.894 -6.047 -3.870 1.00 0.00 C ATOM 972 C PHE A 59 2.675 -7.438 -3.287 1.00 0.00 C ATOM 973 O PHE A 59 1.548 -7.929 -3.231 1.00 0.00 O ATOM 974 CB PHE A 59 3.262 -6.157 -5.353 1.00 0.00 C ATOM 975 CG PHE A 59 2.210 -6.831 -6.188 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.914 -6.339 -6.226 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.515 -7.959 -6.932 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.055 -6.958 -6.991 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.549 -8.583 -7.700 1.00 0.00 C ATOM 980 CZ PHE A 59 0.263 -8.081 -7.730 1.00 0.00 C ATOM 0 H PHE A 59 4.752 -5.090 -3.692 1.00 0.00 H new ATOM 0 HA PHE A 59 1.971 -5.474 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.442 -5.157 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.197 -6.710 -5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.659 -5.461 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.519 -8.356 -6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.061 -6.564 -7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.800 -9.462 -8.276 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.493 -8.565 -8.330 1.00 0.00 H new ATOM 990 N THR A 60 3.765 -8.068 -2.861 1.00 0.00 N ATOM 991 CA THR A 60 3.704 -9.406 -2.288 1.00 0.00 C ATOM 992 C THR A 60 3.069 -9.391 -0.899 1.00 0.00 C ATOM 993 O THR A 60 2.181 -10.191 -0.611 1.00 0.00 O ATOM 994 CB THR A 60 5.106 -10.039 -2.198 1.00 0.00 C ATOM 995 OG1 THR A 60 5.702 -10.092 -3.501 1.00 0.00 O ATOM 996 CG2 THR A 60 5.035 -11.442 -1.615 1.00 0.00 C ATOM 0 H THR A 60 4.704 -7.671 -2.902 1.00 0.00 H new ATOM 0 HA THR A 60 3.083 -10.006 -2.954 1.00 0.00 H new ATOM 0 HB THR A 60 5.716 -9.420 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.177 -9.253 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.038 -11.865 -1.563 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.607 -11.399 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.409 -12.069 -2.250 1.00 0.00 H new ATOM 1004 N GLU A 61 3.531 -8.482 -0.045 1.00 0.00 N ATOM 1005 CA GLU A 61 3.014 -8.368 1.314 1.00 0.00 C ATOM 1006 C GLU A 61 1.507 -8.142 1.306 1.00 0.00 C ATOM 1007 O GLU A 61 0.766 -8.816 2.022 1.00 0.00 O ATOM 1008 CB GLU A 61 3.712 -7.224 2.050 1.00 0.00 C ATOM 1009 CG GLU A 61 5.222 -7.387 2.147 1.00 0.00 C ATOM 1010 CD GLU A 61 5.637 -8.617 2.933 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.307 -9.742 2.501 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.295 -8.454 3.983 1.00 0.00 O ATOM 0 H GLU A 61 4.265 -7.811 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 61 3.217 -9.304 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.489 -6.287 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.299 -7.146 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.641 -7.446 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.648 -6.501 2.618 1.00 0.00 H new ATOM 1019 N VAL A 62 1.056 -7.199 0.483 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.364 -6.900 0.377 1.00 0.00 C ATOM 1021 C VAL A 62 -1.111 -8.103 -0.185 1.00 0.00 C ATOM 1022 O VAL A 62 -2.187 -8.458 0.293 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.622 -5.671 -0.515 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -2.112 -5.388 -0.624 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.116 -4.458 0.027 1.00 0.00 C ATOM 0 H VAL A 62 1.654 -6.632 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.728 -6.674 1.379 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.244 -5.887 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.271 -4.516 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.615 -6.251 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.519 -5.194 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.077 -3.598 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.232 -4.242 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.186 -4.663 0.048 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.518 -8.740 -1.191 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.114 -9.920 -1.803 1.00 0.00 C ATOM 1037 C ALA A 63 -1.288 -11.013 -0.757 1.00 0.00 C ATOM 1038 O ALA A 63 -2.297 -11.718 -0.733 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.251 -10.415 -2.954 1.00 0.00 C ATOM 0 H ALA A 63 0.374 -8.458 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.094 -9.655 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.711 -11.297 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.164 -9.631 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.740 -10.672 -2.581 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.296 -11.125 0.121 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.317 -12.106 1.195 1.00 0.00 C ATOM 1047 C ASN A 64 -1.469 -11.817 2.156 1.00 0.00 C ATOM 1048 O ASN A 64 -2.122 -12.733 2.655 1.00 0.00 O ATOM 1049 CB ASN A 64 1.021 -12.099 1.943 1.00 0.00 C ATOM 1050 CG ASN A 64 2.141 -12.734 1.136 1.00 0.00 C ATOM 1051 OD1 ASN A 64 2.036 -13.885 0.710 1.00 0.00 O ATOM 1052 ND2 ASN A 64 3.229 -11.994 0.931 1.00 0.00 N ATOM 0 H ASN A 64 0.540 -10.541 0.107 