USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 824 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 116 ASN :FLIP amide:sc= -3.56! C(o=-11!,f=-7.3!) USER MOD Set 1.2: A 119 HIS :FLIP no HD1:sc= -3.7! C(o=-7.7!,f=-7.3!) USER MOD Set 2.1: A 71 CYS SG : rot -171:sc= 0.933 USER MOD Set 2.2: A 102 CYS SG : rot 130:sc= -4.28! USER MOD Set 3.1: A 63 CYS SG : rot -109:sc= 0.717! USER MOD Set 3.2: A 68 CYS SG : rot 180:sc= -0.267 USER MOD Set 4.1: A 5 TYR OH : rot 56:sc= 0.853! USER MOD Set 4.2: A 57 TYR OH : rot -78:sc= 0.981 USER MOD Set 5.1: A 7 ASN : amide:sc= 0.111 K(o=-0.87,f=-13!) USER MOD Set 5.2: A 10 THR OG1 : rot 177:sc= -0.982! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -107:sc= 0.211 USER MOD Single : A 14 GLN : amide:sc= -2.59 K(o=-2.6,f=-5.3!) USER MOD Single : A 18 MET CE :methyl -176:sc= 0 (180deg=-0.0212) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 22:sc= -0.206! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 40 MET CE :methyl 174:sc= -6.23! (180deg=-6.4!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.48 K(o=-0.48,f=-4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.657 X(o=-0.66,f=-0.59) USER MOD Single : A 73 SER OG : rot -36:sc= 1.19 USER MOD Single : A 76 LYS NZ :NH3+ 148:sc= 0.932 (180deg=-0.411) USER MOD Single : A 82 MET CE :methyl 159:sc= -1.34 (180deg=-2.65!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.21 F(o=-0.83!,f=-0.21) USER MOD Single : A 86 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.2) USER MOD Single : A 89 SER OG : rot 95:sc= 0.0308 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -8:sc= -0.454 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -176:sc= 0.969 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.883 -14.956 12.944 1.00 3.92 N ATOM 2 CA PRO A 1 -18.447 -15.238 12.668 1.00 3.44 C ATOM 3 C PRO A 1 -17.591 -14.015 13.009 1.00 3.50 C ATOM 4 O PRO A 1 -16.880 -13.491 12.174 1.00 4.94 O ATOM 5 CB PRO A 1 -18.411 -15.521 11.170 1.00 2.00 C ATOM 6 CG PRO A 1 -19.601 -14.807 10.617 1.00 4.99 C ATOM 7 CD PRO A 1 -20.646 -14.789 11.702 1.00 3.38 C ATOM 0 H2 PRO A 1 -19.963 -14.111 13.510 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.282 -15.719 13.490 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.054 -16.065 13.260 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.487 -15.156 10.721 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -18.463 -16.591 10.968 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -19.338 -13.792 10.318 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -19.976 -15.314 9.728 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -21.204 -13.853 11.701 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.371 -15.592 11.569 1.00 3.38 H new ATOM 17 N THR A 2 -17.656 -13.554 14.228 1.00 3.08 N ATOM 18 CA THR A 2 -16.847 -12.363 14.618 1.00 2.08 C ATOM 19 C THR A 2 -15.780 -12.752 15.648 1.00 2.52 C ATOM 20 O THR A 2 -16.009 -13.569 16.516 1.00 2.28 O ATOM 21 CB THR A 2 -17.855 -11.389 15.232 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.870 -11.099 14.281 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.142 -10.095 15.630 1.00 3.09 C ATOM 0 H THR A 2 -18.233 -13.949 14.970 1.00 3.08 H new ATOM 0 HA THR A 2 -16.319 -11.928 13.769 1.00 2.08 H new ATOM 0 HB THR A 2 -18.303 -11.840 16.117 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.518 -10.477 14.673 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.862 -9.403 16.067 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.364 -10.318 16.360 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.692 -9.641 14.747 1.00 3.09 H new ATOM 31 N VAL A 3 -14.615 -12.169 15.554 1.00 10.00 N ATOM 32 CA VAL A 3 -13.530 -12.498 16.524 1.00 10.00 C ATOM 33 C VAL A 3 -12.575 -11.309 16.662 1.00 10.00 C ATOM 34 O VAL A 3 -11.976 -10.871 15.704 1.00 10.00 O ATOM 35 CB VAL A 3 -12.812 -13.706 15.919 1.00 10.00 C ATOM 36 CG1 VAL A 3 -12.532 -13.449 14.437 1.00 10.00 C ATOM 37 CG2 VAL A 3 -11.493 -13.939 16.658 1.00 10.00 C ATOM 0 H VAL A 3 -14.367 -11.478 14.846 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.912 -12.715 17.522 1.00 10.00 H new ATOM 0 HB VAL A 3 -13.444 -14.589 16.018 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -12.021 -14.311 14.009 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -13.473 -13.287 13.912 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.902 -12.565 14.334 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -10.982 -14.800 16.227 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -10.861 -13.056 16.562 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -11.695 -14.128 17.712 1.00 10.00 H new ATOM 47 N GLU A 4 -12.438 -10.774 17.843 1.00 10.00 N ATOM 48 CA GLU A 4 -11.534 -9.600 18.030 1.00 10.00 C ATOM 49 C GLU A 4 -10.069 -10.037 18.125 1.00 10.00 C ATOM 50 O GLU A 4 -9.659 -10.667 19.081 1.00 10.00 O ATOM 51 CB GLU A 4 -11.986 -8.963 19.343 1.00 50.00 C ATOM 52 CG GLU A 4 -12.118 -7.449 19.155 1.00 50.00 C ATOM 53 CD GLU A 4 -13.453 -6.977 19.732 1.00 50.00 C ATOM 54 OE1 GLU A 4 -14.403 -7.741 19.678 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.504 -5.861 20.220 1.00 50.00 O ATOM 0 H GLU A 4 -12.911 -11.097 18.687 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.592 -8.909 17.189 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.941 -9.386 19.656 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.267 -9.181 20.132 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -11.294 -6.937 19.652 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -12.058 -7.197 18.096 1.00 50.00 H new ATOM 62 N TYR A 5 -9.275 -9.698 17.142 1.00 10.00 N ATOM 63 CA TYR A 5 -7.834 -10.084 17.183 1.00 10.00 C ATOM 64 C TYR A 5 -7.023 -9.012 17.922 1.00 10.00 C ATOM 65 O TYR A 5 -7.367 -7.845 17.916 1.00 10.00 O ATOM 66 CB TYR A 5 -7.401 -10.176 15.719 1.00 10.00 C ATOM 67 CG TYR A 5 -7.623 -8.847 15.036 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.677 -7.823 15.169 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.771 -8.643 14.264 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.883 -6.594 14.531 1.00 50.00 C ATOM 71 CE2 TYR A 5 -8.978 -7.414 13.627 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.033 -6.389 13.759 1.00 50.00 C ATOM 73 OH TYR A 5 -8.236 -5.179 13.128 1.00 50.00 O ATOM 0 H TYR A 5 -9.561 -9.173 16.316 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.673 -11.024 17.710 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -6.349 -10.456 15.658 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.968 -10.956 15.211 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.789 -7.981 15.763 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.498 -9.434 14.159 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -6.154 -5.804 14.634 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.867 -7.256 13.034 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.465 -4.974 12.558 1.00 50.00 H new ATOM 83 N LEU A 6 -5.950 -9.401 18.564 1.00 10.00 N ATOM 84 CA LEU A 6 -5.119 -8.408 19.309 1.00 10.00 C ATOM 85 C LEU A 6 -3.626 -8.646 19.042 1.00 10.00 C ATOM 86 O LEU A 6 -3.183 -9.766 18.883 1.00 10.00 O ATOM 87 CB LEU A 6 -5.443 -8.658 20.784 1.00 12.50 C ATOM 88 CG LEU A 6 -5.980 -7.374 21.421 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.216 -7.606 22.915 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.959 -6.250 21.237 1.00 50.00 C ATOM 0 H LEU A 6 -5.614 -10.363 18.604 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.332 -7.383 19.006 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.181 -9.456 20.874 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.549 -8.990 21.311 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.919 -7.096 20.943 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.598 -6.692 23.369 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.941 -8.409 23.048 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.276 -7.883 23.393 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.340 -5.335 21.690 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -4.021 -6.529 21.716 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.788 -6.084 20.173 1.00 50.00 H new ATOM 102 N ASN A 7 -2.846 -7.600 18.992 1.00 10.00 N ATOM 103 CA ASN A 7 -1.385 -7.764 18.737 1.00 10.00 C ATOM 104 C ASN A 7 -0.686 -8.326 19.978 1.00 10.00 C ATOM 105 O ASN A 7 -0.760 -7.764 21.052 1.00 10.00 O ATOM 106 CB ASN A 7 -0.881 -6.352 18.438 1.00 10.00 C ATOM 107 CG ASN A 7 0.642 -6.372 18.292 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.259 -7.415 18.368 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.278 -5.251 18.086 1.00 12.50 N ATOM 0 H ASN A 7 -3.158 -6.637 19.117 1.00 10.00 H new ATOM 0 HA ASN A 7 -1.184 -8.457 17.920 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.339 -5.977 17.523 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -1.171 -5.674 19.241 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.293 -5.251 17.989 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.760 -4.375 18.022 1.00 12.50 H new ATOM 116 N TYR A 8 0.001 -9.428 19.836 1.00 50.00 N ATOM 117 CA TYR A 8 0.708 -10.019 21.009 1.00 50.00 C ATOM 118 C TYR A 8 1.704 -9.010 21.583 1.00 50.00 C ATOM 119 O TYR A 8 1.952 -8.974 22.773 1.00 50.00 O ATOM 120 CB TYR A 8 1.449 -11.237 20.456 1.00 50.00 C ATOM 121 CG TYR A 8 2.440 -11.728 21.484 1.00 50.00 C ATOM 122 CD1 TYR A 8 1.994 -12.466 22.588 1.00 50.00 C ATOM 123 CD2 TYR A 8 3.802 -11.442 21.337 1.00 50.00 C ATOM 124 CE1 TYR A 8 2.911 -12.918 23.543 1.00 50.00 C ATOM 125 CE2 TYR A 8 4.719 -11.895 22.293 1.00 50.00 C ATOM 126 CZ TYR A 8 4.273 -12.634 23.396 1.00 50.00 C ATOM 127 OH TYR A 8 5.176 -13.081 24.338 1.00 50.00 O ATOM 0 H TYR A 8 0.103 -9.943 18.961 1.00 50.00 H new ATOM 0 HA TYR A 8 0.021 -10.288 21.811 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.740 -12.028 20.211 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.965 -10.974 19.533 1.00 50.00 H new ATOM 0 HD1 TYR A 8 0.943 -12.686 22.702 1.00 50.00 H new ATOM 0 HD2 TYR A 8 4.146 -10.872 20.486 1.00 50.00 H new ATOM 0 HE1 TYR A 8 2.567 -13.487 24.394 1.00 50.00 H new ATOM 0 HE2 TYR A 8 5.770 -11.675 22.180 1.00 50.00 H new ATOM 0 HH TYR A 8 5.483 -12.325 24.881 1.00 50.00 H new ATOM 137 N GLU A 9 2.281 -8.193 20.745 1.00 25.00 N ATOM 138 CA GLU A 9 3.265 -7.188 21.241 1.00 25.00 C ATOM 139 C GLU A 9 2.566 -6.158 22.132 1.00 25.00 C ATOM 140 O GLU A 9 3.115 -5.702 23.115 1.00 25.00 O ATOM 141 CB GLU A 9 3.825 -6.523 19.983 1.00 50.00 C ATOM 142 CG GLU A 9 5.231 -5.989 20.271 1.00 50.00 C ATOM 143 CD GLU A 9 5.954 -5.712 18.952 1.00 50.00 C ATOM 144 OE1 GLU A 9 6.187 -6.656 18.217 1.00 50.00 O ATOM 145 OE2 GLU A 9 6.263 -4.558 18.700 1.00 50.00 O ATOM 0 H GLU A 9 2.114 -8.177 19.739 1.00 25.00 H new ATOM 0 HA GLU A 9 4.052 -7.643 21.842 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.858 -7.241 19.163 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.173 -5.709 19.668 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.170 -5.076 20.863 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.793 -6.714 20.860 1.00 50.00 H new ATOM 152 N THR A 10 1.357 -5.792 21.801 1.00 50.00 N ATOM 153 CA THR A 10 0.631 -4.798 22.641 1.00 50.00 C ATOM 154 C THR A 10 0.356 -5.394 24.023 1.00 50.00 C ATOM 155 O THR A 10 0.182 -4.685 24.994 1.00 50.00 O ATOM 156 CB THR A 10 -0.679 -4.527 21.901 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.390 -4.021 20.605 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.505 -3.502 22.678 1.00 50.00 C ATOM 0 H THR A 10 0.843 -6.136 20.990 1.00 50.00 H new ATOM 0 HA THR A 10 1.203 -3.882 22.791 1.00 50.00 H new ATOM 0 HB THR A 10 -1.246 -5.454 21.813 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.226 -3.895 20.109 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.438 -3.310 22.149 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.725 -3.890 23.672 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.941 -2.573 22.768 1.00 50.00 H new ATOM 166 N LEU A 11 0.322 -6.694 24.114 1.00 50.00 N ATOM 167 CA LEU A 11 0.067 -7.344 25.430 1.00 50.00 C ATOM 168 C LEU A 11 1.319 -7.256 26.307 1.00 50.00 C ATOM 169 O LEU A 11 1.252 -6.906 27.469 1.00 50.00 O ATOM 170 CB LEU A 11 -0.253 -8.801 25.093 1.00 50.00 C ATOM 171 CG LEU A 11 -1.357 -9.309 26.022 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.479 -10.828 25.885 1.00 50.00 C ATOM 173 CD2 LEU A 11 -1.009 -8.954 27.468 1.00 50.00 C ATOM 0 H LEU A 11 0.460 -7.335 23.333 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.743 -6.867 25.982 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -0.571 -8.884 24.054 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.641 -9.415 25.203 1.00 50.00 H new ATOM 0 HG LEU A 11 -2.304 -8.842 25.751 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -2.265 -11.191 26.547 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -1.726 -11.082 24.854 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -0.532 -11.295 26.156 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -1.795 -9.316 28.131 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -0.062 -9.421 27.740 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.921 -7.872 27.566 1.00 50.00 H new ATOM 185 N ASP A 12 2.461 -7.564 25.754 1.00 50.00 N ATOM 186 CA ASP A 12 3.720 -7.492 26.550 1.00 50.00 C ATOM 187 C ASP A 12 4.123 -6.029 26.760 1.00 50.00 C ATOM 188 O ASP A 12 4.404 -5.605 27.863 1.00 50.00 O ATOM 189 CB ASP A 12 4.768 -8.219 25.704 1.00 50.00 C ATOM 190 CG ASP A 12 4.337 -9.672 25.494 1.00 50.00 C ATOM 191 OD1 ASP A 12 3.471 -10.125 26.225 1.00 50.00 O ATOM 192 OD2 ASP A 12 4.882 -10.308 24.606 1.00 50.00 O ATOM 0 H ASP A 12 2.577 -7.862 24.785 1.00 50.00 H new ATOM 0 HA ASP A 12 3.612 -7.941 27.537 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.884 -7.720 24.742 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.738 -8.184 26.199 1.00 50.00 H new ATOM 197 N ASP A 13 4.150 -5.257 25.707 1.00 50.00 N ATOM 198 CA ASP A 13 4.532 -3.822 25.844 1.00 