USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 859 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 50 CYS SG : rot 95:sc= -0.503! USER MOD Set 1.2: A 127 THR OG1 : rot 161:sc= -3.91! USER MOD Set 2.1: A 90 GLN : amide:sc= -2.21! C(o=-1.3!,f=-5!) USER MOD Set 2.2: A 91 SER OG : rot 49:sc= 0.881 USER MOD Set 3.1: A 89 CYS SG : rot 141:sc= 0.668 USER MOD Set 3.2: A 95 SER OG : rot 139:sc= -0.878 USER MOD Set 4.1: A 58 MET CE :methyl 146:sc= -1.59 (180deg=-3.94!) USER MOD Set 4.2: A 66 SER OG : rot 180:sc= -0.239 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= -0.907 USER MOD Set 5.2: A 23 THR OG1 : rot -94:sc= -0.707 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 150:sc= -0.567 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-0.77) USER MOD Single : A 33 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.26) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 THR OG1 : rot 24:sc= -0.97! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.28) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.72 F(o=-4.1,f=-1.7) USER MOD Single : A 57 TYR OH : rot 180:sc= -1.09! USER MOD Single : A 59 ASN :FLIP amide:sc= -4.17! C(o=-4.9!,f=-4.2!) USER MOD Single : A 63 SER OG : rot -21:sc= 0.426! USER MOD Single : A 65 MET CE :methyl -154:sc= -0.291 (180deg=-1.4!) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= -0.258 (180deg=-1.11) USER MOD Single : A 68 ASN : amide:sc= -5.98! C(o=-6!,f=-7.6!) USER MOD Single : A 69 THR OG1 : rot -50:sc= -0.0956! USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -77:sc= 0.712 USER MOD Single : A 78 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-5!) USER MOD Single : A 81 GLN : amide:sc= -3.83 X(o=-3.8,f=-3.4!) USER MOD Single : A 82 SER OG : rot 90:sc= -0.132 USER MOD Single : A 84 ASN : amide:sc=-0.000912 X(o=-0.00091,f=-0.051) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 83:sc= -0.93! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 104 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-1.3) USER MOD Single : A 108 THR OG1 : rot 159:sc= -6.07! USER MOD Single : A 111 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.12) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 151:sc= -1.97! (180deg=-2.72!) USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 128 LYS NZ :NH3+ -163:sc= -0.0029 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 11 -15.024 16.920 9.724 1.00 0.00 N ATOM 2 CA ALA A 11 -13.818 16.668 8.899 1.00 0.00 C ATOM 3 C ALA A 11 -13.278 15.286 9.213 1.00 0.00 C ATOM 4 O ALA A 11 -12.304 15.119 9.906 1.00 0.00 O ATOM 5 CB ALA A 11 -12.731 17.775 9.240 1.00 0.00 C ATOM 0 HA ALA A 11 -14.064 16.716 7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.837 17.604 8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.134 18.762 9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.475 17.720 10.298 1.00 0.00 H new ATOM 11 N GLU A 12 -13.906 14.302 8.681 1.00 0.00 N ATOM 12 CA GLU A 12 -13.450 12.909 8.900 1.00 0.00 C ATOM 13 C GLU A 12 -12.778 12.398 7.637 1.00 0.00 C ATOM 14 O GLU A 12 -13.140 12.739 6.536 1.00 0.00 O ATOM 15 CB GLU A 12 -14.634 12.012 9.274 1.00 0.00 C ATOM 16 CG GLU A 12 -15.266 12.463 10.594 1.00 0.00 C ATOM 17 CD GLU A 12 -14.254 12.277 11.732 1.00 0.00 C ATOM 18 OE1 GLU A 12 -13.311 11.533 11.547 1.00 0.00 O ATOM 19 OE2 GLU A 12 -14.439 12.882 12.769 1.00 0.00 O ATOM 0 H GLU A 12 -14.733 14.396 8.091 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.735 12.889 9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.381 12.039 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.299 10.978 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.567 13.508 10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.167 11.884 10.795 1.00 0.00 H new ATOM 26 N GLU A 13 -11.781 11.594 7.793 1.00 0.00 N ATOM 27 CA GLU A 13 -11.049 11.069 6.606 1.00 0.00 C ATOM 28 C GLU A 13 -10.546 9.657 6.896 1.00 0.00 C ATOM 29 O GLU A 13 -9.592 9.184 6.327 1.00 0.00 O ATOM 30 CB GLU A 13 -9.853 11.983 6.294 1.00 0.00 C ATOM 31 CG GLU A 13 -10.354 13.367 5.868 1.00 0.00 C ATOM 32 CD GLU A 13 -9.171 14.250 5.452 1.00 0.00 C ATOM 33 OE1 GLU A 13 -8.048 13.825 5.633 1.00 0.00 O ATOM 34 OE2 GLU A 13 -9.409 15.341 4.972 1.00 0.00 O ATOM 0 H GLU A 13 -11.432 11.270 8.695 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.723 11.045 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.213 12.072 7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.247 11.546 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.054 13.269 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.896 13.835 6.690 1.00 0.00 H new ATOM 41 N SER A 14 -11.195 8.989 7.784 1.00 0.00 N ATOM 42 CA SER A 14 -10.785 7.603 8.167 1.00 0.00 C ATOM 43 C SER A 14 -11.393 6.642 7.146 1.00 0.00 C ATOM 44 O SER A 14 -11.247 5.447 7.230 1.00 0.00 O ATOM 45 CB SER A 14 -11.273 7.274 9.579 1.00 0.00 C ATOM 46 OG SER A 14 -12.663 6.986 9.529 1.00 0.00 O ATOM 0 H SER A 14 -12.014 9.341 8.280 1.00 0.00 H new ATOM 0 HA SER A 14 -9.699 7.512 8.168 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.725 6.420 9.978 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.086 8.114 10.248 1.00 0.00 H new ATOM 0 HG SER A 14 -12.985 6.772 10.429 1.00 0.00 H new ATOM 52 N ARG A 15 -12.097 7.174 6.190 1.00 0.00 N ATOM 53 CA ARG A 15 -12.730 6.319 5.133 1.00 0.00 C ATOM 54 C ARG A 15 -12.590 6.992 3.776 1.00 0.00 C ATOM 55 O ARG A 15 -13.325 7.882 3.421 1.00 0.00 O ATOM 56 CB ARG A 15 -14.210 6.076 5.435 1.00 0.00 C ATOM 57 CG ARG A 15 -14.301 5.291 6.727 1.00 0.00 C ATOM 58 CD ARG A 15 -15.716 4.907 7.072 1.00 0.00 C ATOM 59 NE ARG A 15 -15.758 4.286 8.481 1.00 0.00 N ATOM 60 CZ ARG A 15 -16.905 4.490 9.089 1.00 0.00 C ATOM 61 NH1 ARG A 15 -17.010 5.681 9.291 1.00 0.00 N ATOM 62 NH2 ARG A 15 -16.752 3.770 10.099 1.00 0.00 N ATOM 0 H ARG A 15 -12.267 8.175 6.089 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.219 5.356 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -14.741 7.024 5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.680 5.525 4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.694 4.390 6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -13.881 5.885 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -16.361 5.785 7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -16.099 4.196 6.340 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.981 3.773 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.269 6.316 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.839 6.048 9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.887 3.245 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.493 3.707 10.798 1.00 0.00 H new ATOM 76 N VAL A 16 -11.634 6.570 3.018 1.00 0.00 N ATOM 77 CA VAL A 16 -11.419 7.179 1.678 1.00 0.00 C ATOM 78 C VAL A 16 -10.903 6.108 0.725 1.00 0.00 C ATOM 79 O VAL A 16 -9.756 5.730 0.772 1.00 0.00 O ATOM 80 CB VAL A 16 -10.402 8.307 1.816 1.00 0.00 C ATOM 81 CG1 VAL A 16 -10.388 9.194 0.498 1.00 0.00 C ATOM 82 CG2 VAL A 16 -10.845 9.236 3.031 1.00 0.00 C ATOM 0 H VAL A 16 -10.983 5.824 3.264 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.351 7.582 1.282 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.412 7.882 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.658 9.996 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.119 8.572 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.377 9.622 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.129 10.050 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.834 9.648 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.875 8.647 3.947 1.00 0.00 H new ATOM 92 N PRO A 17 -11.758 5.595 -0.105 1.00 0.00 N ATOM 93 CA PRO A 17 -11.360 4.592 -1.115 1.00 0.00 C ATOM 94 C PRO A 17 -10.908 5.252 -2.403 1.00 0.00 C ATOM 95 O PRO A 17 -11.588 6.057 -3.002 1.00 0.00 O ATOM 96 CB PRO A 17 -12.627 3.736 -1.297 1.00 0.00 C ATOM 97 CG PRO A 17 -13.791 4.580 -0.886 1.00 0.00 C ATOM 98 CD PRO A 17 -13.251 5.827 -0.172 1.00 0.00 C ATOM 0 HA PRO A 17 -10.504 3.991 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.730 3.416 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.572 2.833 -0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.380 4.866 -1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.452 4.020 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.489 6.737 -0.723 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.683 5.935 0.823 1.00 0.00 H new ATOM 106 N SER A 18 -9.722 4.925 -2.821 1.00 0.00 N ATOM 107 CA SER A 18 -9.165 5.516 -4.072 1.00 0.00 C ATOM 108 C SER A 18 -8.453 4.437 -4.876 1.00 0.00 C ATOM 109 O SER A 18 -7.962 3.466 -4.351 1.00 0.00 O ATOM 110 CB SER A 18 -8.174 6.633 -3.729 1.00 0.00 C ATOM 111 OG SER A 18 -6.967 6.067 -3.250 1.00 0.00 O ATOM 0 H SER A 18 -9.105 4.266 -2.346 1.00 0.00 H new ATOM 0 HA SER A 18 -9.983 5.931 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.977 7.242 -4.611 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.602 7.294 -2.975 1.00 0.00 H new ATOM 0 HG SER A 18 -6.217 6.655 -3.478 1.00 0.00 H new ATOM 117 N SER A 19 -8.408 4.604 -6.154 1.00 0.00 N ATOM 118 CA SER A 19 -7.722 3.606 -7.028 1.00 0.00 C ATOM 119 C SER A 19 -6.531 4.256 -7.706 1.00 0.00 C ATOM 120 O SER A 19 -6.527 5.415 -8.047 1.00 0.00 O ATOM 121 CB SER A 19 -8.705 3.106 -8.088 1.00 0.00 C ATOM 122 OG SER A 19 -9.856 2.559 -7.466 1.00 0.00 O ATOM 0 H SER A 19 -8.819 5.396 -6.648 1.00 0.00 H new ATOM 0 HA SER A 19 -7.377 2.767 -6.424 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.993 3.927 -8.745 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.226 2.352 -8.712 1.00 0.00 H new ATOM 0 HG SER A 19 -10.480 2.243 -8.153 1.00 0.00 H new ATOM 128 N VAL A 20 -5.499 3.510 -7.882 1.00 0.00 N ATOM 129 CA VAL A 20 -4.282 4.065 -8.508 1.00 0.00 C ATOM 130 C VAL A 20 -3.438 2.925 -9.075 1.00 0.00 C ATOM 131 O VAL A 20 -3.806 1.779 -9.025 1.00 0.00 O ATOM 132 CB VAL A 20 -3.518 4.859 -7.448 1.00 0.00 C ATOM 133 CG1 VAL A 20 -4.268 4.807 -6.042 1.00 0.00 C ATOM 134 CG2 VAL A 20 -2.083 4.218 -7.246 1.00 0.00 C ATOM 0 H VAL A 20 -5.441 2.527 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.534 4.731 -9.333 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.448 5.892 -7.789 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.703 5.380 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.266 5.234 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.349 3.772 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.536 4.782 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.189 3.183 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.536 4.247 -8.188 1.00 0.00 H new ATOM 144 N SER A 21 -2.316 3.231 -9.648 1.00 0.00 N ATOM 145 CA SER A 21 -1.449 2.152 -10.223 1.00 0.00 C ATOM 146 C SER A 21 -0.138 2.101 -9.463 1.00 0.00 C ATOM 147 O SER A 21 0.359 3.090 -8.976 1.00 0.00 O ATOM 148 CB SER A 21 -1.174 2.446 -11.703 1.00 0.00 C ATOM 149 OG SER A 21 -0.756 3.799 -11.841 1.00 0.00 O ATOM 0 H SER A 21 -1.953 4.179 -9.748 1.00 0.00 H new ATOM 0 HA SER A 21 -1.958 1.192 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.404 1.774 -12.083 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.072 2.268 -12.295 1.00 0.00 H new ATOM 0 HG SER A 21 -0.577 3.991 -12.785 1.00 0.00 H new ATOM 155 N VAL A 22 0.417 0.961 -9.357 1.00 0.00 N ATOM 156 CA VAL A 22 1.690 0.812 -8.620 1.00 0.00 C ATOM 157 C VAL A 22 2.651 1.903 -9.081 1.00 0.00 C ATOM 158 O VAL A 22 3.573 2.289 -8.386 1.00 0.00 O ATOM 159 CB VAL A 22 2.242 -0.584 -8.924 1.00 0.00 C ATOM 160 CG1 VAL A 22 2.748 -0.655 -10.434 1.00 0.00 C ATOM 161 CG2 VAL A 22 3.464 -0.892 -7.973 1.00 0.00 C ATOM 0 H VAL A 22 0.046 0.098 -9.754 1.00 0.00 H new ATOM 0 HA VAL A 22 1.551 0.915 -7.544 1.00 0.00 H new ATOM 0 HB VAL A 22 1.448 -1.314 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.139 -1.651 -10.640 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.916 -0.445 -11.107 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.535 0.083 -10.589 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.854 -1.886 -8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.247 -0.151 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.136 -0.852 -6.934 1.00 0.00 H new ATOM 171 N THR A 23 2.419 2.445 -10.232 1.00 0.00 N ATOM 172 CA THR A 23 3.306 3.533 -10.742 1.00 0.00 C ATOM 173 C THR A 23 3.188 4.753 -9.820 1.00 0.00 C ATOM 174 O THR A 23 4.150 5.238 -9.286 1.00 0.00 O ATOM 175 CB THR A 23 2.876 3.944 -12.156 1.00 0.00 C ATOM 176 OG1 THR A 23 2.112 5.117 -12.055 1.00 0.00 O ATOM 177 CG2 THR A 23 1.974 2.800 -12.799 1.00 0.00 C ATOM 0 H THR A 23 1.651 2.186 -10.852 1.00 0.00 H new ATOM 0 HA THR A 23 4.334 3.171 -10.765 1.00 0.00 H new ATOM 0 HB THR A 23 3.755 4.103 -12.780 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.161 4.885 -12.012 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.671 3.097 -13.803 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.545 1.873 -12.851 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.088 2.646 -12.183 1.00 0.00 H new ATOM 185 N VAL A 24 2.002 5.253 -9.613 1.00 0.00 N ATOM 186 CA VAL A 24 1.856 6.443 -8.722 1.00 0.00 C ATOM 187 C VAL A 24 2.105 6.029 -7.283 1.00 0.00 C ATOM 188 O VAL A 24 2.750 6.706 -6.527 1.00 0.00 O ATOM 189 CB VAL A 24 0.438 7.028 -8.853 1.00 0.00 C ATOM 190 CG1 VAL A 24 0.503 8.597 -8.609 1.00 0.00 C ATOM 191 CG2 VAL A 24 -0.146 6.805 -10.329 1.00 0.00 C ATOM 0 H VAL A 24 1.135 4.896 -10.016 1.00 0.00 H new ATOM 0 HA VAL A 24 2.582 7.202 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.200 6.528 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.497 9.021 -8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.891 8.794 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.159 9.054 -9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.148 7.228 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.502 7.297 -11.055 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.189 5.738 -10.546 1.00 0.00 H new ATOM 201 N ALA A 25 1.618 4.900 -6.905 1.00 0.00 N ATOM 202 CA ALA A 25 1.834 4.425 -5.515 1.00 0.00 C ATOM 203 C ALA A 25 3.341 4.344 -5.262 1.00 0.00 C ATOM 204 O ALA A 25 3.818 4.595 -4.174 1.00 0.00 O ATOM 205 CB ALA A 25 1.206 2.968 -5.370 1.00 0.00 C ATOM 0 H ALA A 25 1.073 4.274 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 25 1.367 5.104 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.357 2.606 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.138 3.009 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.692 2.291 -6.072 1.00 0.00 H new ATOM 211 N HIS A 26 4.090 3.989 -6.254 1.00 0.00 N ATOM 212 CA HIS A 26 5.567 3.887 -6.078 1.00 0.00 C ATOM 213 C HIS A 26 6.063 5.208 -5.499 1.00 0.00 C ATOM 214 O HIS A 26 6.799 5.242 -4.542 1.00 0.00 O ATOM 215 CB HIS A 26 6.207 3.605 -7.450 1.00 0.00 C ATOM 216 CG HIS A 26 7.706 3.451 -7.340 1.00 0.00 C ATOM 217 ND1 HIS A 26 8.303 2.356 -6.726 1.00 0.00 N ATOM 218 CD2 HIS A 26 8.738 4.211 -7.830 1.00 0.00 C ATOM 219 CE1 HIS A 26 9.638 2.492 -6.871 1.00 0.00 C ATOM 220 NE2 HIS A 26 9.958 3.598 -7.532 1.00 0.00 N ATOM 0 H HIS A 26 3.748 3.762 -7.188 1.00 0.00 H new ATOM 0 HA HIS A 26 5.836 3.077 -5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.777 2.697 -7.874 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.973 4.419 -8.136 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.625 5.142 -8.365 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.361 1.784 -6.494 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.893 3.929 -7.771 1.00 0.00 H new ATOM 229 N ASP A 27 5.629 6.308 -6.050 1.00 0.00 N ATOM 230 CA ASP A 27 6.045 7.646 -5.499 1.00 0.00 C ATOM 231 C ASP A 27 5.688 7.696 -4.017 1.00 0.00 C ATOM 232 O ASP A 27 6.440 8.164 -3.193 1.00 0.00 O ATOM 233 CB ASP A 27 5.261 8.773 -6.189 1.00 0.00 C ATOM 234 CG ASP A 27 5.756 10.155 -5.751 1.00 0.00 C ATOM 235 OD1 ASP A 27 6.677 10.224 -4.964 1.00 0.00 O ATOM 236 OD2 ASP A 27 5.180 11.128 -6.200 1.00 0.00 O ATOM 0 H ASP A 27 5.005 6.347 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 27 7.115 7.774 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.360 8.676 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.201 8.675 -5.956 1.00 0.00 H new ATOM 241 N LEU A 28 4.525 7.233 -3.683 1.00 0.00 N ATOM 242 CA LEU A 28 4.084 7.251 -2.261 1.00 0.00 C ATOM 243 C LEU A 28 4.902 6.218 -1.483 1.00 0.00 C ATOM 244 O LEU A 28 5.290 6.431 -0.357 1.00 0.00 O ATOM 245 CB LEU A 28 2.583 6.925 -2.221 1.00 0.00 C ATOM 246 CG LEU A 28 1.746 8.173 -2.503 1.00 0.00 C ATOM 247 CD1 LEU A 28 1.951 8.584 -4.029 1.00 0.00 C ATOM 248 CD2 LEU A 28 0.192 7.826 -2.312 1.00 0.00 C ATOM 0 H LEU A 28 3.850 6.838 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 28 4.243 8.228 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.354 6.155 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.321 6.519 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 28 2.049 8.973 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.361 9.474 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.005 8.794 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.628 7.766 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.407 8.715 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.092 7.033 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.016 7.494 -1.289 1.00 0.00 H new ATOM 260 N LEU A 29 5.197 5.114 -2.101 1.00 0.00 N ATOM 261 CA LEU A 29 6.023 4.055 -1.439 1.00 0.00 C ATOM 262 C LEU A 29 7.361 4.700 -1.015 1.00 0.00 C ATOM 263 O LEU A 29 7.883 4.444 0.048 1.00 0.00 O ATOM 264 CB LEU A 29 6.271 2.922 -2.472 1.00 0.00 C ATOM 265 CG LEU A 29 6.902 1.666 -1.836 1.00 0.00 C ATOM 266 CD1 LEU A 29 5.828 0.878 -0.971 1.00 0.00 C ATOM 267 CD2 LEU A 29 7.469 0.684 -2.951 1.00 0.00 C ATOM 0 H LEU A 29 4.900 4.891 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 29 5.524 3.639 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.326 2.651 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.925 