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.469 -13.095 0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.291 -11.072 2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.909 -12.633 2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.014 -12.377 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.277 -11.044 1.301 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.712 -10.532 2.399 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.783 -10.099 3.287 1.00 0.00 C ATOM 1061 C LEU A 65 -4.154 -10.347 2.671 1.00 0.00 C ATOM 1062 O LEU A 65 -4.945 -11.145 3.174 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.636 -8.608 3.571 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.997 -8.248 4.908 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.770 -6.748 4.978 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.880 -8.709 6.059 1.00 0.00 C ATOM 0 H LEU A 65 -1.176 -9.768 1.989 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.707 -10.676 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.041 -8.162 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.624 -8.150 3.526 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.036 -8.756 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.313 -6.493 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.109 -6.442 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.725 -6.231 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.410 -8.445 7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.853 -8.223 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.010 -9.790 6.008 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.428 -9.624 1.590 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.706 -9.716 0.890 1.00 0.00 C ATOM 1080 C PHE A 66 -5.822 -11.002 0.072 1.00 0.00 C ATOM 1081 O PHE A 66 -6.362 -10.991 -1.034 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.871 -8.508 -0.038 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.821 -7.165 0.649 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.721 -7.061 2.031 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.864 -6.000 -0.101 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.670 -5.826 2.647 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.813 -4.762 0.510 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.717 -4.675 1.885 1.00 0.00 C ATOM 0 H PHE A 66 -3.774 -8.960 1.175 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.494 -9.727 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.088 -8.541 -0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.824 -8.597 -0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.683 -7.958 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.938 -6.061 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.594 -5.760 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.848 -3.863 -0.087 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.679 -3.708 2.364 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.324 -12.109 0.613 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.393 -13.388 -0.085 1.00 0.00 C ATOM 1100 C ARG A 67 -6.841 -13.849 -0.216 1.00 0.00 C ATOM 1101 O ARG A 67 -7.632 -13.718 0.718 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.560 -14.446 0.643 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.623 -15.822 -0.005 1.00 0.00 C ATOM 1104 CD ARG A 67 -3.667 -16.802 0.656 1.00 0.00 C ATOM 1105 NE ARG A 67 -2.270 -16.405 0.486 1.00 0.00 N ATOM 1106 CZ ARG A 67 -1.240 -17.110 0.947 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -1.447 -18.243 1.607 1.00 0.00 N ATOM 1108 NH2 ARG A 67 0.001 -16.685 0.747 1.00 0.00 N ATOM 0 H ARG A 67 -4.871 -12.147 1.526 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.981 -13.254 -1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.521 -14.117 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.906 -14.523 1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.640 -16.208 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.381 -15.736 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.897 -16.872 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.816 -17.795 0.232 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.074 -15.538 -0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.398 -18.576 1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.655 -18.780 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.167 -15.816 0.239 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.789 -17.227 1.101 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.181 -14.381 -1.386 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.534 -14.847 -1.625 1.00 0.00 C ATOM 1124 C GLY A 68 -9.421 -13.773 -2.225 1.00 0.00 C ATOM 1125 O GLY A 68 -10.168 -14.034 -3.169 1.00 0.00 O ATOM 0 H GLY A 68 -6.543 -14.498 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.506 -15.706 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.968 -15.189 -0.686 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.339 -12.560 -1.682 1.00 0.00 N ATOM 1130 CA GLN A 69 -10.141 -11.449 -2.180 1.00 0.00 C ATOM 