USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 848 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 49 SER OG : rot 180:sc= -0.356 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 138:sc= -1.25! (180deg=-0.711) USER MOD Set 2.1: A 36 SER OG : rot 173:sc= 1.69 USER MOD Set 2.2: A 40 TYR OH : rot -75:sc= -1.94! USER MOD Set 3.1: A 32 TYR OH : rot -70:sc= -1.67! USER MOD Set 3.2: A 93 THR OG1 : rot 153:sc= 0.659 USER MOD Single : A 17 ASN : amide:sc= -0.278 K(o=-0.28,f=-3.2!) USER MOD Single : A 22 GLN : amide:sc= -1.43 K(o=-1.4,f=-4.3!) USER MOD Single : A 26 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.62) USER MOD Single : A 33 ASN : amide:sc=-0.00912 X(o=-0.0091,f=0) USER MOD Single : A 37 ASN : amide:sc= -7.88! C(o=-7.9!,f=-4.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -68:sc= 0.0393 USER MOD Single : A 53 GLN : amide:sc= -6.74! C(o=-6.7!,f=-6.8!) USER MOD Single : A 56 SER OG : rot -82:sc= 0.0835! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -2.19! USER MOD Single : A 63 GLN : amide:sc= -7.32! C(o=-7.3!,f=-13!) USER MOD Single : A 69 THR OG1 : rot -35:sc= -1.43! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0896 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 89:sc= 0.148 USER MOD Single : A 75 SER OG : rot 67:sc= 0.491 USER MOD Single : A 79 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.16) USER MOD Single : A 80 SER OG : rot 41:sc= 1.11 USER MOD Single : A 84 HIS : no HE2:sc= -7.16! C(o=-7.2!,f=-17!) USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= 0.599 (180deg=0.491) USER MOD Single : A 92 TYR OH : rot 180:sc= -3.12! USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.603 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= -3.28! USER MOD Single : A 101 SER OG : rot -153:sc= -3.82! USER MOD Single : A 106 ASN : amide:sc= -0.0376 K(o=-0.038,f=-2.1!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 50:sc= 0.345 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.69 K(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -12.378 11.203 18.988 1.00 0.00 N ATOM 2 CA GLY A 9 -11.767 12.510 18.610 1.00 0.00 C ATOM 3 C GLY A 9 -11.103 12.384 17.239 1.00 0.00 C ATOM 4 O GLY A 9 -11.728 12.577 16.214 1.00 0.00 O ATOM 0 HA2 GLY A 9 -12.531 13.287 18.586 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.031 12.809 19.356 1.00 0.00 H new ATOM 7 N ALA A 10 -9.839 12.064 17.209 1.00 0.00 N ATOM 8 CA ALA A 10 -9.136 11.926 15.902 1.00 0.00 C ATOM 9 C ALA A 10 -8.618 10.494 15.748 1.00 0.00 C ATOM 10 O ALA A 10 -8.783 9.678 16.633 1.00 0.00 O ATOM 11 CB ALA A 10 -7.958 12.902 15.854 1.00 0.00 C ATOM 0 H ALA A 10 -9.262 11.892 18.033 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.829 12.150 15.091 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.442 12.803 14.899 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.326 13.922 15.964 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.266 12.677 16.665 1.00 0.00 H new ATOM 17 N PRO A 11 -8.004 10.237 14.623 1.00 0.00 N ATOM 18 CA PRO A 11 -7.429 8.903 14.286 1.00 0.00 C ATOM 19 C PRO A 11 -6.051 8.738 14.933 1.00 0.00 C ATOM 20 O PRO A 11 -5.419 9.702 15.320 1.00 0.00 O ATOM 21 CB PRO A 11 -7.317 8.951 12.768 1.00 0.00 C ATOM 22 CG PRO A 11 -7.245 10.423 12.372 1.00 0.00 C ATOM 23 CD PRO A 11 -7.804 11.246 13.537 1.00 0.00 C ATOM 0 HA PRO A 11 -8.030 8.066 14.642 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.429 8.417 12.430 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.176 8.468 12.302 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.216 10.712 12.159 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.821 10.604 11.465 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.111 12.030 13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.740 11.735 13.268 1.00 0.00 H new ATOM 31 N VAL A 12 -5.579 7.528 15.057 1.00 0.00 N ATOM 32 CA VAL A 12 -4.255 7.306 15.675 1.00 0.00 C ATOM 33 C VAL A 12 -3.330 6.719 14.608 1.00 0.00 C ATOM 34 O VAL A 12 -3.758 5.909 13.817 1.00 0.00 O ATOM 35 CB VAL A 12 -4.426 6.293 16.813 1.00 0.00 C ATOM 36 CG1 VAL A 12 -3.055 5.787 17.240 1.00 0.00 C ATOM 37 CG2 VAL A 12 -5.146 6.923 18.017 1.00 0.00 C ATOM 0 H VAL A 12 -6.062 6.683 14.753 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.837 8.235 16.063 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.036 5.465 16.453 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.169 5.066 18.049 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.564 5.307 16.393 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.449 6.625 17.584 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.252 6.180 18.807 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.564 7.767 18.388 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.133 7.270 17.710 1.00 0.00 H new ATOM 47 N PRO A 13 -2.095 7.139 14.602 1.00 0.00 N ATOM 48 CA PRO A 13 -1.092 6.657 13.614 1.00 0.00 C ATOM 49 C PRO A 13 -0.496 5.325 14.062 1.00 0.00 C ATOM 50 O PRO A 13 -0.478 4.999 15.231 1.00 0.00 O ATOM 51 CB PRO A 13 -0.047 7.764 13.617 1.00 0.00 C ATOM 52 CG PRO A 13 -0.158 8.482 14.962 1.00 0.00 C ATOM 53 CD PRO A 13 -1.525 8.134 15.566 1.00 0.00 C ATOM 0 HA PRO A 13 -1.508 6.473 12.623 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.953 7.351 13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.219 8.458 12.794 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.645 8.170 15.629 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.062 9.560 14.829 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.425 7.711 16.566 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.160 9.015 15.654 1.00 0.00 H new ATOM 61 N VAL A 14 -0.022 4.552 13.131 1.00 0.00 N ATOM 62 CA VAL A 14 0.559 3.230 13.483 1.00 0.00 C ATOM 63 C VAL A 14 2.073 3.243 13.256 1.00 0.00 C ATOM 64 O VAL A 14 2.586 3.974 12.432 1.00 0.00 O ATOM 65 CB VAL A 14 -0.071 2.164 12.596 1.00 0.00 C ATOM 66 CG1 VAL A 14 0.704 0.865 12.728 1.00 0.00 C ATOM 67 CG2 VAL A 14 -1.520 1.926 13.011 1.00 0.00 C ATOM 0 H VAL A 14 -0.011 4.779 12.137 1.00 0.00 H new ATOM 0 HA VAL A 14 0.359 3.015 14.533 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.043 2.506 11.562 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.251 0.105 12.092 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.738 1.025 12.421 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.681 0.531 13.765 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.961 1.162 12.371 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.551 1.592 14.048 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.084 2.853 12.911 1.00 0.00 H new ATOM 77 N ASP A 15 2.785 2.423 13.980 1.00 0.00 N ATOM 78 CA ASP A 15 4.274 2.348 13.826 1.00 0.00 C ATOM 79 C ASP A 15 4.870 1.492 14.942 1.00 0.00 C ATOM 80 O ASP A 15 4.203 1.127 15.889 1.00 0.00 O ATOM 81 CB ASP A 15 4.917 3.741 13.901 1.00 0.00 C ATOM 82 CG ASP A 15 3.961 4.747 14.548 1.00 0.00 C ATOM 83 OD1 ASP A 15 3.504 4.477 15.646 1.00 0.00 O ATOM 84 OD2 ASP A 15 3.703 5.768 13.933 1.00 0.00 O ATOM 0 H ASP A 15 2.397 1.792 14.682 1.00 0.00 H new ATOM 0 HA ASP A 15 4.478 1.909 12.849 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.841 3.689 14.476 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.183 4.078 12.899 1.00 0.00 H new ATOM 89 N GLU A 16 6.134 1.191 14.837 1.00 0.00 N ATOM 90 CA GLU A 16 6.804 0.378 15.894 1.00 0.00 C ATOM 91 C GLU A 16 6.073 -0.963 16.078 1.00 0.00 C ATOM 92 O GLU A 16 5.275 -1.107 16.983 1.00 0.00 O ATOM 93 CB GLU A 16 6.758 1.149 17.215 1.00 0.00 C ATOM 94 CG GLU A 16 8.066 1.920 17.402 1.00 0.00 C ATOM 95 CD GLU A 16 8.486 1.861 18.872 1.00 0.00 C ATOM 96 OE1 GLU A 16 7.689 1.408 19.678 1.00 0.00 O ATOM 97 OE2 GLU A 16 9.597 2.267 19.168 1.00 0.00 O ATOM 0 H GLU A 16 6.735 1.473 14.063 1.00 0.00 H new ATOM 0 HA GLU A 16 7.835 0.187 15.597 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.914 1.838 17.217 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.608 0.459 18.046 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.846 1.492 16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.937 2.957 17.091 1.00 0.00 H new ATOM 104 N ASN A 17 6.321 -1.947 15.239 1.00 0.00 N ATOM 105 CA ASN A 17 5.615 -3.253 15.405 1.00 0.00 C ATOM 106 C ASN A 17 4.177 -3.107 14.897 1.00 0.00 C ATOM 107 O ASN A 17 3.229 -3.367 15.609 1.00 0.00 O ATOM 108 CB ASN A 17 5.588 -3.632 16.887 1.00 0.00 C ATOM 109 CG ASN A 17 5.725 -5.149 17.028 1.00 0.00 C ATOM 110 OD1 ASN A 17 6.152 -5.821 16.110 1.00 0.00 O ATOM 111 ND2 ASN A 17 5.378 -5.722 18.149 1.00 0.00 N ATOM 0 H ASN A 17 6.974 -1.899 14.457 1.00 0.00 H new ATOM 0 HA ASN A 17 6.134 -4.028 14.841 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.399 -3.132 17.416 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.656 -3.296 17.342 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.466 -6.733 18.254 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.020 -5.159 18.920 1.00 0.00 H new ATOM 118 N ASP A 18 4.003 -2.672 13.674 1.00 0.00 N ATOM 119 CA ASP A 18 2.632 -2.489 13.139 1.00 0.00 C ATOM 120 C ASP A 18 2.284 -3.637 12.206 1.00 0.00 C ATOM 121 O ASP A 18 2.101 -3.462 11.019 1.00 0.00 O ATOM 122 CB ASP A 18 2.568 -1.174 12.370 1.00 0.00 C ATOM 123 CG ASP A 18 3.687 -1.139 11.326 1.00 0.00 C ATOM 124 OD1 ASP A 18 4.207 -2.197 11.011 1.00 0.00 O ATOM 125 OD2 ASP A 18 4.002 -0.057 10.861 1.00 0.00 O ATOM 0 H ASP A 18 4.756 -2.437 13.027 1.00 0.00 H new ATOM 0 HA ASP A 18 1.920 -2.471 13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.598 -1.072 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.670 -0.333 13.056 1.00 0.00 H new ATOM 130 N GLU A 19 2.183 -4.806 12.746 1.00 0.00 N ATOM 131 CA GLU A 19 1.833 -5.987 11.909 1.00 0.00 C ATOM 132 C GLU A 19 0.453 -5.771 11.281 1.00 0.00 C ATOM 133 O GLU A 19 0.202 -6.174 10.162 1.00 0.00 O ATOM 134 CB GLU A 19 1.810 -7.247 12.778 1.00 0.00 C ATOM 135 CG GLU A 19 0.731 -7.105 13.854 1.00 0.00 C ATOM 136 CD GLU A 19 -0.565 -7.756 13.366 1.00 0.00 C ATOM 137 OE1 GLU A 19 -0.492 -8.861 12.853 1.00 0.00 O ATOM 138 OE2 GLU A 19 -1.607 -7.140 13.516 1.00 0.00 O ATOM 0 H GLU A 19 2.327 -5.004 13.736 1.00 0.00 H new ATOM 0 HA GLU A 19 2.578 -6.108 11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.611 -8.123 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.784 -7.399 13.243 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.061 -7.576 14.780 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.560 -6.052 14.076 1.00 0.00 H new ATOM 145 N GLY A 20 -0.442 -5.133 11.986 1.00 0.00 N ATOM 146 CA GLY A 20 -1.800 -4.890 11.418 1.00 0.00 C ATOM 147 C GLY A 20 -1.679 -3.946 10.221 1.00 0.00 C ATOM 148 O GLY A 20 -2.101 -4.260 9.123 1.00 0.00 O ATOM 0 H GLY A 20 -0.293 -4.770 12.928 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.253 -5.832 11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.452 -4.455 12.175 1.00 0.00 H new ATOM 152 N LEU A 21 -1.091 -2.797 10.416 1.00 0.00 N ATOM 153 CA LEU A 21 -0.933 -1.849 9.283 1.00 0.00 C ATOM 154 C LEU A 21 -0.185 -2.560 8.160 1.00 0.00 C ATOM 155 O LEU A 21 -0.355 -2.256 6.998 1.00 0.00 O ATOM 156 CB LEU A 21 -0.140 -0.623 9.739 1.00 0.00 C ATOM 157 CG LEU A 21 0.291 0.193 8.519 1.00 0.00 C ATOM 158 CD1 LEU A 21 -0.034 1.669 8.751 1.00 0.00 C ATOM 159 CD2 LEU A 21 1.797 0.030 8.306 1.00 0.00 C ATOM 0 H LEU A 21 -0.715 -2.477 11.309 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.911 -1.521 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.749 -0.009 10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.736 -0.935 10.308 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.243 -0.161 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.273 2.250 7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.107 1.786 8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.500 2.025 9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.107 0.611 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.330 0.385 9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.029 -1.022 8.141 1.00 0.00 H new ATOM 171 N GLN A 22 0.640 -3.519 8.497 1.00 0.00 N ATOM 172 CA GLN A 22 1.386 -4.256 7.440 1.00 0.00 C ATOM 173 C GLN A 22 0.399 -5.054 6.595 1.00 0.00 C ATOM 174 O GLN A 22 0.519 -5.125 5.391 1.00 0.00 O ATOM 175 CB GLN A 22 2.400 -5.200 8.082 1.00 0.00 C ATOM 176 CG GLN A 22 3.594 -4.390 8.596 1.00 0.00 C ATOM 177 CD GLN A 22 4.530 -5.306 9.384 1.00 0.00 C ATOM 178 OE1 GLN A 22 4.180 -6.427 9.702 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.715 -4.876 9.719 1.00 0.00 N ATOM 0 H GLN A 22 0.827 -3.820 9.454 1.00 0.00 H new ATOM 0 HA GLN A 22 1.918 -3.546 6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.936 -5.746 8.903 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.734 -5.941 7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.128 -3.939 7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.248 -3.574 9.230 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.011 -3.937 9.453 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.346 -5.479 10.246 1.00 0.00 H new ATOM 188 N ARG A 23 -0.588 -5.642 7.210 1.00 0.00 N ATOM 189 CA ARG A 23 -1.590 -6.415 6.428 1.00 0.00 C ATOM 190 C ARG A 23 -2.411 -5.431 5.592 1.00 