3.292 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 29 7.719 2.002 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.292 -0.005 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.454 1.525 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.000 0.572 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.908 -0.193 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.657 0.372 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.231 1.199 -3.536 1.00 0.00 H new ATOM 279 N LEU A 30 7.910 5.552 -1.836 1.00 0.00 N ATOM 280 CA LEU A 30 9.198 6.242 -1.483 1.00 0.00 C ATOM 281 C LEU A 30 8.930 7.112 -0.238 1.00 0.00 C ATOM 282 O LEU A 30 9.810 7.401 0.541 1.00 0.00 O ATOM 283 CB LEU A 30 9.638 7.143 -2.661 1.00 0.00 C ATOM 284 CG LEU A 30 10.396 6.351 -3.750 1.00 0.00 C ATOM 285 CD1 LEU A 30 9.460 5.296 -4.466 1.00 0.00 C ATOM 286 CD2 LEU A 30 10.978 7.330 -4.858 1.00 0.00 C ATOM 0 H LEU A 30 7.524 5.806 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 30 9.986 5.516 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.760 7.615 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.276 7.943 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 30 11.208 5.828 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.030 4.760 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.080 4.588 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.624 5.812 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.507 6.750 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.160 7.876 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.667 8.036 -4.394 1.00 0.00 H new ATOM 298 N ALA A 31 7.713 7.518 -0.045 1.00 0.00 N ATOM 299 CA ALA A 31 7.383 8.349 1.152 1.00 0.00 C ATOM 300 C ALA A 31 7.575 7.492 2.401 1.00 0.00 C ATOM 301 O ALA A 31 7.773 7.975 3.488 1.00 0.00 O ATOM 302 CB ALA A 31 5.867 8.828 1.056 1.00 0.00 C ATOM 0 H ALA A 31 6.927 7.313 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 31 8.031 9.224 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.621 9.435 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.729 9.420 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.212 7.958 1.024 1.00 0.00 H new ATOM 308 N GLY A 32 7.521 6.202 2.240 1.00 0.00 N ATOM 309 CA GLY A 32 7.710 5.276 3.399 1.00 0.00 C ATOM 310 C GLY A 32 6.363 4.985 4.052 1.00 0.00 C ATOM 311 O GLY A 32 6.208 5.075 5.249 1.00 0.00 O ATOM 0 H GLY A 32 7.352 5.740 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.170 4.347 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.388 5.722 4.126 1.00 0.00 H new ATOM 315 N HIS A 33 5.390 4.639 3.275 1.00 0.00 N ATOM 316 CA HIS A 33 4.048 4.330 3.847 1.00 0.00 C ATOM 317 C HIS A 33 3.798 2.823 3.783 1.00 0.00 C ATOM 318 O HIS A 33 4.291 2.132 2.921 1.00 0.00 O ATOM 319 CB HIS A 33 2.979 5.083 3.054 1.00 0.00 C ATOM 320 CG HIS A 33 3.078 6.565 3.320 1.00 0.00 C ATOM 321 ND1 HIS A 33 3.329 7.094 4.582 1.00 0.00 N ATOM 322 CD2 HIS A 33 2.993 7.638 2.475 1.00 0.00 C ATOM 323 CE1 HIS A 33 3.389 8.437 4.448 1.00 0.00 C ATOM 324 NE2 HIS A 33 3.192 8.821 3.191 1.00 0.00 N ATOM 0 H HIS A 33 5.458 4.554 2.261 1.00 0.00 H new ATOM 0 HA HIS A 33 4.007 4.646 4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.102 4.889 1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.989 4.722 3.331 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.801 7.579 1.414 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.575 9.118 5.265 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.187 9.774 2.827 1.00 0.00 H new ATOM 333 N ARG A 34 3.046 2.315 4.713 1.00 0.00 N ATOM 334 CA ARG A 34 2.744 0.846 4.752 1.00 0.00 C ATOM 335 C ARG A 34 2.066 0.424 3.457 1.00 0.00 C ATOM 336 O ARG A 34 1.167 1.060 2.959 1.00 0.00 O ATOM 337 CB ARG A 34 1.852 0.533 5.967 1.00 0.00 C ATOM 338 CG ARG A 34 2.599 0.874 7.332 1.00 0.00 C ATOM 339 CD ARG A 34 1.771 0.396 8.587 1.00 0.00 C ATOM 340 NE ARG A 34 0.255 0.910 8.672 1.00 0.00 N ATOM 341 CZ ARG A 34 -0.419 0.367 9.687 1.00 0.00 C ATOM 342 NH1 ARG A 34 -0.549 -0.832 9.523 1.00 0.00 N ATOM 343 NH2 ARG A 34 -1.480 1.037 9.674 1.00 0.00 N ATOM 0 H ARG A 34 2.617 2.857 5.463 1.00 0.00 H new ATOM 0 HA ARG A 34 3.673 0.284 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.928 1.108 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.573 -0.521 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.579 0.397 7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.768 1.949 7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.764 -0.694 8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.294 0.721 9.487 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.151 1.581 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.162 -1.278 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.045 -1.391 10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.609 1.774 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.213 0.845 10.357 1.00 0.00 H new ATOM 357 N TYR A 35 2.517 -0.650 2.899 1.00 0.00 N ATOM 358 CA TYR A 35 1.955 -1.146 1.610 1.00 0.00 C ATOM 359 C TYR A 35 1.219 -2.474 1.864 1.00 0.00 C ATOM 360 O TYR A 35 1.806 -3.468 2.210 1.00 0.00 O ATOM 361 CB TYR A 35 3.106 -1.385 0.637 1.00 0.00 C ATOM 362 CG TYR A 35 2.585 -1.602 -0.782 1.00 0.00 C ATOM 363 CD1 TYR A 35 2.177 -0.513 -1.575 1.00 0.00 C ATOM 364 CD2 TYR A 35 2.499 -2.908 -1.303 1.00 0.00 C ATOM 365 CE1 TYR A 35 1.671 -0.734 -2.861 1.00 0.00 C ATOM 366 CE2 TYR A 35 1.987 -3.123 -2.585 1.00 0.00 C ATOM 367 CZ TYR A 35 1.583 -2.037 -3.376 1.00 0.00 C ATOM 368 OH TYR A 35 1.073 -2.255 -4.643 1.00 0.00 O ATOM 0 H TYR A 35 3.268 -1.223 3.284 1.00 0.00 H new ATOM 0 HA TYR A 35 1.261 -0.416 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.784 -0.532 0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.681 -2.255 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.254 0.493 -1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.830 -3.747 -0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.346 0.103 -3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.902 -4.129 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 35 1.261 -1.478 -5.210 1.00 0.00 H new ATOM 378 N LEU A 36 -0.066 -2.490 1.702 1.00 0.00 N ATOM 379 CA LEU A 36 -0.844 -3.749 1.914 1.00 0.00 C ATOM 380 C LEU A 36 -1.108 -4.395 0.549 1.00 0.00 C ATOM 381 O LEU A 36 -1.530 -3.760 -0.391 1.00 0.00 O ATOM 382 CB LEU A 36 -2.157 -3.361 2.626 1.00 0.00 C ATOM 383 CG LEU A 36 -2.851 -4.570 3.279 1.00 0.00 C ATOM 384 CD1 LEU A 36 -2.452 -5.889 2.487 1.00 0.00 C ATOM 385 CD2 LEU A 36 -2.376 -4.731 4.792 1.00 0.00 C ATOM 0 H LEU A 36 -0.624 -1.681 1.429 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.304 -4.471 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.946 -2.612 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.835 -2.901 1.907 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.929 -4.413 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.940 -6.750 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.771 -5.800 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.371 -6.023 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.875 -5.590 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.297 -4.883 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.631 -3.831 5.351 1.00 0.00 H new ATOM 397 N ASP A 37 -0.830 -5.646 0.435 1.00 0.00 N ATOM 398 CA ASP A 37 -1.033 -6.364 -0.860 1.00 0.00 C ATOM 399 C ASP A 37 -1.628 -7.732 -0.553 1.00 0.00 C ATOM 400 O ASP A 37 -1.261 -8.380 0.393 1.00 0.00 O ATOM 401 CB ASP A 37 0.323 -6.577 -1.556 1.00 0.00 C ATOM 402 CG ASP A 37 0.133 -7.043 -3.007 1.00 0.00 C ATOM 403 OD1 ASP A 37 -0.994 -7.039 -3.460 1.00 0.00 O ATOM 404 OD2 ASP A 37 1.113 -7.376 -3.644 1.00 0.00 O ATOM 0 H ASP A 37 -0.463 -6.224 1.191 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.690 -5.781 -1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.893 -5.648 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.905 -7.317 -1.006 1.00 0.00 H new ATOM 409 N VAL A 38 -2.510 -8.187 -1.364 1.00 0.00 N ATOM 410 CA VAL A 38 -3.109 -9.528 -1.134 1.00 0.00 C ATOM 411 C VAL A 38 -3.046 -10.304 -2.437 1.00 0.00 C ATOM 412 O VAL A 38 -3.874 -10.174 -3.311 1.00 0.00 O ATOM 413 CB VAL A 38 -4.563 -9.394 -0.654 1.00 0.00 C ATOM 414 CG1 VAL A 38 -4.597 -8.324 0.526 1.00 0.00 C ATOM 415 CG2 VAL A 38 -5.476 -8.838 -1.832 1.00 0.00 C ATOM 0 H VAL A 38 -2.854 -7.693 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.554 -10.057 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.929 -10.368 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.620 -8.210 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.961 -8.664 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.233 -7.365 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.505 -8.746 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.110 -7.860 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.440 -9.526 -2.676 1.00 0.00 H new ATOM 425 N ARG A 39 -2.036 -11.105 -2.572 1.00 