1131 C GLN A 69 -9.682 -11.040 -3.575 1.00 0.00 C ATOM 1132 O GLN A 69 -10.429 -11.164 -4.547 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.050 -10.250 -1.229 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.766 -10.446 0.101 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.147 -11.530 0.965 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -10.229 -12.717 0.652 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -9.519 -11.121 2.062 1.00 0.00 N ATOM 0 H GLN A 69 -8.728 -12.324 -0.901 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.179 -11.778 -2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.999 -10.035 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.467 -9.375 -1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.759 -9.505 0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.810 -10.696 -0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.475 -10.126 2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.081 -11.802 2.683 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.434 -10.582 -3.662 1.00 0.00 N ATOM 1147 CA GLU A 70 -7.826 -10.175 -4.922 1.00 0.00 C ATOM 1148 C GLU A 70 -8.569 -9.030 -5.620 1.00 0.00 C ATOM 1149 O GLU A 70 -8.016 -8.390 -6.515 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.735 -11.387 -5.820 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.462 -12.192 -5.625 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.395 -13.413 -6.521 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -7.347 -13.636 -7.298 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -5.386 -14.148 -6.446 1.00 0.00 O ATOM 0 H GLU A 70 -7.816 -10.484 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.833 -9.781 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.595 -12.031 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.796 -11.064 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.601 -11.554 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.393 -12.507 -4.584 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.809 -8.761 -5.213 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.583 -7.681 -5.817 1.00 0.00 C ATOM 1163 C ASP A 71 -9.886 -6.350 -5.581 1.00 0.00 C ATOM 1164 O ASP A 71 -9.673 -5.570 -6.510 1.00 0.00 O ATOM 1165 CB ASP A 71 -11.995 -7.645 -5.239 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.839 -6.537 -5.839 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -13.041 -6.545 -7.072 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.299 -5.662 -5.076 1.00 0.00 O ATOM 0 H ASP A 71 -10.294 -9.271 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.655 -7.861 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.481 -8.604 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.939 -7.510 -4.159 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.513 -6.116 -4.330 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.810 -4.902 -3.945 1.00 0.00 C ATOM 1175 C LEU A 72 -7.407 -4.909 -4.534 1.00 0.00 C ATOM 1176 O LEU A 72 -6.880 -3.874 -4.944 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.736 -4.810 -2.422 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.087 -4.714 -1.720 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.942 -5.033 -0.240 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.681 -3.326 -1.913 1.00 0.00 C ATOM 0 H LEU A 72 -9.688 -6.759 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.351 -4.037 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.208 -5.686 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.140 -3.938 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.763 -5.446 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.915 -4.960 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.553 -6.044 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.253 -4.324 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.645 -3.269 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.007 -2.580 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.817 -3.133 -2.977 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.819 -6.100 -4.575 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.491 -6.296 -5.103 1.00 0.00 C ATOM 1194 C LEU A 73 -5.389 -5.747 -6.517 1.00 0.00 C ATOM 1195 O LEU A 73 -4.379 -5.156 -6.897 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.191 -7.787 -5.101 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.916 -8.207 -4.371 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.747 -7.308 -4.742 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.152 -8.187 -2.873 1.00 0.00 C ATOM 0 H LEU A 73 -7.260 -6.956 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.769 -5.764 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.035 -8.308 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.124 -8.127 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.661 -9.221 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.855 -7.632 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.568 -7.368 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.979 -6.278 