50.00 C ATOM 199 C ASP A 13 3.681 -3.154 26.927 1.00 50.00 C ATOM 200 O ASP A 13 4.191 -2.498 27.813 1.00 50.00 O ATOM 201 CB ASP A 13 4.245 -3.204 24.475 1.00 50.00 C ATOM 202 CG ASP A 13 5.060 -1.920 24.316 1.00 50.00 C ATOM 203 OD1 ASP A 13 5.224 -1.218 25.299 1.00 50.00 O ATOM 204 OD2 ASP A 13 5.509 -1.660 23.211 1.00 50.00 O ATOM 0 H ASP A 13 3.924 -5.558 24.759 1.00 50.00 H new ATOM 0 HA ASP A 13 5.575 -3.695 26.136 1.00 50.00 H new ATOM 0 HB2 ASP A 13 4.500 -3.910 23.685 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.181 -2.987 24.378 1.00 50.00 H new ATOM 209 N GLN A 14 2.388 -3.320 26.865 1.00 50.00 N ATOM 210 CA GLN A 14 1.507 -2.697 27.894 1.00 50.00 C ATOM 211 C GLN A 14 1.531 -3.529 29.180 1.00 50.00 C ATOM 212 O GLN A 14 1.079 -3.093 30.220 1.00 50.00 O ATOM 213 CB GLN A 14 0.108 -2.703 27.277 1.00 50.00 C ATOM 214 CG GLN A 14 0.155 -2.045 25.896 1.00 50.00 C ATOM 215 CD GLN A 14 -0.002 -0.531 26.047 1.00 50.00 C ATOM 216 OE1 GLN A 14 0.054 -0.009 27.142 1.00 50.00 O ATOM 217 NE2 GLN A 14 -0.200 0.202 24.984 1.00 50.00 N ATOM 0 H GLN A 14 1.904 -3.859 26.147 1.00 50.00 H new ATOM 0 HA GLN A 14 1.829 -1.690 28.159 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -0.259 -3.726 27.192 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -0.588 -2.168 27.923 1.00 50.00 H new ATOM 0 HG2 GLN A 14 1.099 -2.276 25.403 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -0.640 -2.443 25.265 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -0.247 -0.236 24.064 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -0.307 1.212 25.074 1.00 50.00 H new ATOM 226 N GLY A 15 2.055 -4.722 29.115 1.00 50.00 N ATOM 227 CA GLY A 15 2.108 -5.581 30.332 1.00 50.00 C ATOM 228 C GLY A 15 0.686 -5.835 30.840 1.00 50.00 C ATOM 229 O GLY A 15 0.452 -5.945 32.027 1.00 50.00 O ATOM 0 H GLY A 15 2.449 -5.139 28.272 1.00 50.00 H new ATOM 0 HA2 GLY A 15 2.598 -6.527 30.101 1.00 50.00 H new ATOM 0 HA3 GLY A 15 2.701 -5.096 31.107 1.00 50.00 H new ATOM 233 N TRP A 16 -0.263 -5.928 29.950 1.00 50.00 N ATOM 234 CA TRP A 16 -1.669 -6.176 30.383 1.00 50.00 C ATOM 235 C TRP A 16 -1.940 -7.679 30.473 1.00 50.00 C ATOM 236 O TRP A 16 -1.161 -8.490 30.013 1.00 50.00 O ATOM 237 CB TRP A 16 -2.535 -5.545 29.292 1.00 50.00 C ATOM 238 CG TRP A 16 -2.572 -4.062 29.474 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.500 -3.423 30.664 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.688 -3.025 28.458 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.566 -2.059 30.443 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.683 -1.764 29.098 1.00 50.00 C ATOM 243 CE3 TRP A 16 -2.798 -3.057 27.056 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.782 -0.575 28.374 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -2.898 -1.863 26.324 1.00 50.00 C ATOM 246 CH2 TRP A 16 -2.891 -0.625 26.981 1.00 50.00 C ATOM 0 H TRP A 16 -0.127 -5.843 28.943 1.00 50.00 H new ATOM 0 HA TRP A 16 -1.876 -5.756 31.367 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -2.134 -5.791 28.309 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.545 -5.952 29.335 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.406 -3.900 31.629 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.532 -1.357 31.182 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -2.806 -4.006 26.540 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -2.774 0.376 28.886 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -2.981 -1.899 25.248 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -2.970 0.289 26.412 1.00 50.00 H new ATOM 257 N ASP A 17 -3.044 -8.057 31.058 1.00 50.00 N ATOM 258 CA ASP A 17 -3.369 -9.509 31.172 1.00 50.00 C ATOM 259 C ASP A 17 -4.144 -9.969 29.936 1.00 50.00 C ATOM 260 O ASP A 17 -4.161 -9.304 28.918 1.00 50.00 O ATOM 261 CB ASP A 17 -4.236 -9.625 32.426 1.00 50.00 C ATOM 262 CG ASP A 17 -3.592 -10.613 33.400 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.381 -10.571 33.541 1.00 50.00 O ATOM 264 OD2 ASP A 17 -4.321 -11.395 33.988 1.00 50.00 O ATOM 0 H ASP A 17 -3.735 -7.424 31.462 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.476 -10.131 31.239 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -4.343 -8.649 32.899 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -5.238 -9.961 32.159 1.00 50.00 H new ATOM 269 N MET A 18 -4.789 -11.101 30.015 1.00 50.00 N ATOM 270 CA MET A 18 -5.562 -11.599 28.844 1.00 50.00 C ATOM 271 C MET A 18 -6.827 -10.757 28.649 1.00 50.00 C ATOM 272 O MET A 18 -7.104 -10.279 27.567 1.00 50.00 O ATOM 273 CB MET A 18 -5.921 -13.043 29.194 1.00 50.00 C ATOM 274 CG MET A 18 -4.636 -13.859 29.359 1.00 50.00 C ATOM 275 SD MET A 18 -4.305 -14.782 27.839 1.00 50.00 S ATOM 276 CE MET A 18 -2.678 -15.418 28.309 1.00 50.00 C ATOM 0 H MET A 18 -4.814 -11.701 30.839 1.00 50.00 H new ATOM 0 HA MET A 18 -4.996 -11.536 27.915 1.00 50.00 H new ATOM 0 HB2 MET A 18 -6.504 -13.072 30.114 1.00 50.00 H new ATOM 0 HB3 MET A 18 -6.542 -13.476 28.410 1.00 50.00 H new ATOM 0 HG2 MET A 18 -3.799 -13.198 29.584 1.00 50.00 H new ATOM 0 HG3 MET A 18 -4.735 -14.546 30.200 1.00 50.00 H new ATOM 0 HE1 MET A 18 -2.247 -15.969 27.473 1.00 50.00 H new ATOM 0 HE2 MET A 18 -2.024 -14.586 28.570 1.00 50.00 H new ATOM 0 HE3 MET A 18 -2.781 -16.082 29.167 1.00 50.00 H new ATOM 286 N ASP A 19 -7.593 -10.569 29.689 1.00 50.00 N ATOM 287 CA ASP A 19 -8.836 -9.754 29.559 1.00 50.00 C ATOM 288 C ASP A 19 -9.291 -9.256 30.934 1.00 50.00 C ATOM 289 O ASP A 19 -10.438 -8.911 31.131 1.00 50.00 O ATOM 290 CB ASP A 19 -9.875 -10.702 28.961 1.00 50.00 C ATOM 291 CG ASP A 19 -10.549 -10.028 27.765 1.00 50.00 C ATOM 292 OD1 ASP A 19 -10.985 -8.899 27.915 1.00 50.00 O ATOM 293 OD2 ASP A 19 -10.619 -10.653 26.719 1.00 50.00 O ATOM 0 H ASP A 19 -7.413 -10.943 30.621 1.00 50.00 H new ATOM 0 HA ASP A 19 -8.685 -8.872 28.937 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -9.398 -11.631 28.648 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -10.620 -10.964 29.712 1.00 50.00 H new ATOM 298 N ASP A 20 -8.399 -9.215 31.887 1.00 50.00 N ATOM 299 CA ASP A 20 -8.783 -8.739 33.246 1.00 50.00 C ATOM 300 C ASP A 20 -8.935 -7.216 33.252 1.00 50.00 C ATOM 301 O ASP A 20 -9.933 -6.685 33.697 1.00 50.00 O ATOM 302 CB ASP A 20 -7.632 -9.167 34.157 1.00 50.00 C ATOM 303 CG ASP A 20 -8.179 -9.506 35.544 1.00 50.00 C ATOM 304 OD1 ASP A 20 -9.232 -10.117 35.611 1.00 50.00 O ATOM 305 OD2 ASP A 20 -7.534 -9.147 36.516 1.00 50.00 O ATOM 0 H ASP A 20 -7.422 -9.490 31.783 1.00 50.00 H new ATOM 0 HA ASP A 20 -9.737 -9.153 33.573 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -7.122 -10.032 33.734 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -6.895 -8.367 34.230 1.00 50.00 H new ATOM 310 N ASP A 21 -7.955 -6.507 32.759 1.00 50.00 N ATOM 311 CA ASP A 21 -8.050 -5.022 32.738 1.00 50.00 C ATOM 312 C ASP A 21 -8.912 -4.566 31.556 1.00 50.00 C ATOM 313 O ASP A 21 -10.120 -4.690 31.577 1.00 50.00 O ATOM 314 CB ASP A 21 -6.606 -4.536 32.593 1.00 50.00 C ATOM 315 CG ASP A 21 -5.775 -5.044 33.773 1.00 50.00 C ATOM 316 OD1 ASP A 21 -6.269 -5.892 34.498 1.00 50.00 O ATOM 317 OD2 ASP A 21 -4.660 -4.577 33.933 1.00 50.00 O ATOM 0 H ASP A 21 -7.094 -6.893 32.371 1.00 50.00 H new ATOM 0 HA ASP A 21 -8.519 -4.619 33.636 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -6.183 -4.895 31.655 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -6.580 -3.447 32.558 1.00 50.00 H new ATOM 322 N ASP A 22 -8.308 -4.046 30.523 1.00 50.00 N ATOM 323 CA ASP A 22 -9.102 -3.595 29.348 1.00 50.00 C ATOM 324 C ASP A 22 -8.354 -3.941 28.064 1.00 50.00 C ATOM 325 O ASP A 22 -8.203 -3.128 27.175 1.00 50.00 O ATOM 326 CB ASP A 22 -9.237 -2.080 29.508 1.00 50.00 C ATOM 327 CG ASP A 22 -10.483 -1.765 30.337 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.191 -2.697 30.684 1.00 50.00 O ATOM 329 OD2 ASP A 22 -10.709 -0.599 30.613 1.00 50.00 O ATOM 0 H ASP A 22 -7.300 -3.914 30.443 1.00 50.00 H new ATOM 0 HA ASP A 22 -10.079 -4.076 29.293 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -8.350 -1.674 29.996 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -9.308 -1.605 28.530 1.00 50.00 H new ATOM 334 N LEU A 23 -7.879 -5.148 27.972 1.00 50.00 N ATOM 335 CA LEU A 23 -7.126 -5.570 26.754 1.00 50.00 C ATOM 336 C LEU A 23 -7.866 -5.143 25.482 1.00 50.00 C ATOM 337 O LEU A 23 -7.586 -4.110 24.905 1.00 50.00 O ATOM 338 CB LEU A 23 -7.057 -7.094 26.846 1.00 50.00 C ATOM 339 CG LEU A 23 -5.792 -7.501 27.606 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.564 -6.932 26.892 1.00 50.00 C ATOM 341 CD2 LEU A 23 -5.855 -6.948 29.031 1.00 50.00 C ATOM 0 H LEU A 23 -7.978 -5.867 28.689 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.138 -5.113 26.706 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -7.940 -7.479 27.356 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -7.050 -7.530 25.847 1.00 50.00 H new ATOM 0 HG LEU A 23 -5.721 -8.588 27.640 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.663 -7.221 27.432 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.520 -7.324 25.876 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.634 -5.845 26.858 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.955 -7.237 29.574 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -5.925 -5.861 28.997 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -6.730 -7.352 29.540 1.00 50.00 H new ATOM 353 N PHE A 24 -8.804 -5.934 25.035 1.00 50.00 N ATOM 354 CA PHE A 24 -9.557 -5.583 23.796 1.00 50.00 C ATOM 355 C PHE A 24 -10.348 -4.285 23.994 1.00 50.00 C ATOM 356 O PHE A 24 -10.899 -3.736 23.060 1.00 50.00 O ATOM 357 CB PHE A 24 -10.508 -6.760 23.568 1.00 50.00 C ATOM 358 CG PHE A 24 -9.740 -7.919 22.976 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.314 -7.869 21.643 1.00 50.00 C ATOM 360 CD2 PHE A 24 -9.453 -9.043 23.761 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.601 -8.942 21.095 1.00 50.00 C ATOM 362 CE2 PHE A 24 -8.740 -10.116 23.212 1.00 50.00 C ATOM 363 CZ PHE A 24 -8.314 -10.066 21.880 1.00 50.00 C ATOM 0 H PHE A 24 -9.082 -6.811 25.476 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.894 -5.418 22.947 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.968 -7.058 24.510 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.316 -6.465 22.898 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.536 -7.003 21.038 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -9.781 -9.082 24.789 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.272 -8.903 20.067 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -8.519 -10.983 23.817 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.764 -10.894 21.457 1.00 50.00 H new ATOM 373 N GLU A 25 -10.414 -3.791 25.200 1.00 50.00 N ATOM 374 CA GLU A 25 -11.174 -2.530 25.445 1.00 50.00 C ATOM 375 C GLU A 25 -10.263 -1.312 25.261 1.00 50.00 C ATOM 376 O GLU A 25 -10.543 -0.430 24.474 1.00 50.00 O ATOM 377 CB GLU A 25 -11.655 -2.629 26.893 1.00 50.00 C ATOM 378 CG GLU A 25 -12.897 -1.753 27.077 1.00 50.00 C ATOM 379 CD GLU A 25 -14.141 -2.534 26.651 1.00 50.00 C ATOM 380 OE1 GLU A 25 -14.195 -2.943 25.503 1.00 50.00 O ATOM 381 OE2 GLU A 25 -15.018 -2.712 27.481 1.00 50.00 O ATOM 0 H GLU A 25 -9.977 -4.203 26.024 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.004 -2.410 24.748 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -11.887 -3.665 27.141 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -10.866 -2.308 27.573 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -12.987 -1.446 28.119 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -12.805 -0.844 26.483 1.00 50.00 H new ATOM 388 N LYS A 26 -9.176 -1.255 25.981 1.00 50.00 N ATOM 389 CA LYS A 26 -8.254 -0.092 25.844 1.00 50.00 C ATOM 390 C LYS A 26 -7.582 -0.106 24.469 1.00 50.00 C ATOM 391 O LYS A 26 -7.263 0.925 23.912 1.00 50.00 O ATOM 392 CB LYS A 26 -7.214 -0.275 26.949 1.00 50.00 C ATOM 393 CG LYS A 26 -6.395 1.010 27.094 1.00 50.00 C ATOM 394 CD LYS A 26 -5.961 1.179 28.551 1.00 50.00 C ATOM 395 CE LYS A 26 -5.796 2.668 28.864 1.00 50.00 C ATOM 396 NZ LYS A 26 -5.502 2.724 30.325 1.00 50.00 N ATOM 0 H LYS A 26 -8.887 -1.962 26.657 1.00 50.00 H new ATOM 0 HA LYS A 26 -8.778 0.860 25.931 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -7.707 -0.514 27.892 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -6.558 -1.113 26.711 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -5.520 0.971 26.445 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -6.988 1.869 26.778 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -6.702 0.736 29.216 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -5.022 0.653 28.725 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -4.986 3.107 28.281 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -6.701 3.225 28.622 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -5.376 3.714 30.616 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -6.293 2.306 30.855 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -4.632 2.191 30.525 1.00 50.00 H new ATOM 410 N ALA A 27 -7.369 -1.268 23.916 1.00 50.00 N ATOM 411 CA ALA A 27 -6.722 -1.346 22.576 1.00 50.00 C ATOM 412 C ALA A 27 -7.509 -0.500 21.576 1.00 50.00 C ATOM 413 O ALA A 27 -6.959 0.055 20.645 1.00 50.00 O ATOM 414 CB ALA A 27 -6.777 -2.825 22.192 1.00 50.00 C ATOM 0 H ALA A 27 -7.615 -2.166 24.333 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.699 -0.971 22.583 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.318 -2.964 21.213 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.237 -3.414 22.933 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.816 -3.153 22.155 1.00 50.00 H new ATOM 420 N ALA A 28 -8.793 -0.393 21.768 1.00 50.00 N ATOM 421 CA ALA A 28 -9.623 0.422 20.836 1.00 50.00 C ATOM 422 C ALA A 28 -9.517 1.904 21.204 1.00 50.00 C ATOM 423 O ALA A 28 -9.941 2.771 20.465 1.00 50.00 O ATOM 424 CB ALA A 28 -11.053 -0.082 21.036 1.00 50.00 C ATOM 0 H ALA A 28 -9.306 -0.835 22.531 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.301 0.326 19.799 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -11.728 