0.00 N ATOM 426 CA ARG A 39 -1.878 -11.941 -3.799 1.00 0.00 C ATOM 427 C ARG A 39 -2.598 -13.257 -3.548 1.00 0.00 C ATOM 428 O ARG A 39 -3.320 -13.755 -4.379 1.00 0.00 O ATOM 429 CB ARG A 39 -0.394 -12.229 -4.045 1.00 0.00 C ATOM 430 CG ARG A 39 -0.248 -13.029 -5.379 1.00 0.00 C ATOM 431 CD ARG A 39 1.248 -13.354 -5.722 1.00 0.00 C ATOM 432 NE ARG A 39 1.567 -14.108 -7.061 1.00 0.00 N ATOM 433 CZ ARG A 39 0.516 -14.843 -7.482 1.00 0.00 C ATOM 434 NH1 ARG A 39 -0.410 -14.135 -7.812 1.00 0.00 N ATOM 435 NH2 ARG A 39 1.060 -15.494 -8.414 1.00 0.00 N ATOM 0 H ARG A 39 -1.298 -11.222 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.287 -11.423 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.167 -11.296 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.022 -12.801 -3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.811 -13.959 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.688 -12.454 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.797 -12.412 -5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.653 -13.948 -4.903 1.00 0.00 H new ATOM 0 HE ARG A 39 2.459 -14.050 -7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.324 -13.121 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.275 -14.553 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.047 -15.350 -8.628 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.513 -16.165 -8.954 1.00 0.00 H new ATOM 449 N THR A 40 -2.396 -13.833 -2.399 1.00 0.00 N ATOM 450 CA THR A 40 -3.064 -15.133 -2.107 1.00 0.00 C ATOM 451 C THR A 40 -2.629 -15.646 -0.729 1.00 0.00 C ATOM 452 O THR A 40 -1.508 -15.467 -0.319 1.00 0.00 O ATOM 453 CB THR A 40 -2.626 -16.101 -3.201 1.00 0.00 C ATOM 454 OG1 THR A 40 -3.350 -15.785 -4.375 1.00 0.00 O ATOM 455 CG2 THR A 40 -2.961 -17.586 -2.749 1.00 0.00 C ATOM 0 H THR A 40 -1.803 -13.466 -1.654 1.00 0.00 H new ATOM 0 HA THR A 40 -4.149 -15.030 -2.091 1.00 0.00 H new ATOM 0 HB THR A 40 -1.555 -16.019 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.648 -14.852 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.650 -18.282 -3.528 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.429 -17.814 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.034 -17.683 -2.584 1.00 0.00 H new ATOM 463 N PRO A 41 -3.533 -16.240 -0.001 1.00 0.00 N ATOM 464 CA PRO A 41 -3.234 -16.755 1.355 1.00 0.00 C ATOM 465 C PRO A 41 -1.866 -17.403 1.402 1.00 0.00 C ATOM 466 O PRO A 41 -1.108 -17.254 2.331 1.00 0.00 O ATOM 467 CB PRO A 41 -4.355 -17.773 1.612 1.00 0.00 C ATOM 468 CG PRO A 41 -5.499 -17.398 0.726 1.00 0.00 C ATOM 469 CD PRO A 41 -4.968 -16.471 -0.375 1.00 0.00 C ATOM 0 HA PRO A 41 -3.204 -15.971 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.014 -18.785 1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.657 -17.757 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.949 -18.289 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.278 -16.898 1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.054 -16.932 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.526 -15.535 -0.411 1.00 0.00 H new ATOM 477 N GLU A 42 -1.530 -18.122 0.375 1.00 0.00 N ATOM 478 CA GLU A 42 -0.198 -18.786 0.327 1.00 0.00 C ATOM 479 C GLU A 42 0.885 -17.709 0.384 1.00 0.00 C ATOM 480 O GLU A 42 1.962 -17.921 0.889 1.00 0.00 O ATOM 481 CB GLU A 42 -0.065 -19.568 -0.985 1.00 0.00 C ATOM 482 CG GLU A 42 -1.095 -20.698 -1.012 1.00 0.00 C ATOM 483 CD GLU A 42 -0.921 -21.536 -2.283 1.00 0.00 C ATOM 484 OE1 GLU A 42 -0.141 -21.139 -3.126 1.00 0.00 O ATOM 485 OE2 GLU A 42 -1.575 -22.552 -2.397 1.00 0.00 O ATOM 0 H GLU A 42 -2.122 -18.281 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.092 -19.471 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.217 -18.902 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.941 -19.977 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.977 -21.329 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.103 -20.284 -0.975 1.00 0.00 H new ATOM 492 N GLU A 43 0.608 -16.546 -0.128 1.00 0.00 N ATOM 493 CA GLU A 43 1.628 -15.445 -0.097 1.00 0.00 C ATOM 494 C GLU A 43 2.069 -15.215 1.349 1.00 0.00 C ATOM 495 O GLU A 43 3.191 -14.865 1.627 1.00 0.00 O ATOM 496 CB GLU A 43 1.006 -14.157 -0.658 1.00 0.00 C ATOM 497 CG GLU A 43 2.101 -13.113 -0.906 1.00 0.00 C ATOM 498 CD GLU A 43 1.474 -11.796 -1.370 1.00 0.00 C ATOM 499 OE1 GLU A 43 0.280 -11.644 -1.206 1.00 0.00 O ATOM 500 OE2 GLU A 43 2.193 -10.967 -1.887 1.00 0.00 O ATOM 0 H GLU A 43 -0.279 -16.302 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 43 2.490 -15.722 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.480 -14.372 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.269 -13.764 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.674 -12.951 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.799 -13.478 -1.659 1.00 0.00 H new ATOM 507 N PHE A 44 1.181 -15.425 2.266 1.00 0.00 N ATOM 508 CA PHE A 44 1.498 -15.257 3.722 1.00 0.00 C ATOM 509 C PHE A 44 2.484 -16.346 4.145 1.00 0.00 C ATOM 510 O PHE A 44 3.442 -16.111 4.848 1.00 0.00 O ATOM 511 CB PHE A 44 0.196 -15.445 4.498 1.00 0.00 C ATOM 512 CG PHE A 44 0.371 -15.188 5.978 1.00 0.00 C ATOM 513 CD1 PHE A 44 0.345 -13.880 6.488 1.00 0.00 C ATOM 514 CD2 PHE A 44 0.573 -16.278 6.847 1.00 0.00 C ATOM 515 CE1 PHE A 44 0.538 -13.663 7.857 1.00 0.00 C ATOM 516 CE2 PHE A 44 0.770 -16.059 8.212 1.00 0.00 C ATOM 517 CZ PHE A 44 0.740 -14.753 8.724 1.00 0.00 C ATOM 0 H PHE A 44 0.222 -15.714 2.074 1.00 0.00 H new ATOM 0 HA PHE A 44 1.932 -14.276 3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.562 -14.770 4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.171 -16.460 4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.177 -13.044 5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.576 -17.285 6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.532 -12.657 8.249 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.945 -16.895 8.873 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.872 -14.584 9.783 1.00 0.00 H new ATOM 527 N SER A 45 2.239 -17.551 3.721 1.00 0.00 N ATOM 528 CA SER A 45 3.155 -18.682 4.070 1.00 0.00 C ATOM 529 C SER A 45 4.565 -18.337 3.616 1.00 0.00 C ATOM 530 O SER A 45 5.538 -18.752 4.200 1.00 0.00 O ATOM 531 CB SER A 45 2.692 -19.958 3.359 1.00 0.00 C ATOM 532 OG SER A 45 3.483 -21.054 3.790 1.00 0.00 O ATOM 0 H SER A 45 1.439 -17.809 3.143 1.00 0.00 H new ATOM 0 HA SER A 45 3.141 -18.844 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.641 -20.147 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.777 -19.837 2.279 1.00 0.00 H new ATOM 0 HG SER A 45 3.186 -21.870 3.336 1.00 0.00 H new ATOM 538 N GLN A 46 4.683 -17.566 2.583 1.00 0.00 N ATOM 539 CA GLN A 46 6.037 -17.178 2.089 1.00 0.00 C ATOM 540 C GLN A 46 6.671 -16.222 3.101 1.00 0.00 C ATOM 541 O GLN A 46 7.849 -16.267 3.373 1.00 0.00 O ATOM 542 CB GLN A 46 5.907 -16.511 0.707 1.00 0.00 C ATOM 543 CG GLN A 46 5.203 -17.449 -0.273 1.00 0.00 C ATOM 544 CD GLN A 46 5.995 -18.747 -0.438 1.00 0.00 C ATOM 545 OE1 GLN A 46 7.197 -18.736 -0.597 1.00 0.00 O ATOM 546 NE2 GLN A 46 5.361 -19.877 -0.396 1.00 0.00 N ATOM 0 H GLN A 46 3.901 -17.182 2.052 1.00 0.00 H new ATOM 0 HA GLN A 46 6.673 -18.057 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.346 -15.581 0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.895 -16.252 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.199 -17.673 0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.093 -16.958 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.350 -19.890 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.873 -20.753 -0.497 1.00 0.00 H new ATOM 555 N GLY A 47 5.872 -15.372 3.681 1.00 0.00 N ATOM 556 CA GLY A 47 6.382 -14.405 4.706 1.00 0.00 C ATOM 557 C GLY A 47 6.096 -12.971 4.291 1.00 0.00 C ATOM 558 O GLY A 47 5.129 -12.671 3.634 1.00 0.00 O ATOM 0 H GLY A 47 4.873 -15.301 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.913 -14.609 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.455 -14.542 4.838 1.00 0.00 H new ATOM 562 N HIS A 48 6.953 -12.086 4.673 1.00 0.00 N ATOM 563 CA HIS A 48 6.764 -10.654 4.315 1.00 0.00 C ATOM 564 C HIS A 48 7.657 -10.306 3.128 1.00 0.00 C ATOM 565 O HIS A 48 8.086 -11.142 2.366 1.00 0.00 O ATOM 566 CB HIS A 48 7.054 -9.770 5.540 1.00 0.00 C ATOM 567 CG HIS A 48 6.164 -10.121 6.705 1.00 0.00 C ATOM 568 ND1 HIS A 48 4.798 -9.860 6.686 1.00 0.00 N ATOM 569 CD2 HIS A 48 6.421 -10.673 7.933 1.00 0.00 C ATOM 570 CE1 HIS A 48 4.295 -10.252 7.872 1.00 0.00 C ATOM 571 NE2 HIS A 48 5.231 -10.754 8.668 1.00 0.00 N ATOM 0 H HIS A 48 7.788 -12.287 5.224 1.00 0.00 H new ATOM 0 HA HIS A 48 5.731 -10.471 4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.098 -9.884 5.832 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.910 -8.723 5.275 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.391 -10.996 8.280 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.253 -10.168 8.143 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.110 -11.120 9.612 1.00 0.00 H new ATOM 580 N ALA A 49 7.903 -9.046 2.959 1.00 0.00 N ATOM 581 CA ALA A 49 8.742 -8.588 1.820 1.00 0.00 C ATOM 582 C ALA A 49 9.579 -7.389 2.257 1.00 0.00 C ATOM 583 O ALA A 49 9.349 -6.779 3.280 1.00 0.00 O ATOM 584 CB ALA A 49 7.804 -8.152 0.601 1.00 0.00 C ATOM 0 H ALA A 49 7.557 -8.302 3.565 1.00 0.00 H new ATOM 0 HA ALA A 49 9.395 -9.402 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.422 -7.817 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.199 -9.002 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.150 -7.339 0.918 1.00 0.00 H new ATOM 590 N CYS A 50 10.536 -7.054 1.471 1.00 0.00 N ATOM 591 CA CYS A 50 11.441 -5.913 1.780 1.00 0.00 C ATOM 592 C CYS A 50 10.759 -4.637 1.315 1.00 0.00 C ATOM 593 O CYS A 50 10.671 -4.335 0.148 1.00 0.00 O ATOM 594 CB CYS A 50 12.791 -6.104 1.099 1.00 0.00 C ATOM 595 SG CYS A 50 13.993 -5.129 2.004 1.00 0.00 S ATOM 0 H CYS A 50 10.746 -7.532 0.595 1.00 0.00 H new ATOM 0 HA CYS A 50 11.632 -5.855 2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 50 13.074 -7.157 1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.744 -5.785 0.058 1.00 0.00 H new ATOM 0 HG CYS A 50 14.583 -5.878 2.888 1.00 0.00 H new ATOM 601 N GLY A 51 10.265 -3.890 2.251 1.00 0.00 N ATOM 602 CA GLY A 51 9.599 -2.594 1.933 1.00 0.00 C ATOM 603 C GLY A 51 8.223 -2.879 1.360 1.00 0.00 C ATOM 604 O GLY A 51 7.675 -2.113 0.602 1.00 0.00 O ATOM 0 H GLY A 51 10.292 -4.122 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.514 -1.983 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.196 -2.028 1.218 1.00 0.00 H new ATOM 608 N ALA A 52 7.655 -3.984 1.707 1.00 0.00 N ATOM 609 CA ALA A 52 6.308 -4.318 1.170 1.00 0.00 C ATOM 610 C ALA A 52 5.609 -5.285 2.112 1.00 0.00 C ATOM 611 O ALA A 52 6.081 -6.346 2.422 1.00 0.00 O ATOM 612 CB ALA A 52 6.479 -5.015 -0.250 1.00 0.00 C ATOM 0 H ALA A 52 8.058 -4.676 2.339 1.00 0.00 H new ATOM 0 HA ALA A 52 5.716 -3.408 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.498 -5.264 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.989 -4.333 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.068 -5.925 -0.140 1.00 0.00 H new ATOM 618 N ILE A 53 4.463 -4.914 2.573 1.00 0.00 N ATOM 619 CA ILE A 53 3.710 -5.814 3.471 1.00 0.00 C ATOM 620 C ILE A 53 2.545 -6.450 2.724 1.00 0.00 C ATOM 621 O ILE A 53 1.545 -5.836 2.444 1.00 0.00 O ATOM 622 CB ILE A 53 3.219 -4.985 4.645 1.00 0.00 C ATOM 623 CG1 ILE A 53 4.421 -4.603 5.509 1.00 0.00 C ATOM 624 CG2 ILE A 53 2.186 -5.817 5.508 1.00 0.00 C ATOM 625 CD1 ILE A 53 5.269 -3.507 4.717 1.00 0.00 C ATOM 0 H ILE A 53 4.011 -4.023 2.368 1.00 0.00 H new ATOM 0 HA ILE A 53 4.346 -6.624 3.828 1.00 0.00 H new ATOM 0 HB ILE A 53 2.721 -4.088 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.090 -4.208 6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.033 -5.480 5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.842 -5.212 6.346 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.334 -6.095 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.670 -6.718 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.134 -3.216 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.605 -3.923 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.647 -2.632 4.529 1.00 0.00 H new ATOM 637 N ASN A 54 2.696 -7.689 2.377 1.00 0.00 N ATOM 638 CA ASN A 54 1.631 -8.396 1.606 1.00 0.00 C ATOM 639 C ASN A 54 0.940 -9.392 2.502 1.00 0.00 C ATOM 640 O ASN A 54 1.532 -10.310 3.012 1.00 0.00 O ATOM 641 CB ASN A 54 2.247 -9.134 0.411 1.00 0.00 C ATOM 642 CG ASN A 54 3.224 -8.235 -0.342 1.00 0.00 C ATOM 643 OD1 ASN A 54 3.109 -6.950 -0.219 1.00 0.00 O flip ATOM 644 ND2 ASN A 54 4.101 -8.698 -1.041 1.00 0.00 N flip ATOM 0 H ASN A 54 3.517 -8.254 2.593 1.00 0.00 H new ATOM 0 HA ASN A 54 0.911 -7.663 1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.764 -10.028 0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.457 -9.464 -0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.194 -9.709 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.745 -8.076 -1.530 1.00 0.00 H new ATOM 651 N VAL A 55 -0.305 -9.216 2.705 1.00 0.00 N ATOM 652 CA VAL A 55 -1.039 -10.154 3.568 1.00 0.00 C ATOM 653 C VAL A 55 -2.434 -10.383 2.985 1.00 0.00 C ATOM 654 O VAL A 55 -2.893 -9.677 2.108 1.00 0.00 O ATOM 655 CB VAL A 55 -1.092 -9.559 4.974 1.00 0.00 C ATOM 656 CG1 VAL A 55 -0.150 -8.281 5.066 1.00 0.00 C ATOM 657 CG2 VAL A 55 -2.581 -9.115 5.295 1.00 0.00 C ATOM 0 H VAL A 55 -0.861 -8.457 2.310 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.544 -11.124 3.621 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.755 -10.310 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.197 -7.866 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.877 -8.569 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.483 -7.531 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.626 -8.689 6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.903 -8.368 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.239 -9.982 5.239 1.00 0.00 H new ATOM 667 N PRO A 56 -3.074 -11.427 3.434 1.00 0.00 N ATOM 668 CA PRO A 56 -4.421 -11.798 2.954 1.00 0.00 C ATOM 669 C PRO A 56 -5.504 -11.041 3.687 1.00 0.00 C ATOM 670 O PRO A 56 -6.284 -11.576 4.451 1.00 0.00 O ATOM 671 CB PRO A 56 -4.499 -13.320 3.184 1.00 0.00 C ATOM 672 CG PRO A 56 -3.505 -13.650 4.246 1.00 0.00 C ATOM 673 CD PRO A 56 -2.611 -12.418 4.464 1.00 0.00 C ATOM 0 HA PRO A 56 -4.579 -11.541 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.503 -13.613 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.276 -13.861 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.013 -13.920 5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.903 -14.509 3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.721 -12.022 5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.557 -12.664 4.332 1.00 0.00 H new ATOM 681 N TYR A 57 -5.553 -9.766 3.448 1.00 0.00 N ATOM 682 CA TYR A 57 -6.584 -8.912 4.102 1.00 0.00 C ATOM 683 C TYR A 57 -6.512 -9.082 5.607 1.00 0.00 C ATOM 684 O TYR A 57 -5.974 -8.269 6.323 1.00 0.00 O ATOM 685 CB TYR A 57 -7.940 -9.381 3.595 1.00 0.00 C ATOM 686 CG TYR A 57 -8.029 -9.325 2.082 1.00 0.00 C ATOM 687 CD1 TYR A 57 -8.059 -8.072 1.447 1.00 0.00 C ATOM 688 CD2 TYR A 57 -8.103 -10.498 1.314 1.00 0.00 C ATOM 689 CE1 TYR A 57 -8.152 -7.991 0.060 1.00 0.00 C ATOM 690 CE2 TYR A 57 -8.198 -10.413 -0.078 1.00 0.00 C ATOM 691 CZ TYR A 57 -8.226 -9.159 -0.712 1.00 0.00 C ATOM 692 OH TYR A 57 -8.321 -9.074 -2.086 1.00 0.00 O ATOM 0 H TYR A 57 -4.918 -9.270 2.822 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.423 -7.860 3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.120 -10.402 3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.724 -8.760 4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.010 -7.169 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.087 -11.464 1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.167 -7.025 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.250 -11.315 -0.669 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.362 -9.976 -2.467 1.00 0.00 H new ATOM 702 N MET A 58 -7.056 -10.142 6.085 1.00 0.00 N ATOM 703 CA MET A 58 -7.044 -10.391 7.550 1.00 0.00 C ATOM 704 C MET A 58 -6.105 -11.541 7.876 1.00 0.00 C ATOM 705 O MET A 58 -6.000 -12.506 7.160 1.00 0.00 O ATOM 706 CB MET A 58 -8.456 -10.734 8.003 1.00 0.00 C ATOM 707 CG MET A 58 -9.466 -9.753 7.427 1.00 0.00 C ATOM 708 SD MET A 58 -9.010 -8.109 8.006 1.00 0.00 S ATOM 709 CE MET A 58 -10.204 -8.015 9.452 1.00 0.00 C ATOM 0 H MET A 58 -7.516 -10.861 5.527 1.00 0.00 H new ATOM 0 HA MET A 58 -6.695 -9.498 8.069 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.707 -11.747 7.688 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.507 -10.717 9.092 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.460 -9.792 6.338 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.476 -10.007 7.750 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.748 -7.450 10.265 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.121 -7.518 9.135 1.00 0.00 H new ATOM 0 HE3 MET A 58 -10.437 -9.022 9.797 1.00 0.00 H new ATOM 719 N ASN A 59 -5.424 -11.436 8.963 1.00 0.00 N ATOM 720 CA ASN A 59 -4.474 -12.514 9.375 1.00 0.00 C ATOM 721 C ASN A 59 -4.434 -12.564 10.899 1.00 0.00 C ATOM 722 O ASN A 59 -4.328 -11.561 11.559 1.00 0.00 O ATOM 723 CB ASN A 59 -3.082 -12.201 8.834 1.00 0.00 C ATOM 724 CG ASN A 59 -2.143 -13.361 9.134 1.00 0.00 C ATOM 725 OD1 ASN A 59 -2.277 -14.462 8.469 1.00 0.00 O flip ATOM 726 ND2 ASN A 59 -1.280 -13.268 9.981 1.00 0.00 N flip ATOM 0 H ASN A 59 -5.476 -10.643 9.602 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.800 -13.475 8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.130 -12.027 7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.702 -11.286 9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.173 -12.400 10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.662 -14.057 