0.00 C ATOM 191 O ARG A 23 -3.039 -5.792 4.617 1.00 0.00 O ATOM 192 CB ARG A 23 -2.513 -7.177 7.384 1.00 0.00 C ATOM 193 CG ARG A 23 -2.629 -8.633 6.924 1.00 0.00 C ATOM 194 CD ARG A 23 -3.133 -8.673 5.480 1.00 0.00 C ATOM 195 NE ARG A 23 -3.061 -10.071 4.970 1.00 0.00 N ATOM 196 CZ ARG A 23 -1.936 -10.537 4.502 1.00 0.00 C ATOM 197 NH1 ARG A 23 -1.194 -9.796 3.725 1.00 0.00 N ATOM 198 NH2 ARG A 23 -1.555 -11.746 4.809 1.00 0.00 N ATOM 0 H ARG A 23 -0.744 -5.621 8.218 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.088 -7.132 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.118 -7.135 8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.498 -6.711 7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.660 -9.127 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.313 -9.178 7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.159 -8.309 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.531 -8.014 4.854 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.891 -10.664 4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.494 -8.851 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.315 -10.161 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.136 -12.326 5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.676 -12.112 4.444 1.00 0.00 H new ATOM 212 N ALA A 24 -2.392 -4.179 5.970 1.00 0.00 N ATOM 213 CA ALA A 24 -3.149 -3.146 5.208 1.00 0.00 C ATOM 214 C ALA A 24 -2.385 -2.804 3.936 1.00 0.00 C ATOM 215 O ALA A 24 -2.911 -2.868 2.841 1.00 0.00 O ATOM 216 CB ALA A 24 -3.302 -1.887 6.066 1.00 0.00 C ATOM 0 H ALA A 24 -1.881 -3.827 6.779 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.136 -3.530 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.856 -1.132 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.843 -2.133 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.316 -1.499 6.322 1.00 0.00 H new ATOM 222 N LEU A 25 -1.145 -2.444 4.073 1.00 0.00 N ATOM 223 CA LEU A 25 -0.338 -2.100 2.892 1.00 0.00 C ATOM 224 C LEU A 25 -0.229 -3.310 1.971 1.00 0.00 C ATOM 225 O LEU A 25 -0.300 -3.200 0.775 1.00 0.00 O ATOM 226 CB LEU A 25 1.040 -1.685 3.402 1.00 0.00 C ATOM 227 CG LEU A 25 2.023 -1.484 2.241 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.516 -2.844 1.741 1.00 0.00 C ATOM 229 CD2 LEU A 25 1.333 -0.739 1.101 1.00 0.00 C ATOM 0 H LEU A 25 -0.656 -2.375 4.966 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.794 -1.291 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.956 -0.762 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.425 -2.447 4.080 1.00 0.00 H new ATOM 0 HG LEU A 25 2.873 -0.898 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.214 -2.697 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.019 -3.370 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.667 -3.435 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.036 -0.599 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.478 -1.319 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.992 0.233 1.456 1.00 0.00 H new ATOM 241 N GLN A 26 -0.043 -4.463 2.515 1.00 0.00 N ATOM 242 CA GLN A 26 0.089 -5.670 1.650 1.00 0.00 C ATOM 243 C GLN A 26 -1.251 -6.038 1.001 1.00 0.00 C ATOM 244 O GLN A 26 -1.289 -6.667 -0.039 1.00 0.00 O ATOM 245 CB GLN A 26 0.590 -6.848 2.488 1.00 0.00 C ATOM 246 CG GLN A 26 1.522 -7.717 1.641 1.00 0.00 C ATOM 247 CD GLN A 26 2.847 -7.913 2.380 1.00 0.00 C ATOM 248 OE1 GLN A 26 3.371 -6.988 2.968 1.00 0.00 O ATOM 249 NE2 GLN A 26 3.413 -9.089 2.377 1.00 0.00 N ATOM 0 H GLN A 26 0.025 -4.633 3.518 1.00 0.00 H new ATOM 0 HA GLN A 26 0.803 -5.445 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.117 -6.483 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.253 -7.440 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.057 -8.683 1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.699 -7.245 0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.973 -9.866 1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.295 -9.232 2.868 1.00 0.00 H new ATOM 258 N PHE A 27 -2.345 -5.661 1.594 1.00 0.00 N ATOM 259 CA PHE A 27 -3.673 -6.001 1.002 1.00 0.00 C ATOM 260 C PHE A 27 -3.945 -5.103 -0.205 1.00 0.00 C ATOM 261 O PHE A 27 -4.148 -5.554 -1.326 1.00 0.00 O ATOM 262 CB PHE A 27 -4.721 -5.749 2.075 1.00 0.00 C ATOM 263 CG PHE A 27 -6.074 -6.292 1.683 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.288 -6.849 0.417 1.00 0.00 C ATOM 265 CD2 PHE A 27 -7.128 -6.218 2.602 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.558 -7.329 0.075 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.393 -6.699 2.261 1.00 0.00 C ATOM 268 CZ PHE A 27 -8.611 -7.254 0.998 1.00 0.00 C ATOM 0 H PHE A 27 -2.381 -5.131 2.465 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.697 -7.039 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.402 -6.211 3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.800 -4.678 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.477 -6.908 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.961 -5.787 3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.727 -7.758 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.203 -6.642 2.973 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.590 -7.625 0.732 1.00 0.00 H new ATOM 278 N ALA A 28 -3.933 -3.834 0.023 1.00 0.00 N ATOM 279 CA ALA A 28 -4.184 -2.867 -1.076 1.00 0.00 C ATOM 280 C ALA A 28 -3.010 -2.874 -2.043 1.00 0.00 C ATOM 281 O ALA A 28 -3.180 -2.997 -3.236 1.00 0.00 O ATOM 282 CB ALA A 28 -4.335 -1.482 -0.479 1.00 0.00 C ATOM 0 H ALA A 28 -3.758 -3.412 0.935 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.091 -3.145 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.520 -0.761 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.173 -1.476 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.421 -1.212 0.050 1.00 0.00 H new ATOM 288 N ILE A 29 -1.821 -2.741 -1.541 1.00 0.00 N ATOM 289 CA ILE A 29 -0.643 -2.750 -2.442 1.00 0.00 C ATOM 290 C ILE A 29 -0.731 -3.991 -3.317 1.00 0.00 C ATOM 291 O ILE A 29 -0.586 -3.924 -4.518 1.00 0.00 O ATOM 292 CB ILE A 29 0.649 -2.761 -1.605 1.00 0.00 C ATOM 293 CG1 ILE A 29 1.766 -2.093 -2.386 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.062 -4.185 -1.265 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.223 -0.808 -2.974 1.00 0.00 C ATOM 0 H ILE A 29 -1.613 -2.627 -0.549 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.629 -1.859 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 29 0.462 -2.218 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.615 -1.885 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.125 -2.752 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.977 -4.167 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.269 -4.667 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.236 -4.743 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.008 -0.307 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.386 -1.035 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.884 -0.155 -2.170 1.00 0.00 H new ATOM 307 N ALA A 30 -0.998 -5.116 -2.719 1.00 0.00 N ATOM 308 CA ALA A 30 -1.136 -6.363 -3.517 1.00 0.00 C ATOM 309 C ALA A 30 -1.999 -6.035 -4.729 1.00 0.00 C ATOM 310 O ALA A 30 -1.705 -6.410 -5.850 1.00 0.00 O ATOM 311 CB ALA A 30 -1.821 -7.441 -2.672 1.00 0.00 C ATOM 0 H ALA A 30 -1.127 -5.226 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.159 -6.734 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.921 -8.354 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.221 -7.644 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.809 -7.093 -2.370 1.00 0.00 H new ATOM 317 N GLU A 31 -3.058 -5.302 -4.505 1.00 0.00 N ATOM 318 CA GLU A 31 -3.940 -4.911 -5.638 1.00 0.00 C ATOM 319 C GLU A 31 -3.175 -4.009 -6.612 1.00 0.00 C ATOM 320 O GLU A 31 -3.271 -4.163 -7.814 1.00 0.00 O ATOM 321 CB GLU A 31 -5.165 -4.167 -5.104 1.00 0.00 C ATOM 322 CG GLU A 31 -6.029 -5.127 -4.287 1.00 0.00 C ATOM 323 CD GLU A 31 -7.498 -4.952 -4.681 1.00 0.00 C ATOM 324 OE1 GLU A 31 -7.885 -3.829 -4.957 1.00 0.00 O ATOM 325 OE2 GLU A 31 -8.209 -5.943 -4.698 1.00 0.00 O ATOM 0 H GLU A 31 -3.348 -4.959 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.262 -5.810 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.852 -3.326 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.743 -3.755 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.714 -6.156 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.901 -4.932 -3.222 1.00 0.00 H new ATOM 332 N TYR A 32 -2.415 -3.071 -6.113 1.00 0.00 N ATOM 333 CA TYR A 32 -1.654 -2.171 -7.035 1.00 0.00 C ATOM 334 C TYR A 32 -0.804 -3.019 -7.985 1.00 0.00 C ATOM 335 O TYR A 32 -0.813 -2.825 -9.187 1.00 0.00 O ATOM 336 CB TYR A 32 -0.748 -1.242 -6.222 1.00 0.00 C ATOM 337 CG TYR A 32 -0.133 -0.204 -7.123 1.00 0.00 C ATOM 338 CD1 TYR A 32 -0.936 0.733 -7.779 1.00 0.00 C ATOM 339 CD2 TYR A 32 1.253 -0.172 -7.290 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.354 1.695 -8.597 1.00 0.00 C ATOM 341 CE2 TYR A 32 1.837 0.785 -8.107 1.00 0.00 C ATOM 342 CZ TYR A 32 1.038 1.725 -8.767 1.00 0.00 C ATOM 343 OH TYR A 32 1.616 2.678 -9.579 1.00 0.00 O ATOM 0 H TYR A 32 -2.287 -2.888 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.355 -1.569 -7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.324 -0.756 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.035 -1.821 -5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.008 0.710 -7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.873 -0.895 -6.781 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.975 2.420 -9.102 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.909 0.804 -8.234 1.00 0.00 H new ATOM 0 HH TYR A 32 1.397 2.487 -10.515 1.00 0.00 H new ATOM 353 N ASN A 33 -0.070 -3.958 -7.455 1.00 0.00 N ATOM 354 CA ASN A 33 0.783 -4.824 -8.316 1.00 0.00 C ATOM 355 C ASN A 33 -0.080 -5.523 -9.369 1.00 0.00 C ATOM 356 O ASN A 33 0.232 -5.512 -10.542 1.00 0.00 O ATOM 357 CB ASN A 33 1.477 -5.877 -7.448 1.00 0.00 C ATOM 358 CG ASN A 33 2.218 -6.869 -8.347 1.00 0.00 C ATOM 359 OD1 ASN A 33 2.003 -8.061 -8.263 1.00 0.00 O ATOM 360 ND2 ASN A 33 3.087 -6.422 -9.214 1.00 0.00 N ATOM 0 H ASN A 33 -0.024 -4.164 -6.457 1.00 0.00 H new ATOM 0 HA ASN A 33 1.530 -4.208 -8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.177 -5.397 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.743 -6.402 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.585 -7.074 -9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.268 -5.421 -9.285 1.00 0.00 H new ATOM 367 N ARG A 34 -1.163 -6.134 -8.965 1.00 0.00 N ATOM 368 CA ARG A 34 -2.031 -6.830 -9.959 1.00 0.00 C ATOM 369 C ARG A 34 -2.719 -5.795 -10.851 1.00 0.00 C ATOM 370 O ARG A 34 -3.292 -6.122 -11.871 1.00 0.00 O ATOM 371 CB ARG A 34 -3.089 -7.663 -9.228 1.00 0.00 C ATOM 372 CG ARG A 34 -2.415 -8.508 -8.146 1.00 0.00 C ATOM 373 CD ARG A 34 -3.242 -9.771 -7.899 1.00 0.00 C ATOM 374 NE ARG A 34 -2.612 -10.575 -6.813 1.00 0.00 N ATOM 375 CZ ARG A 34 -1.466 -11.167 -7.018 1.00 0.00 C ATOM 376 NH1 ARG A 34 -0.957 -11.209 -8.218 1.00 0.00 N ATOM 377 NH2 ARG A 34 -0.831 -11.718 -6.019 1.00 0.00 N ATOM 0 H ARG A 34 -1.482 -6.181 -7.997 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.418 -7.488 -10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.837 -7.009 -8.780 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.612 -8.308 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.405 -8.776 -8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.324 -7.933 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.261 -9.502 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.305 -10.361 -8.813 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.076 -10.663 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.454 -10.779 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.062 -11.672 -8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.230 -11.686 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.064 -12.181 -6.177 1.00 0.00 H new ATOM 391 N ALA A 35 -2.682 -4.553 -10.463 1.00 0.00 N ATOM 392 CA ALA A 35 -3.351 -3.495 -11.273 1.00 0.00 C ATOM 393 C ALA A 35 -2.413 -2.953 -12.357 1.00 0.00 C ATOM 394 O ALA A 35 -2.843 -2.275 -13.268 1.00 0.00 O ATOM 395 CB ALA A 35 -3.776 -2.348 -10.354 1.00 0.00 C ATOM 0 H ALA A 35 -2.217 -4.222 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.223 -3.933 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.266 -1.572 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.469 -2.723 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.897 -1.930 -9.863 1.00 0.00 H new ATOM 401 N SER A 36 -1.141 -3.227 -12.275 1.00 0.00 N ATOM 402 CA SER A 36 -0.211 -2.697 -13.316 1.00 0.00 C ATOM 403 C SER A 36 -0.413 -3.454 -14.632 1.00 0.00 C ATOM 404 O SER A 36 -0.900 -2.895 -15.588 1.00 0.00 O ATOM 405 CB SER A 36 1.235 -2.876 -12.850 1.00 0.00 C ATOM 406 OG SER A 36 2.110 -2.231 -13.763 1.00 0.00 O ATOM 0 H SER A 36 -0.707 -3.788 -11.542 1.00 0.00 H new ATOM 0 HA SER A 36 -0.420 -1.639 -13.472 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.361 -2.457 -11.852 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.478 -3.936 -12.784 1.00 0.00 H new ATOM 0 HG SER A 36 3.023 -2.245 -13.407 1.00 