0.470 20.383 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.102 -1.144 20.794 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.350 0.068 22.074 1.00 50.00 H new ATOM 430 N ASP A 29 -8.954 2.200 22.344 1.00 50.00 N ATOM 431 CA ASP A 29 -8.818 3.624 22.763 1.00 50.00 C ATOM 432 C ASP A 29 -7.341 3.978 22.957 1.00 50.00 C ATOM 433 O ASP A 29 -7.001 5.068 23.373 1.00 50.00 O ATOM 434 CB ASP A 29 -9.571 3.719 24.090 1.00 50.00 C ATOM 435 CG ASP A 29 -11.022 4.124 23.828 1.00 50.00 C ATOM 436 OD1 ASP A 29 -11.228 5.086 23.107 1.00 50.00 O ATOM 437 OD2 ASP A 29 -11.904 3.464 24.353 1.00 50.00 O ATOM 0 H ASP A 29 -8.582 1.517 23.004 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.215 4.314 22.019 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.538 2.760 24.608 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -9.091 4.450 24.741 1.00 50.00 H new ATOM 442 N ALA A 30 -6.457 3.064 22.657 1.00 50.00 N ATOM 443 CA ALA A 30 -5.003 3.348 22.824 1.00 50.00 C ATOM 444 C ALA A 30 -4.407 3.845 21.504 1.00 50.00 C ATOM 445 O ALA A 30 -3.416 4.546 21.484 1.00 50.00 O ATOM 446 CB ALA A 30 -4.380 2.010 23.221 1.00 50.00 C ATOM 0 H ALA A 30 -6.679 2.133 22.304 1.00 50.00 H new ATOM 0 HA ALA A 30 -4.817 4.121 23.569 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.307 2.136 23.363 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.830 1.660 24.150 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -4.558 1.278 22.434 1.00 50.00 H new ATOM 452 N GLY A 31 -5.006 3.487 20.401 1.00 50.00 N ATOM 453 CA GLY A 31 -4.475 3.936 19.084 1.00 50.00 C ATOM 454 C GLY A 31 -3.495 2.891 18.548 1.00 50.00 C ATOM 455 O GLY A 31 -2.332 3.168 18.331 1.00 50.00 O ATOM 0 H GLY A 31 -5.841 2.903 20.356 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -5.294 4.078 18.379 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -3.975 4.899 19.190 1.00 50.00 H new ATOM 459 N LEU A 32 -3.958 1.690 18.331 1.00 50.00 N ATOM 460 CA LEU A 32 -3.055 0.625 17.809 1.00 50.00 C ATOM 461 C LEU A 32 -3.309 0.406 16.314 1.00 50.00 C ATOM 462 O LEU A 32 -4.331 0.797 15.786 1.00 50.00 O ATOM 463 CB LEU A 32 -3.419 -0.628 18.607 1.00 50.00 C ATOM 464 CG LEU A 32 -2.964 -0.456 20.058 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.641 -1.513 20.933 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.446 -0.623 20.139 1.00 50.00 C ATOM 0 H LEU A 32 -4.923 1.400 18.493 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.002 0.883 17.917 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.495 -0.797 18.569 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -2.943 -1.504 18.166 1.00 50.00 H new ATOM 0 HG LEU A 32 -3.239 0.538 20.410 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -3.317 -1.391 21.967 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.723 -1.395 20.875 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -3.365 -2.507 20.581 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.121 -0.501 21.172 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -1.170 -1.617 19.787 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -0.963 0.130 19.515 1.00 50.00 H new ATOM 478 N ASP A 33 -2.387 -0.212 15.627 1.00 50.00 N ATOM 479 CA ASP A 33 -2.581 -0.449 14.168 1.00 50.00 C ATOM 480 C ASP A 33 -3.806 -1.338 13.930 1.00 50.00 C ATOM 481 O ASP A 33 -4.241 -2.059 14.807 1.00 50.00 O ATOM 482 CB ASP A 33 -1.306 -1.159 13.709 1.00 50.00 C ATOM 483 CG ASP A 33 -0.861 -0.588 12.361 1.00 50.00 C ATOM 484 OD1 ASP A 33 -1.724 -0.196 11.592 1.00 50.00 O ATOM 485 OD2 ASP A 33 0.334 -0.552 12.121 1.00 50.00 O ATOM 0 H ASP A 33 -1.510 -0.562 16.012 1.00 50.00 H new ATOM 0 HA ASP A 33 -2.753 0.478 13.620 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -0.517 -1.028 14.450 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.485 -2.231 13.621 1.00 50.00 H new ATOM 490 N GLY A 34 -4.364 -1.292 12.751 1.00 50.00 N ATOM 491 CA GLY A 34 -5.558 -2.136 12.458 1.00 50.00 C ATOM 492 C GLY A 34 -5.165 -3.611 12.534 1.00 50.00 C ATOM 493 O GLY A 34 -5.891 -4.434 13.055 1.00 50.00 O ATOM 0 H GLY A 34 -4.045 -0.707 11.978 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.353 -1.922 13.173 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -5.949 -1.902 11.468 1.00 50.00 H new ATOM 497 N GLU A 35 -4.016 -3.946 12.021 1.00 50.00 N ATOM 498 CA GLU A 35 -3.559 -5.366 12.063 1.00 50.00 C ATOM 499 C GLU A 35 -3.196 -5.759 13.498 1.00 50.00 C ATOM 500 O GLU A 35 -2.864 -6.894 13.778 1.00 50.00 O ATOM 501 CB GLU A 35 -2.319 -5.404 11.171 1.00 50.00 C ATOM 502 CG GLU A 35 -1.354 -4.295 11.598 1.00 50.00 C ATOM 503 CD GLU A 35 0.082 -4.825 11.567 1.00 50.00 C ATOM 504 OE1 GLU A 35 0.263 -6.006 11.810 1.00 50.00 O ATOM 505 OE2 GLU A 35 0.977 -4.038 11.302 1.00 50.00 O ATOM 0 H GLU A 35 -3.370 -3.297 11.572 1.00 50.00 H new ATOM 0 HA GLU A 35 -4.328 -6.061 11.726 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.831 -6.376 11.248 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -2.604 -5.272 10.127 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -1.451 -3.438 10.931 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -1.603 -3.948 12.601 1.00 50.00 H new ATOM 512 N ASP A 36 -3.251 -4.824 14.408 1.00 50.00 N ATOM 513 CA ASP A 36 -2.902 -5.131 15.823 1.00 50.00 C ATOM 514 C ASP A 36 -4.168 -5.420 16.635 1.00 50.00 C ATOM 515 O ASP A 36 -4.199 -6.319 17.450 1.00 50.00 O ATOM 516 CB ASP A 36 -2.210 -3.860 16.325 1.00 50.00 C ATOM 517 CG ASP A 36 -2.167 -3.850 17.854 1.00 50.00 C ATOM 518 OD1 ASP A 36 -3.225 -3.899 18.461 1.00 50.00 O ATOM 519 OD2 ASP A 36 -1.075 -3.785 18.394 1.00 50.00 O ATOM 0 H ASP A 36 -3.524 -3.857 14.230 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.268 -6.013 15.919 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -1.197 -3.807 15.925 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -2.742 -2.980 15.963 1.00 50.00 H new ATOM 524 N TYR A 37 -5.211 -4.667 16.423 1.00 12.50 N ATOM 525 CA TYR A 37 -6.465 -4.909 17.194 1.00 12.50 C ATOM 526 C TYR A 37 -7.693 -4.579 16.341 1.00 12.50 C ATOM 527 O TYR A 37 -7.696 -3.633 15.578 1.00 12.50 O ATOM 528 CB TYR A 37 -6.369 -3.967 18.397 1.00 12.50 C ATOM 529 CG TYR A 37 -7.738 -3.765 19.003 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.219 -4.661 19.965 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.525 -2.679 18.603 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.487 -4.471 20.526 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.793 -2.489 19.164 1.00 50.00 C ATOM 534 CZ TYR A 37 -10.274 -3.385 20.126 1.00 12.50 C ATOM 535 OH TYR A 37 -11.523 -3.197 20.680 1.00 50.00 O ATOM 0 H TYR A 37 -5.251 -3.898 15.754 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.571 -5.951 17.496 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.690 -4.382 19.142 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.954 -3.008 18.087 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.612 -5.499 20.274 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -8.154 -1.987 17.861 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.858 -5.163 21.268 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -10.400 -1.651 18.855 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.571 -3.660 21.543 1.00 50.00 H new ATOM 545 N GLY A 38 -8.737 -5.352 16.469 1.00 10.00 N ATOM 546 CA GLY A 38 -9.966 -5.081 15.670 1.00 10.00 C ATOM 547 C GLY A 38 -10.834 -6.341 15.619 1.00 10.00 C ATOM 548 O GLY A 38 -10.373 -7.435 15.872 1.00 10.00 O ATOM 0 H GLY A 38 -8.792 -6.158 17.091 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.527 -4.259 16.114 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.695 -4.773 14.660 1.00 10.00 H new ATOM 552 N THR A 39 -12.089 -6.193 15.288 1.00 10.00 N ATOM 553 CA THR A 39 -12.985 -7.382 15.216 1.00 10.00 C ATOM 554 C THR A 39 -12.798 -8.095 13.876 1.00 10.00 C ATOM 555 O THR A 39 -12.984 -7.515 12.824 1.00 10.00 O ATOM 556 CB THR A 39 -14.404 -6.821 15.330 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.350 -5.501 15.854 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.233 -7.709 16.259 1.00 50.00 C ATOM 0 H THR A 39 -12.531 -5.301 15.065 1.00 10.00 H new ATOM 0 HA THR A 39 -12.773 -8.109 16.000 1.00 10.00 H new ATOM 0 HB THR A 39 -14.867 -6.801 14.343 1.00 50.00 H new ATOM 0 HG1 THR A 39 -15.258 -5.140 15.926 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.243 -7.308 16.339 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.275 -8.720 15.854 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.772 -7.732 17.247 1.00 50.00 H new ATOM 566 N MET A 40 -12.437 -9.349 13.899 1.00 10.00 N ATOM 567 CA MET A 40 -12.246 -10.083 12.620 1.00 10.00 C ATOM 568 C MET A 40 -13.547 -10.788 12.230 1.00 10.00 C ATOM 569 O MET A 40 -14.274 -11.276 13.073 1.00 10.00 O ATOM 570 CB MET A 40 -11.138 -11.102 12.896 1.00 10.00 C ATOM 571 CG MET A 40 -11.147 -12.177 11.808 1.00 10.00 C ATOM 572 SD MET A 40 -9.795 -13.343 12.105 1.00 12.50 S ATOM 573 CE MET A 40 -8.612 -12.620 10.942 1.00 50.00 C ATOM 0 H MET A 40 -12.267 -9.893 14.745 1.00 10.00 H new ATOM 0 HA MET A 40 -11.979 -9.420 11.797 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.169 -10.603 12.920 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.286 -11.559 13.874 1.00 10.00 H new ATOM 0 HG2 MET A 40 -12.102 -12.703 11.808 1.00 10.00 H new ATOM 0 HG3 MET A 40 -11.036 -11.717 10.826 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.651 -13.126 11.038 1.00 50.00 H new ATOM 0 HE2 MET A 40 -8.984 -12.738 9.924 1.00 50.00 H new ATOM 0 HE3 MET A 40 -8.487 -11.560 11.162 1.00 50.00 H new ATOM 583 N GLU A 41 -13.851 -10.842 10.964 1.00 10.00 N ATOM 584 CA GLU A 41 -15.111 -11.513 10.532 1.00 10.00 C ATOM 585 C GLU A 41 -14.794 -12.730 9.661 1.00 10.00 C ATOM 586 O GLU A 41 -14.643 -12.623 8.461 1.00 10.00 O ATOM 587 CB GLU A 41 -15.862 -10.456 9.724 1.00 10.00 C ATOM 588 CG GLU A 41 -17.169 -11.051 9.198 1.00 10.00 C ATOM 589 CD GLU A 41 -18.220 -11.030 10.310 1.00 12.50 C ATOM 590 OE1 GLU A 41 -18.869 -10.010 10.466 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.358 -12.036 10.987 1.00 12.50 O ATOM 0 H GLU A 41 -13.284 -10.452 10.211 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.697 -11.875 11.377 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -16.071 -9.586 10.347 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -15.246 -10.112 8.893 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.521 -10.481 8.339 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -17.005 -12.073 8.857 1.00 10.00 H new ATOM 598 N VAL A 42 -14.696 -13.887 10.255 1.00 10.00 N ATOM 599 CA VAL A 42 -14.394 -15.109 9.455 1.00 10.00 C ATOM 600 C VAL A 42 -15.598 -16.051 9.463 1.00 10.00 C ATOM 601 O VAL A 42 -15.977 -16.580 10.490 1.00 10.00 O ATOM 602 CB VAL A 42 -13.201 -15.758 10.157 1.00 10.00 C ATOM 603 CG1 VAL A 42 -12.684 -16.923 9.311 1.00 10.00 C ATOM 604 CG2 VAL A 42 -12.087 -14.725 10.333 1.00 10.00 C ATOM 0 H VAL A 42 -14.811 -14.040 11.257 1.00 10.00 H new ATOM 0 HA VAL A 42 -14.176 -14.878 8.412 1.00 10.00 H new ATOM 0 HB VAL A 42 -13.513 -16.127 11.134 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -11.833 -17.386 9.811 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.476 -17.661 9.185 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.373 -16.553 8.334 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -11.237 -15.188 10.834 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -11.776 -14.356 9.356 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -12.454 -13.894 10.935 1.00 10.00 H new ATOM 614 N ALA A 43 -16.204 -16.268 8.329 1.00 10.00 N ATOM 615 CA ALA A 43 -17.382 -17.178 8.280 1.00 10.00 C ATOM 616 C ALA A 43 -16.926 -18.635 8.394 1.00 10.00 C ATOM 617 O ALA A 43 -15.791 -18.962 8.112 1.00 10.00 O ATOM 618 CB ALA A 43 -18.028 -16.923 6.917 1.00 50.00 C ATOM 0 H ALA A 43 -15.935 -15.855 7.436 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.078 -16.996 9.099 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.906 -17.559 6.806 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -18.326 -15.877 6.846 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -17.312 -17.151 6.127 1.00 50.00 H new ATOM 624 N GLU A 44 -17.799 -19.511 8.808 1.00 10.00 N ATOM 625 CA GLU A 44 -17.408 -20.944 8.939 1.00 10.00 C ATOM 626 C GLU A 44 -16.964 -21.493 7.581 1.00 10.00 C ATOM 627 O GLU A 44 -17.742 -21.586 6.653 1.00 10.00 O ATOM 628 CB GLU A 44 -18.671 -21.656 9.425 1.00 10.00 C ATOM 629 CG GLU A 44 -18.311 -22.619 10.559 1.00 10.00 C ATOM 630 CD GLU A 44 -19.314 -22.457 11.703 1.00 25.00 C ATOM 631 OE1 GLU A 44 -19.176 -21.508 12.457 1.00 25.00 O ATOM 632 OE2 GLU A 44 -20.203 -23.286 11.807 1.00 25.00 O ATOM 0 H GLU A 44 -18.764 -19.298 9.061 1.00 10.00 H new ATOM 0 HA GLU A 44 -16.574 -21.087 9.626 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.402 -20.926 9.772 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.132 -22.202 8.602 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -18.321 -23.646 10.195 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -17.301 -22.417 10.915 1.00 10.00 H new ATOM 639 N GLY A 45 -15.716 -21.852 7.459 1.00 10.00 N ATOM 640 CA GLY A 45 -15.218 -22.390 6.162 1.00 10.00 C ATOM 641 C GLY A 45 -14.239 -21.390 5.544 1.00 10.00 C ATOM 642 O GLY A 45 -13.844 -21.520 4.402 1.00 10.00 O ATOM 0 H GLY A 45 -15.019 -21.796 8.202 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.726 -23.350 6.318 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -16.053 -22.566 5.484 1.00 10.00 H new ATOM 646 N GLU A 46 -13.847 -20.392 6.289 1.00 10.00 N ATOM 647 CA GLU A 46 -12.895 -19.383 5.739 1.00 10.00 C ATOM 648 C GLU A 46 -11.633 -19.311 6.604 1.00 10.00 C ATOM 649 O GLU A 46 -11.698 -19.082 7.796 1.00 10.00 O ATOM 650 CB GLU A 46 -13.654 -18.057 5.791 1.00 10.00 C ATOM 651 CG GLU A 46 -13.947 -17.580 4.367 1.00 10.00 C ATOM 652 CD GLU A 46 -15.380 -17.053 4.290 1.00 10.00 C ATOM 653 OE1 GLU A 46 -15.738 -16.242 5.129 1.00 10.00 O ATOM 654 OE2 GLU A 46 -16.096 -17.467 3.393 1.00 10.00 O ATOM 0 H GLU A 46 -14.143 -20.231 7.252 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.571 -19.632 4.729 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.586 -18.181 6.343 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -13.065 -17.309 6.322 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.244 -16.797 4.083 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -13.812 -18.400 3.662 1.00 10.00 H new ATOM 661 N TYR A 47 -10.483 -19.503 6.014 1.00 10.00 N ATOM 662 CA TYR A 47 -9.220 -19.443 6.803 1.00 10.00 C ATOM 663 C TYR A 47 -9.099 -18.082 7.499 1.00 10.00 C ATOM 664 O TYR A 47 -9.133 -17.046 6.866 1.00 10.00 O ATOM 665 CB TYR A 47 -8.101 -19.617 5.778 1.00 10.00 C ATOM 666 CG TYR A 47 -8.188 -20.991 5.159 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.296 -22.121 5.977 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.158 -21.132 3.767 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.377 -23.395 5.401 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.239 -22.406 3.192 1.00 10.00 C ATOM 671 CZ TYR A 47 -8.348 -23.537 4.008 1.00 10.00 C ATOM 672 OH TYR A 47 -8.427 -24.792 3.442 1.00 10.00 O ATOM 0 H TYR A 47 -10.365 -19.699 5.020 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.183 -20.206 7.580 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.181 -18.853 5.004 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.131 -19.484 6.258 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.317 -22.011 7.051 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -8.072 -20.259 3.137 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.462 -24.268 6.031 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.217 -22.516 2.118 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.394 -24.713 2.466 1.00 10.00 H new ATOM 682 N ILE A 48 -8.962 -18.080 8.796 1.00 10.00 N ATOM 683 CA ILE A 48 -8.845 -16.786 9.532 1.00 10.00 C ATOM 684 C ILE A 48 -7.801 -15.880 8.870 1.00 10.00 C ATOM 685 O ILE A 48 -8.113 -14.812 8.383 1.00 10.00 O ATOM 686 CB ILE A 48 -8.401 -17.175 10.943 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.548 -17.893 11.658 1.00 10.00 C ATOM 688 CG2 ILE A 48 -8.021 -15.915 11.725 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.995 -18.669 12.855 1.00 10.00 C ATOM 0 H ILE A 48 -8.926 -18.916 9.379 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.782 -16.230 9.534 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.538 -17.838 10.883 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -10.292 -17.170 11.992 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -10.051 -18.573 10.970 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -7.705 -16.192 12.731 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.204 -15.403 11.216 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -8.883 -15.251 11.786 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.811 -19.181 13.365 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -8.267 -19.402 12.508 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -8.513 -17.977 13.546 1.00 10.00 H new ATOM 701 N LEU A 49 -6.562 -16.291 8.857 1.00 10.00 N ATOM 702 CA LEU A 49 -5.502 -15.443 8.235 1.00 10.00 C ATOM 703 C LEU A 49 -5.984 -14.863 6.901 1.00 10.00 C ATOM 704 O LEU A 49 -5.698 -13.730 6.570 1.00 10.00 O ATOM 705 CB LEU A 49 -4.317 -16.382 8.009 1.00 10.00 C ATOM 706 CG LEU A 49 -3.296 -15.698 7.099 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.910 -16.295 7.346 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.691 -15.915 5.637 1.00 10.00 C ATOM 0 H LEU A 49 -6.237 -17.175 9.249 1.00 10.00 H new ATOM 0 HA LEU A 49 -5.239 -14.596 8.869 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.856 -16.640 8.962 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.658 -17.314 7.557 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.275 -14.630 7.316 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -1.183 -15.807 6.697 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.628 -16.141 8.388 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.930 -17.363 7.130 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.964 -15.428 4.987 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.713 -16.983 5.421 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.679 -15.489 5.460 1.00 10.00 H new ATOM 720 N GLU A 50 -6.708 -15.628 6.131 1.00 10.00 N ATOM 721 CA GLU A 50 -7.195 -15.111 4.819 1.00 10.00 C ATOM 722 C GLU A 50 -8.287 -14.060 5.034 1.00 10.00 C ATOM 723 O GLU A 50 -8.237 -12.979 4.482 1.00 10.00 O ATOM 724 CB GLU A 50 -7.761 -16.332 4.096 1.00 10.00 C ATOM 725 CG GLU A 50 -7.200 -16.389 2.674 1.00 10.00 C ATOM 726 CD GLU A 50 -8.253 -15.877 1.688 1.00 50.00 C ATOM 727 OE1 GLU A 50 -8.489 -14.681 1.672 1.00 50.00 O ATOM 728 OE2 GLU A 50 -8.808 -16.692 0.969 1.00 50.00 O ATOM 0 H GLU A 50 -6.983 -16.585 6.352 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.402 -14.630 4.247 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.501 -17.241 4.638 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.849 -16.279 4.067 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -6.296 -15.784 2.604 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -6.919 -17.412 2.423 1.00 10.00 H new ATOM 735 N ALA A 51 -9.273 -14.367 5.831 1.00 10.00 N ATOM 736 CA ALA A 51 -10.363 -13.380 6.077 1.00 10.00 C ATOM 737 C ALA A 51 -9.767 -12.008 6.387 1.00 10.00 C ATOM 738 O ALA A 51 -10.211 -10.996 5.886 1.00 10.00 O ATOM 739 CB ALA A 51 -11.128 -13.922 7.283 1.00 12.50 C ATOM 0 H ALA A 51 -9.372 -15.256 6.322 1.00 10.00 H new ATOM 0 HA ALA A 51 -11.013 -13.256 5.211 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.949 -13.248 7.526 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.527 -14.909 7.048 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.455 -13.997 8.137 1.00 12.50 H new ATOM 745 N ALA A 52 -8.760 -11.973 7.210 1.00 10.00 N ATOM 746 CA ALA A 52 -8.123 -10.670 7.557 1.00 10.00 C ATOM 747 C ALA A 52 -7.186 -10.229 6.432 1.00 10.00 C ATOM 748 O ALA A 52 -7.007 -9.054 6.184 1.00 10.00 O ATOM 749 CB ALA A 52 -7.337 -10.937 8.840 1.00 10.00 C ATOM 0 H ALA A 52 -8.348 -12.791 7.660 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.856 -9.874 7.692 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.839 -10.021 9.159 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.019 -11.270 9.622 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.591 -11.710 8.656 1.00 10.00 H new ATOM 755 N GLU A 53 -6.591 -11.165 5.748 1.00 10.00 N ATOM 756 CA GLU A 53 -5.670 -10.799 4.635 1.00 10.00 C ATOM 757 C GLU A 53 -6.424 -9.977 3.589 1.00 10.00 C ATOM 758 O GLU A 53 -5.863 -9.128 2.926 1.00 10.00 O ATOM 759 CB GLU A 53 -5.210 -12.132 4.043 1.00 10.00 C ATOM 760 CG GLU A 53 -3.726 -12.341 4.350 1.00 10.00 C ATOM 761 CD GLU A 53 -3.054 -13.032 3.163 1.00 10.00 C ATOM 762 OE1 GLU A 53 -3.771 -13.557 2.325 1.00 10.00 O ATOM 763 OE2 GLU A 53 -1.836 -13.026 3.110 1.00 10.00 O ATOM 0 H GLU A 53 -6.702 -12.166 5.910 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.827 -10.196 4.972 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -5.797 -12.950 4.461 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.374 -12.140 2.965 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -3.246 -11.383 4.547 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.611 -12.946 5.250 1.00 10.00 H new ATOM 770 N ALA A 54 -7.696 -10.224 3.441 1.00 10.00 N ATOM 771 CA ALA A 54 -8.497 -9.458 2.445 1.00 10.00 C ATOM 772 C ALA A 54 -8.769 -8.046 2.970 1.00 10.00 C ATOM 773 O ALA A 54 -9.155 -7.161 2.232 1.00 10.00 O ATOM 774 CB ALA A 54 -9.805 -10.238 2.304 1.00 50.00 C ATOM 0 H ALA A 54 -8.217 -10.925 3.968 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.982 -9.352 1.490 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.452 -9.736 1.585 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.590 -11.248 1.956 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.306 -10.286 3.271 1.00 50.00 H new ATOM 780 N GLN A 55 -8.567 -7.832 4.241 1.00 10.00 N ATOM 781 CA GLN A 55 -8.811 -6.479 4.819 1.00 10.00 C ATOM 782 C GLN A 55 -7.506 -5.679 4.852 1.00 10.00 C ATOM 783 O GLN A 55 -7.512 -4.469 4.963 1.00 10.00 O ATOM 784 CB GLN A 55 -9.315 -6.741 6.239 1.00 10.00 C ATOM 785 CG GLN A 55 -10.827 -6.978 6.209 1.00 10.00 C ATOM 786 CD GLN A 55 -11.523 -5.933 7.083 1.00 10.00 C ATOM 787 OE1 GLN A 55 -10.878 -5.077 7.657 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.821 -5.964 7.208 1.00 10.00 N ATOM 0 H GLN A 55 -8.243 -8.535 4.905 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.525 -5.900 4.234 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.809 -7.609 6.662 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.082 -5.892 6.881 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.196 -6.916 5.185 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.056 -7.981 6.570 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -13.363 -6.682 6.727 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -13.294 -5.270 7.787 1.00 10.00 H new ATOM 797 N GLY A 56 -6.389 -6.345 4.757 1.00 10.00 N ATOM 798 CA GLY A 56 -5.086 -5.624 4.783 1.00 10.00 C ATOM 799 C GLY A 56 -4.311 -6.020 6.042 1.00 10.00 C ATOM 800 O GLY A 56 -3.379 -5.352 6.444 1.00 10.00 O ATOM 0 H GLY A 56 -6.322 -7.358 4.662 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.505 -5.868 3.893 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.253 -4.547 4.769 1.00 10.00 H new ATOM 804 N TYR A 57 -4.688 -7.103 6.667 1.00 10.00 N ATOM 805 CA TYR A 57 -3.972 -7.540 7.900 1.00 10.00 C ATOM 806 C TYR A 57 -2.818 -8.478 7.537 1.00 10.00 C ATOM 807 O TYR A 57 -2.889 -9.225 6.580 1.00 10.00 O ATOM 808 CB TYR A 57 -5.024 -8.283 8.725 1.00 10.00 C ATOM 809 CG TYR A 57 -6.067 -7.305 9.211 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.683 -6.045 9.686 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.420 -7.661 9.187 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.653 -5.143 10.138 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.390 -6.759 9.637 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.006 -5.499 10.113 1.00 12.50 C ATOM 815 OH TYR A 57 -8.962 -4.609 10.558 1.00 12.50 O ATOM 0 H TYR A 57 -5.460 -7.703 6.377 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.541 -6.701 8.446 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.492 -9.060 8.121 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.552 -8.779 9.573 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.639 -5.769 9.704 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.716 -8.633 8.821 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.357 -4.172 10.506 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.434 -7.034 9.617 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.975 -4.606 11.538 1.00 12.50 H new ATOM 825 N ASP A 58 -1.756 -8.448 8.295 1.00 10.00 N ATOM 826 CA ASP A 58 -0.600 -9.341 7.994 1.00 10.00 C ATOM 827 C ASP A 58 -0.382 -10.323 9.147 1.00 10.00 C ATOM 828 O ASP A 58 -0.457 -9.963 10.305 1.00 10.00 O ATOM 829 CB ASP A 58 0.599 -8.404 7.849 1.00 10.00 C ATOM 830 CG ASP A 58 1.857 -9.227 7.561 1.00 10.00 C ATOM 831 OD1 ASP A 58 2.327 -9.892 8.468 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.327 -9.178 6.436 1.00 10.00 O ATOM 0 H ASP A 58 -1.638 -7.845 9.109 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.759 -9.937 7.095 1.00 10.00 H new ATOM 0 HB2 ASP A 58 0.423 -7.693 7.041 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.733 -7.823 8.761 1.00 10.00 H new ATOM 837 N TRP A 59 -0.117 -11.564 8.842 1.00 10.00 N ATOM 838 CA TRP A 59 0.101 -12.567 9.922 1.00 10.00 C ATOM 839 C TRP A 59 1.373 -13.369 9.647 1.00 10.00 C ATOM 840 O TRP A 59 1.783 -13.514 8.511 1.00 10.00 O ATOM 841 CB TRP A 59 -1.128 -13.475 9.876 1.00 10.00 C ATOM 842 CG TRP A 59 -2.367 -12.638 9.898 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.760 -11.808 8.905 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.379 -12.535 10.942 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.944 -11.198 9.276 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.366 -11.614 10.521 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.532 -13.143 12.200 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.468 -11.307 11.318 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.642 -12.837 13.006 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.607 -11.920 12.565 1.00 50.00 C ATOM 0 H TRP A 59 -0.042 -11.926 7.892 1.00 10.00 H new ATOM 0 HA TRP A 59 0.225 -12.101 10.900 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.107 -14.089 8.975 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.122 -14.157 10.726 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.235 -11.648 7.975 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.445 -10.522 8.699 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.793 -13.849 12.549 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.209 -10.600 10.974 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.752 -13.311 13.970 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.457 -11.688 13.189 1.00 50.00 H new ATOM 861 N PRO A 60 1.957 -13.868 10.701 1.00 10.00 N ATOM 862 CA PRO A 60 3.198 -14.667 10.574 1.00 10.00 C ATOM 863 C PRO A 60 2.888 -16.038 9.970 1.00 10.00 C ATOM 864 O PRO A 60 1.966 -16.715 10.382 1.00 10.00 O ATOM 865 CB PRO A 60 3.685 -14.804 12.013 1.00 10.00 C ATOM 866 CG PRO A 60 2.456 -14.646 12.852 1.00 10.00 C ATOM 867 CD PRO A 60 1.521 -13.737 12.096 1.00 10.00 C ATOM 0 HA PRO A 60 3.940 -14.207 9.921 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.156 -15.773 12.180 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.428 -14.043 12.253 1.00 10.00 H new ATOM 0 HG2 PRO A 60 1.988 -15.613 13.037 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.705 -14.221 13.824 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.481 -14.040 12.220 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.597 -12.707 12.444 1.00 10.00 