10.168 1.00 0.00 H new ATOM 733 N ARG A 60 -4.525 -13.727 11.459 1.00 0.00 N ATOM 734 CA ARG A 60 -4.491 -13.843 12.958 1.00 0.00 C ATOM 735 C ARG A 60 -3.050 -13.716 13.422 1.00 0.00 C ATOM 736 O ARG A 60 -2.151 -14.328 12.899 1.00 0.00 O ATOM 737 CB ARG A 60 -5.038 -15.219 13.390 1.00 0.00 C ATOM 738 CG ARG A 60 -4.990 -15.371 14.949 1.00 0.00 C ATOM 739 CD ARG A 60 -5.605 -16.752 15.431 1.00 0.00 C ATOM 740 NE ARG A 60 -5.569 -16.989 17.013 1.00 0.00 N ATOM 741 CZ ARG A 60 -4.499 -16.440 17.598 1.00 0.00 C ATOM 742 NH1 ARG A 60 -3.504 -17.017 17.240 1.00 0.00 N ATOM 743 NH2 ARG A 60 -4.808 -16.606 18.823 1.00 0.00 N ATOM 0 H ARG A 60 -4.622 -14.609 10.957 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.104 -13.058 13.400 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.064 -15.334 13.040 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.452 -16.011 12.924 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.957 -15.296 15.289 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.538 -14.549 15.410 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.640 -16.810 15.093 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.064 -17.564 14.944 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.287 -17.505 17.522 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.574 -17.796 16.585 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.592 -16.726 17.591 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.687 -17.061 19.070 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.176 -16.284 19.556 1.00 0.00 H new ATOM 757 N GLY A 61 -2.826 -12.915 14.408 1.00 0.00 N ATOM 758 CA GLY A 61 -1.446 -12.733 14.937 1.00 0.00 C ATOM 759 C GLY A 61 -1.483 -11.823 16.152 1.00 0.00 C ATOM 760 O GLY A 61 -2.521 -11.459 16.651 1.00 0.00 O ATOM 0 H GLY A 61 -3.544 -12.367 14.882 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.018 -13.699 15.206 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.804 -12.304 14.168 1.00 0.00 H new ATOM 764 N ALA A 62 -0.354 -11.443 16.620 1.00 0.00 N ATOM 765 CA ALA A 62 -0.295 -10.543 17.800 1.00 0.00 C ATOM 766 C ALA A 62 -0.951 -9.222 17.427 1.00 0.00 C ATOM 767 O ALA A 62 -1.064 -8.322 18.220 1.00 0.00 O ATOM 768 CB ALA A 62 1.230 -10.309 18.175 1.00 0.00 C ATOM 0 H ALA A 62 0.552 -11.715 16.239 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.815 -10.978 18.653 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.295 -9.650 19.040 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.697 -11.265 18.411 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.746 -9.852 17.331 1.00 0.00 H new ATOM 774 N SER A 63 -1.385 -9.117 16.218 1.00 0.00 N ATOM 775 CA SER A 63 -2.051 -7.866 15.771 1.00 0.00 C ATOM 776 C SER A 63 -3.322 -7.700 16.601 1.00 0.00 C ATOM 777 O SER A 63 -3.987 -6.693 16.560 1.00 0.00 O ATOM 778 CB SER A 63 -2.392 -7.966 14.279 1.00 0.00 C ATOM 779 OG SER A 63 -3.212 -6.866 13.911 1.00 0.00 O ATOM 0 H SER A 63 -1.310 -9.846 15.508 1.00 0.00 H new ATOM 0 HA SER A 63 -1.397 -7.005 15.910 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.478 -7.968 13.685 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.908 -8.904 14.074 1.00 0.00 H new ATOM 0 HG SER A 63 -3.644 -6.498 14.710 1.00 0.00 H new ATOM 785 N GLY A 64 -3.666 -8.701 17.364 1.00 0.00 N ATOM 786 CA GLY A 64 -4.902 -8.631 18.211 1.00 0.00 C ATOM 787 C GLY A 64 -5.978 -9.529 17.605 1.00 0.00 C ATOM 788 O GLY A 64 -7.160 -9.292 17.739 1.00 0.00 O ATOM 0 H GLY A 64 -3.143 -9.573 17.441 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.678 -8.948 19.229 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.260 -7.603 18.269 1.00 0.00 H new ATOM 792 N MET A 65 -5.565 -10.567 16.951 1.00 0.00 N ATOM 793 CA MET A 65 -6.535 -11.520 16.322 1.00 0.00 C ATOM 794 C MET A 65 -7.473 -10.774 15.375 1.00 0.00 C ATOM 795 O MET A 65 -8.263 -9.949 15.767 1.00 0.00 O ATOM 796 CB MET A 65 -7.358 -12.220 17.404 1.00 0.00 C ATOM 797 CG MET A 65 -6.438 -13.036 18.310 1.00 0.00 C ATOM 798 SD MET A 65 -7.435 -13.973 19.514 1.00 0.00 S ATOM 799 CE MET A 65 -8.156 -12.480 20.382 1.00 0.00 C ATOM 0 H MET A 65 -4.583 -10.808 16.818 1.00 0.00 H new ATOM 0 HA MET A 65 -5.972 -12.263 15.757 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.902 -11.482 17.993 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.101 -12.871 16.944 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.836 -13.720 17.712 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.746 -12.375 18.832 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.419 -12.746 21.406 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.421 -11.676 20.394 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.049 -12.147 19.853 1.00 0.00 H new ATOM 809 N SER A 66 -7.392 -11.081 14.125 1.00 0.00 N ATOM 810 CA SER A 66 -8.273 -10.419 13.118 1.00 0.00 C ATOM 811 C SER A 66 -8.291 -11.276 11.857 1.00 0.00 C ATOM 812 O SER A 66 -7.413 -11.218 11.030 1.00 0.00 O ATOM 813 CB SER A 66 -7.755 -9.014 12.806 1.00 0.00 C ATOM 814 OG SER A 66 -8.828 -8.200 12.358 1.00 0.00 O ATOM 0 H SER A 66 -6.747 -11.772 13.742 1.00 0.00 H new ATOM 0 HA SER A 66 -9.285 -10.323 13.511 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.300 -8.577 13.695 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.979 -9.063 12.042 1.00 0.00 H new ATOM 0 HG SER A 66 -8.495 -7.300 12.160 1.00 0.00 H new ATOM 820 N LYS A 67 -9.292 -12.084 11.712 1.00 0.00 N ATOM 821 CA LYS A 67 -9.375 -12.965 10.511 1.00 0.00 C ATOM 822 C LYS A 67 -10.743 -12.768 9.857 1.00 0.00 C ATOM 823 O LYS A 67 -11.777 -12.938 10.461 1.00 0.00 O ATOM 824 CB LYS A 67 -9.159 -14.432 10.923 1.00 0.00 C ATOM 825 CG LYS A 67 -9.017 -15.317 9.685 1.00 0.00 C ATOM 826 CD LYS A 67 -7.554 -15.320 9.238 1.00 0.00 C ATOM 827 CE LYS A 67 -7.398 -16.191 7.997 1.00 0.00 C ATOM 828 NZ LYS A 67 -8.140 -17.545 8.241 1.00 0.00 N ATOM 0 H LYS A 67 -10.064 -12.178 12.373 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.597 -12.705 9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.265 -14.515 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.999 -14.774 11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.344 -16.332 9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.655 -14.946 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.227 -14.303 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.919 -15.696 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.812 -15.685 7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.343 -16.370 7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.687 -18.295 7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.092 -17.790 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.135 -17.452 7.954 1.00 0.00 H new ATOM 842 N ASN A 68 -10.733 -12.367 8.626 1.00 0.00 N ATOM 843 CA ASN A 68 -12.005 -12.129 7.874 1.00 0.00 C ATOM 844 C ASN A 68 -13.011 -13.204 8.206 1.00 0.00 C ATOM 845 O ASN A 68 -13.038 -14.259 7.626 1.00 0.00 O ATOM 846 CB ASN A 68 -11.710 -12.154 6.383 1.00 0.00 C ATOM 847 CG ASN A 68 -12.842 -11.511 5.596 1.00 0.00 C ATOM 848 OD1 ASN A 68 -13.071 -10.324 5.677 1.00 0.00 O ATOM 849 ND2 ASN A 68 -13.572 -12.261 4.837 1.00 0.00 N ATOM 0 H ASN A 68 -9.884 -12.188 8.090 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.417 -11.160 8.156 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.777 -11.626 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.571 -13.183 6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.341 -11.854 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.378 -13.260 4.769 1.00 0.00 H new ATOM 856 N THR A 69 -13.838 -12.937 9.147 1.00 0.00 N ATOM 857 CA THR A 69 -14.853 -13.936 9.547 1.00 0.00 C ATOM 858 C THR A 69 -16.005 -13.244 10.281 1.00 0.00 C ATOM 859 O THR A 69 -17.155 -13.446 9.969 1.00 0.00 O ATOM 860 CB THR A 69 -14.160 -14.957 10.444 1.00 0.00 C ATOM 861 OG1 THR A 69 -12.918 -15.265 9.876 1.00 0.00 O ATOM 862 CG2 THR A 69 -15.030 -16.277 10.551 1.00 0.00 C ATOM 0 H THR A 69 -13.862 -12.061 9.669 1.00 0.00 H new ATOM 0 HA THR A 69 -15.277 -14.436 8.676 1.00 0.00 H new ATOM 0 HB THR A 69 -14.035 -14.543 11.444 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.038 -15.494 8.931 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.523 -16.996 11.194 1.00 0.00 H new ATOM 0 HG22 THR A 69 -16.005 -16.037 10.974 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.161 -16.708 9.558 1.00 0.00 H new ATOM 870 N ASP A 70 -15.723 -12.416 11.231 1.00 0.00 N ATOM 871 CA ASP A 70 -16.827 -11.708 11.959 1.00 0.00 C ATOM 872 C ASP A 70 -16.274 -10.399 12.513 1.00 0.00 C ATOM 873 O ASP A 70 -16.978 -9.435 12.701 1.00 0.00 O ATOM 874 CB ASP A 70 -17.336 -12.555 13.137 1.00 0.00 C ATOM 875 CG ASP A 70 -16.192 -12.939 14.089 1.00 0.00 C ATOM 876 OD1 ASP A 70 -15.080 -12.506 13.857 1.00 0.00 O ATOM 877 OD2 ASP A 70 -16.439 -13.687 15.016 1.00 0.00 O ATOM 0 H ASP A 70 -14.780 -12.189 11.545 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.651 -11.531 11.268 