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.240 -8.487 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.430 -7.180 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.956 -8.879 -2.622 1.00 0.00 H new ATOM 1211 N SER A 74 -6.449 -5.955 -7.289 1.00 0.00 N ATOM 1212 CA SER A 74 -6.499 -5.490 -8.666 1.00 0.00 C ATOM 1213 C SER A 74 -6.237 -3.992 -8.739 1.00 0.00 C ATOM 1214 O SER A 74 -5.511 -3.522 -9.614 1.00 0.00 O ATOM 1215 CB SER A 74 -7.861 -5.815 -9.280 1.00 0.00 C ATOM 1216 OG SER A 74 -7.918 -5.415 -10.638 1.00 0.00 O ATOM 0 H SER A 74 -7.289 -6.445 -6.981 1.00 0.00 H new ATOM 0 HA SER A 74 -5.721 -6.003 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.051 -6.886 -9.205 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.647 -5.312 -8.716 1.00 0.00 H new ATOM 0 HG SER A 74 -8.799 -5.635 -11.007 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.828 -3.246 -7.808 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.653 -1.800 -7.764 1.00 0.00 C ATOM 1224 C GLU A 75 -5.223 -1.446 -7.372 1.00 0.00 C ATOM 1225 O GLU A 75 -4.612 -0.545 -7.950 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.635 -1.177 -6.771 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.091 -1.481 -7.080 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.042 -0.855 -6.078 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -10.037 0.387 -5.953 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.789 -1.608 -5.420 1.00 0.00 O ATOM 0 H GLU A 75 -7.431 -3.621 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.852 -1.400 -8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.402 -1.537 -5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.493 -0.096 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.330 -1.117 -8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.239 -2.561 -7.090 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.699 -2.163 -6.384 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.342 -1.937 -5.899 1.00 0.00 C ATOM 1239 C PHE A 76 -2.330 -2.081 -7.031 1.00 0.00 C ATOM 1240 O PHE A 76 -1.414 -1.270 -7.168 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.016 -2.930 -4.781 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.703 -2.674 -4.099 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.376 -1.405 -3.642 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.795 -3.703 -3.909 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.170 -1.171 -3.011 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.413 -3.475 -3.279 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.725 -2.206 -2.830 1.00 0.00 C ATOM 0 H PHE A 76 -5.197 -2.910 -5.901 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.281 -0.921 -5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.812 -2.898 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.008 -3.938 -5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.072 -0.591 -3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.035 -4.697 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.073 -0.179 -2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.112 -4.286 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.669 -2.024 -2.338 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.506 -3.121 -7.839 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.608 -3.365 -8.952 1.00 0.00 C ATOM 1259 C GLY A 77 -1.602 -2.229 -9.955 1.00 0.00 C ATOM 1260 O GLY A 77 -0.555 -1.882 -10.503 1.00 0.00 O ATOM 0 H GLY A 77 -3.259 -3.802 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.597 -3.515 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.900 -4.287 -9.455 1.00 0.00 H new ATOM 1264 N GLN A 78 -2.776 -1.650 -10.199 1.00 0.00 N ATOM 1265 CA GLN A 78 -2.907 -0.548 -11.146 1.00 0.00 C ATOM 1266 C GLN A 78 -1.951 0.588 -10.795 1.00 0.00 C ATOM 1267 O GLN A 78 -1.276 1.137 -11.665 1.00 0.00 O ATOM 1268 CB GLN A 78 -4.345 -0.027 -11.157 1.00 0.00 C ATOM 1269 CG GLN A 78 -5.381 -1.098 -11.457 1.00 0.00 C ATOM 1270 CD GLN A 78 -6.799 -0.567 -11.406 1.00 0.00 C ATOM 1271 OE1 GLN A 78 -7.236 -0.025 -10.391 1.00 0.00 O ATOM 1272 NE2 GLN A 78 -7.531 -0.729 -12.501 1.00 0.00 N ATOM 0 H GLN A 78 -3.650 -1.927 -9.753 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.653 -0.923 -12.137 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.568 0.420 -10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.429 0.766 -11.900 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.189 -1.517 -12.445 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.276 -1.912 -10.739 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.129 -1.184 -13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.496 -0.399 -12.523 1.00 0.00 H new ATOM 1281 N PHE A 79 -1.901 0.933 -9.511 1.00 0.00 N ATOM 1282 CA PHE A 79 -1.030 2.002 -9.039 1.00 0.00 C ATOM 1283 C PHE A 79 0.439 1.617 -9.189 1.00 0.00 C ATOM 1284 O PHE A 79 1.259 2.420 -9.636 1.00 0.00 O ATOM 1285 CB PHE A 79 -1.336 2.338 -7.575 1.00 0.00 C ATOM 1286 CG PHE A 79 -2.663 3.018 -7.362 1.00 0.00 C ATOM 1287 CD1 PHE A 79 -3.832 2.482 -7.881 1.00 0.00 C ATOM 1288 CD2 PHE A 79 -2.739 4.195 -6.634 1.00 0.00 C ATOM 1289 CE1 PHE A 79 -5.048 3.107 -7.680 1.00 0.00 C ATOM 1290 CE2 PHE A 79 -3.952 4.825 -6.430 1.00 0.00 C ATOM 1291 CZ PHE A 79 -5.108 4.280 -6.954 1.00 0.00 C ATOM 0 H PHE A 79 -2.454 0.487 -8.780 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.220 2.883 -9.652 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.314 1.418 -6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.545 2.981 -7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.792 1.565 -8.449 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.839 4.625 -6.221 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.950 2.678 -8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.996 5.742 -5.862 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.057 4.770 -6.796 1.00 0.00 H new ATOM 1301 N LEU A 80 0.766 0.386 -8.806 1.00 0.00 N ATOM 1302 CA LEU A 80 2.137 -0.107 -8.893 1.00 0.00 C ATOM 1303 C LEU A 80 2.601 -0.210 -10.346 1.00 0.00 C ATOM 1304 O LEU A 80 1.900 -0.768 -11.191 1.00 0.00 O ATOM 1305 CB LEU A 80 2.255 -1.476 -8.218 1.00 0.00 C ATOM 1306 CG LEU A 80 1.864 -1.516 -6.739 1.00 0.00 C ATOM 1307 CD1 LEU A 80 2.004 -2.929 -6.194 1.00 0.00 C ATOM 1308 CD2 LEU A 80 2.715 -0.547 -5.931 1.00 0.00 C ATOM 0 H LEU A 80 0.099 -0.289 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 80 2.778 0.608 -8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.629 -2.185 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.284 -1.821 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 80 0.822 -1.210 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.723 -2.942 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.352 -3.601 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.038 -3.258 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.421 -0.591 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.766 -0.820 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.569 0.466 -6.306 1.00 0.00 H new ATOM 1320 N PRO A 81 3.800 0.318 -10.651 1.00 0.00 N ATOM 1321 CA PRO A 81 4.367 0.274 -12.003 1.00 0.00 C ATOM 1322 C PRO A 81 4.706 -1.152 -12.429 1.00 0.00 C ATOM 1323 O PRO A 81 5.063 -1.986 -11.597 1.00 0.00 O ATOM 1324 CB PRO A 81 5.642 1.117 -11.904 1.00 0.00 C ATOM 1325 CG PRO A 81 5.542 1.849 -10.608 1.00 0.00 C ATOM 1326 CD PRO A 81 4.706 0.989 -9.709 1.00 0.00 C ATOM 0 HA PRO A 81 3.664 0.647 -12.748 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.531 0.487 -11.930 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.718 1.811 -12.741 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.529 2.018 -10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.084 2.828 -10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.313 0.275 -9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.160 1.582 -8.975 1.00 0.00 H new ATOM 1334 N GLU A 82 4.584 -1.427 -13.725 1.00 0.00 N ATOM 1335 CA GLU A 82 4.873 -2.755 -14.256 1.00 0.00 C ATOM 1336 C GLU A 82 6.353 -3.109 -14.088 1.00 0.00 C ATOM 1337 O GLU A 82 7.015 -2.624 -13.169 1.00 0.00 O ATOM 1338 CB GLU A 82 4.478 -2.824 -15.732 1.00 0.00 C ATOM 1339 CG GLU A 82 5.209 -1.813 -16.602 1.00 0.00 C ATOM 1340 CD GLU A 82 4.813 -1.907 -18.063 1.00 0.00 C ATOM 1341 OE1 GLU A 82 5.013 -2.983 -18.664 1.00 0.00 O ATOM 1342 OE2 GLU A 82 4.303 -0.904 -18.606 1.00 0.00 O ATOM 0 H GLU A 82 4.287 -0.748 -14.426 1.00 0.00 H new ATOM 0 HA GLU A 82 4.288 -3.482 -13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.679 -3.827 -16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.404 -2.659 -15.821 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.001 -0.807 -16.237 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.284 -1.970 -16.510 1.00 0.00 H new ATOM 1349 N ALA A 83 6.867 -3.954 -14.982 1.00 0.00 N ATOM 1350 CA ALA A 83 8.266 -4.371 -14.933 1.00 0.00 C ATOM 1351 C ALA A 83 8.612 -5.280 -16.108 1.00 0.00 C ATOM 1352 O ALA A 83 9.268 -6.309 -15.938 1.00 0.00 O ATOM 1353 CB ALA A 83 8.564 -5.077 -13.618 1.00 0.00 C ATOM 0 H ALA A 83 6.334 -4.363 -15.749 1.00 0.00 H new ATOM 0 HA ALA A 83 8.884 -3.476 -15.002 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.610 -5.381 -13.597 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.367 -4.399 -12.788 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.928 -5.958 -13.526 1.00 0.00 H new ATOM 1359 N LYS A 84 8.169 -4.896 -17.300 1.00 0.00 N ATOM 1360 CA LYS A 84 8.435 -5.678 -18.502 1.00 0.00 C ATOM 1361 C LYS A 84 9.934 -5.766 -18.769 1.00 0.00 C ATOM 1362 O LYS A 84 10.660 -4.785 -18.606 1.00 0.00 O ATOM 1363 CB LYS A 84 7.728 -5.061 -19.710 1.00 0.00 C ATOM 1364 CG LYS A 84 7.883 -5.878 -20.984 1.00 0.00 C ATOM 1365 CD LYS A 84 7.226 -5.195 -22.173 1.00 0.00 C ATOM 1366 CE LYS A 84 7.926 -3.893 -22.527 1.00 0.00 C ATOM 1367 NZ LYS A 84 9.354 -4.112 -22.888 1.00 0.00 N ATOM 0 H LYS A 84 7.624 -4.049 -17.460 1.00 0.00 H new ATOM 0 HA LYS A 84 8.049 -6.685 -18.341 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.667 -4.952 -19.484 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.122 -4.059 -19.880 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.942 -6.031 -21.192 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.441 -6.864 -20.840 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.244 -5.864 -23.033 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.179 -4.996 -21.946 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.409 -3.418 -23.361 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.866 -3.207 -21.