0.00 H new ATOM 412 N ASN A 37 -0.052 -4.720 -14.654 1.00 0.00 N ATOM 413 CA ASN A 37 -0.201 -5.600 -15.872 1.00 0.00 C ATOM 414 C ASN A 37 1.143 -6.269 -16.164 1.00 0.00 C ATOM 415 O ASN A 37 1.209 -7.423 -16.537 1.00 0.00 O ATOM 416 CB ASN A 37 -0.643 -4.814 -17.131 1.00 0.00 C ATOM 417 CG ASN A 37 0.476 -3.866 -17.581 1.00 0.00 C ATOM 418 OD1 ASN A 37 0.365 -2.662 -17.457 1.00 0.00 O ATOM 419 ND2 ASN A 37 1.553 -4.363 -18.127 1.00 0.00 N ATOM 0 H ASN A 37 0.355 -5.198 -13.850 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.977 -6.332 -15.651 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.887 -5.508 -17.935 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.547 -4.245 -16.915 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.296 -3.742 -18.447 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.651 -5.373 -18.234 1.00 0.00 H new ATOM 426 N ASP A 38 2.207 -5.542 -16.006 1.00 0.00 N ATOM 427 CA ASP A 38 3.552 -6.095 -16.275 1.00 0.00 C ATOM 428 C ASP A 38 3.953 -7.059 -15.159 1.00 0.00 C ATOM 429 O ASP A 38 4.867 -7.846 -15.297 1.00 0.00 O ATOM 430 CB ASP A 38 4.516 -4.922 -16.317 1.00 0.00 C ATOM 431 CG ASP A 38 5.941 -5.428 -16.547 1.00 0.00 C ATOM 432 OD1 ASP A 38 6.087 -6.464 -17.172 1.00 0.00 O ATOM 433 OD2 ASP A 38 6.863 -4.769 -16.094 1.00 0.00 O ATOM 0 H ASP A 38 2.199 -4.570 -15.696 1.00 0.00 H new ATOM 0 HA ASP A 38 3.565 -6.644 -17.217 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.232 -4.235 -17.114 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.465 -4.364 -15.382 1.00 0.00 H new ATOM 438 N LYS A 39 3.268 -6.999 -14.056 1.00 0.00 N ATOM 439 CA LYS A 39 3.590 -7.904 -12.918 1.00 0.00 C ATOM 440 C LYS A 39 4.974 -7.568 -12.361 1.00 0.00 C ATOM 441 O LYS A 39 5.504 -8.275 -11.527 1.00 0.00 O ATOM 442 CB LYS A 39 3.561 -9.359 -13.391 1.00 0.00 C ATOM 443 CG LYS A 39 2.462 -9.533 -14.441 1.00 0.00 C ATOM 444 CD LYS A 39 1.672 -10.811 -14.146 1.00 0.00 C ATOM 445 CE LYS A 39 1.054 -11.342 -15.442 1.00 0.00 C ATOM 446 NZ LYS A 39 1.671 -12.654 -15.787 1.00 0.00 N ATOM 0 H LYS A 39 2.492 -6.358 -13.890 1.00 0.00 H new ATOM 0 HA LYS A 39 2.847 -7.767 -12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.528 -9.635 -13.812 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.380 -10.024 -12.546 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.796 -8.670 -14.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.901 -9.586 -15.437 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.328 -11.564 -13.709 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.890 -10.607 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.024 -11.455 -15.324 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.213 -10.630 -16.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.251 -13.014 -16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.696 -12.532 -15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.498 -13.332 -15.018 1.00 0.00 H new ATOM 460 N TYR A 40 5.551 -6.485 -12.798 1.00 0.00 N ATOM 461 CA TYR A 40 6.890 -6.084 -12.265 1.00 0.00 C ATOM 462 C TYR A 40 6.786 -5.982 -10.739 1.00 0.00 C ATOM 463 O TYR A 40 5.849 -6.471 -10.143 1.00 0.00 O ATOM 464 CB TYR A 40 7.328 -4.727 -12.868 1.00 0.00 C ATOM 465 CG TYR A 40 6.324 -3.644 -12.543 1.00 0.00 C ATOM 466 CD1 TYR A 40 5.141 -3.941 -11.850 1.00 0.00 C ATOM 467 CD2 TYR A 40 6.586 -2.329 -12.940 1.00 0.00 C ATOM 468 CE1 TYR A 40 4.226 -2.931 -11.560 1.00 0.00 C ATOM 469 CE2 TYR A 40 5.669 -1.317 -12.648 1.00 0.00 C ATOM 470 CZ TYR A 40 4.489 -1.615 -11.959 1.00 0.00 C ATOM 471 OH TYR A 40 3.581 -0.614 -11.674 1.00 0.00 O ATOM 0 H TYR A 40 5.157 -5.858 -13.500 1.00 0.00 H new ATOM 0 HA TYR A 40 7.639 -6.827 -12.540 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.307 -4.450 -12.478 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.431 -4.821 -13.949 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.939 -4.956 -11.540 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.497 -2.096 -13.472 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.315 -3.163 -11.028 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.872 -0.302 -12.955 1.00 0.00 H new ATOM 0 HH TYR A 40 2.810 -0.691 -12.275 1.00 0.00 H new ATOM 481 N SER A 41 7.736 -5.376 -10.094 1.00 0.00 N ATOM 482 CA SER A 41 7.661 -5.293 -8.603 1.00 0.00 C ATOM 483 C SER A 41 7.270 -3.882 -8.140 1.00 0.00 C ATOM 484 O SER A 41 7.982 -2.925 -8.361 1.00 0.00 O ATOM 485 CB SER A 41 9.020 -5.663 -8.008 1.00 0.00 C ATOM 486 OG SER A 41 8.911 -5.739 -6.593 1.00 0.00 O ATOM 0 H SER A 41 8.553 -4.938 -10.521 1.00 0.00 H new ATOM 0 HA SER A 41 6.895 -5.988 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.357 -6.619 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.766 -4.919 -8.287 1.00 0.00 H new ATOM 0 HG SER A 41 9.781 -5.978 -6.210 1.00 0.00 H new ATOM 492 N SER A 42 6.153 -3.757 -7.463 1.00 0.00 N ATOM 493 CA SER A 42 5.734 -2.421 -6.946 1.00 0.00 C ATOM 494 C SER A 42 6.132 -2.338 -5.471 1.00 0.00 C ATOM 495 O SER A 42 5.808 -3.213 -4.694 1.00 0.00 O ATOM 496 CB SER A 42 4.212 -2.253 -7.068 1.00 0.00 C ATOM 497 OG SER A 42 3.711 -3.167 -8.035 1.00 0.00 O ATOM 0 H SER A 42 5.516 -4.524 -7.248 1.00 0.00 H new ATOM 0 HA SER A 42 6.218 -1.634 -7.525 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.737 -2.431 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.970 -1.231 -7.358 1.00 0.00 H new ATOM 0 HG SER A 42 4.028 -2.908 -8.925 1.00 0.00 H new ATOM 503 N ARG A 43 6.839 -1.314 -5.064 1.00 0.00 N ATOM 504 CA ARG A 43 7.235 -1.245 -3.634 1.00 0.00 C ATOM 505 C ARG A 43 6.976 0.156 -3.096 1.00 0.00 C ATOM 506 O ARG A 43 6.850 1.111 -3.841 1.00 0.00 O ATOM 507 CB ARG A 43 8.721 -1.581 -3.503 1.00 0.00 C ATOM 508 CG ARG A 43 9.064 -1.824 -2.031 1.00 0.00 C ATOM 509 CD ARG A 43 10.569 -2.058 -1.890 1.00 0.00 C ATOM 510 NE ARG A 43 11.203 -0.861 -1.269 1.00 0.00 N ATOM 511 CZ ARG A 43 12.502 -0.785 -1.174 1.00 0.00 C ATOM 512 NH1 ARG A 43 13.122 -1.388 -0.197 1.00 0.00 N ATOM 513 NH2 ARG A 43 13.182 -0.106 -2.059 1.00 0.00 N ATOM 0 H ARG A 43 7.152 -0.540 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 43 6.648 -1.962 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.957 -2.466 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.325 -0.764 -3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.760 -0.967 -1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.514 -2.687 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.755 -2.940 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.011 -2.251 -2.868 1.00 0.00 H new ATOM 0 HE ARG A 43 10.621 -0.100 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.591 -1.919 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.138 -1.328 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.697 0.364 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.198 -0.046 -1.985 1.00 0.00 H new ATOM 527 N VAL A 44 6.889 0.287 -1.802 1.00 0.00 N ATOM 528 CA VAL A 44 6.633 1.621 -1.218 1.00 0.00 C ATOM 529 C VAL A 44 7.659 2.610 -1.742 1.00 0.00 C ATOM 530 O VAL A 44 8.434 2.302 -2.624 1.00 0.00 O ATOM 531 CB VAL A 44 6.679 1.534 0.313 1.00 0.00 C ATOM 532 CG1 VAL A 44 8.121 1.679 0.811 1.00 0.00 C ATOM 533 CG2 VAL A 44 5.816 2.644 0.912 1.00 0.00 C ATOM 0 H VAL A 44 6.985 -0.474 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 44 5.641 1.968 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 44 6.296 0.562 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.138 1.615 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.733 0.881 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.519 2.644 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.848 2.583 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.197 3.614 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.787 2.528 0.572 1.00 0.00 H new ATOM 543 N VAL A 45 7.644 3.804 -1.236 1.00 0.00 N ATOM 544 CA VAL A 45 8.587 4.822 -1.747 1.00 0.00 C ATOM 545 C VAL A 45 8.385 6.107 -0.955 1.00 0.00 C ATOM 546 O VAL A 45 9.246 6.545 -0.219 1.00 0.00 O ATOM 547 CB VAL A 45 8.261 4.998 -3.238 1.00 0.00 C ATOM 548 CG1 VAL A 45 8.316 6.436 -3.701 1.00 0.00 C ATOM 549 CG2 VAL A 45 9.277 4.241 -4.035 1.00 0.00 C ATOM 0 H VAL A 45 7.021 4.118 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 45 9.633 4.535 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 45 7.243 4.635 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.075 6.486 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.595 7.028 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.318 6.833 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.063 4.353 -5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.272 4.632 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.237 3.185 -3.766 1.00 0.00 H new ATOM 559 N ARG A 46 7.247 6.699 -1.097 1.00 0.00 N ATOM 560 CA ARG A 46 6.959 7.955 -0.344 1.00 0.00 C ATOM 561 C ARG A 46 5.654 7.817 0.458 1.00 0.00 C ATOM 562 O ARG A 46 4.620 8.316 0.065 1.00 0.00 O ATOM 563 CB ARG A 46 6.836 9.122 -1.325 1.00 0.00 C ATOM 564 CG ARG A 46 7.872 10.190 -0.975 1.00 0.00 C ATOM 565 CD ARG A 46 9.272 9.677 -1.318 1.00 0.00 C ATOM 566 NE ARG A 46 9.960 10.660 -2.201 1.00 0.00 N ATOM 567 CZ ARG A 46 10.014 11.919 -1.856 1.00 0.00 C ATOM 568 NH1 ARG A 46 10.972 12.340 -1.076 1.00 0.00 N ATOM 569 NH2 ARG A 46 9.111 12.753 -2.291 1.00 0.00 N ATOM 0 H ARG A 46 6.493 6.374 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 46 7.778 8.142 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.989 8.771 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.832 9.545 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.664 11.107 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.813 10.435 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.849 9.526 -0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.204 8.710 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 46 10.388 10.351 -3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.678 11.686 -0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.015 13.323 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.363 12.422 -2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.153 13.736 -2.022 1.00 0.00 H new ATOM 583 N VAL A 47 5.701 7.164 1.593 1.00 0.00 N ATOM 584 CA VAL A 47 4.472 7.017 2.429 1.00 0.00 C ATOM 585 C VAL A 47 3.847 8.393 2.625 1.00 0.00 C ATOM 586 O VAL A 47 4.483 9.405 2.402 1.00 0.00 O ATOM 587 CB VAL A 47 4.860 6.391 3.763 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.908 6.844 4.868 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.803 4.867 3.642 1.00 0.00 C ATOM 0 H VAL A 47 6.539 6.726 1.976 1.00 0.00 H new ATOM 0 HA VAL A 47 3.741 6.371 1.943 1.00 0.00 H new ATOM 0 HB VAL A 47 5.871 6.710 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.202 6.386 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.950 7.929 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.891 6.541 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.080 4.416 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.791 4.561 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.497 4.537 2.869 1.00 0.00 H new ATOM 599 N ILE A 48 2.599 8.455 3.004 1.00 0.00 N ATOM 600 CA ILE A 48 1.962 9.778 3.155 1.00 0.00 C ATOM 601 C ILE A 48 0.971 9.739 4.307 1.00 0.00 C ATOM 602 O ILE A 48 0.964 10.592 5.171 1.00 0.00 O ATOM 603 CB ILE A 48 1.219 10.051 1.859 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.198 10.563 0.804 1.00 0.00 C ATOM 605 CG2 ILE A 48 0.109 11.089 2.073 1.00 0.00 C ATOM 606 CD1 ILE A 48 1.649 10.248 -0.586 1.00 0.00 C ATOM 0 H ILE A 48 2.005 7.652 3.212 1.00 0.00 H new ATOM 0 HA ILE A 48 2.702 10.552 3.361 1.00 0.00 H new ATOM 0 HB ILE A 48 0.764 9.120 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.343 11.638 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.173 10.094 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.409 11.268 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.600 10.716 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.547 12.022 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.344 10.612 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.527 9.170 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.684 10.737 -0.715 1.00 0.00 H new ATOM 618 N SER A 49 0.114 8.764 4.306 1.00 0.00 N ATOM 619 CA SER A 49 -0.903 8.692 5.392 1.00 0.00 C ATOM 620 C SER A 49 -1.208 7.246 5.774 1.00 0.00 C ATOM 621 O SER A 49 -2.006 6.578 5.146 1.00 0.00 O ATOM 622 CB SER A 49 -2.191 9.368 4.920 1.00 0.00 C ATOM 623 OG SER A 49 -3.166 9.300 5.949 1.00 0.00 O ATOM 0 H SER A 49 0.070 8.019 3.610 1.00 0.00 H new ATOM 0 HA SER A 49 -0.503 9.201 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.994 10.408 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.562 8.878 4.020 1.00 0.00 H new ATOM 0 HG SER A 49 -3.991 9.734 5.647 1.00 0.00 H new ATOM 629 N ALA A 50 -0.606 6.770 6.828 1.00 0.00 N ATOM 630 CA ALA A 50 -0.888 5.386 7.291 1.00 0.00 C ATOM 631 C ALA A 50 -1.475 5.481 8.697 1.00 0.00 C ATOM 632 O ALA A 50 -0.758 5.659 9.660 1.00 0.00 O ATOM 633 CB ALA A 50 0.404 4.571 7.340 1.00 0.00 C ATOM 0 H ALA A 50 0.072 7.284 7.390 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.581 4.896 