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.096 -11.998 13.685 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.814 -13.458 12.758 1.00 0.00 H new ATOM 882 N PHE A 71 -15.008 -10.383 12.778 1.00 0.00 N ATOM 883 CA PHE A 71 -14.339 -9.168 13.328 1.00 0.00 C ATOM 884 C PHE A 71 -14.697 -7.970 12.454 1.00 0.00 C ATOM 885 O PHE A 71 -14.645 -6.831 12.868 1.00 0.00 O ATOM 886 CB PHE A 71 -12.827 -9.377 13.253 1.00 0.00 C ATOM 887 CG PHE A 71 -12.363 -10.500 14.156 1.00 0.00 C ATOM 888 CD1 PHE A 71 -12.074 -10.224 15.505 1.00 0.00 C ATOM 889 CD2 PHE A 71 -12.216 -11.811 13.662 1.00 0.00 C ATOM 890 CE1 PHE A 71 -11.611 -11.238 16.347 1.00 0.00 C ATOM 891 CE2 PHE A 71 -11.754 -12.827 14.509 1.00 0.00 C ATOM 892 CZ PHE A 71 -11.468 -12.546 15.858 1.00 0.00 C ATOM 0 H PHE A 71 -14.386 -11.179 12.635 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.657 -8.996 14.356 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.542 -9.598 12.224 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -12.319 -8.454 13.533 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -12.211 -9.225 15.891 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -12.459 -12.032 12.633 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.363 -11.016 17.374 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.617 -13.827 14.126 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.139 -13.336 16.517 1.00 0.00 H new ATOM 902 N LEU A 72 -15.039 -8.230 11.228 1.00 0.00 N ATOM 903 CA LEU A 72 -15.379 -7.121 10.303 1.00 0.00 C ATOM 904 C LEU A 72 -16.440 -6.242 10.963 1.00 0.00 C ATOM 905 O LEU A 72 -16.366 -5.038 10.957 1.00 0.00 O ATOM 906 CB LEU A 72 -15.861 -7.671 8.937 1.00 0.00 C ATOM 907 CG LEU A 72 -14.946 -8.797 8.420 1.00 0.00 C ATOM 908 CD1 LEU A 72 -14.996 -8.885 6.840 1.00 0.00 C ATOM 909 CD2 LEU A 72 -13.438 -8.480 8.859 1.00 0.00 C ATOM 0 H LEU A 72 -15.098 -9.165 10.825 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.492 -6.519 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -16.880 -8.046 9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -15.888 -6.861 8.208 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.288 -9.743 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.342 -9.687 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.018 -9.089 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.663 -7.939 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.780 -9.271 8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.127 -7.527 8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.379 -8.427 9.946 1.00 0.00 H new ATOM 921 N GLU A 73 -17.406 -6.848 11.585 1.00 0.00 N ATOM 922 CA GLU A 73 -18.447 -6.061 12.313 1.00 0.00 C ATOM 923 C GLU A 73 -17.772 -5.245 13.413 1.00 0.00 C ATOM 924 O GLU A 73 -18.092 -4.102 13.641 1.00 0.00 O ATOM 925 CB GLU A 73 -19.477 -7.018 12.934 1.00 0.00 C ATOM 926 CG GLU A 73 -18.953 -7.589 14.262 1.00 0.00 C ATOM 927 CD GLU A 73 -19.812 -8.790 14.683 1.00 0.00 C ATOM 928 OE1 GLU A 73 -20.753 -9.098 13.980 1.00 0.00 O ATOM 929 OE2 GLU A 73 -19.517 -9.378 15.706 1.00 0.00 O ATOM 0 H GLU A 73 -17.525 -7.860 11.624 1.00 0.00 H new ATOM 0 HA GLU A 73 -18.957 -5.392 11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -20.416 -6.490 13.104 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -19.690 -7.832 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.912 -7.894 14.152 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.980 -6.821 15.035 1.00 0.00 H new ATOM 936 N GLN A 74 -16.827 -5.820 14.095 1.00 0.00 N ATOM 937 CA GLN A 74 -16.110 -5.069 15.178 1.00 0.00 C ATOM 938 C GLN A 74 -15.138 -4.091 14.532 1.00 0.00 C ATOM 939 O GLN A 74 -15.054 -2.943 14.899 1.00 0.00 O ATOM 940 CB GLN A 74 -15.337 -6.051 16.064 1.00 0.00 C ATOM 941 CG GLN A 74 -16.305 -6.722 17.036 1.00 0.00 C ATOM 942 CD GLN A 74 -15.593 -7.744 17.916 1.00 0.00 C ATOM 943 OE1 GLN A 74 -14.541 -8.243 17.584 1.00 0.00 O ATOM 944 NE2 GLN A 74 -16.141 -8.077 19.043 1.00 0.00 N ATOM 0 H GLN A 74 -16.513 -6.780 13.955 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.830 -4.529 15.793 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.842 -6.802 15.448 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.557 -5.526 16.614 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.776 -5.965 17.663 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -17.102 -7.213 16.477 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.027 -7.657 19.323 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.686 -8.759 19.650 1.00 0.00 H new ATOM 953 N VAL A 75 -14.407 -4.531 13.552 1.00 0.00 N ATOM 954 CA VAL A 75 -13.442 -3.613 12.878 1.00 0.00 C ATOM 955 C VAL A 75 -14.222 -2.599 12.062 1.00 0.00 C ATOM 956 O VAL A 75 -14.064 -1.409 12.210 1.00 0.00 O ATOM 957 CB VAL A 75 -12.509 -4.402 11.946 1.00 0.00 C ATOM 958 CG1 VAL A 75 -11.800 -3.390 10.946 1.00 0.00 C ATOM 959 CG2 VAL A 75 -11.375 -5.142 12.789 1.00 0.00 C ATOM 0 H VAL A 75 -14.432 -5.483 13.186 1.00 0.00 H new ATOM 0 HA VAL A 75 -12.838 -3.111 13.634 1.00 0.00 H new ATOM 0 HB VAL A 75 -13.100 -5.139 11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.136 -3.941 10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.556 -2.872 10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.221 -2.662 11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.723 -5.696 12.114 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.788 -4.404 13.336 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.838 -5.832 13.494 1.00 0.00 H new ATOM 969 N SER A 76 -15.078 -3.064 11.207 1.00 0.00 N ATOM 970 CA SER A 76 -15.888 -2.124 10.372 1.00 0.00 C ATOM 971 C SER A 76 -16.679 -1.214 11.307 1.00 0.00 C ATOM 972 O SER A 76 -17.208 -0.203 10.912 1.00 0.00 O ATOM 973 CB SER A 76 -16.873 -2.905 9.495 1.00 0.00 C ATOM 974 OG SER A 76 -17.413 -2.052 8.502 1.00 0.00 O ATOM 0 H SER A 76 -15.258 -4.055 11.044 1.00 0.00 H new ATOM 0 HA SER A 76 -15.225 -1.544 9.731 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.366 -3.749 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 76 -17.674 -3.316 10.109 1.00 0.00 H new ATOM 0 HG SER A 76 -18.041 -2.556 7.943 1.00 0.00 H new ATOM 980 N SER A 77 -16.761 -1.567 12.557 1.00 0.00 N ATOM 981 CA SER A 77 -17.525 -0.717 13.531 1.00 0.00 C ATOM 982 C SER A 77 -17.048 0.725 13.420 1.00 0.00 C ATOM 983 O SER A 77 -17.813 1.656 13.516 1.00 0.00 O ATOM 984 CB SER A 77 -17.272 -1.201 14.965 1.00 0.00 C ATOM 985 OG SER A 77 -15.968 -0.833 15.376 1.00 0.00 O ATOM 0 H SER A 77 -16.335 -2.405 12.954 1.00 0.00 H new ATOM 0 HA SER A 77 -18.588 -0.787 13.302 1.00 0.00 H new ATOM 0 HB2 SER A 77 -18.011 -0.768 15.640 1.00 0.00 H new ATOM 0 HB3 SER A 77 -17.387 -2.284 15.018 1.00 0.00 H new ATOM 0 HG SER A 77 -15.314 -1.440 14.971 1.00 0.00 H new ATOM 991 N HIS A 78 -15.781 0.917 13.216 1.00 0.00 N ATOM 992 CA HIS A 78 -15.245 2.304 13.091 1.00 0.00 C ATOM 993 C HIS A 78 -13.766 2.212 12.719 1.00 0.00 C ATOM 994 O HIS A 78 -13.024 3.162 12.799 1.00 0.00 O ATOM 995 CB HIS A 78 -15.418 3.034 14.441 1.00 0.00 C ATOM 996 CG HIS A 78 -16.742 3.764 14.468 1.00 0.00 C ATOM 997 ND1 HIS A 78 -17.795 3.384 15.297 1.00 0.00 N ATOM 998 CD2 HIS A 78 -17.180 4.875 13.797 1.00 0.00 C ATOM 999 CE1 HIS A 78 -18.799 4.266 15.100 1.00 0.00 C ATOM 1000 NE2 HIS A 78 -18.481 5.191 14.202 1.00 0.00 N ATOM 0 H HIS A 78 -15.087 0.175 13.129 1.00 0.00 H new ATOM 0 HA HIS A 78 -15.780 2.861 12.322 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -15.372 2.317 15.260 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -14.601 3.740 14.589 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -16.607 5.425 13.065 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -19.749 4.224 15.613 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -19.061 5.965 13.877 1.00 0.00 H new ATOM 1009 N PHE A 79 -13.330 1.056 12.312 1.00 0.00 N ATOM 1010 CA PHE A 79 -11.889 0.885 11.939 1.00 0.00 C ATOM 1011 C PHE A 79 -11.767 -0.052 10.730 1.00 0.00 C ATOM 1012 O PHE A 79 -12.576 -0.927 10.508 1.00 0.00 O ATOM 1013 CB PHE A 79 -11.161 0.257 13.119 1.00 0.00 C ATOM 1014 CG PHE A 79 -9.667 0.475 13.030 1.00 0.00 C ATOM 1015 CD1 PHE A 79 -9.078 1.651 13.528 1.00 0.00 C ATOM 1016 CD2 PHE A 79 -8.863 -0.521 12.450 1.00 0.00 C ATOM 1017 CE1 PHE A 79 -7.691 1.815 13.463 1.00 0.00 C ATOM 1018 CE2 PHE A 79 -7.478 -0.359 12.390 1.00 0.00 C ATOM 1019 CZ PHE A 79 -6.889 0.816 12.882 1.00 0.00 C ATOM 0 H PHE A 79 -13.904 0.218 12.219 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.458 1.854 11.687 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.537 0.684 14.049 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -11.372 -0.812 13.151 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.695 2.425 13.959 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.318 -1.415 12.049 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.235 2.710 13.859 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.860 -1.137 11.966 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.820 