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.722 -3.270 -23.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.908 -4.282 -22.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.431 -4.937 -23.516 1.00 0.00 H new ATOM 1381 N ARG A 85 10.389 -6.946 -19.180 1.00 0.00 N ATOM 1382 CA ARG A 85 11.802 -7.164 -19.471 1.00 0.00 C ATOM 1383 C ARG A 85 12.018 -8.489 -20.196 1.00 0.00 C ATOM 1384 O ARG A 85 11.044 -9.262 -20.317 1.00 0.00 O ATOM 1385 CB ARG A 85 12.624 -7.122 -18.174 1.00 0.00 C ATOM 1386 CG ARG A 85 12.024 -7.927 -17.027 1.00 0.00 C ATOM 1387 CD ARG A 85 12.064 -9.425 -17.290 1.00 0.00 C ATOM 1388 NE ARG A 85 11.399 -10.185 -16.234 1.00 0.00 N ATOM 1389 CZ ARG A 85 10.098 -10.098 -15.964 1.00 0.00 C ATOM 1390 NH1 ARG A 85 9.318 -9.305 -16.687 1.00 0.00 N ATOM 1391 NH2 ARG A 85 9.576 -10.810 -14.975 1.00 0.00 N ATOM 1392 OXT ARG A 85 13.158 -8.742 -20.638 1.00 0.00 O ATOM 0 H ARG A 85 9.799 -7.766 -19.319 1.00 0.00 H new ATOM 0 HA ARG A 85 12.140 -6.363 -20.129 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.627 -7.497 -18.380 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.730 -6.084 -17.858 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.568 -7.707 -16.108 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.992 -7.616 -16.869 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.586 -9.638 -18.246 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.101 -9.751 -17.373 1.00 0.00 H new ATOM 0 HE ARG A 85 11.965 -10.820 -15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.714 -8.760 -17.452 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.322 -9.241 -16.478 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.171 -11.425 -14.420 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.579 -10.743 -14.769 1.00 0.00 H new TER 1406 ARG A 85 ATOM 1407 N ASN B 1 3.146 6.201 -6.837 1.00 0.00 N ATOM 1408 CA ASN B 1 1.752 6.257 -6.325 1.00 0.00 C ATOM 1409 C ASN B 1 1.700 5.956 -4.831 1.00 0.00 C ATOM 1410 O ASN B 1 0.895 6.535 -4.102 1.00 0.00 O ATOM 1411 CB ASN B 1 0.902 5.250 -7.100 1.00 0.00 C ATOM 1412 CG ASN B 1 0.864 5.553 -8.584 1.00 0.00 C ATOM 1413 OD1 ASN B 1 1.889 5.513 -9.264 1.00 0.00 O ATOM 1414 ND2 ASN B 1 -0.322 5.865 -9.095 1.00 0.00 N ATOM 0 H1 ASN B 1 3.161 6.492 -7.835 1.00 0.00 H new ATOM 0 H2 ASN B 1 3.746 6.842 -6.280 1.00 0.00 H new ATOM 0 H3 ASN B 1 3.507 5.229 -6.754 1.00 0.00 H new ATOM 0 HA ASN B 1 1.360 7.264 -6.469 1.00 0.00 H new ATOM 0 HB2 ASN B 1 1.300 4.247 -6.946 1.00 0.00 H new ATOM 0 HB3 ASN B 1 -0.114 5.254 -6.704 1.00 0.00 H new ATOM 0 HD21 ASN B 1 -0.408 6.083 -10.088 1.00 0.00 H new ATOM 0 HD22 ASN B 1 -1.146 5.886 -8.495 1.00 0.00 H new ATOM 1423 N ILE B 2 2.564 5.048 -4.383 1.00 0.00 N ATOM 1424 CA ILE B 2 2.623 4.665 -2.974 1.00 0.00 C ATOM 1425 C ILE B 2 2.768 5.892 -2.075 1.00 0.00 C ATOM 1426 O ILE B 2 2.388 5.861 -0.906 1.00 0.00 O ATOM 1427 CB ILE B 2 3.789 3.689 -2.707 1.00 0.00 C ATOM 1428 CG1 ILE B 2 3.611 2.411 -3.536 1.00 0.00 C ATOM 1429 CG2 ILE B 2 3.882 3.356 -1.224 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.334 1.656 -3.226 1.00 0.00 C ATOM 0 H ILE B 2 3.235 4.562 -4.978 1.00 0.00 H new ATOM 0 HA ILE B 2 1.684 4.163 -2.739 1.00 0.00 H new ATOM 0 HB ILE B 2 4.720 4.171 -3.006 1.00 0.00 H new ATOM 0 HG12 ILE B 2 3.621 2.671 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.463 1.754 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.710 2.667 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.051 4.271 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE B 2 2.952 2.892 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.278 0.764 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.330 1.364 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE B 2 1.475 2.296 -3.428 1.00 0.00 H new ATOM 1442 N GLN B 3 3.310 6.973 -2.630 1.00 0.00 N ATOM 1443 CA GLN B 3 3.487 8.208 -1.875 1.00 0.00 C ATOM 1444 C GLN B 3 2.158 8.668 -1.285 1.00 0.00 C ATOM 1445 O GLN B 3 2.024 8.809 -0.069 1.00 0.00 O ATOM 1446 CB GLN B 3 4.079 9.296 -2.781 1.00 0.00 C ATOM 1447 CG GLN B 3 3.842 10.715 -2.287 1.00 0.00 C ATOM 1448 CD GLN B 3 4.228 10.913 -0.836 1.00 0.00 C ATOM 1449 OE1 GLN B 3 5.388 10.751 -0.459 1.00 0.00 O ATOM 1450 NE2 GLN B 3 3.246 11.260 -0.012 1.00 0.00 N ATOM 0 H GLN B 3 3.633 7.018 -3.597 1.00 0.00 H new ATOM 0 HA GLN B 3 4.179 8.022 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.152 9.130 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN B 3 3.652 9.194 -3.779 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.412 11.408 -2.906 1.00 0.00 H new ATOM 0 HG3 GLN B 3 2.789 10.966 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.299 11.383 