H new ATOM 875 N PHE A 61 3.652 -16.452 8.999 1.00 10.00 N ATOM 876 CA PHE A 61 3.404 -17.779 8.370 1.00 10.00 C ATOM 877 C PHE A 61 4.666 -18.263 7.655 1.00 10.00 C ATOM 878 O PHE A 61 5.468 -17.478 7.188 1.00 10.00 O ATOM 879 CB PHE A 61 2.279 -17.540 7.363 1.00 10.00 C ATOM 880 CG PHE A 61 2.694 -16.463 6.389 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.715 -16.711 5.463 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.057 -15.217 6.411 1.00 10.00 C ATOM 883 CE1 PHE A 61 4.099 -15.712 4.560 1.00 10.00 C ATOM 884 CE2 PHE A 61 2.440 -14.219 5.508 1.00 10.00 C ATOM 885 CZ PHE A 61 3.462 -14.466 4.583 1.00 10.00 C ATOM 0 H PHE A 61 4.438 -15.929 8.613 1.00 10.00 H new ATOM 0 HA PHE A 61 3.137 -18.540 9.103 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.054 -18.462 6.827 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.368 -17.243 7.883 1.00 10.00 H new ATOM 0 HD1 PHE A 61 4.206 -17.673 5.445 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.270 -15.026 7.125 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.886 -15.903 3.846 1.00 10.00 H new ATOM 0 HE2 PHE A 61 1.947 -13.258 5.524 1.00 10.00 H new ATOM 0 HZ PHE A 61 3.759 -13.695 3.887 1.00 10.00 H new ATOM 895 N SER A 62 4.849 -19.548 7.566 1.00 10.00 N ATOM 896 CA SER A 62 6.056 -20.084 6.880 1.00 10.00 C ATOM 897 C SER A 62 5.707 -21.367 6.127 1.00 10.00 C ATOM 898 O SER A 62 5.885 -21.466 4.930 1.00 10.00 O ATOM 899 CB SER A 62 7.054 -20.377 8.002 1.00 10.00 C ATOM 900 OG SER A 62 8.102 -21.193 7.501 1.00 10.00 O ATOM 0 H SER A 62 4.214 -20.253 7.939 1.00 10.00 H new ATOM 0 HA SER A 62 6.460 -19.384 6.148 1.00 10.00 H new ATOM 0 HB2 SER A 62 7.460 -19.445 8.395 1.00 10.00 H new ATOM 0 HB3 SER A 62 6.551 -20.879 8.829 1.00 10.00 H new ATOM 0 HG SER A 62 8.743 -21.380 8.219 1.00 10.00 H new ATOM 906 N CYS A 63 5.219 -22.355 6.824 1.00 10.00 N ATOM 907 CA CYS A 63 4.867 -23.639 6.156 1.00 10.00 C ATOM 908 C CYS A 63 3.514 -23.517 5.420 1.00 10.00 C ATOM 909 O CYS A 63 3.358 -23.991 4.312 1.00 10.00 O ATOM 910 CB CYS A 63 4.836 -24.664 7.302 1.00 10.00 C ATOM 911 SG CYS A 63 3.193 -24.758 8.055 1.00 10.00 S ATOM 0 H CYS A 63 5.048 -22.329 7.829 1.00 10.00 H new ATOM 0 HA CYS A 63 5.577 -23.934 5.384 1.00 10.00 H new ATOM 0 HB2 CYS A 63 5.121 -25.645 6.923 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.570 -24.389 8.059 1.00 10.00 H new ATOM 0 HG CYS A 63 3.229 -24.229 9.242 1.00 10.00 H new ATOM 916 N ARG A 64 2.550 -22.864 6.017 1.00 10.00 N ATOM 917 CA ARG A 64 1.218 -22.679 5.347 1.00 10.00 C ATOM 918 C ARG A 64 0.538 -24.023 5.043 1.00 10.00 C ATOM 919 O ARG A 64 -0.209 -24.151 4.093 1.00 10.00 O ATOM 920 CB ARG A 64 1.533 -21.935 4.049 1.00 10.00 C ATOM 921 CG ARG A 64 1.332 -20.434 4.264 1.00 10.00 C ATOM 922 CD ARG A 64 2.447 -19.664 3.552 1.00 10.00 C ATOM 923 NE ARG A 64 2.033 -19.632 2.120 1.00 10.00 N ATOM 924 CZ ARG A 64 2.897 -19.914 1.185 1.00 10.00 C ATOM 925 NH1 ARG A 64 2.765 -21.006 0.482 1.00 10.00 N ATOM 926 NH2 ARG A 64 3.894 -19.105 0.951 1.00 10.00 N ATOM 0 H ARG A 64 2.625 -22.447 6.945 1.00 10.00 H new ATOM 0 HA ARG A 64 0.525 -22.134 5.988 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.559 -22.136 3.741 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.885 -22.289 3.247 1.00 10.00 H new ATOM 0 HG2 ARG A 64 0.360 -20.127 3.878 1.00 10.00 H new ATOM 0 HG3 ARG A 64 1.339 -20.204 5.329 1.00 10.00 H new ATOM 0 HD2 ARG A 64 2.553 -18.657 3.956 1.00 10.00 H new ATOM 0 HD3 ARG A 64 3.410 -20.159 3.674 1.00 10.00 H new ATOM 0 HE ARG A 64 1.074 -19.389 1.872 1.00 10.00 H new ATOM 0 HH11 ARG A 64 1.986 -21.639 0.664 1.00 10.00 H new ATOM 0 HH12 ARG A 64 3.441 -21.227 -0.249 1.00 10.00 H new ATOM 0 HH21 ARG A 64 3.998 -18.251 1.500 1.00 10.00 H new ATOM 0 HH22 ARG A 64 4.569 -19.326 0.219 1.00 10.00 H new ATOM 940 N ALA A 65 0.781 -25.017 5.846 1.00 10.00 N ATOM 941 CA ALA A 65 0.147 -26.347 5.624 1.00 10.00 C ATOM 942 C ALA A 65 -0.306 -26.949 6.963 1.00 10.00 C ATOM 943 O ALA A 65 -0.809 -28.054 7.016 1.00 10.00 O ATOM 944 CB ALA A 65 1.245 -27.206 4.993 1.00 10.00 C ATOM 0 H ALA A 65 1.398 -24.966 6.656 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.737 -26.284 4.990 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.857 -28.206 4.797 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.569 -26.752 4.056 1.00 10.00 H new ATOM 0 HB3 ALA A 65 2.092 -27.272 5.675 1.00 10.00 H new ATOM 950 N GLY A 66 -0.135 -26.232 8.047 1.00 10.00 N ATOM 951 CA GLY A 66 -0.561 -26.772 9.373 1.00 10.00 C ATOM 952 C GLY A 66 0.518 -27.708 9.929 1.00 10.00 C ATOM 953 O GLY A 66 0.220 -28.731 10.513 1.00 10.00 O ATOM 0 H GLY A 66 0.279 -25.300 8.070 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.737 -25.952 10.069 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.503 -27.310 9.270 1.00 10.00 H new ATOM 957 N ALA A 67 1.771 -27.379 9.746 1.00 10.00 N ATOM 958 CA ALA A 67 2.855 -28.271 10.257 1.00 10.00 C ATOM 959 C ALA A 67 3.898 -27.486 11.069 1.00 10.00 C ATOM 960 O ALA A 67 4.959 -27.996 11.372 1.00 10.00 O ATOM 961 CB ALA A 67 3.498 -28.861 9.004 1.00 10.00 C ATOM 0 H ALA A 67 2.089 -26.536 9.268 1.00 10.00 H new ATOM 0 HA ALA A 67 2.460 -29.034 10.928 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.308 -29.531 9.292 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.750 -29.417 8.439 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.895 -28.056 8.386 1.00 10.00 H new ATOM 967 N CYS A 68 3.616 -26.264 11.434 1.00 10.00 N ATOM 968 CA CYS A 68 4.613 -25.487 12.233 1.00 10.00 C ATOM 969 C CYS A 68 3.896 -24.506 13.176 1.00 10.00 C ATOM 970 O CYS A 68 2.683 -24.459 13.227 1.00 10.00 O ATOM 971 CB CYS A 68 5.494 -24.770 11.194 1.00 10.00 C ATOM 972 SG CYS A 68 4.850 -23.122 10.801 1.00 10.00 S ATOM 0 H CYS A 68 2.749 -25.773 11.217 1.00 10.00 H new ATOM 0 HA CYS A 68 5.221 -26.120 12.879 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.511 -24.683 11.576 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.545 -25.368 10.284 1.00 10.00 H new ATOM 0 HG CYS A 68 5.622 -22.552 9.924 1.00 10.00 H new ATOM 977 N ALA A 69 4.635 -23.736 13.935 1.00 10.00 N ATOM 978 CA ALA A 69 3.982 -22.781 14.884 1.00 10.00 C ATOM 979 C ALA A 69 4.402 -21.333 14.595 1.00 10.00 C ATOM 980 O ALA A 69 4.147 -20.439 15.377 1.00 10.00 O ATOM 981 CB ALA A 69 4.474 -23.210 16.268 1.00 25.00 C ATOM 0 H ALA A 69 5.655 -23.726 13.940 1.00 10.00 H new ATOM 0 HA ALA A 69 2.896 -22.807 14.798 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.040 -22.558 17.026 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.172 -24.240 16.459 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.561 -23.138 16.306 1.00 25.00 H new ATOM 987 N ASN A 70 5.036 -21.091 13.482 1.00 10.00 N ATOM 988 CA ASN A 70 5.459 -19.698 13.154 1.00 10.00 C ATOM 989 C ASN A 70 4.238 -18.774 13.140 1.00 10.00 C ATOM 990 O ASN A 70 4.298 -17.641 13.578 1.00 10.00 O ATOM 991 CB ASN A 70 6.076 -19.790 11.758 1.00 50.00 C ATOM 992 CG ASN A 70 7.587 -19.988 11.880 1.00 50.00 C ATOM 993 OD1 ASN A 70 8.061 -20.576 12.833 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.373 -19.518 10.949 1.00 50.00 N ATOM 0 H ASN A 70 5.280 -21.795 12.785 1.00 10.00 H new ATOM 0 HA ASN A 70 6.162 -19.293 13.883 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.633 -20.620 11.207 1.00 50.00 H new ATOM 0 HB3 ASN A 70 5.862 -18.882 11.194 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.382 -19.644 11.022 1.00 50.00 H new ATOM 0 HD22 ASN A 70 7.977 -19.024 10.149 1.00 50.00 H new ATOM 1001 N CYS A 71 3.130 -19.253 12.645 1.00 10.00 N ATOM 1002 CA CYS A 71 1.899 -18.410 12.608 1.00 10.00 C ATOM 1003 C CYS A 71 1.122 -18.567 13.919 1.00 10.00 C ATOM 1004 O CYS A 71 -0.019 -18.162 14.031 1.00 10.00 O ATOM 1005 CB CYS A 71 1.085 -18.957 11.431 1.00 10.00 C ATOM 1006 SG CYS A 71 0.393 -20.571 11.872 1.00 10.00 S ATOM 0 H CYS A 71 3.023 -20.193 12.264 1.00 10.00 H new ATOM 0 HA CYS A 71 2.120 -17.349 12.492 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.284 -18.263 11.176 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.719 -19.050 10.549 1.00 10.00 H new ATOM 0 HG CYS A 71 -0.135 -21.119 10.818 1.00 10.00 H new ATOM 1011 N ALA A 72 1.731 -19.168 14.903 1.00 10.00 N ATOM 1012 CA ALA A 72 1.037 -19.377 16.207 1.00 10.00 C ATOM 1013 C ALA A 72 0.318 -18.102 16.666 1.00 10.00 C ATOM 1014 O ALA A 72 0.661 -17.000 16.282 1.00 10.00 O ATOM 1015 CB ALA A 72 2.150 -19.744 17.186 1.00 10.00 C ATOM 0 H ALA A 72 2.685 -19.526 14.861 1.00 10.00 H new ATOM 0 HA ALA A 72 0.271 -20.149 16.137 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.723 -19.915 18.174 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.650 -20.650 16.845 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.872 -18.929 17.239 1.00 10.00 H new ATOM 1021 N SER A 73 -0.679 -18.260 17.496 1.00 10.00 N ATOM 1022 CA SER A 73 -1.443 -17.084 18.010 1.00 10.00 C ATOM 1023 C SER A 73 -1.690 -17.243 19.510 1.00 10.00 C ATOM 1024 O SER A 73 -1.011 -17.988 20.186 1.00 10.00 O ATOM 1025 CB SER A 73 -2.767 -17.111 17.248 1.00 50.00 C ATOM 1026 OG SER A 73 -3.015 -15.833 16.683 1.00 50.00 O ATOM 0 H SER A 73 -1.000 -19.163 17.844 1.00 10.00 H new ATOM 0 HA SER A 73 -0.909 -16.145 17.867 1.00 10.00 H new ATOM 0 HB2 SER A 73 -2.732 -17.867 16.463 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.580 -17.387 17.920 1.00 50.00 H new ATOM 0 HG SER A 73 -2.694 -15.137 17.294 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.661 -16.551 20.031 1.00 10.00 N ATOM 1033 CA ILE A 74 -2.967 -16.662 21.485 1.00 10.00 C ATOM 1034 C ILE A 74 -4.465 -16.429 21.718 1.00 10.00 C ATOM 1035 O ILE A 74 -4.881 -15.373 22.151 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.130 -15.572 22.154 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.676 -16.041 22.259 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.678 -15.296 23.557 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.626 -17.395 22.970 1.00 10.00 C ATOM 0 H ILE A 74 -3.260 -15.910 19.511 1.00 10.00 H new ATOM 0 HA ILE A 74 -2.733 -17.647 21.890 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.178 -14.660 21.559 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.237 -16.124 21.265 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.085 -15.308 22.808 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.081 -14.519 24.034 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.714 -14.965 23.484 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.629 -16.208 24.152 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.409 -17.729 23.045 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.049 -17.297 23.970 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.203 -18.125 22.403 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.275 -17.411 21.424 1.00 10.00 N ATOM 1052 CA VAL A 75 -6.752 -17.254 21.616 1.00 10.00 C ATOM 1053 C VAL A 75 -7.065 -16.779 23.041 1.00 10.00 C ATOM 1054 O VAL A 75 -6.777 -17.455 24.007 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.330 -18.651 21.377 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -6.850 -19.600 22.475 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -8.859 -18.580 21.396 1.00 50.00 C ATOM 0 H VAL A 75 -4.980 -18.317 21.059 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.176 -16.512 20.940 1.00 10.00 H new ATOM 0 HB VAL A 75 -6.994 -19.021 20.408 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.263 -20.594 22.303 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -5.761 -19.652 22.461 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.183 -19.232 23.445 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.272 -19.574 21.226 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.194 -18.209 22.365 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.202 -17.906 20.611 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.658 -15.622 23.182 1.00 10.00 N ATOM 1068 CA LYS A 76 -7.987 -15.116 24.545 1.00 10.00 C ATOM 1069 C LYS A 76 -9.383 -15.584 24.964 1.00 10.00 C ATOM 1070 O LYS A 76 -9.755 -15.500 26.119 1.00 10.00 O ATOM 1071 CB LYS A 76 -7.948 -13.593 24.421 1.00 25.00 C ATOM 1072 CG LYS A 76 -6.507 -13.136 24.184 1.00 25.00 C ATOM 1073 CD LYS A 76 -5.950 -12.519 25.468 1.00 50.00 C ATOM 1074 CE LYS A 76 -4.717 -11.676 25.138 1.00 50.00 C ATOM 1075 NZ LYS A 76 -5.083 -10.290 25.544 1.00 50.00 N ATOM 0 H LYS A 76 -7.928 -15.008 22.413 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.291 -15.483 25.299 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -8.584 -13.268 23.597 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.342 -13.134 25.328 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -5.892 -13.982 23.878 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -6.474 -12.408 23.374 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -6.709 -11.900 25.945 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -5.687 -13.304 26.177 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -3.840 -12.029 25.681 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -4.476 -11.726 24.076 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -4.232 -9.787 25.869 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -5.493 -9.787 24.731 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -5.779 -10.327 26.316 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.161 -16.074 24.038 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.532 -16.543 24.391 1.00 10.00 C ATOM 1091 C GLU A 77 -12.257 -17.069 23.148 1.00 10.00 C ATOM 1092 O GLU A 77 -11.823 -16.866 22.031 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.243 -15.304 24.937 1.00 10.00 C ATOM 1094 CG GLU A 77 -12.643 -15.544 26.394 1.00 10.00 C ATOM 1095 CD GLU A 77 -13.408 -14.327 26.919 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -12.978 -13.218 26.647 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -14.413 -14.526 27.583 1.00 25.00 O ATOM 0 H GLU A 77 -9.908 -16.170 23.055 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.512 -17.359 25.113 