6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.183 3.559 7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.846 4.530 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.105 5.041 8.030 1.00 0.00 H new ATOM 639 N LYS A 51 -2.768 5.395 8.831 1.00 0.00 N ATOM 640 CA LYS A 51 -3.361 5.518 10.193 1.00 0.00 C ATOM 641 C LYS A 51 -4.591 4.632 10.329 1.00 0.00 C ATOM 642 O LYS A 51 -5.142 4.150 9.360 1.00 0.00 O ATOM 643 CB LYS A 51 -3.759 6.974 10.439 1.00 0.00 C ATOM 644 CG LYS A 51 -2.707 7.901 9.826 1.00 0.00 C ATOM 645 CD LYS A 51 -3.094 9.358 10.088 1.00 0.00 C ATOM 646 CE LYS A 51 -3.408 10.048 8.761 1.00 0.00 C ATOM 647 NZ LYS A 51 -2.151 10.216 7.977 1.00 0.00 N ATOM 0 H LYS A 51 -3.432 5.247 8.071 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.620 5.200 10.926 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.736 7.174 9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.846 7.163 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.728 7.691 10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.630 7.722 8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.961 9.402 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.280 9.876 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.127 9.457 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.867 11.019 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.332 9.990 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.822 11.199 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.421 9.576 8.350 1.00 0.00 H new ATOM 661 N ARG A 52 -5.024 4.424 11.539 1.00 0.00 N ATOM 662 CA ARG A 52 -6.227 3.575 11.765 1.00 0.00 C ATOM 663 C ARG A 52 -7.221 4.315 12.669 1.00 0.00 C ATOM 664 O ARG A 52 -6.951 4.559 13.827 1.00 0.00 O ATOM 665 CB ARG A 52 -5.816 2.262 12.428 1.00 0.00 C ATOM 666 CG ARG A 52 -4.779 1.544 11.567 1.00 0.00 C ATOM 667 CD ARG A 52 -4.122 0.437 12.394 1.00 0.00 C ATOM 668 NE ARG A 52 -5.166 -0.512 12.873 1.00 0.00 N ATOM 669 CZ ARG A 52 -5.002 -1.148 14.001 1.00 0.00 C ATOM 670 NH1 ARG A 52 -3.951 -1.900 14.178 1.00 0.00 N ATOM 671 NH2 ARG A 52 -5.889 -1.031 14.951 1.00 0.00 N ATOM 0 H ARG A 52 -4.597 4.805 12.383 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.699 3.363 10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.405 2.458 13.418 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.690 1.625 12.566 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.253 1.121 10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.026 2.250 11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.384 -0.092 11.792 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.591 0.869 13.242 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.009 -0.665 12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.258 -1.991 13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.822 -2.397 15.059 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.710 -0.443 14.812 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.761 -1.528 15.832 1.00 0.00 H new ATOM 685 N GLN A 53 -8.370 4.680 12.153 1.00 0.00 N ATOM 686 CA GLN A 53 -9.375 5.403 12.990 1.00 0.00 C ATOM 687 C GLN A 53 -10.153 4.397 13.846 1.00 0.00 C ATOM 688 O GLN A 53 -10.200 3.219 13.541 1.00 0.00 O ATOM 689 CB GLN A 53 -10.348 6.158 12.082 1.00 0.00 C ATOM 690 CG GLN A 53 -10.597 7.558 12.648 1.00 0.00 C ATOM 691 CD GLN A 53 -10.393 8.600 11.545 1.00 0.00 C ATOM 692 OE1 GLN A 53 -10.629 8.327 10.385 1.00 0.00 O ATOM 693 NE2 GLN A 53 -9.962 9.790 11.862 1.00 0.00 N ATOM 0 H GLN A 53 -8.654 4.508 11.189 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.860 6.110 13.641 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.939 6.230 11.074 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.289 5.613 12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.610 7.626 13.044 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.917 7.753 13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.764 10.018 12.836 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.823 10.492 11.135 1.00 0.00 H new ATOM 702 N LEU A 54 -10.764 4.848 14.917 1.00 0.00 N ATOM 703 CA LEU A 54 -11.533 3.908 15.792 1.00 0.00 C ATOM 704 C LEU A 54 -12.992 4.367 15.923 1.00 0.00 C ATOM 705 O LEU A 54 -13.328 5.151 16.788 1.00 0.00 O ATOM 706 CB LEU A 54 -10.916 3.851 17.201 1.00 0.00 C ATOM 707 CG LEU A 54 -9.447 4.289 17.191 1.00 0.00 C ATOM 708 CD1 LEU A 54 -8.694 3.577 16.066 1.00 0.00 C ATOM 709 CD2 LEU A 54 -9.358 5.803 16.997 1.00 0.00 C ATOM 0 H LEU A 54 -10.763 5.822 15.221 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.493 2.921 15.331 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.484 4.494 17.874 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.991 2.836 17.591 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.992 4.023 18.145 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.651 3.895 16.068 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.745 2.499 16.220 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.149 3.829 15.108 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.312 6.108 16.991 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.821 6.076 16.049 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.878 6.306 17.813 1.00 0.00 H new ATOM 721 N VAL A 55 -13.865 3.864 15.092 1.00 0.00 N ATOM 722 CA VAL A 55 -15.304 4.245 15.185 1.00 0.00 C ATOM 723 C VAL A 55 -16.105 2.958 15.423 1.00 0.00 C ATOM 724 O VAL A 55 -17.025 2.652 14.696 1.00 0.00 O ATOM 725 CB VAL A 55 -15.726 4.888 13.863 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.826 3.818 12.771 1.00 0.00 C ATOM 727 CG2 VAL A 55 -17.083 5.574 14.035 1.00 0.00 C ATOM 0 H VAL A 55 -13.642 3.202 14.349 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.479 4.953 15.995 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.980 5.628 13.572 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.127 4.283 11.832 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.856 3.337 12.643 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.566 3.072 13.060 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.382 6.031 13.092 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.828 4.837 14.333 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.007 6.343 14.803 1.00 0.00 H new ATOM 737 N SER A 56 -15.699 2.173 16.402 1.00 0.00 N ATOM 738 CA SER A 56 -16.345 0.853 16.671 1.00 0.00 C ATOM 739 C SER A 56 -15.570 -0.146 15.842 1.00 0.00 C ATOM 740 O SER A 56 -15.031 -1.112 16.327 1.00 0.00 O ATOM 741 CB SER A 56 -17.819 0.822 16.252 1.00 0.00 C ATOM 742 OG SER A 56 -17.913 0.560 14.858 1.00 0.00 O ATOM 0 H SER A 56 -14.932 2.402 17.034 1.00 0.00 H new ATOM 0 HA SER A 56 -16.327 0.637 17.739 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.351 0.054 16.813 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.294 1.775 16.486 1.00 0.00 H new ATOM 0 HG SER A 56 -17.781 1.393 14.359 1.00 0.00 H new ATOM 748 N GLY A 57 -15.463 0.147 14.589 1.00 0.00 N ATOM 749 CA GLY A 57 -14.671 -0.698 13.673 1.00 0.00 C ATOM 750 C GLY A 57 -13.472 0.162 13.260 1.00 0.00 C ATOM 751 O GLY A 57 -13.583 1.375 13.219 1.00 0.00 O ATOM 0 H GLY A 57 -15.902 0.956 14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.346 -1.614 14.166 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.259 -0.995 12.805 1.00 0.00 H new ATOM 755 N ILE A 58 -12.324 -0.397 12.986 1.00 0.00 N ATOM 756 CA ILE A 58 -11.194 0.490 12.621 1.00 0.00 C ATOM 757 C ILE A 58 -11.266 0.868 11.154 1.00 0.00 C ATOM 758 O ILE A 58 -11.785 0.149 10.326 1.00 0.00 O ATOM 759 CB ILE A 58 -9.867 -0.220 12.859 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.651 -0.391 14.352 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.725 0.607 12.271 1.00 0.00 C ATOM 762 CD1 ILE A 58 -10.114 -1.784 14.731 1.00 0.00 C ATOM 0 H ILE A 58 -12.127 -1.398 12.999 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.261 1.384 13.241 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.888 -1.197 12.376 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.599 -0.257 14.604 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.210 0.362 14.908 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.778 0.095 12.444 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.880 0.731 11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.701 1.586 12.750 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.971 -1.937 15.801 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.170 -1.895 14.487 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.534 -2.523 14.178 1.00 0.00 H new ATOM 774 N LYS A 59 -10.685 1.970 10.823 1.00 0.00 N ATOM 775 CA LYS A 59 -10.626 2.382 9.406 1.00 0.00 C ATOM 776 C LYS A 59 -9.149 2.437 9.087 1.00 0.00 C ATOM 777 O LYS A 59 -8.360 2.915 9.865 1.00 0.00 O ATOM 778 CB LYS A 59 -11.270 3.755 9.195 1.00 0.00 C ATOM 779 CG LYS A 59 -12.228 4.067 10.347 1.00 0.00 C ATOM 780 CD LYS A 59 -12.740 5.502 10.211 1.00 0.00 C ATOM 781 CE LYS A 59 -13.959 5.523 9.287 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.157 6.900 8.754 1.00 0.00 N ATOM 0 H LYS A 59 -10.242 2.613 11.479 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.171 1.692 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.498 4.522 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.810 3.771 8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.065 3.369 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.718 3.941 11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.006 5.899 11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.955 6.143 9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.818 4.821 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.847 5.202 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.986 6.913 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.310 7.559 9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.313 7.190 8.220 1.00 0.00 H new ATOM 796 N TYR A 60 -8.758 1.909 7.989 1.00 0.00 N ATOM 797 CA TYR A 60 -7.305 1.888 7.669 1.00 0.00 C ATOM 798 C TYR A 60 -7.007 2.848 6.530 1.00 0.00 C ATOM 799 O TYR A 60 -7.120 2.500 5.376 1.00 0.00 O ATOM 800 CB TYR A 60 -6.908 0.479 7.258 1.00 0.00 C ATOM 801 CG TYR A 60 -6.225 -0.253 8.408 1.00 0.00 C ATOM 802 CD1 TYR A 60 -4.866 -0.032 8.666 1.00 0.00 C ATOM 803 CD2 TYR A 60 -6.935 -1.179 9.199 1.00 0.00 C ATOM 804 CE1 TYR A 60 -4.221 -0.717 9.694 1.00 0.00 C ATOM 805 CE2 TYR A 60 -6.280 -1.866 10.227 1.00 0.00 C ATOM 806 CZ TYR A 60 -4.924 -1.636 10.473 1.00 0.00 C ATOM 807 OH TYR A 60 -4.281 -2.316 11.488 1.00 0.00 O ATOM 0 H TYR A 60 -9.369 1.487 7.289 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.738 2.194 8.548 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.793 -0.075 6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.237 0.522 6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.314 0.674 8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.983 -1.358 9.012 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.174 -0.536 9.888 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.824 -2.576 10.832 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.915 -2.916 11.933 1.00 0.00 H new ATOM 817 N ILE A 61 -6.603 4.051 6.823 1.00 0.00 N ATOM 818 CA ILE A 61 -6.301 4.981 5.722 1.00 0.00 C ATOM 819 C ILE A 61 -4.843 4.800 5.341 1.00 0.00 C ATOM 820 O ILE A 61 -3.972 4.695 6.177 1.00 0.00 O ATOM 821 CB ILE A 61 -6.511 6.414 6.165 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.495 6.476 7.339 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.055 7.238 4.996 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.744 5.657 7.007 1.00 0.00 C ATOM 0 H ILE A 61 -6.473 4.419 7.765 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.960 4.772 4.879 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.554 6.823 6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.024 6.089 8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.770 7.511 7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.206 8.269 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.342 7.215 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.005 6.818 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.442 5.703 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.220 6.064 6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.462 4.620 6.826 1.00 0.00 H new ATOM 836 N LEU A 62 -4.583 4.716 4.090 1.00 0.00 N ATOM 837 CA LEU A 62 -3.230 4.492 3.616 1.00 0.00 C ATOM 838 C LEU A 62 -2.953 5.407 2.438 1.00 0.00 C ATOM 839 O LEU A 62 -3.792 5.622 1.593 1.00 0.00 O ATOM 840 CB LEU A 62 -3.234 3.085 3.106 1.00 0.00 C ATOM 841 CG LEU A 62 -1.875 2.418 3.194 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.836 3.303 2.538 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.522 2.163 4.646 1.00 0.00 C ATOM 0 H LEU A 62 -5.283 4.797 3.353 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.489 4.672 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.957 2.500 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.568 3.082 2.068 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.900 1.461 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.141 2.825 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.098 3.457 