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN B 3 3.439 11.404 0.979 1.00 0.00 H new ATOM 1459 N MET B 4 1.176 8.885 -2.151 1.00 0.00 N ATOM 1460 CA MET B 4 -0.146 9.312 -1.715 1.00 0.00 C ATOM 1461 C MET B 4 -0.947 8.119 -1.201 1.00 0.00 C ATOM 1462 O MET B 4 -1.821 8.264 -0.349 1.00 0.00 O ATOM 1463 CB MET B 4 -0.890 10.001 -2.858 1.00 0.00 C ATOM 1464 CG MET B 4 -1.102 9.113 -4.073 1.00 0.00 C ATOM 1465 SD MET B 4 -2.007 9.947 -5.392 1.00 0.00 S ATOM 1466 CE MET B 4 -2.088 8.646 -6.620 1.00 0.00 C ATOM 0 H MET B 4 1.271 8.772 -3.160 1.00 0.00 H new ATOM 0 HA MET B 4 -0.027 10.027 -0.901 1.00 0.00 H new ATOM 0 HB2 MET B 4 -1.859 10.342 -2.495 1.00 0.00 H new ATOM 0 HB3 MET B 4 -0.333 10.888 -3.160 1.00 0.00 H new ATOM 0 HG2 MET B 4 -0.134 8.785 -4.452 1.00 0.00 H new ATOM 0 HG3 MET B 4 -1.647 8.218 -3.773 1.00 0.00 H new ATOM 0 HE1 MET B 4 -2.161 9.088 -7.614 1.00 0.00 H new ATOM 0 HE2 MET B 4 -1.189 8.033 -6.561 1.00 0.00 H new ATOM 0 HE3 MET B 4 -2.964 8.024 -6.434 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.632 6.938 -1.730 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.306 5.706 -1.334 1.00 0.00 C ATOM 1478 C LEU B 5 -1.132 5.479 0.166 1.00 0.00 C ATOM 1479 O LEU B 5 -2.088 5.170 0.878 1.00 0.00 O ATOM 1480 CB LEU B 5 -0.723 4.525 -2.125 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.641 3.310 -2.298 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.904 2.639 -0.964 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -2.950 3.719 -2.961 1.00 0.00 C ATOM 0 H LEU B 5 0.091 6.810 -2.438 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.371 5.787 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.437 4.883 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU B 5 0.190 4.197 -1.628 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.137 2.592 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.558 1.779 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.960 2.307 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.383 3.348 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.589 2.843 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.456 4.459 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.743 4.148 -3.941 1.00 0.00 H new ATOM 1495 N LEU B 6 0.099 5.653 0.634 1.00 0.00 N ATOM 1496 CA LEU B 6 0.430 5.490 2.045 1.00 0.00 C ATOM 1497 C LEU B 6 -0.014 6.715 2.838 1.00 0.00 C ATOM 1498 O LEU B 6 -0.598 6.595 3.916 1.00 0.00 O ATOM 1499 CB LEU B 6 1.938 5.272 2.204 1.00 0.00 C ATOM 1500 CG LEU B 6 2.467 5.289 3.643 1.00 0.00 C ATOM 1501 CD1 LEU B 6 1.804 4.208 4.483 1.00 0.00 C ATOM 1502 CD2 LEU B 6 3.979 5.112 3.650 1.00 0.00 C ATOM 0 H LEU B 6 0.893 5.910 0.048 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.096 4.618 2.433 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.197 4.314 1.753 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.459 6.043 1.636 1.00 0.00 H new ATOM 0 HG LEU B 6 2.222 6.256 4.083 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.198 4.243 5.499 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.727 4.374 4.506 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.011 3.231 4.047 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.342 5.126 4.678 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.236 4.159 3.187 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.443 5.924 3.090 1.00 0.00 H new ATOM 1514 N GLU B 7 0.266 7.891 2.287 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.102 9.152 2.922 1.00 0.00 C ATOM 1516 C GLU B 7 -1.604 9.203 3.187 1.00 0.00 C ATOM 1517 O GLU B 7 -2.054 9.793 4.170 1.00 0.00 O ATOM 1518 CB GLU B 7 0.320 10.328 2.033 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.048 11.692 2.598 1.00 0.00 C ATOM 1520 CD GLU B 7 0.667 12.006 3.900 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.506 11.188 4.334 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.392 13.076 4.484 1.00 0.00 O ATOM 0 H GLU B 7 0.750 7.998 1.396 1.00 0.00 H new ATOM 0 HA GLU B 7 0.417 9.225 3.878 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.399 10.287 1.882 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.144 10.215 1.053 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.192 12.461 1.863 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.125 11.733 2.762 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.370 8.580 2.300 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.823 8.544 2.422 1.00 0.00 C ATOM 1531 C ALA B 8 -4.254 7.927 3.749 1.00 0.00 C ATOM 1532 O ALA B 8 -5.181 8.413 4.397 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.421 7.766 1.260 1.00 0.00 C ATOM 0 H ALA B 8 -2.006 8.090 1.483 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.192 9.569 2.396 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.506 7.743 1.358 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.151 8.250 0.321 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -4.035 6.747 1.267 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.579 6.852 4.141 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.891 