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.588 -14.436 24.867 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.127 -15.085 24.338 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.263 -16.437 26.470 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -11.755 -15.719 27.002 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.359 -17.743 23.335 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.114 -18.280 22.168 1.00 10.00 C ATOM 1106 C GLY A 78 -13.545 -19.645 21.776 1.00 10.00 C ATOM 1107 O GLY A 78 -13.047 -20.383 22.602 1.00 10.00 O ATOM 0 H GLY A 78 -13.769 -17.945 24.247 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.171 -18.373 22.417 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.044 -17.590 21.327 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.616 -19.986 20.518 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.079 -21.303 20.072 1.00 10.00 C ATOM 1113 C GLU A 79 -12.759 -21.260 18.574 1.00 10.00 C ATOM 1114 O GLU A 79 -13.390 -20.551 17.816 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.197 -22.305 20.358 1.00 25.00 C ATOM 1116 CG GLU A 79 -13.710 -23.718 20.031 1.00 25.00 C ATOM 1117 CD GLU A 79 -12.564 -24.094 20.973 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -12.448 -23.469 22.013 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -11.821 -25.002 20.636 1.00 50.00 O ATOM 0 H GLU A 79 -14.022 -19.410 19.781 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.156 -21.571 20.586 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.495 -22.245 21.405 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.077 -22.065 19.761 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -14.529 -24.430 20.135 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.375 -23.768 18.995 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.782 -22.012 18.142 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.421 -22.009 16.696 1.00 10.00 C ATOM 1128 C ILE A 80 -11.461 -23.435 16.137 1.00 10.00 C ATOM 1129 O ILE A 80 -11.110 -24.386 16.806 1.00 10.00 O ATOM 1130 CB ILE A 80 -9.997 -21.448 16.651 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.027 -19.958 16.994 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.406 -21.634 15.249 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.835 -19.615 17.890 1.00 50.00 C ATOM 0 H ILE A 80 -11.219 -22.628 18.728 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.112 -21.418 16.095 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.380 -21.981 17.374 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -9.992 -19.363 16.081 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.960 -19.710 17.501 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.393 -21.232 15.225 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.382 -22.695 15.002 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.023 -21.107 14.521 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.857 -18.553 18.134 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.890 -20.200 18.808 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -7.908 -19.848 17.367 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.884 -23.586 14.912 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.943 -24.946 14.304 1.00 10.00 C ATOM 1147 C ASP A 81 -10.575 -25.325 13.731 1.00 10.00 C ATOM 1148 O ASP A 81 -9.966 -24.569 13.001 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.978 -24.832 13.184 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.632 -26.196 12.955 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.397 -27.086 13.756 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -14.357 -26.328 11.983 1.00 10.00 O ATOM 0 H ASP A 81 -12.192 -22.826 14.305 1.00 10.00 H new ATOM 0 HA ASP A 81 -12.209 -25.714 15.030 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.735 -24.093 13.447 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.501 -24.487 12.267 1.00 10.00 H new ATOM 1157 N MET A 82 -10.087 -26.489 14.059 1.00 12.50 N ATOM 1158 CA MET A 82 -8.757 -26.913 13.534 1.00 12.50 C ATOM 1159 C MET A 82 -8.892 -28.224 12.754 1.00 12.50 C ATOM 1160 O MET A 82 -9.981 -28.699 12.503 1.00 12.50 O ATOM 1161 CB MET A 82 -7.889 -27.114 14.777 1.00 12.50 C ATOM 1162 CG MET A 82 -6.497 -26.529 14.527 1.00 12.50 C ATOM 1163 SD MET A 82 -5.318 -27.262 15.688 1.00 12.50 S ATOM 1164 CE MET A 82 -5.340 -28.938 15.008 1.00 50.00 C ATOM 0 H MET A 82 -10.550 -27.165 14.667 1.00 12.50 H new ATOM 0 HA MET A 82 -8.327 -26.180 12.851 1.00 12.50 H new ATOM 0 HB2 MET A 82 -8.350 -26.629 15.638 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.812 -28.176 15.012 1.00 12.50 H new ATOM 0 HG2 MET A 82 -6.186 -26.728 13.502 1.00 12.50 H new ATOM 0 HG3 MET A 82 -6.519 -25.446 14.649 1.00 12.50 H new ATOM 0 HE1 MET A 82 -4.436 -29.466 15.312 1.00 50.00 H new ATOM 0 HE2 MET A 82 -6.214 -29.471 15.382 1.00 50.00 H new ATOM 0 HE3 MET A 82 -5.383 -28.889 13.920 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.792 -28.812 12.371 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.858 -30.091 11.609 1.00 50.00 C ATOM 1176 C ASP A 83 -7.117 -31.196 12.366 1.00 50.00 C ATOM 1177 O ASP A 83 -6.562 -30.972 13.424 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.168 -29.797 10.277 1.00 50.00 C ATOM 1179 CG ASP A 83 -8.203 -29.293 9.270 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -9.267 -28.879 9.701 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -7.915 -29.331 8.086 1.00 50.00 O ATOM 0 H ASP A 83 -6.851 -28.462 12.553 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.883 -30.435 11.468 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -6.386 -29.050 10.417 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -6.684 -30.698 9.899 1.00 50.00 H new ATOM 1186 N MET A 84 -7.104 -32.386 11.833 1.00 50.00 N ATOM 1187 CA MET A 84 -6.397 -33.504 12.523 1.00 50.00 C ATOM 1188 C MET A 84 -4.891 -33.422 12.260 1.00 50.00 C ATOM 1189 O MET A 84 -4.450 -33.380 11.129 1.00 50.00 O ATOM 1190 CB MET A 84 -6.982 -34.776 11.910 1.00 50.00 C ATOM 1191 CG MET A 84 -8.426 -34.952 12.381 1.00 50.00 C ATOM 1192 SD MET A 84 -8.453 -35.175 14.176 1.00 50.00 S ATOM 1193 CE MET A 84 -9.829 -36.349 14.239 1.00 50.00 C ATOM 0 H MET A 84 -7.551 -32.634 10.951 1.00 50.00 H new ATOM 0 HA MET A 84 -6.530 -33.473 13.604 1.00 50.00 H new ATOM 0 HB2 MET A 84 -6.948 -34.717 10.822 1.00 50.00 H new ATOM 0 HB3 MET A 84 -6.385 -35.640 12.201 1.00 50.00 H new ATOM 0 HG2 MET A 84 -9.019 -34.081 12.103 1.00 50.00 H new ATOM 0 HG3 MET A 84 -8.877 -35.814 11.890 1.00 50.00 H new ATOM 0 HE1 MET A 84 -10.022 -36.628 15.275 1.00 50.00 H new ATOM 0 HE2 MET A 84 -10.721 -35.887 13.815 1.00 50.00 H new ATOM 0 HE3 MET A 84 -9.574 -37.240 13.665 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.098 -33.398 13.296 1.00 16.66 N ATOM 1204 CA GLN A 85 -2.622 -33.318 13.104 1.00 16.66 C ATOM 1205 C GLN A 85 -1.905 -33.528 14.441 1.00 16.66 C ATOM 1206 O GLN A 85 -2.499 -33.946 15.416 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.368 -31.906 12.576 1.00 16.66 C ATOM 1208 CG GLN A 85 -1.275 -31.950 11.506 1.00 16.66 C ATOM 1209 CD GLN A 85 -1.805 -31.335 10.210 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -2.842 -31.869 9.624 1.00 16.66 O flip ATOM 1211 NE2 GLN A 85 -1.270 -30.358 9.724 1.00 16.66 N flip ATOM 0 H GLN A 85 -4.408 -33.430 14.267 1.00 16.66 H new ATOM 0 HA GLN A 85 -2.251 -34.082 12.420 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -3.285 -31.492 12.157 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -2.066 -31.250 13.392 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -0.395 -31.404 11.847 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -0.963 -32.980 11.332 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -0.460 -29.940 10.181 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -1.631 -29.956 8.859 1.00 16.66 H new ATOM 1220 N GLN A 86 -0.634 -33.240 14.495 1.00 16.66 N ATOM 1221 CA GLN A 86 0.117 -33.422 15.770 1.00 16.66 C ATOM 1222 C GLN A 86 1.053 -32.234 16.005 1.00 16.66 C ATOM 1223 O GLN A 86 1.923 -32.276 16.852 1.00 16.66 O ATOM 1224 CB GLN A 86 0.922 -34.708 15.575 1.00 16.66 C ATOM 1225 CG GLN A 86 0.788 -35.586 16.822 1.00 16.66 C ATOM 1226 CD GLN A 86 -0.011 -36.843 16.475 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -0.853 -36.820 15.600 1.00 50.00 O ATOM 1228 NE2 GLN A 86 0.218 -37.948 17.131 1.00 50.00 N ATOM 0 H GLN A 86 -0.083 -32.887 13.713 1.00 16.66 H new ATOM 0 HA GLN A 86 -0.544 -33.482 16.635 1.00 16.66 H new ATOM 0 HB2 GLN A 86 0.562 -35.246 14.698 1.00 16.66 H new ATOM 0 HB3 GLN A 86 1.970 -34.470 15.395 1.00 16.66 H new ATOM 0 HG2 GLN A 86 1.775 -35.860 17.195 1.00 16.66 H new ATOM 0 HG3 GLN A 86 0.289 -35.033 17.618 1.00 16.66 H new ATOM 0 HE21 GLN A 86 0.925 -37.968 17.866 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -0.310 -38.792 16.909 1.00 50.00 H new ATOM 1237 N ILE A 87 0.885 -31.175 15.260 1.00 12.50 N ATOM 1238 CA ILE A 87 1.770 -29.989 15.444 1.00 12.50 C ATOM 1239 C ILE A 87 1.413 -29.252 16.738 1.00 12.50 C ATOM 1240 O ILE A 87 2.233 -28.572 17.322 1.00 12.50 O ATOM 1241 CB ILE A 87 1.504 -29.100 14.228 1.00 50.00 C ATOM 1242 CG1 ILE A 87 2.353 -27.832 14.329 1.00 50.00 C ATOM 1243 CG2 ILE A 87 0.022 -28.722 14.180 1.00 50.00 C ATOM 1244 CD1 ILE A 87 3.834 -28.212 14.356 1.00 50.00 C ATOM 0 H ILE A 87 0.175 -31.080 14.534 1.00 12.50 H new ATOM 0 HA ILE A 87 2.820 -30.269 15.521 1.00 12.50 H new ATOM 0 HB ILE A 87 1.766 -29.642 13.319 1.00 50.00 H new ATOM 0 HG12 ILE A 87 2.150 -27.177 13.482 1.00 50.00 H new ATOM 0 HG13 ILE A 87 2.092 -27.278 15.230 1.00 50.00 H new ATOM 0 HG21 ILE A 87 -0.164 -28.089 13.313 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -0.582 -29.626 14.105 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -0.245 -28.181 15.088 1.00 50.00 H new ATOM 0 HD11 ILE A 87 4.440 -27.309 14.428 1.00 50.00 H new ATOM 0 HD12 ILE A 87 4.030 -28.850 15.217 1.00 50.00 H new ATOM 0 HD13 ILE A 87 4.089 -28.748 13.442 1.00 50.00 H new ATOM 1256 N LEU A 88 0.195 -29.381 17.190 1.00 12.50 N ATOM 1257 CA LEU A 88 -0.212 -28.686 18.445 1.00 12.50 C ATOM 1258 C LEU A 88 -1.220 -29.540 19.219 1.00 12.50 C ATOM 1259 O LEU A 88 -2.081 -30.176 18.643 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.859 -27.379 17.983 1.00 12.50 C ATOM 1261 CG LEU A 88 0.226 -26.325 17.750 1.00 12.50 C ATOM 1262 CD1 LEU A 88 0.019 -25.673 16.382 1.00 12.50 C ATOM 1263 CD2 LEU A 88 0.143 -25.258 18.844 1.00 12.50 C ATOM 0 H LEU A 88 -0.535 -29.937 16.745 1.00 12.50 H new ATOM 0 HA LEU A 88 0.632 -28.509 19.111 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -1.423 -27.545 17.065 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -1.568 -27.027 18.733 1.00 12.50 H new ATOM 0 HG LEU A 88 1.207 -26.800 17.780 1.00 12.50 H new ATOM 0 HD11 LEU A 88 0.792 -24.922 16.216 1.00 12.50 H new ATOM 0 HD12 LEU A 88 0.079 -26.434 15.604 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -0.961 -25.198 16.350 1.00 12.50 H new ATOM 0 HD21 LEU A 88 0.915 -24.507 18.679 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -0.837 -24.783 18.815 1.00 12.50 H new ATOM 0 HD23 LEU A 88 0.292 -25.723 19.818 1.00 12.50 H new ATOM 1275 N SER A 89 -1.120 -29.561 20.520 1.00 12.50 N ATOM 1276 CA SER A 89 -2.074 -30.374 21.328 1.00 12.50 C ATOM 1277 C SER A 89 -3.069 -29.462 22.047 1.00 12.50 C ATOM 1278 O SER A 89 -2.981 -28.252 21.975 1.00 12.50 O ATOM 1279 CB SER A 89 -1.202 -31.121 22.337 1.00 12.50 C ATOM 1280 OG SER A 89 0.135 -31.172 21.862 1.00 12.50 O ATOM 0 H SER A 89 -0.420 -29.051 21.058 1.00 12.50 H new ATOM 0 HA SER A 89 -2.659 -31.057 20.712 1.00 12.50 H new ATOM 0 HB2 SER A 89 -1.236 -30.620 23.304 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.585 -32.131 22.487 1.00 12.50 H new ATOM 0 HG SER A 89 0.647 -30.429 22.244 1.00 12.50 H new ATOM 1286 N ASP A 90 -4.018 -30.031 22.739 1.00 10.00 N ATOM 1287 CA ASP A 90 -5.020 -29.195 23.460 1.00 10.00 C ATOM 1288 C ASP A 90 -4.347 -28.404 24.584 1.00 10.00 C ATOM 1289 O ASP A 90 -4.676 -27.264 24.839 1.00 10.00 O ATOM 1290 CB ASP A 90 -6.030 -30.189 24.033 1.00 10.00 C ATOM 1291 CG ASP A 90 -7.192 -29.424 24.669 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -7.489 -28.338 24.197 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -7.764 -29.937 25.616 1.00 10.00 O ATOM 0 H ASP A 90 -4.143 -31.039 22.836 1.00 10.00 H new ATOM 0 HA ASP A 90 -5.494 -28.466 22.803 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -6.400 -30.844 23.244 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -5.549 -30.825 24.776 1.00 10.00 H new ATOM 1298 N GLU A 91 -3.406 -29.001 25.259 1.00 12.50 N ATOM 1299 CA GLU A 91 -2.714 -28.278 26.365 1.00 12.50 C ATOM 1300 C GLU A 91 -2.083 -26.989 25.836 1.00 12.50 C ATOM 1301 O GLU A 91 -1.856 -26.050 26.572 1.00 12.50 O ATOM 1302 CB GLU A 91 -1.632 -29.239 26.858 1.00 12.50 C ATOM 1303 CG GLU A 91 -2.257 -30.292 27.776 1.00 12.50 C ATOM 1304 CD GLU A 91 -1.170 -31.253 28.262 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -0.105 -30.780 28.624 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -1.420 -32.448 28.262 1.00 50.00 O ATOM 0 H GLU A 91 -3.086 -29.955 25.095 1.00 12.50 H new ATOM 0 HA GLU A 91 -3.400 -27.995 27.164 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -1.148 -29.723 26.010 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.859 -28.688 27.394 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.738 -29.809 28.627 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -3.032 -30.842 27.242 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.800 -26.937 24.564 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.184 -25.707 23.990 1.00 10.00 C ATOM 1315 C GLU A 92 -2.258 -24.643 23.747 1.00 10.00 C ATOM 1316 O GLU A 92 -2.022 -23.462 23.908 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.564 -26.154 22.666 1.00 50.00 C ATOM 1318 CG GLU A 92 0.946 -26.330 22.842 1.00 50.00 C ATOM 1319 CD GLU A 92 1.315 -27.801 22.643 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.075 -28.580 23.551 1.00 50.00 O ATOM 1321 OE2 GLU A 92 1.832 -28.124 21.586 1.00 50.00 O ATOM 0 H GLU A 92 -1.968 -27.691 23.898 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.444 -25.266 24.658 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.014 -27.091 22.340 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -0.767 -25.416 21.890 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.481 -25.709 22.123 1.00 50.00 H new ATOM 0 HG3 GLU A 92 1.248 -26.000 23.836 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.433 -25.052 23.354 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.518 -24.063 23.097 1.00 10.00 C ATOM 1330 C VAL A 93 -5.171 -23.624 24.412 1.00 10.00 C ATOM 1331 O VAL A 93 -5.878 -22.638 24.463 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.525 -24.803 22.210 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.348 -25.774 23.061 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -6.458 -23.790 21.545 1.00 10.00 C ATOM 0 H VAL A 93 -3.689 -26.027 23.200 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.144 -23.157 22.621 1.00 10.00 H new ATOM 0 HB VAL A 93 -4.988 -25.362 21.444 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.063 -26.298 22.426 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -5.683 -26.497 23.533 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.885 -25.219 23.830 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -7.175 -24.315 20.914 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -6.992 -23.229 22.312 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -5.873 -23.102 20.935 1.00 10.00 H new ATOM 1344 N GLU A 94 -4.947 -24.348 25.475 1.00 12.50 N ATOM 1345 CA GLU A 94 -5.567 -23.964 26.778 1.00 12.50 C ATOM 1346 C GLU A 94 -4.555 -23.224 27.657 1.00 12.50 C ATOM 1347 O GLU A 94 -4.835 -22.165 28.184 1.00 12.50 O ATOM 1348 CB GLU A 94 -5.976 -25.286 27.427 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.483 -25.490 27.258 1.00 12.50 C ATOM 1350 CD GLU A 94 -7.790 -26.986 27.185 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -7.062 -27.751 27.798 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -8.748 -27.342 26.520 1.00 12.50 O ATOM 0 H GLU A 94 -4.365 -25.185 25.499 1.00 12.50 H new ATOM 0 HA GLU A 94 -6.416 -23.293 26.646 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -5.432 -26.112 26.969 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -5.715 -25.280 28.485 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -8.018 -25.039 28.094 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -7.829 -24.992 26.352 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.382 -23.771 27.820 1.00 12.50 N ATOM 1360 CA GLU A 95 -2.357 -23.093 28.668 1.00 12.50 C ATOM 1361 C GLU A 95 -1.588 -22.062 27.838 1.00 12.50 C ATOM 1362 O GLU A 95 -1.128 -21.059 28.347 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.423 -24.210 29.137 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.263 -23.604 29.931 1.00 25.00 C ATOM 1365 CD GLU A 95 0.232 -24.618 30.965 1.00 50.00 C ATOM 1366 OE1 GLU A 95 0.410 -25.768 30.600 1.00 50.00 O ATOM 1367 OE2 GLU A 95 0.426 -24.226 32.104 1.00 50.00 O ATOM 0 H GLU A 95 -3.088 -24.655 27.405 1.00 12.50 H new ATOM 0 HA GLU A 95 -2.803 -22.559 29.508 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -1.970 -24.920 29.757 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.041 -24.764 28.279 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.549 -23.330 29.257 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.587 -22.690 30.428 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.447 -22.302 26.564 1.00 25.00 N ATOM 1375 CA LYS A 96 -0.710 -21.336 25.700 1.00 25.00 C ATOM 1376 C LYS A 96 -1.693 -20.575 24.805 1.00 25.00 C ATOM 1377 O LYS A 96 -1.364 -19.557 24.230 1.00 25.00 O ATOM 1378 CB LYS A 96 0.229 -22.199 24.855 1.00 25.00 C ATOM 1379 CG LYS A 96 1.669 -22.015 25.338 1.00 25.00 C ATOM 1380 CD LYS A 96 1.931 -22.944 26.526 1.00 25.00 C ATOM 1381 CE LYS A 96 3.367 -22.747 27.019 1.00 25.00 C ATOM 1382 NZ LYS A 96 4.112 -23.932 26.510 1.00 25.00 N ATOM 0 H LYS A 96 -1.810 -23.125 26.083 1.00 25.00 H new ATOM 0 HA LYS A 96 -0.166 -20.591 26.280 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.059 -23.248 24.929 1.00 25.00 H new ATOM 0 HB3 LYS A 96 0.149 -21.920 23.804 1.00 25.00 H new ATOM 0 HG2 LYS A 96 2.366 -22.235 24.530 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.837 -20.978 25.629 1.00 25.00 H new ATOM 0 HD2 LYS A 96 1.226 -22.732 27.330 1.00 25.00 H new ATOM 0 HD3 LYS A 96 1.775 -23.982 26.231 1.00 25.00 H new ATOM 0 HE2 LYS A 96 3.792 -21.819 26.637 1.00 25.00 H new ATOM 0 HE3 LYS A 96 3.407 -22.692 28.107 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 5.107 -23.870 26.807 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 3.689 -24.800 26.896 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 4.062 -23.954 25.471 1.00 25.00 H new ATOM 1396 N ASP A 97 -2.899 -21.063 24.686 1.00 10.00 N ATOM 1397 CA ASP A 97 -3.906 -20.367 23.828 1.00 10.00 C ATOM 1398 C ASP A 97 -3.368 -20.227 22.406 1.00 10.00 C ATOM 1399 O ASP A 97 -3.797 -19.377 21.652 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.105 -18.975 24.445 1.00 50.00 C ATOM 1401 CG ASP A 97 -3.867 -19.018 25.959 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -4.372 -19.930 26.592 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -3.181 -18.139 26.456 1.00 50.00 O ATOM 0 H ASP A 97 -3.231 -21.912 25.144 1.00 10.00 H new ATOM 0 HA ASP A 97 -4.842 -20.923 23.782 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -3.419 -18.265 23.983 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -5.115 -18.621 24.240 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.424 -21.042 22.035 1.00 10.00 N ATOM 1409 CA VAL A 98 -1.854 -20.933 20.665 1.00 10.00 C ATOM 1410 C VAL A 98 -2.698 -21.714 19.661 1.00 10.00 C ATOM 1411 O VAL A 98 -3.466 -22.587 20.015 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.450 -21.530 20.770 1.00 50.00 C ATOM 1413 CG1 VAL A 98 0.200 -21.559 19.385 1.00 50.00 C ATOM 1414 CG2 VAL A 98 0.399 -20.676 21.713 1.00 50.00 C ATOM 0 H VAL A 98 -2.023 -21.777 22.618 1.00 10.00 H new ATOM 0 HA VAL A 98 -1.835 -19.901 20.314 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.517 -22.546 21.160 1.00 50.00 H new ATOM 0 HG11 VAL A 98 1.201 -21.985 19.461 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.403 -22.169 18.713 1.00 50.00 H new ATOM 0 HG13 VAL A 98 0.267 -20.544 18.993 1.00 50.00 H new ATOM 0 HG21 VAL A 98 1.400 -21.102 21.788 1.00 50.00 H new ATOM 0 HG22 VAL A 98 0.465 -19.660 21.324 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.062 -20.657 22.701 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.555 -21.401 18.404 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.337 -22.110 17.357 1.00 10.00 C ATOM 1426 C ARG A 99 -2.773 -21.769 15.976 1.00 10.00 C ATOM 1427 O ARG A 99 -1.930 -20.906 15.838 1.00 10.00 O ATOM 1428 CB ARG A 99 -4.764 -21.582 17.504 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.685 -22.727 17.928 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.178 -23.470 16.685 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.238 -24.391 17.188 1.00 50.00 N ATOM 1432 CZ ARG A 99 -6.930 -25.343 18.026 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -5.705 -25.788 18.088 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -7.849 -25.851 18.800 1.00 50.00 N ATOM 0 H ARG A 99 -1.925 -20.679 18.056 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.297 -23.194 17.463 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -4.794 -20.783 18.244 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.105 -21.156 16.561 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -5.152 -23.412 18.587 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -6.532 -22.337 18.492 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -6.575 -22.778 15.942 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -5.369 -24.022 16.207 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.203 -24.277 16.877 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -4.987 -25.392 17.481 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -5.465 -26.532 18.743 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -8.807 -25.504 18.750 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -7.610 -26.595 19.455 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.225 -22.440 14.956 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.704 -22.150 13.590 1.00 10.00 C ATOM 1450 C LEU A 100 -3.705 -21.294 12.809 1.00 10.00 C ATOM 1451 O LEU A 100 -4.750 -21.759 12.399 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.531 -23.522 12.939 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.514 -24.333 13.747 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -1.267 -25.676 13.061 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -0.200 -23.556 13.832 1.00 10.00 C ATOM 0 H LEU A 100 -3.931 -23.175 15.007 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.769 -21.590 13.610 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -3.487 -24.045 12.904 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.191 -23.410 11.910 1.00 10.00 H new ATOM 0 HG LEU A 100 -1.903 -24.506 14.750 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.543 -26.251 13.638 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -2.204 -26.230 12.998 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -0.878 -25.506 12.057 1.00 10.00 H new ATOM 0 HD21 LEU A 100 0.526 -24.131 14.407 1.00 10.00 H new ATOM 0 HD22 LEU A 100 0.187 -23.384 12.827 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.375 -22.598 14.322 1.00 10.00 H new ATOM 1467 N THR A 101 -3.392 -20.043 12.608 1.00 10.00 N ATOM 1468 CA THR A 101 -4.321 -19.149 11.860 1.00 10.00 C ATOM 1469 C THR A 101 -4.230 -19.419 10.355 1.00 10.00 C ATOM 1470 O THR A 101 -5.130 -19.100 9.604 1.00 10.00 O ATOM 1471 CB THR A 101 -3.844 -17.732 12.182 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.543 -17.539 11.644 1.00 10.00 O ATOM 1473 CG2 THR A 101 -3.804 -17.538 13.699 1.00 10.00 C ATOM 0 H THR A 101 -2.531 -19.601 12.930 1.00 10.00 H new ATOM 0 HA THR A 101 -5.362 -19.306 12.143 1.00 10.00 H new ATOM 0 HB THR A 101 -4.531 -17.008 11.743 1.00 10.00 H new ATOM 0 HG1 THR A 101 -2.236 -16.631 11.848 1.00 10.00 H new ATOM 0 HG21 THR A 101 -3.464 -16.528 13.928 1.00 10.00 H new ATOM 0 HG22 THR A 101 -4.802 -17.687 14.111 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.118 -18.261 14.140 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.152 -20.004 9.909 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.013 -20.293 8.453 1.00 10.00 C ATOM 1483 C CYS A 102 -3.905 -21.474 8.066 1.00 10.00 C ATOM 1484 O CYS A 102 -4.431 -21.536 6.973 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.536 -20.641 8.252 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.161 -22.212 9.072 1.00 10.00 S ATOM 0 H CYS A 102 -2.364 -20.294 10.488 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.315 -19.449 7.833 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.311 -20.712 7.188 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.907 -19.849 8.658 1.00 10.00 H new ATOM 0 HG CYS A 102 -0.540 -22.997 8.242 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.079 -22.411 8.958 1.00 10.00 N ATOM 1492 CA ILE A 103 -4.939 -23.587 8.644 1.00 10.00 C ATOM 1493 C ILE A 103 -6.001 -23.769 9.734 1.00 10.00 C ATOM 1494 O ILE A 103 -6.430 -24.869 10.018 1.00 10.00 O ATOM 1495 CB ILE A 103 -3.985 -24.781 8.624 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.323 -24.930 9.995 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -2.908 -24.554 7.561 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -3.732 -26.267 10.616 1.00 50.00 C ATOM 0 H ILE A 103 -3.663 -22.413 9.889 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.468 -23.472 7.698 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.543 -25.688 8.390 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.239 -24.880 9.895 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -3.621 -24.108 10.646 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.227 -25.405 7.546 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.378 -24.448 6.583 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.351 -23.647 7.796 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.261 -26.374 11.593 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -4.816 -26.299 10.731 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.412 -27.082 9.968 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.427 -22.698 10.347 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.458 -22.812 11.416 1.00 10.00 C ATOM 1512 C GLY A 104 -8.658 -21.928 11.068 1.00 10.00 C ATOM 1513 O GLY A 104 -8.521 -20.899 10.436 1.00 10.00 O ATOM 0 H GLY A 104 -6.105 -21.750 10.153 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.776 -23.850 11.520 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.037 -22.510 12.375 1.00 10.00 H new ATOM 1517 N SER A 105 -9.833 -22.322 11.475 1.00 10.00 N ATOM 1518 CA SER A 105 -11.042 -21.505 11.168 1.00 10.00 C ATOM 1519 C SER A 105 -11.790 -21.160 12.461 1.00 10.00 C ATOM 1520 O SER A 105 -11.457 -21.653 13.520 1.00 10.00 O ATOM 1521 CB SER A 105 -11.902 -22.397 10.271 1.00 10.00 C ATOM 1522 OG SER A 105 -12.115 -21.748 9.026 1.00 10.00 O ATOM 0 H SER A 105 -10.009 -23.174 12.007 1.00 10.00 H new ATOM 0 HA SER A 105 -10.792 -20.560 10.685 1.00 10.00 H new ATOM 0 HB2 SER A 105 -11.409 -23.357 10.114 1.00 10.00 H new ATOM 0 HB3 SER A 105 -12.857 -22.604 10.754 1.00 10.00 H new ATOM 0 HG SER A 105 -11.780 -20.828 9.075 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.780 -20.321 12.327 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.587 -19.901 13.498 1.00 10.00 C ATOM 1530 C PRO A 106 -14.530 -21.031 13.927 1.00 10.00 C ATOM 1531 O PRO A 106 -15.024 -21.783 13.110 1.00 10.00 O ATOM 1532 CB PRO A 106 -14.375 -18.704 12.979 1.00 10.00 C ATOM 1533 CG PRO A 106 -14.452 -18.901 11.497 1.00 10.00 C ATOM 1534 CD PRO A 106 -13.232 -19.686 11.085 1.00 10.00 C ATOM 0 HA PRO A 106 -12.983 -19.659 14.372 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -15.369 -18.664 13.424 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -13.877 -17.767 13.227 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -15.362 -19.436 11.227 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -14.483 -17.940 10.983 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -13.473 -20.427 10.323 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -12.463 -19.037 10.666 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.781 -21.157 15.202 1.00 10.00 N ATOM 1543 CA ALA A 107 -15.689 -22.241 15.677 1.00 10.00 C ATOM 1544 C ALA A 107 -16.804 -21.663 16.555 1.00 10.00 C ATOM 1545 O ALA A 107 -17.734 -22.351 16.924 1.00 10.00 O ATOM 1546 CB ALA A 107 -14.796 -23.173 16.497 1.00 50.00 C ATOM 0 H ALA A 107 -14.398 -20.558 15.934 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.175 -22.758 14.850 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -15.391 -24.000 16.884 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -13.999 -23.564 15.864 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -14.360 -22.620 17.329 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.718 -20.405 16.893 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.775 -19.791 17.749 1.00 10.00 C ATOM 1554 C ALA A 108 -18.240 -18.461 17.150 1.00 10.00 C ATOM 1555 O ALA A 108 -17.571 -17.874 16.322 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.102 -19.564 19.104 1.00 50.00 C ATOM 0 H ALA A 108 -15.964 -19.777 16.615 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.658 -20.424 17.832 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.816 -19.113 19.794 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -16.762 -20.519 19.506 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.248 -18.898 18.979 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.382 -17.981 17.564 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.891 -16.688 17.021 1.00 50.00 C ATOM 1564 C ASP A 109 -18.937 -15.550 17.394 1.00 50.00 C ATOM 1565 O ASP A 109 -18.630 -14.694 16.588 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.255 -16.489 17.685 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.060 -16.207 19.176 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -20.751 -15.074 19.509 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -21.221 -17.127 19.960 1.00 50.00 O ATOM 0 H ASP A 109 -19.985 -18.428 18.255 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.967 -16.695 15.934 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.784 -15.661 17.213 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -21.871 -17.378 17.550 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.464 -15.538 18.610 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.525 -14.462 19.040 1.00 10.00 C ATOM 1576 C GLU A 110 -16.292 -15.084 19.701 1.00 10.00 C ATOM 1577 O GLU A 110 -16.402 -15.851 20.637 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.312 -13.627 20.050 1.00 10.00 C ATOM 1579 CG GLU A 110 -19.004 -12.471 19.327 1.00 10.00 C ATOM 1580 CD GLU A 110 -20.153 -11.943 20.188 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -19.872 -11.333 21.206 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -21.295 -12.159 19.815 1.00 50.00 O ATOM 0 H GLU A 110 -18.688 -16.229 19.327 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.173 -13.858 18.204 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -19.051 -14.249 20.555 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.643 -13.241 20.819 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -18.289 -11.673 19.128 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -19.384 -12.807 18.362 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.122 -14.772 19.217 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.892 -15.362 19.819 1.00 10.00 C ATOM 1591 C VAL A 111 -12.810 -14.294 19.998 1.00 10.00 C ATOM 1592 O VAL A 111 -12.766 -13.310 19.284 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.435 -16.422 18.816 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.275 -17.225 19.410 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.599 -17.363 18.501 1.00 12.50 C ATOM 0 H VAL A 111 -14.964 -14.137 18.434 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.081 -15.781 20.807 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.105 -15.933 17.899 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -11.951 -17.980 18.694 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.445 -16.555 19.632 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.603 -17.713 20.328 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.273 -18.118 17.786 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -14.931 -17.850 19.418 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.424 -16.792 18.074 1.00 12.50 H new ATOM 1605 N LYS A 112 -11.932 -14.489 20.941 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.840 -13.501 21.170 1.00 10.00 C ATOM 1607 C LYS A 112 -9.485 -14.181 20.956 1.00 10.00 C ATOM 1608 O LYS A 112 -9.265 -15.292 21.394 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.001 -13.059 22.627 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.465 -12.700 22.895 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.549 -11.276 23.452 1.00 25.00 C ATOM 1612 CE LYS A 112 -13.929 -11.051 24.072 1.00 25.00 C ATOM 1613 NZ LYS A 112 -14.397 -9.756 23.502 1.00 25.00 N ATOM 0 H LYS A 112 -11.923 -15.294 21.567 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.889 -12.652 20.488 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -10.683 -13.858 23.297 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.362 -12.199 22.830 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -13.043 -12.776 21.974 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -12.899 -13.405 23.604 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.772 -11.121 24.201 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -12.374 -10.552 22.656 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -14.612 -11.863 23.822 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -13.871 -11.007 25.160 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -15.339 -9.531 23.880 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -13.730 -9.001 23.762 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -14.448 -9.831 22.466 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.579 -13.533 20.280 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.246 -14.156 20.036 1.00 10.00 C ATOM 1629 C ILE A 113 -6.205 -13.092 19.683 1.00 10.00 C ATOM 1630 O ILE A 113 -6.517 -12.062 19.120 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.464 -15.106 18.858 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.112 -15.618 18.357 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.180 -14.366 17.728 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.286 -17.012 17.752 1.00 10.00 C ATOM 0 H ILE A 113 -8.702 -12.600 19.886 1.00 10.00 H new ATOM 0 HA ILE A 113 -6.871 -14.674 20.919 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.074 -15.949 19.182 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.706 -14.934 17.611 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.397 -15.654 19.179 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.335 -15.045 16.889 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -9.144 -14.004 18.084 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.572 -13.521 17.404 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.323 -17.377 17.395 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.673 -17.692 18.511 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.986 -16.962 16.918 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.967 -13.343 20.008 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.894 -12.360 19.692 1.00 10.00 C ATOM 1648 C VAL A 114 -3.107 -12.835 18.461 1.00 10.00 C ATOM 1649 O VAL A 114 -2.716 -13.983 18.370 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.020 -12.326 20.963 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.529 -12.403 20.614 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.286 -11.025 21.723 1.00 50.00 C ATOM 0 H VAL A 114 -4.652 -14.190 20.481 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.270 -11.367 19.446 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.277 -13.188 21.578 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -0.939 -12.377 21.530 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.328 -13.331 20.079 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -1.259 -11.556 19.984 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -2.670 -10.997 22.622 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -3.039 -10.175 21.087 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.338 -10.975 22.002 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.875 -11.966 17.514 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.119 -12.381 16.296 1.00 10.00 C ATOM 1664 C TYR A 115 -0.628 -12.048 16.453 1.00 10.00 C ATOM 1665 O TYR A 115 -0.246 -11.239 17.274 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.764 -11.595 15.136 1.00 50.00 C ATOM 1667 CG TYR A 115 -2.003 -10.316 14.850 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.897 -9.321 15.833 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.396 -10.128 13.600 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -1.191 -8.144 15.566 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.688 -8.949 13.335 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.584 -7.957 14.318 1.00 50.00 C ATOM 1673 OH TYR A 115 0.114 -6.797 14.056 1.00 50.00 O ATOM 0 H TYR A 115 -3.174 -10.991 17.530 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.168 -13.455 16.118 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.786 -12.216 14.240 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.798 -11.358 15.385 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.361 -9.464 16.797 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.474 -10.893 12.841 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -1.114 -7.378 16.323 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -0.222 -8.805 12.372 1.00 50.00 H new ATOM 0 HH TYR A 115 0.418 -6.801 13.124 1.00 50.00 H new ATOM 1683 N ASN A 116 0.212 -12.673 15.666 1.00 10.00 N ATOM 1684 CA ASN A 116 1.682 -12.407 15.752 1.00 10.00 C ATOM 1685 C ASN A 116 2.276 -13.062 17.002 1.00 10.00 C ATOM 1686 O ASN A 116 2.905 -12.413 17.813 1.00 10.00 O ATOM 1687 CB ASN A 116 1.824 -10.883 15.826 1.00 10.00 C ATOM 1688 CG ASN A 116 2.884 -10.420 14.824 1.00 10.00 C ATOM 1689 OD1 ASN A 116 4.000 -11.089 14.717 1.00 10.00 O flip ATOM 1690 ND2 ASN A 116 2.694 -9.441 14.130 1.00 10.00 N flip ATOM 0 H ASN A 116 -0.059 -13.361 14.963 1.00 10.00 H new ATOM 0 HA ASN A 116 2.215 -12.820 14.895 1.00 10.00 H new ATOM 0 HB2 ASN A 116 0.868 -10.407 15.607 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.106 -10.582 16.835 1.00 10.00 H new ATOM 0 HD21 ASN A 116 1.822 -8.918 14.213 1.00 10.00 H new ATOM 0 HD22 ASN A 116 3.406 -9.142 13.464 1.00 10.00 H new ATOM 1697 N ALA A 117 2.088 -14.345 17.163 1.00 10.00 N ATOM 1698 CA ALA A 117 2.655 -15.033 18.362 1.00 10.00 C ATOM 1699 C ALA A 117 4.151 -15.287 18.166 1.00 10.00 C ATOM 1700 O ALA A 117 4.906 -15.368 19.115 1.00 10.00 O ATOM 1701 CB ALA A 117 1.897 -16.356 18.465 1.00 50.00 C ATOM 0 H ALA A 117 1.570 -14.944 16.521 1.00 10.00 H new ATOM 0 HA ALA A 117 2.548 -14.434 19.267 1.00 10.00 H new ATOM 0 HB1 ALA A 117 2.261 -16.918 19.325 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.832 -16.157 18.585 1.00 50.00 H new ATOM 0 HB3 ALA A 117 2.057 -16.939 17.558 1.00 50.00 H new ATOM 1732 N HIS A 119 6.339 -13.609 17.951 1.00 50.00 N ATOM 1733 CA HIS A 119 7.104 -12.667 18.814 1.00 50.00 C ATOM 1734 C HIS A 119 7.524 -13.372 20.105 1.00 50.00 C ATOM 1735 O HIS A 119 8.555 -13.080 20.677 1.00 50.00 O ATOM 1736 CB HIS A 119 6.130 -11.528 19.117 1.00 50.00 C ATOM 1737 CG HIS A 119 6.047 -10.607 17.931 1.00 50.00 C ATOM 1738 ND1 HIS A 119 5.022 -10.315 17.065 1.00 50.00 N flip ATOM 1739 CD2 HIS A 119 7.124 -9.840 17.514 1.00 50.00 C flip ATOM 1740 CE1 HIS A 119 5.454 -9.383 16.125 1.00 50.00 C flip ATOM 1741 NE2 HIS A 119 6.727 -9.132 16.441 1.00 50.00 N flip ATOM 0 HA HIS A 119 8.013 -12.305 18.334 1.00 50.00 H new ATOM 0 HB2 HIS A 119 5.144 -11.931 19.347 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.462 -10.976 19.996 1.00 50.00 H new ATOM 0 HD2 HIS A 119 8.104 -9.815 17.968 1.00 50.00 H new ATOM 0 HE1 HIS A 119 4.882 -8.955 15.315 1.00 50.00 H new ATOM 0 HE2 HIS A 119 7.326 -8.482 15.931 1.00 50.00 H new ATOM 1749 N LEU A 120 6.729 -14.299 20.566 1.00 12.50 N ATOM 1750 CA LEU A 120 7.073 -15.029 21.820 1.00 12.50 C ATOM 1751 C LEU A 120 8.569 -15.355 21.858 1.00 12.50 C ATOM 1752 O LEU A 120 9.067 -16.120 21.056 1.00 12.50 O ATOM 1753 CB LEU A 120 6.251 -16.316 21.766 1.00 12.50 C ATOM 1754 CG LEU A 120 5.179 -16.284 22.856 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.923 -16.998 22.355 1.00 12.50 C ATOM 1756 CD2 LEU A 120 5.704 -16.991 24.107 1.00 12.50 C ATOM 0 H LEU A 120 5.853 -14.583 20.127 1.00 12.50 H new ATOM 0 HA LEU A 120 6.856 -14.438 22.710 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.785 -16.421 20.786 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.900 -17.181 21.905 1.00 12.50 H new ATOM 0 HG LEU A 120 4.936 -15.249 23.099 1.00 12.50 H new ATOM 0 HD11 LEU A 120 3.158 -16.976 23.131 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.550 -16.495 21.463 1.00 12.50 H new ATOM 0 HD13 LEU A 120 4.165 -18.033 22.113 1.00 12.50 H new ATOM 0 HD21 LEU A 120 4.941 -16.969 24.885 1.00 12.50 H new ATOM 0 HD22 LEU A 120 5.946 -18.026 23.865 1.00 12.50 H new ATOM 0 HD23 LEU A 120 6.600 -16.483 24.463 1.00 12.50 H new