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.802 4.265 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.545 1.684 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.494 3.110 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.273 1.512 5.094 1.00 0.00 H new ATOM 855 N GLN A 63 -1.774 5.886 2.339 1.00 0.00 N ATOM 856 CA GLN A 63 -1.409 6.702 1.182 1.00 0.00 C ATOM 857 C GLN A 63 0.021 6.419 0.926 1.00 0.00 C ATOM 858 O GLN A 63 0.795 6.259 1.842 1.00 0.00 O ATOM 859 CB GLN A 63 -1.546 8.165 1.432 1.00 0.00 C ATOM 860 CG GLN A 63 -2.995 8.610 1.243 1.00 0.00 C ATOM 861 CD GLN A 63 -3.250 9.884 2.052 1.00 0.00 C ATOM 862 OE1 GLN A 63 -2.499 10.834 1.965 1.00 0.00 O ATOM 863 NE2 GLN A 63 -4.287 9.942 2.843 1.00 0.00 N ATOM 0 H GLN A 63 -1.030 5.746 3.023 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.070 6.456 0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.217 8.399 2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.899 8.718 0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.196 8.791 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.674 7.820 1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.918 9.144 2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.466 10.785 3.388 1.00 0.00 H new ATOM 872 N VAL A 64 0.378 6.387 -0.295 1.00 0.00 N ATOM 873 CA VAL A 64 1.799 6.096 -0.617 1.00 0.00 C ATOM 874 C VAL A 64 2.133 6.339 -2.081 1.00 0.00 C ATOM 875 O VAL A 64 1.519 5.796 -2.979 1.00 0.00 O ATOM 876 CB VAL A 64 2.149 4.606 -0.305 1.00 0.00 C ATOM 877 CG1 VAL A 64 2.001 4.307 1.180 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.231 3.656 -1.066 1.00 0.00 C ATOM 0 H VAL A 64 -0.235 6.546 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 64 2.382 6.776 0.004 1.00 0.00 H new ATOM 0 HB VAL A 64 3.183 4.456 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.251 3.263 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.673 4.949 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.972 4.495 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.497 2.626 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.196 3.839 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.342 3.823 -2.137 1.00 0.00 H new ATOM 888 N GLU A 65 3.172 7.082 -2.313 1.00 0.00 N ATOM 889 CA GLU A 65 3.650 7.276 -3.699 1.00 0.00 C ATOM 890 C GLU A 65 4.480 6.031 -3.980 1.00 0.00 C ATOM 891 O GLU A 65 5.689 6.026 -3.873 1.00 0.00 O ATOM 892 CB GLU A 65 4.515 8.535 -3.800 1.00 0.00 C ATOM 893 CG GLU A 65 3.678 9.758 -3.421 1.00 0.00 C ATOM 894 CD GLU A 65 4.018 10.920 -4.358 1.00 0.00 C ATOM 895 OE1 GLU A 65 5.182 11.276 -4.431 1.00 0.00 O ATOM 896 OE2 GLU A 65 3.107 11.435 -4.986 1.00 0.00 O ATOM 0 H GLU A 65 3.713 7.566 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 65 2.835 7.407 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.377 8.451 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.901 8.644 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.616 9.521 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.876 10.041 -2.387 1.00 0.00 H new ATOM 903 N ILE A 66 3.809 4.961 -4.281 1.00 0.00 N ATOM 904 CA ILE A 66 4.478 3.674 -4.514 1.00 0.00 C ATOM 905 C ILE A 66 5.267 3.748 -5.794 1.00 0.00 C ATOM 906 O ILE A 66 4.776 4.167 -6.819 1.00 0.00 O ATOM 907 CB ILE A 66 3.361 2.645 -4.633 1.00 0.00 C ATOM 908 CG1 ILE A 66 2.629 2.857 -5.961 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.376 2.854 -3.478 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.150 2.536 -5.775 1.00 0.00 C ATOM 0 H ILE A 66 2.794 4.932 -4.376 1.00 0.00 H new ATOM 0 HA ILE A 66 5.170 3.414 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 66 3.772 1.636 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.750 3.887 -6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.058 2.218 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.570 2.124 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.896 2.727 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.960 3.860 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.624 2.685 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.040 1.499 -5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.728 3.194 -5.016 1.00 0.00 H new ATOM 922 N GLY A 67 6.479 3.332 -5.756 1.00 0.00 N ATOM 923 CA GLY A 67 7.273 3.383 -6.989 1.00 0.00 C ATOM 924 C GLY A 67 7.292 1.969 -7.587 1.00 0.00 C ATOM 925 O GLY A 67 6.659 1.071 -7.058 1.00 0.00 O ATOM 0 H GLY A 67 6.955 2.961 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.839 4.092 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.287 3.723 -6.778 1.00 0.00 H new ATOM 929 N ARG A 68 7.992 1.729 -8.668 1.00 0.00 N ATOM 930 CA ARG A 68 7.983 0.358 -9.227 1.00 0.00 C ATOM 931 C ARG A 68 9.395 -0.075 -9.593 1.00 0.00 C ATOM 932 O ARG A 68 10.327 0.702 -9.567 1.00 0.00 O ATOM 933 CB ARG A 68 7.102 0.325 -10.478 1.00 0.00 C ATOM 934 CG ARG A 68 5.733 0.928 -10.158 1.00 0.00 C ATOM 935 CD ARG A 68 5.484 2.139 -11.060 1.00 0.00 C ATOM 936 NE ARG A 68 4.103 2.067 -11.617 1.00 0.00 N ATOM 937 CZ ARG A 68 3.829 2.645 -12.756 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.355 2.190 -13.860 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.030 3.675 -12.788 1.00 0.00 N ATOM 0 H ARG A 68 8.556 2.412 -9.173 1.00 0.00 H new ATOM 0 HA ARG A 68 7.587 -0.326 -8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.577 0.884 -11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.986 -0.701 -10.826 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.952 0.183 -10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.691 1.227 -9.111 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.611 3.061 -10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.214 2.159 -11.869 1.00 0.00 H new ATOM 0 HE ARG A 68 3.373 1.567 -11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.979 1.384 -13.833 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.142 2.640 -14.750 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.619 4.029 -11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.816 4.127 -13.677 1.00 0.00 H new ATOM 953 N THR A 69 9.541 -1.310 -9.966 1.00 0.00 N ATOM 954 CA THR A 69 10.839 -1.839 -10.376 1.00 0.00 C ATOM 955 C THR A 69 10.573 -2.568 -11.681 1.00 0.00 C ATOM 956 O THR A 69 10.064 -3.675 -11.695 1.00 0.00 O ATOM 957 CB THR A 69 11.392 -2.781 -9.306 1.00 0.00 C ATOM 958 OG1 THR A 69 11.108 -4.128 -9.655 1.00 0.00 O ATOM 959 CG2 THR A 69 10.782 -2.456 -7.937 1.00 0.00 C ATOM 0 H THR A 69 8.780 -1.988 -10.000 1.00 0.00 H new ATOM 0 HA THR A 69 11.587 -1.057 -10.505 1.00 0.00 H new ATOM 0 HB THR A 69 12.472 -2.645 -9.247 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.237 -4.173 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.187 -3.136 -7.188 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.026 -1.429 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.699 -2.571 -7.985 1.00 0.00 H new ATOM 967 N THR A 70 10.836 -1.906 -12.776 1.00 0.00 N ATOM 968 CA THR A 70 10.529 -2.506 -14.114 1.00 0.00 C ATOM 969 C THR A 70 11.257 -3.853 -14.269 1.00 0.00 C ATOM 970 O THR A 70 11.227 -4.673 -13.374 1.00 0.00 O ATOM 971 CB THR A 70 10.935 -1.539 -15.240 1.00 0.00 C ATOM 972 OG1 THR A 70 10.503 -2.059 -16.490 1.00 0.00 O ATOM 973 CG2 THR A 70 12.455 -1.350 -15.257 1.00 0.00 C ATOM 0 H THR A 70 11.251 -0.975 -12.805 1.00 0.00 H new ATOM 0 HA THR A 70 9.455 -2.681 -14.183 1.00 0.00 H new ATOM 0 HB THR A 70 10.464 -0.572 -15.064 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.760 -1.442 -17.207 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.727 -0.664 -16.059 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.781 -0.940 -14.301 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.939 -2.312 -15.423 1.00 0.00 H new ATOM 981 N CYS A 71 11.907 -4.111 -15.387 1.00 0.00 N ATOM 982 CA CYS A 71 12.597 -5.421 -15.537 1.00 0.00 C ATOM 983 C CYS A 71 11.672 -6.527 -15.019 1.00 0.00 C ATOM 984 O CYS A 71 11.972 -7.182 -14.041 1.00 0.00 O ATOM 985 CB CYS A 71 13.883 -5.399 -14.719 1.00 0.00 C ATOM 986 SG CYS A 71 14.677 -7.025 -14.766 1.00 0.00 S ATOM 0 H CYS A 71 11.984 -3.478 -16.183 1.00 0.00 H new ATOM 0 HA CYS A 71 12.837 -5.606 -16.584 1.00 0.00 H new ATOM 0 HB2 CYS A 71 14.561 -4.643 -15.114 1.00 0.00 H new ATOM 0 HB3 CYS A 71 13.663 -5.123 -13.688 1.00 0.00 H new ATOM 991 N PRO A 72 10.559 -6.682 -15.687 1.00 0.00 N ATOM 992 CA PRO A 72 9.516 -7.690 -15.327 1.00 0.00 C ATOM 993 C PRO A 72 9.961 -9.091 -15.730 1.00 0.00 C ATOM 994 O PRO A 72 10.354 -9.896 -14.909 1.00 0.00 O ATOM 995 CB PRO A 72 8.305 -7.241 -16.136 1.00 0.00 C ATOM 996 CG PRO A 72 8.832 -6.427 -17.310 1.00 0.00 C ATOM 997 CD PRO A 72 10.203 -5.879 -16.902 1.00 0.00 C ATOM 0 HA PRO A 72 9.314 -7.742 -14.257 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.736 -8.101 -16.488 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.632 -6.642 -15.523 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.916 -7.048 -18.202 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.149 -5.613 -17.551 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.938 -6.007 -17.696 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.158 -4.813 -16.679 1.00 0.00 H new ATOM 1005 N LYS A 73 9.905 -9.378 -16.990 1.00 0.00 N ATOM 1006 CA LYS A 73 10.323 -10.725 -17.474 1.00 0.00 C ATOM 1007 C LYS A 73 11.807 -10.940 -17.150 1.00 0.00 C ATOM 1008 O LYS A 73 12.189 -11.962 -16.616 1.00 0.00 O ATOM 1009 CB LYS A 73 10.112 -10.811 -18.986 1.00 0.00 C ATOM 1010 CG LYS A 73 9.124 -11.937 -19.299 1.00 0.00 C ATOM 1011 CD LYS A 73 9.856 -13.079 -20.008 1.00 0.00 C ATOM 1012 CE LYS A 73 9.110 -14.391 -19.764 1.00 0.00 C ATOM 1013 NZ LYS A 73 9.388 -15.334 -20.885 1.00 0.00 N ATOM 0 H LYS A 73 9.586 -8.738 -17.717 1.00 0.00 H new ATOM 0 HA LYS A 73 9.726 -11.493 -16.982 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.732 -9.863 -19.366 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.062 -10.997 -19.487 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.667 -12.300 -18.378 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.317 -11.562 -19.929 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.918 -12.877 -21.077 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.878 -13.155 -19.638 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.425 -14.831 -18.818 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.039 -14.204 -19.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.881 -16.227 -20.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.067 -14.913 -21.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.410 -15.520 -20.937 1.00 0.00 H new ATOM 1027 N SER A 74 12.647 -9.987 -17.467 1.00 0.00 N ATOM 1028 CA SER A 74 14.098 -10.149 -17.172 1.00 0.00 C ATOM 1029 C SER A 74 14.274 -10.666 -15.741 1.00 0.00 C ATOM 1030 O SER A 74 14.861 -11.707 -15.517 1.00 0.00 O ATOM 1031 CB SER A 74 14.800 -8.797 -17.315 1.00 0.00 C ATOM 1032 OG SER A 74 13.836 -7.755 -17.282 1.00 0.00 O ATOM 0 H SER A 74 12.389 -9.108 -17.916 1.00 0.00 H new ATOM 0 HA SER A 74 14.534 -10.862 -17.872 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.522 -8.664 -16.510 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.357 -8.762 -18.251 1.00 0.00 H new ATOM 0 HG SER A 74 13.685 -7.479 -16.354 1.00 0.00 H new ATOM 1038 N SER A 75 13.770 -9.951 -14.766 1.00 0.00 N ATOM 1039 CA SER A 75 13.913 -10.411 -13.356 1.00 0.00 C ATOM 1040 C SER A 75 15.350 -10.881 -13.112 1.00 0.00 C ATOM 1041 O SER A 75 15.586 -11.837 -12.400 1.00 0.00 O ATOM 1042 CB SER A 75 12.947 -11.571 -13.101 1.00 0.00 C ATOM 1043 OG SER A 75 11.621 -11.149 -13.375 1.00 0.00 O ATOM 0 H SER A 75 13.268 -9.072 -14.888 1.00 0.00 H new ATOM 0 HA SER A 75 13.683 -9.587 -12.680 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.207 -12.421 -13.732 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.028 -11.905 -12.067 1.00 0.00 H new ATOM 0 HG SER A 75 11.528 -10.965 -14.333 1.00 0.00 H new ATOM 1049 N GLY A 76 16.310 -10.216 -13.693 1.00 0.00 N ATOM 1050 CA GLY A 76 17.729 -10.627 -13.491 1.00 0.00 C ATOM 1051 C GLY A 76 18.085 -10.522 -12.006 1.00 0.00 C ATOM 1052 O GLY A 76 18.869 -11.294 -11.490 1.00 0.00 O ATOM 0 H GLY A 76 16.174 -9.406 -14.298 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.876 -11.649 -13.840 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.390 -9.991 -14.080 1.00 0.00 H new ATOM 1056 N ASP A 77 17.515 -9.574 -11.315 1.00 0.00 N ATOM 1057 CA ASP A 77 17.822 -9.421 -9.865 1.00 0.00 C ATOM 1058 C ASP A 77 19.310 -9.106 -9.690 1.00 0.00 C ATOM 1059 O ASP A 77 19.966 -8.647 -10.603 1.00 0.00 O ATOM 1060 CB ASP A 77 17.486 -10.722 -9.132 1.00 0.00 C ATOM 1061 CG ASP A 77 16.029 -11.101 -9.407 1.00 0.00 C ATOM 1062 OD1 ASP A 77 15.166 -10.271 -9.171 1.00 0.00 O ATOM 1063 OD2 ASP A 77 15.800 -12.218 -9.843 1.00 0.00 O ATOM 0 H ASP A 77 16.850 -8.899 -11.692 1.00 0.00 H new ATOM 0 HA ASP A 77 17.227 -8.607 -9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.149 -11.521 -9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.645 -10.600 -8.061 1.00 0.00 H new ATOM 1068 N LEU A 78 19.847 -9.351 -8.523 1.00 0.00 N ATOM 1069 CA LEU A 78 21.292 -9.068 -8.286 1.00 0.00 C ATOM 1070 C LEU A 78 21.621 -7.640 -8.743 1.00 0.00 C ATOM 1071 