6.158 5.386 1.00 0.00 C ATOM 1541 C ALA B 9 -3.817 7.100 6.583 1.00 0.00 C ATOM 1542 O ALA B 9 -4.721 7.126 7.418 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.944 4.986 5.580 1.00 0.00 C ATOM 0 H ALA B 9 -2.809 6.441 3.613 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.913 5.786 5.317 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.185 4.474 6.512 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.049 4.291 4.747 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.918 5.351 5.621 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.737 7.869 6.659 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.541 8.813 7.754 1.00 0.00 C ATOM 1551 C ASP B 10 -3.670 9.840 7.793 1.00 0.00 C ATOM 1552 O ASP B 10 -4.130 10.235 8.864 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.193 9.523 7.607 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.890 10.454 8.767 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.661 11.415 8.978 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.119 10.222 9.465 1.00 0.00 O ATOM 0 H ASP B 10 -1.982 7.857 5.974 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.549 8.255 8.690 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.401 8.778 7.529 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.187 10.093 6.678 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.102 10.272 6.613 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.168 11.261 6.495 1.00 0.00 C ATOM 1563 C TYR B 11 -6.466 10.778 7.141 1.00 0.00 C ATOM 1564 O TYR B 11 -7.036 11.461 7.991 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.419 11.579 5.020 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.583 12.516 4.790 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.582 13.803 5.318 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.682 12.113 4.043 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.646 14.659 5.106 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.748 12.964 3.827 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.726 14.236 4.361 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.785 15.086 4.148 1.00 0.00 O ATOM 0 H TYR B 11 -3.728 9.951 5.720 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.845 12.159 7.021 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.518 12.021 4.594 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.601 10.648 4.483 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.738 14.138 5.902 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.703 11.118 3.624 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.631 15.655 5.522 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.595 12.635 3.243 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.463 14.634 3.603 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.933 9.606 6.720 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.173 9.042 7.243 1.00 0.00 C ATOM 1584 C LEU B 12 -8.097 8.797 8.749 1.00 0.00 C ATOM 1585 O LEU B 12 -8.999 9.184 9.491 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.514 7.743 6.511 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.911 7.912 5.041 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -9.132 6.555 4.390 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.164 8.768 4.922 1.00 0.00 C ATOM 0 H LEU B 12 -6.471 9.028 6.018 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.964 9.771 7.069 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.653 7.077 6.565 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.331 7.251 7.038 1.00 0.00 H new ATOM 0 HG LEU B 12 -8.097 8.417 4.521 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.413 6.694 3.346 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -8.213 5.972 4.444 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.928 6.026 4.913 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.431 8.877 3.871 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.984 8.289 5.457 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.975 9.751 5.353 1.00 0.00 H new ATOM 1601 N GLU B 13 -7.024 8.152 9.198 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.855 7.865 10.619 1.00 0.00 C ATOM 1603 C GLU B 13 -6.699 9.154 11.420 1.00 0.00 C ATOM 1604 O GLU B 13 -7.208 9.206 12.560 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.643 6.958 10.846 1.00 0.00 C ATOM 1606 CG GLU B 13 -4.324 7.584 10.425 1.00 0.00 C ATOM 1607 CD GLU B 13 -3.142 6.663 10.659 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -3.125 5.558 10.078 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -2.234 7.048 11.425 1.00 0.00 O ATOM 1610 OXT GLU B 13 -6.071 10.100 10.902 1.00 0.00 O ATOM 0 H GLU B 13 -6.264 7.820 8.604 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.750 7.348 10.964 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.590 6.696 11.903 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -5.787 6.029 10.294 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.372 7.847 9.368 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -4.173 8.511 10.978 1.00 0.00 H new TER 1617 GLU B 13