O LEU A 78 21.552 -6.705 -7.970 1.00 0.00 O ATOM 1072 CB LEU A 78 22.145 -10.063 -9.075 1.00 0.00 C ATOM 1073 CG LEU A 78 22.305 -11.353 -8.267 1.00 0.00 C ATOM 1074 CD1 LEU A 78 21.170 -12.316 -8.614 1.00 0.00 C ATOM 1075 CD2 LEU A 78 23.648 -12.003 -8.607 1.00 0.00 C ATOM 0 H LEU A 78 19.345 -9.736 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 78 21.507 -9.167 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 78 21.676 -10.279 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 78 23.123 -9.631 -9.288 1.00 0.00 H new ATOM 0 HG LEU A 78 22.272 -11.122 -7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 78 21.284 -13.235 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 78 20.213 -11.853 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.202 -12.548 -9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 78 23.763 -12.922 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 78 23.681 -12.234 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 78 24.458 -11.316 -8.360 1.00 0.00 H new ATOM 1087 N GLN A 79 21.977 -7.459 -9.994 1.00 0.00 N ATOM 1088 CA GLN A 79 22.303 -6.090 -10.482 1.00 0.00 C ATOM 1089 C GLN A 79 21.716 -5.899 -11.880 1.00 0.00 C ATOM 1090 O GLN A 79 22.391 -6.067 -12.876 1.00 0.00 O ATOM 1091 CB GLN A 79 23.823 -5.914 -10.537 1.00 0.00 C ATOM 1092 CG GLN A 79 24.305 -5.226 -9.259 1.00 0.00 C ATOM 1093 CD GLN A 79 23.919 -3.746 -9.298 1.00 0.00 C ATOM 1094 OE1 GLN A 79 24.572 -2.954 -9.945 1.00 0.00 O ATOM 1095 NE2 GLN A 79 22.877 -3.337 -8.625 1.00 0.00 N ATOM 0 H GLN A 79 22.054 -8.199 -10.691 1.00 0.00 H new ATOM 0 HA GLN A 79 21.878 -5.350 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.308 -6.884 -10.645 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.099 -5.320 -11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 79 23.862 -5.705 -8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 79 25.386 -5.328 -9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 79 22.328 -4.003 -8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.612 -2.352 -8.643 1.00 0.00 H new ATOM 1104 N SER A 80 20.461 -5.554 -11.962 1.00 0.00 N ATOM 1105 CA SER A 80 19.826 -5.357 -13.296 1.00 0.00 C ATOM 1106 C SER A 80 18.486 -4.648 -13.124 1.00 0.00 C ATOM 1107 O SER A 80 18.394 -3.441 -13.210 1.00 0.00 O ATOM 1108 CB SER A 80 19.601 -6.717 -13.960 1.00 0.00 C ATOM 1109 OG SER A 80 20.721 -7.039 -14.774 1.00 0.00 O ATOM 0 H SER A 80 19.847 -5.400 -11.162 1.00 0.00 H new ATOM 0 HA SER A 80 20.480 -4.750 -13.922 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.458 -7.485 -13.200 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.694 -6.693 -14.564 1.00 0.00 H new ATOM 0 HG SER A 80 21.546 -6.779 -14.313 1.00 0.00 H new ATOM 1115 N CYS A 81 17.452 -5.400 -12.888 1.00 0.00 N ATOM 1116 CA CYS A 81 16.101 -4.792 -12.710 1.00 0.00 C ATOM 1117 C CYS A 81 16.220 -3.518 -11.871 1.00 0.00 C ATOM 1118 O CYS A 81 16.853 -3.507 -10.834 1.00 0.00 O ATOM 1119 CB CYS A 81 15.183 -5.796 -12.004 1.00 0.00 C ATOM 1120 SG CYS A 81 15.241 -7.397 -12.857 1.00 0.00 S ATOM 0 H CYS A 81 17.481 -6.417 -12.810 1.00 0.00 H new ATOM 0 HA CYS A 81 15.681 -4.540 -13.684 1.00 0.00 H new ATOM 0 HB2 CYS A 81 15.492 -5.916 -10.966 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.160 -5.419 -11.990 1.00 0.00 H new ATOM 1125 N GLU A 82 15.630 -2.435 -12.315 1.00 0.00 N ATOM 1126 CA GLU A 82 15.740 -1.171 -11.537 1.00 0.00 C ATOM 1127 C GLU A 82 14.362 -0.534 -11.319 1.00 0.00 C ATOM 1128 O GLU A 82 13.433 -0.706 -12.100 1.00 0.00 O ATOM 1129 CB GLU A 82 16.636 -0.190 -12.294 1.00 0.00 C ATOM 1130 CG GLU A 82 17.617 0.460 -11.317 1.00 0.00 C ATOM 1131 CD GLU A 82 18.487 1.473 -12.064 1.00 0.00 C ATOM 1132 OE1 GLU A 82 18.869 1.185 -13.186 1.00 0.00 O ATOM 1133 OE2 GLU A 82 18.759 2.521 -11.500 1.00 0.00 O ATOM 0 H GLU A 82 15.083 -2.375 -13.174 1.00 0.00 H new ATOM 0 HA GLU A 82 16.170 -1.402 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.181 -0.711 -13.081 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.029 0.574 -12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.072 0.956 -10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.244 -0.302 -10.854 1.00 0.00 H new ATOM 1140 N PHE A 83 14.234 0.195 -10.239 1.00 0.00 N ATOM 1141 CA PHE A 83 12.950 0.863 -9.914 1.00 0.00 C ATOM 1142 C PHE A 83 12.278 1.372 -11.199 1.00 0.00 C ATOM 1143 O PHE A 83 11.547 0.644 -11.820 1.00 0.00 O ATOM 1144 CB PHE A 83 13.197 1.991 -8.938 1.00 0.00 C ATOM 1145 CG PHE A 83 12.160 1.902 -7.854 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.898 0.674 -7.228 1.00 0.00 C ATOM 1147 CD2 PHE A 83 11.465 3.042 -7.476 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.932 0.595 -6.216 1.00 0.00 C ATOM 1149 CE2 PHE A 83 10.499 2.971 -6.471 1.00 0.00 C ATOM 1150 CZ PHE A 83 10.227 1.753 -5.835 1.00 0.00 C ATOM 0 H PHE A 83 14.980 0.354 -9.562 1.00 0.00 H new ATOM 0 HA PHE A 83 12.274 0.147 -9.446 1.00 0.00 H new ATOM 0 HB2 PHE A 83 14.199 1.916 -8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.137 2.954 -9.445 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.441 -0.211 -7.526 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.672 3.985 -7.960 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.729 -0.348 -5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.958 3.860 -6.182 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.480 1.702 -5.056 1.00 0.00 H new ATOM 1160 N HIS A 84 12.487 2.595 -11.636 1.00 0.00 N ATOM 1161 CA HIS A 84 11.805 3.007 -12.901 1.00 0.00 C ATOM 1162 C HIS A 84 12.829 3.161 -14.031 1.00 0.00 C ATOM 1163 O HIS A 84 13.846 3.806 -13.875 1.00 0.00 O ATOM 1164 CB HIS A 84 11.084 4.333 -12.699 1.00 0.00 C ATOM 1165 CG HIS A 84 9.754 4.093 -12.040 1.00 0.00 C ATOM 1166 ND1 HIS A 84 8.848 5.117 -11.816 1.00 0.00 N ATOM 1167 CD2 HIS A 84 9.161 2.954 -11.558 1.00 0.00 C ATOM 1168 CE1 HIS A 84 7.767 4.579 -11.225 1.00 0.00 C ATOM 1169 NE2 HIS A 84 7.905 3.262 -11.044 1.00 0.00 N ATOM 0 H HIS A 84 13.076 3.298 -11.190 1.00 0.00 H new ATOM 0 HA HIS A 84 11.083 2.235 -13.169 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.691 4.997 -12.084 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.941 4.830 -13.659 1.00 0.00 H new ATOM 0 HD1 HIS A 84 8.978 6.100 -12.056 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.602 1.968 -11.575 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.893 5.142 -10.932 1.00 0.00 H new ATOM 1177 N ASP A 85 12.559 2.582 -15.177 1.00 0.00 N ATOM 1178 CA ASP A 85 13.505 2.713 -16.323 1.00 0.00 C ATOM 1179 C ASP A 85 13.500 4.166 -16.791 1.00 0.00 C ATOM 1180 O ASP A 85 14.420 4.635 -17.432 1.00 0.00 O ATOM 1181 CB ASP A 85 13.064 1.798 -17.467 1.00 0.00 C ATOM 1182 CG ASP A 85 14.278 1.442 -18.328 1.00 0.00 C ATOM 1183 OD1 ASP A 85 15.383 1.513 -17.817 1.00 0.00 O ATOM 1184 OD2 ASP A 85 14.082 1.106 -19.484 1.00 0.00 O ATOM 0 H ASP A 85 11.725 2.026 -15.365 1.00 0.00 H new ATOM 0 HA ASP A 85 14.509 2.425 -16.013 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.609 0.892 -17.068 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.307 2.295 -18.074 1.00 0.00 H new ATOM 1189 N GLU A 86 12.475 4.886 -16.438 1.00 0.00 N ATOM 1190 CA GLU A 86 12.384 6.324 -16.809 1.00 0.00 C ATOM 1191 C GLU A 86 11.985 7.095 -15.551 1.00 0.00 C ATOM 1192 O GLU A 86 10.885 7.599 -15.452 1.00 0.00 O ATOM 1193 CB GLU A 86 11.322 6.521 -17.894 1.00 0.00 C ATOM 1194 CG GLU A 86 10.952 8.005 -17.984 1.00 0.00 C ATOM 1195 CD GLU A 86 10.884 8.428 -19.452 1.00 0.00 C ATOM 1196 OE1 GLU A 86 10.686 7.563 -20.289 1.00 0.00 O ATOM 1197 OE2 GLU A 86 11.030 9.612 -19.714 1.00 0.00 O ATOM 0 H GLU A 86 11.684 4.534 -15.900 1.00 0.00 H new ATOM 0 HA GLU A 86 13.338 6.680 -17.197 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.699 6.170 -18.855 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.437 5.928 -17.663 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.992 8.181 -17.499 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.691 8.607 -17.455 1.00 0.00 H new ATOM 1204 N PRO A 87 12.894 7.132 -14.617 1.00 0.00 N ATOM 1205 CA PRO A 87 12.692 7.801 -13.305 1.00 0.00 C ATOM 1206 C PRO A 87 12.974 9.297 -13.393 1.00 0.00 C ATOM 1207 O PRO A 87 12.085 10.115 -13.259 1.00 0.00 O ATOM 1208 CB PRO A 87 13.729 7.125 -12.416 1.00 0.00 C ATOM 1209 CG PRO A 87 14.827 6.594 -13.329 1.00 0.00 C ATOM 1210 CD PRO A 87 14.253 6.515 -14.744 1.00 0.00 C ATOM 0 HA PRO A 87 11.669 7.712 -12.940 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.137 7.833 -11.694 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.277 6.314 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.696 7.251 -13.305 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.160 5.611 -12.996 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.873 7.058 -15.457 1.00 0.00 H new ATOM 0 HD3 PRO A 87 14.193 5.484 -15.094 1.00 0.00 H new ATOM 1218 N GLU A 88 14.214 9.668 -13.542 1.00 0.00 N ATOM 1219 CA GLU A 88 14.541 11.123 -13.545 1.00 0.00 C ATOM 1220 C GLU A 88 13.975 11.660 -12.239 1.00 0.00 C ATOM 1221 O GLU A 88 13.150 12.545 -12.235 1.00 0.00 O ATOM 1222 CB GLU A 88 13.857 11.820 -14.721 1.00 0.00 C ATOM 1223 CG GLU A 88 14.639 13.082 -15.094 1.00 0.00 C ATOM 1224 CD GLU A 88 15.449 12.826 -16.366 1.00 0.00 C ATOM 1225 OE1 GLU A 88 14.888 12.976 -17.439 1.00 0.00 O ATOM 1226 OE2 GLU A 88 16.614 12.484 -16.246 1.00 0.00 O ATOM 0 H GLU A 88 15.007 9.038 -13.660 1.00 0.00 H new ATOM 0 HA GLU A 88 15.613 11.295 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.805 11.146 -15.576 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.832 12.080 -14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.953 13.915 -15.249 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.304 13.365 -14.278 1.00 0.00 H new ATOM 1233 N LEU A 89 14.380 11.033 -11.153 1.00 0.00 N ATOM 1234 CA LEU A 89 13.865 11.335 -9.774 1.00 0.00 C ATOM 1235 C LEU A 89 12.953 10.148 -9.409 1.00 0.00 C ATOM 1236 O LEU A 89 12.675 9.870 -8.260 1.00 0.00 O ATOM 1237 CB LEU A 89 13.120 12.691 -9.695 1.00 0.00 C ATOM 1238 CG LEU A 89 11.587 12.521 -9.680 1.00 0.00 C ATOM 1239 CD1 LEU A 89 10.944 13.901 -9.563 1.00 0.00 C ATOM 1240 CD2 LEU A 89 11.083 11.858 -10.965 1.00 0.00 C ATOM 0 H LEU A 89 15.079 10.290 -11.171 1.00 0.00 H new ATOM 0 HA LEU A 89 14.686 11.443 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.433 13.222 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.406 13.309 -10.546 1.00 0.00 H new ATOM 0 HG LEU A 89 11.321 11.886 -8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.859 13.797 -9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.273 14.379 -8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.240 14.514 -10.414 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.999 11.754 -10.920 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.353 12.474 -11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.538 10.873 -11.069 1.00 0.00 H new ATOM 1252 N ALA A 90 12.519 9.446 -10.427 1.00 0.00 N ATOM 1253 CA ALA A 90 11.656 8.254 -10.291 1.00 0.00 C ATOM 1254 C ALA A 90 10.269 8.663 -9.835 1.00 0.00 C ATOM 1255 O ALA A 90 9.901 8.465 -8.705 1.00 0.00 O ATOM 1256 CB ALA A 90 12.278 7.228 -9.328 1.00 0.00 C ATOM 0 H ALA A 90 12.747 9.674 -11.395 1.00 0.00 H new ATOM 0 HA ALA A 90 11.570 7.775 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.622 6.361 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.249 6.913 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.404 7.681 -8.345 1.00 0.00 H new ATOM 1262 N LYS A 91 9.460 9.210 -10.709 1.00 0.00 N ATOM 1263 CA LYS A 91 8.111 9.566 -10.266 1.00 0.00 C ATOM 1264 C LYS A 91 7.519 8.313 -9.702 1.00 0.00 C ATOM 1265 O LYS A 91 8.119 7.264 -9.719 1.00 0.00 O ATOM 1266 CB LYS A 91 7.210 10.045 -11.395 1.00 0.00 C ATOM 1267 CG LYS A 91 8.040 10.695 -12.507 1.00 0.00 C ATOM 1268 CD LYS A 91 8.256 9.690 -13.638 1.00 0.00 C ATOM 1269 CE LYS A 91 8.459 10.440 -14.955 1.00 0.00 C ATOM 1270 NZ LYS A 91 9.914 10.514 -15.266 1.00 0.00 N ATOM 0 H LYS A 91 9.683 9.415 -11.683 1.00 0.00 H new ATOM 0 HA LYS A 91 8.182 10.386 -9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.646 9.205 -11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.484 10.761 -11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.529 11.580 -12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.001 11.026 -12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.125 9.067 -13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.397 9.023 -13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.930 9.931 -15.761 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.040 11.444 -14.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.088 11.295 -15.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.448 10.680 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.223 9.619 -15.695 1.00 0.00 H new ATOM 1284 N TYR A 92 6.371 8.430 -9.188 1.00 0.00 N ATOM 1285 CA TYR A 92 5.720 7.288 -8.558 1.00 0.00 C ATOM 1286 C TYR A 92 4.197 7.423 -8.693 1.00 0.00 C ATOM 1287 O TYR A 92 3.690 8.324 -9.335 1.00 0.00 O ATOM 1288 CB TYR A 92 6.164 7.344 -7.106 1.00 0.00 C ATOM 1289 CG TYR A 92 7.685 7.221 -7.012 1.00 0.00 C ATOM 1290 CD1 TYR A 92 8.355 6.123 -7.586 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.430 8.190 -6.321 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.744 5.999 -7.466 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.823 8.065 -6.209 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.478 6.968 -6.777 1.00 0.00 C ATOM 1295 OH TYR A 92 11.847 6.843 -6.661 1.00 0.00 O ATOM 0 H TYR A 92 5.830 9.295 -9.173 1.00 0.00 H new ATOM 0 HA TYR A 92 5.986 6.335 -9.015 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.839 8.282 -6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.692 6.539 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.793 5.372 -8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.928 9.035 -5.874 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.250 5.153 -7.907 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.391 8.818 -5.683 1.00 0.00 H new ATOM 0 HH TYR A 92 12.203 7.602 -6.153 1.00 0.00 H new ATOM 1305 N THR A 93 3.480 6.515 -8.110 1.00 0.00 N ATOM 1306 CA THR A 93 1.993 6.527 -8.194 1.00 0.00 C ATOM 1307 C THR A 93 1.401 6.766 -6.804 1.00 0.00 C ATOM 1308 O THR A 93 1.691 6.048 -5.862 1.00 0.00 O ATOM 1309 CB THR A 93 1.525 5.179 -8.727 1.00 0.00 C ATOM 1310 OG1 THR A 93 2.174 4.910 -9.962 1.00 0.00 O ATOM 1311 CG2 THR A 93 0.007 5.172 -8.935 1.00 0.00 C ATOM 0 H THR A 93 3.867 5.745 -7.565 1.00 0.00 H new ATOM 0 HA THR A 93 1.664 7.325 -8.860 1.00 0.00 H new ATOM 0 HB THR A 93 1.777 4.409 -7.998 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.232 3.941 -10.097 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.304 4.199 -9.316 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.491 5.366 -7.985 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.266 5.946 -9.652 1.00 0.00 H new ATOM 1319 N THR A 94 0.576 7.767 -6.667 1.00 0.00 N ATOM 1320 CA THR A 94 -0.035 8.050 -5.339 1.00 0.00 C ATOM 1321 C THR A 94 -1.298 7.222 -5.184 1.00 0.00 C ATOM 1322 O THR A 94 -2.309 7.482 -5.808 1.00 0.00 O ATOM 1323 CB THR A 94 -0.372 9.539 -5.228 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.832 10.293 -5.209 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.155 9.792 -3.939 1.00 0.00 C ATOM 0 H THR A 94 0.299 8.401 -7.417 1.00 0.00 H new ATOM 0 HA THR A 94 0.671 7.789 -4.550 1.00 0.00 H new ATOM 0 HB THR A 94 -0.978 9.841 -6.083 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.619 11.247 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.394 10.853 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.078 9.212 -3.954 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.552 9.492 -3.082 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.244 6.211 -4.368 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.437 5.352 -4.188 1.00 0.00 C ATOM 1335 C CYS A 95 -2.944 5.454 -2.746 1.00 0.00 C ATOM 1336 O CYS A 95 -2.197 5.762 -1.830 1.00 0.00 O ATOM 1337 CB CYS A 95 -2.036 3.925 -4.512 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.471 3.023 -5.143 1.00 0.00 S ATOM 0 H CYS A 95 -0.426 5.944 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.242 5.672 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.236 3.920 -5.252 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.648 3.434 -3.620 1.00 0.00 H new ATOM 1343 N THR A 96 -4.218 5.208 -2.545 1.00 0.00 N ATOM 1344 CA THR A 96 -4.798 5.296 -1.172 1.00 0.00 C ATOM 1345 C THR A 96 -5.522 3.991 -0.826 1.00 0.00 C ATOM 1346 O THR A 96 -6.297 3.471 -1.610 1.00 0.00 O ATOM 1347 CB THR A 96 -5.800 6.450 -1.115 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.262 7.580 -1.787 1.00 0.00 O ATOM 1349 CG2 THR A 96 -6.090 6.808 0.343 1.00 0.00 C ATOM 0 H THR A 96 -4.880 4.950 -3.277 1.00 0.00 H new ATOM 0 HA THR A 96 -3.993 5.466 -0.457 1.00 0.00 H new ATOM 0 HB THR A 96 -6.727 6.148 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.905 8.319 -1.752 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.804 7.631 0.381 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.508 5.941 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.165 7.108 0.835 1.00 0.00 H new ATOM 1357 N PHE A 97 -5.276 3.456 0.345 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.940 2.193 0.759 1.00 0.00 C ATOM 1359 C PHE A 97 -6.860 2.467 1.945 1.00 0.00 C ATOM 1360 O PHE A 97 -6.470 3.096 2.908 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.893 1.170 1.197 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.746 1.100 0.192 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.919 1.547 -1.128 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.504 0.572 0.577 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.867 1.464 -2.039 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.457 0.495 -0.337 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.632 0.940 -1.649 1.00 0.00 C ATOM 0 H PHE A 97 -4.636 3.849 1.035 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.509 1.806 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.505 1.439 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.357 0.188 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.869 1.956 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.360 0.223 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.008 1.807 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.504 0.089 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.819 0.880 -2.357 1.00 0.00 H new ATOM 1377 N VAL A 98 -8.068 1.983 1.899 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.988 2.205 3.048 1.00 0.00 C ATOM 1379 C VAL A 98 -9.488 0.834 3.514 1.00 0.00 C ATOM 1380 O VAL A 98 -10.223 0.167 2.814 1.00 0.00 O ATOM 1381 CB VAL A 98 -10.151 3.089 2.598 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -11.329 2.933 3.563 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.697 4.551 2.582 1.00 0.00 C ATOM 0 H VAL A 98 -8.456 1.447 1.123 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.481 2.708 3.871 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.466 2.789 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.154 3.566 3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.653 1.892 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -11.020 3.229 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.524 5.185 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.381 4.845 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.863 4.665 1.890 1.00 0.00 H new ATOM 1393 N VAL A 99 -9.062 0.381 4.666 1.00 0.00 N ATOM 1394 CA VAL A 99 -9.489 -0.974 5.121 1.00 0.00 C ATOM 1395 C VAL A 99 -10.211 -0.928 6.469 1.00 0.00 C ATOM 1396 O VAL A 99 -9.720 -0.403 7.438 1.00 0.00 O ATOM 1397 CB VAL A 99 -8.244 -1.878 5.235 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -8.387 -2.848 6.415 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -8.106 -2.661 3.941 1.00 0.00 C ATOM 0 H VAL A 99 -8.445 0.884 5.303 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.190 -1.372 4.387 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.360 -1.264 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.499 -3.477 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.498 -2.282 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.266 -3.475 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.231 -3.308 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.997 -3.269 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.991 -1.968 3.107 1.00 0.00 H new ATOM 1409 N TYR A 100 -11.339 -1.558 6.565 1.00 0.00 N ATOM 1410 CA TYR A 100 -12.013 -1.596 7.877 1.00 0.00 C ATOM 1411 C TYR A 100 -11.417 -2.788 8.634 1.00 0.00 C ATOM 1412 O TYR A 100 -11.201 -3.837 8.060 1.00 0.00 O ATOM 1413 CB TYR A 100 -13.514 -1.758 7.693 1.00 0.00 C ATOM 1414 CG TYR A 100 -14.224 -0.861 8.676 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -14.016 0.520 8.619 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -15.078 -1.403 9.641 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.659 1.365 9.525 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.725 -0.558 10.550 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.517 0.827 10.492 1.00 0.00 C ATOM 1420 OH TYR A 100 -16.154 1.659 11.391 1.00 0.00 O ATOM 0 H TYR A 100 -11.816 -2.041 5.804 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.861 -0.671 8.433 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.799 -1.500 6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.804 -2.797 7.852 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.356 0.935 7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -15.238 -2.470 9.685 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.495 2.432 9.480 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.385 -0.974 11.297 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.713 1.124 11.992 1.00 0.00 H new ATOM 1430 N SER A 101 -11.088 -2.637 9.887 1.00 0.00 N ATOM 1431 CA SER A 101 -10.447 -3.758 10.606 1.00 0.00 C ATOM 1432 C SER A 101 -11.177 -4.005 11.942 1.00 0.00 C ATOM 1433 O SER A 101 -11.054 -3.241 12.875 1.00 0.00 O ATOM 1434 CB SER A 101 -8.975 -3.351 10.823 1.00 0.00 C ATOM 1435 OG SER A 101 -8.877 -1.937 10.819 1.00 0.00 O ATOM 0 H SER A 101 -11.236 -1.790 10.436 1.00 0.00 H new ATOM 0 HA SER A 101 -10.498 -4.690 10.043 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.611 -3.750 11.770 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.349 -3.773 10.037 1.00 0.00 H new ATOM 0 HG SER A 101 -7.977 -1.672 10.535 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.952 -5.068 12.024 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.697 -5.377 13.286 1.00 0.00 C ATOM 1443 C ILE A 102 -11.924 -6.469 14.051 1.00 0.00 C ATOM 1444 O ILE A 102 -11.997 -7.626 13.700 1.00 0.00 O ATOM 1445 CB ILE A 102 -14.096 -5.896 12.924 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.557 -5.242 11.614 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -15.079 -5.544 14.043 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -16.065 -5.437 11.439 1.00 0.00 C ATOM 0 H ILE A 102 -12.098 -5.735 11.266 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.790 -4.484 13.904 1.00 0.00 H new ATOM 0 HB ILE A 102 -14.062 -6.978 12.800 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.317 -4.179 11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -14.024 -5.681 10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -16.072 -5.913 13.785 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.751 -6.006 14.974 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.115 -4.462 14.168 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.387 -4.971 10.508 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -16.293 -6.502 11.409 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.591 -4.977 12.276 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.183 -6.073 15.059 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.345 -7.009 15.884 1.00 0.00 C ATOM 1462 C PRO A 103 -11.179 -8.030 16.673 1.00 0.00 C ATOM 1463 O PRO A 103 -10.914 -9.214 16.622 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.583 -6.070 16.814 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.392 -4.786 16.879 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.087 -4.652 15.526 1.00 0.00 C ATOM 0 HA PRO A 103 -9.696 -7.628 15.264 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.472 -6.510 17.805 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.579 -5.878 16.436 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.121 -4.825 17.689 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.747 -3.929 17.072 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.070 -4.190 15.620 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.511 -4.037 14.835 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.161 -7.606 17.421 1.00 0.00 N ATOM 1475 CA TRP A 104 -12.953 -8.601 18.209 1.00 0.00 C ATOM 1476 C TRP A 104 -13.581 -9.661 17.290 1.00 0.00 C ATOM 1477 O TRP A 104 -14.124 -10.641 17.759 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.061 -7.892 19.002 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.113 -7.343 18.083 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.129 -8.055 17.527 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.288 -5.971 17.630 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.897 -7.207 16.752 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.420 -5.913 16.783 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.575 -4.784 17.864 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.831 -4.718 16.190 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -14.985 -3.580 17.271 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.111 -3.547 16.437 1.00 0.00 C ATOM 0 H TRP A 104 -12.448 -6.632 17.522 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.271 -9.097 18.900 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.515 -8.591 19.704 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -13.630 -7.083 19.592 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.307 -9.111 17.668 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.717 -7.502 16.222 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.706 -4.798 18.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.698 -4.699 15.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.429 -2.673 17.458 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.422 -2.616 15.986 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.554 -9.467 15.997 1.00 0.00 N ATOM 1499 CA LEU A 105 -14.187 -10.431 15.084 1.00 0.00 C ATOM 1500 C LEU A 105 -13.239 -10.770 13.928 1.00 0.00 C ATOM 1501 O LEU A 105 -13.655 -11.317 12.926 1.00 0.00 O ATOM 1502 CB LEU A 105 -15.394 -9.713 14.554 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.696 -10.480 14.795 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.921 -11.478 13.657 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.656 -11.223 16.133 1.00 0.00 C ATOM 0 H LEU A 105 -13.112 -8.669 15.541 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.438 -11.367 15.583 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.463 -8.732 15.025 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.270 -9.545 13.484 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.517 -9.764 14.826 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -17.849 -12.024 13.830 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.986 -10.942 12.710 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -16.088 -12.181 13.619 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.593 -11.760 16.279 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.828 -11.932 16.131 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.518 -10.507 16.943 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.972 -10.462 14.068 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.987 -10.767 12.998 1.00 0.00 C ATOM 1519 C ASN A 106 -11.634 -10.626 11.623 1.00 0.00 C ATOM 1520 O ASN A 106 -11.660 -11.547 10.832 1.00 0.00 O ATOM 1521 CB ASN A 106 -10.484 -12.181 13.210 1.00 0.00 C ATOM 1522 CG ASN A 106 -9.150 -12.371 12.486 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -8.702 -11.495 11.772 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -8.489 -13.485 12.643 1.00 0.00 N ATOM 0 H ASN A 106 -11.579 -10.006 14.892 1.00 0.00 H new ATOM 0 HA ASN A 106 -10.154 -10.066 13.043 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.361 -12.377 14.275 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.216 -12.897 12.836 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.597 -13.620 12.167 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.864 -14.221 13.242 1.00 0.00 H new ATOM 1531 N GLN A 107 -12.159 -9.469 11.341 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.814 -9.240 10.026 1.00 0.00 C ATOM 1533 C GLN A 107 -12.163 -8.040 9.335 1.00 0.00 C ATOM 1534 O GLN A 107 -12.516 -6.902 9.577 1.00 0.00 O ATOM 1535 CB GLN A 107 -14.303 -8.963 10.238 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.954 -8.632 8.893 1.00 0.00 C ATOM 1537 CD GLN A 107 -16.113 -9.598 8.635 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -17.230 -9.348 9.043 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.892 -10.700 7.971 1.00 0.00 N ATOM 0 H GLN A 107 -12.162 -8.666 11.970 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.696 -10.126 9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.786 -9.832 10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.435 -8.133 10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.317 -7.604 8.896 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.218 -8.708 8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.954 -10.910 7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.657 -11.351 7.795 1.00 0.00 H new ATOM 1548 N ILE A 108 -11.221 -8.293 8.473 1.00 0.00 N ATOM 1549 CA ILE A 108 -10.543 -7.185 7.747 1.00 0.00 C ATOM 1550 C ILE A 108 -11.160 -7.096 6.344 1.00 0.00 C ATOM 1551 O ILE A 108 -11.428 -8.101 5.719 1.00 0.00 O ATOM 1552 CB ILE A 108 -9.033 -7.497 7.694 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -8.247 -6.307 8.263 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -8.577 -7.802 6.258 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.837 -6.250 7.678 1.00 0.00 C ATOM 0 H ILE A 108 -10.888 -9.228 8.238 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.674 -6.224 8.245 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.839 -8.384 8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.774 -5.379 8.041 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.191 -6.390 9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.509 -8.018 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.123 -8.666 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.775 -6.939 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.303 -5.398 8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.304 -7.169 7.923 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.897 -6.143 6.595 1.00 0.00 H new ATOM 1567 N LYS A 109 -11.409 -5.915 5.847 1.00 0.00 N ATOM 1568 CA LYS A 109 -12.030 -5.818 4.494 1.00 0.00 C ATOM 1569 C LYS A 109 -11.481 -4.613 3.726 1.00 0.00 C ATOM 1570 O LYS A 109 -11.369 -3.519 4.250 1.00 0.00 O ATOM 1571 CB LYS A 109 -13.543 -5.675 4.647 1.00 0.00 C ATOM 1572 CG LYS A 109 -14.210 -5.819 3.275 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.902 -7.179 3.185 1.00 0.00 C ATOM 1574 CE LYS A 109 -16.301 -7.004 2.589 1.00 0.00 C ATOM 1575 NZ LYS A 109 -17.261 -6.652 3.673 1.00 0.00 N ATOM 0 H LYS A 109 -11.214 -5.027 6.309 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.791 -6.722 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.924 -6.434 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.785 -4.705 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.935 -5.019 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.465 -5.725 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.314 -7.857 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.971 -7.630 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.290 -6.222 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.615 -7.923 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.212 -6.533 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.279 -7.413 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.963 -5.764 4.126 1.00 0.00 H new ATOM 1589 N LEU A 110 -11.163 -4.813 2.472 1.00 0.00 N ATOM 1590 CA LEU A 110 -10.646 -3.698 1.631 1.00 0.00 C ATOM 1591 C LEU A 110 -11.803 -2.778 1.264 1.00 0.00 C ATOM 1592 O LEU A 110 -12.955 -3.160 1.332 1.00 0.00 O ATOM 1593 CB LEU A 110 -10.020 -4.266 0.362 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.693 -3.556 0.099 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.807 -3.646 1.343 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.989 -4.225 -1.071 1.00 0.00 C ATOM 0 H LEU A 110 -11.241 -5.710 1.993 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.891 -3.137 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.858 -5.338 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.694 -4.129 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.882 -2.508 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.861 -3.139 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.311 -3.170 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.617 -4.693 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.041 -3.721 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.802 -5.272 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.619 -4.162 -1.959 1.00 0.00 H new ATOM 1608 N LEU A 111 -11.517 -1.569 0.877 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.620 -0.638 0.513 1.00 0.00 C ATOM 1610 C LEU A 111 -12.117 0.371 -0.509 1.00 0.00 C ATOM 1611 O LEU A 111 -12.225 0.177 -1.704 1.00 0.00 O ATOM 1612 CB LEU A 111 -13.103 0.103 1.765 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.987 -0.823 2.604 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.171 -1.396 3.763 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -15.172 -0.027 3.158 1.00 0.00 C ATOM 0 H LEU A 111 -10.575 -1.186 0.797 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.446 -1.207 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.249 0.438 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -13.662 0.994 1.479 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.354 -1.639 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.801 -2.055 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.326 -1.960 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.804 -0.581 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.804 -0.684 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.803 0.788 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.754 0.382 2.332 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.567 1.445 -0.040 1.00 0.00 N ATOM 1628 CA GLU A 112 -11.047 2.485 -0.973 1.00 0.00 C ATOM 1629 C GLU A 112 -9.591 2.179 -1.315 1.00 0.00 C ATOM 1630 O GLU A 112 -8.694 2.945 -1.023 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.148 3.867 -0.323 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.809 4.844 -1.298 1.00 0.00 C ATOM 1633 CD GLU A 112 -11.968 6.208 -0.624 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -11.033 6.635 0.033 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -13.024 6.802 -0.775 1.00 0.00 O ATOM 0 H GLU A 112 -11.452 1.654 0.952 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.642 2.480 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.729 3.806 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.155 4.225 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.204 4.940 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.783 4.463 -1.607 1.00 0.00 H new ATOM 1642 N SER A 113 -9.360 1.064 -1.944 1.00 0.00 N ATOM 1643 CA SER A 113 -7.971 0.689 -2.332 1.00 0.00 C ATOM 1644 C SER A 113 -7.800 0.957 -3.824 1.00 0.00 C ATOM 1645 O SER A 113 -8.062 0.107 -4.652 1.00 0.00 O ATOM 1646 CB SER A 113 -7.743 -0.797 -2.049 1.00 0.00 C ATOM 1647 OG SER A 113 -8.851 -1.545 -2.528 1.00 0.00 O ATOM 0 H SER A 113 -10.078 0.390 -2.209 1.00 0.00 H new ATOM 0 HA SER A 113 -7.250 1.273 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.826 -1.134 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.616 -0.959 -0.979 1.00 0.00 H new ATOM 0 HG SER A 113 -9.043 -1.289 -3.454 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.376 2.138 -4.179 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.207 2.453 -5.623 1.00 0.00 C ATOM 1655 C LYS A 114 -6.301 3.670 -5.777 1.00 0.00 C ATOM 1656 O LYS A 114 -6.093 4.424 -4.849 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.575 2.749 -6.244 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.998 1.574 -7.129 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.010 2.016 -8.593 1.00 0.00 C ATOM 1660 CE LYS A 114 -8.642 0.833 -9.488 1.00 0.00 C ATOM 1661 NZ LYS A 114 -9.452 0.883 -10.737 1.00 0.00 N ATOM 0 H LYS A 114 -7.141 2.894 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.756 1.601 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.315 2.913 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.528 3.664 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.310 0.739 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.987 1.222 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.996 2.395 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.303 2.832 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.580 0.863 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.823 -0.104 -8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.201 0.078 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.463 0.834 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.258 1.772 -11.241 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.750 3.863 -6.941 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.845 5.025 -7.151 1.00 0.00 C ATOM 1677 C CYS A 115 -5.510 6.029 -8.095 1.00 0.00 C ATOM 1678 O CYS A 115 -6.252 5.663 -8.985 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.531 4.541 -7.769 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.121 2.894 -7.129 1.00 0.00 S ATOM 0 H CYS A 115 -5.887 3.266 -7.757 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.644 5.505 -6.193 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.620 4.508 -8.855 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.729 5.242 -7.536 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.250 7.294 -7.905 1.00 0.00 N ATOM 1686 CA GLN A 116 -5.867 8.322 -8.792 1.00 0.00 C ATOM 1687 C GLN A 116 -4.981 9.570 -8.818 1.00 0.00 C ATOM 1688 CB GLN A 116 -7.252 8.691 -8.257 1.00 0.00 C ATOM 1689 CG GLN A 116 -7.887 9.744 -9.168 1.00 0.00 C ATOM 1690 CD GLN A 116 -9.303 10.055 -8.680 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -10.191 10.302 -9.472 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -9.553 10.053 -7.399 1.00 0.00 N ATOM 0 H GLN A 116 -4.638 7.660 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 116 -5.962 7.922 -9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.884 7.804 -8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.170 9.076 -7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.283 10.652 -9.168 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.917 9.381 -10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.808 9.846 -6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.494 10.259 -7.063 1.00 0.00 H new TER 1701 GLN A 116