0.953 12.815 1.00 0.00 H new ATOM 1029 N GLY A 80 -10.747 0.137 9.955 1.00 0.00 N ATOM 1030 CA GLY A 80 -10.523 -0.727 8.753 1.00 0.00 C ATOM 1031 C GLY A 80 -9.223 -1.515 8.897 1.00 0.00 C ATOM 1032 O GLY A 80 -8.207 -1.006 9.306 1.00 0.00 O ATOM 0 H GLY A 80 -10.043 0.861 10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.360 -1.414 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.484 -0.109 7.856 1.00 0.00 H new ATOM 1036 N GLN A 81 -9.265 -2.764 8.559 1.00 0.00 N ATOM 1037 CA GLN A 81 -8.043 -3.618 8.653 1.00 0.00 C ATOM 1038 C GLN A 81 -6.861 -2.872 8.040 1.00 0.00 C ATOM 1039 O GLN A 81 -5.729 -3.091 8.391 1.00 0.00 O ATOM 1040 CB GLN A 81 -8.283 -4.930 7.886 1.00 0.00 C ATOM 1041 CG GLN A 81 -8.045 -4.705 6.391 1.00 0.00 C ATOM 1042 CD GLN A 81 -8.691 -5.810 5.558 1.00 0.00 C ATOM 1043 OE1 GLN A 81 -9.769 -6.276 5.856 1.00 0.00 O ATOM 1044 NE2 GLN A 81 -8.062 -6.253 4.514 1.00 0.00 N ATOM 0 H GLN A 81 -10.098 -3.242 8.217 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.827 -3.843 9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.615 -5.707 8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.302 -5.279 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.453 -3.738 6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.974 -4.674 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.154 -5.862 4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.475 -6.992 3.945 1.00 0.00 H new ATOM 1053 N SER A 82 -7.114 -1.980 7.140 1.00 0.00 N ATOM 1054 CA SER A 82 -5.998 -1.199 6.522 1.00 0.00 C ATOM 1055 C SER A 82 -6.306 0.290 6.704 1.00 0.00 C ATOM 1056 O SER A 82 -5.827 1.134 5.984 1.00 0.00 O ATOM 1057 CB SER A 82 -5.897 -1.541 5.031 1.00 0.00 C ATOM 1058 OG SER A 82 -4.612 -2.078 4.752 1.00 0.00 O ATOM 0 H SER A 82 -8.046 -1.749 6.797 1.00 0.00 H new ATOM 0 HA SER A 82 -5.048 -1.444 6.997 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.670 -2.260 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.067 -0.648 4.430 1.00 0.00 H new ATOM 0 HG SER A 82 -4.633 -3.051 4.863 1.00 0.00 H new ATOM 1064 N ASP A 83 -7.114 0.606 7.680 1.00 0.00 N ATOM 1065 CA ASP A 83 -7.488 2.042 7.945 1.00 0.00 C ATOM 1066 C ASP A 83 -6.290 2.929 7.653 1.00 0.00 C ATOM 1067 O ASP A 83 -5.264 2.839 8.283 1.00 0.00 O ATOM 1068 CB ASP A 83 -7.895 2.193 9.413 1.00 0.00 C ATOM 1069 CG ASP A 83 -6.672 2.095 10.336 1.00 0.00 C ATOM 1070 OD1 ASP A 83 -5.848 1.233 10.107 1.00 0.00 O ATOM 1071 OD2 ASP A 83 -6.592 2.870 11.269 1.00 0.00 O ATOM 0 H ASP A 83 -7.539 -0.069 8.315 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.321 2.334 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.390 3.153 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.616 1.419 9.676 1.00 0.00 H new ATOM 1076 N ASN A 84 -6.415 3.782 6.690 1.00 0.00 N ATOM 1077 CA ASN A 84 -5.293 4.711 6.344 1.00 0.00 C ATOM 1078 C ASN A 84 -4.099 3.907 5.881 1.00 0.00 C ATOM 1079 O ASN A 84 -3.042 3.945 6.460 1.00 0.00 O ATOM 1080 CB ASN A 84 -4.903 5.538 7.565 1.00 0.00 C ATOM 1081 CG ASN A 84 -4.085 6.748 7.136 1.00 0.00 C ATOM 1082 OD1 ASN A 84 -4.553 7.597 6.406 1.00 0.00 O ATOM 1083 ND2 ASN A 84 -2.869 6.856 7.555 1.00 0.00 N ATOM 0 H ASN A 84 -7.251 3.885 6.115 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.618 5.381 5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.798 5.864 8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.326 4.927 8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.301 7.655 7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.476 6.142 8.169 1.00 0.00 H new ATOM 1090 N ILE A 85 -4.257 3.175 4.836 1.00 0.00 N ATOM 1091 CA ILE A 85 -3.114 2.388 4.316 1.00 0.00 C ATOM 1092 C ILE A 85 -3.197 2.318 2.800 1.00 0.00 C ATOM 1093 O ILE A 85 -4.118 2.811 2.192 1.00 0.00 O ATOM 1094 CB ILE A 85 -3.154 1.002 4.942 1.00 0.00 C ATOM 1095 CG1 ILE A 85 -2.874 1.137 6.432 1.00 0.00 C ATOM 1096 CG2 ILE A 85 -2.058 0.044 4.296 1.00 0.00 C ATOM 1097 CD1 ILE A 85 -2.722 -0.327 7.036 1.00 0.00 C ATOM 0 H ILE A 85 -5.127 3.082 4.312 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.167 2.861 4.577 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.137 0.566 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.965 1.715 6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.686 1.671 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.112 -0.939 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.245 -0.053 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.066 0.467 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.520 -0.260 8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.645 -0.885 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.897 -0.840 6.542 1.00 0.00 H new ATOM 1109 N ILE A 86 -2.225 1.748 2.186 1.00 0.00 N ATOM 1110 CA ILE A 86 -2.256 1.618 0.708 1.00 0.00 C ATOM 1111 C ILE A 86 -2.423 0.158 0.334 1.00 0.00 C ATOM 1112 O ILE A 86 -1.538 -0.648 0.481 1.00 0.00 O ATOM 1113 CB ILE A 86 -0.940 2.148 0.145 1.00 0.00 C ATOM 1114 CG1 ILE A 86 -0.681 3.562 0.708 1.00 0.00 C ATOM 1115 CG2 ILE A 86 -1.070 2.245 -1.450 1.00 0.00 C ATOM 1116 CD1 ILE A 86 0.664 4.141 0.053 1.00 0.00 C ATOM 0 H ILE A 86 -1.398 1.359 2.639 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.090 2.188 0.298 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.121 1.484 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.522 4.217 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.587 3.525 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.137 2.623 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.277 1.256 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.884 2.922 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.858 5.140 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.500 3.487 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.549 4.190 -1.030 1.00 0.00 H new ATOM 1128 N VAL A 87 -3.573 -0.188 -0.131 1.00 0.00 N ATOM 1129 CA VAL A 87 -3.856 -1.612 -0.440 1.00 0.00 C ATOM 1130 C VAL A 87 -3.942 -1.782 -1.956 1.00 0.00 C ATOM 1131 O VAL A 87 -4.190 -0.854 -2.691 1.00 0.00 O ATOM 1132 CB VAL A 87 -5.159 -2.023 0.264 1.00 0.00 C ATOM 1133 CG1 VAL A 87 -5.442 -3.577 0.086 1.00 0.00 C ATOM 1134 CG2 VAL A 87 -5.077 -1.720 1.811 1.00 0.00 C ATOM 0 H VAL A 87 -4.342 0.456 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.059 -2.261 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.963 -1.446 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.370 -3.838 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.531 -3.811 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.619 -4.148 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.009 -2.018 2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.249 -2.279 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.915 -0.653 1.965 1.00 0.00 H new ATOM 1144 N GLY A 88 -3.688 -2.961 -2.421 1.00 0.00 N ATOM 1145 CA GLY A 88 -3.732 -3.237 -3.891 1.00 0.00 C ATOM 1146 C GLY A 88 -3.829 -4.732 -4.145 1.00 0.00 C ATOM 1147 O GLY A 88 -3.178 -5.525 -3.507 1.00 0.00 O ATOM 0 H GLY A 88 -3.446 -3.766 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.587 -2.729 -4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.838 -2.837 -4.370 1.00 0.00 H new ATOM 1151 N CYS A 89 -4.642 -5.111 -5.079 1.00 0.00 N ATOM 1152 CA CYS A 89 -4.800 -6.561 -5.388 1.00 0.00 C ATOM 1153 C CYS A 89 -3.869 -6.935 -6.533 1.00 0.00 C ATOM 1154 O CYS A 89 -3.596 -6.158 -7.418 1.00 0.00 O ATOM 1155 CB CYS A 89 -6.278 -6.895 -5.705 1.00 0.00 C ATOM 1156 SG CYS A 89 -6.473 -8.608 -6.267 1.00 0.00 S ATOM 0 H CYS A 89 -5.209 -4.482 -5.648 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.524 -7.155 -4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.887 -6.732 -4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.648 -6.216 -6.473 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.562 -9.109 -5.763 1.00 0.00 H new ATOM 1162 N GLN A 90 -3.334 -8.114 -6.476 1.00 0.00 N ATOM 1163 CA GLN A 90 -2.373 -8.571 -7.526 1.00 0.00 C ATOM 1164 C GLN A 90 -2.885 -8.206 -8.909 1.00 0.00 C ATOM 1165 O GLN A 90 -2.139 -7.888 -9.804 1.00 0.00 O ATOM 1166 CB GLN A 90 -2.162 -10.086 -7.409 1.00 0.00 C ATOM 1167 CG GLN A 90 -1.365 -10.603 -8.610 1.00 0.00 C ATOM 1168 CD GLN A 90 -2.276 -10.832 -9.813 1.00 0.00 C ATOM 1169 OE1 GLN A 90 -3.360 -11.358 -9.691 1.00 0.00 O ATOM 1170 NE2 GLN A 90 -1.869 -10.454 -10.985 1.00 0.00 N ATOM 0 H GLN A 90 -3.519 -8.795 -5.740 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.417 -8.070 -7.376 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.632 -10.316 -6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.126 -10.592 -7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.586 -9.886 -8.870 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.865 -11.535 -8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.956 -10.011 -11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.462 -10.600 -11.802 1.00 0.00 H new ATOM 1179 N SER A 91 -4.165 -8.274 -9.083 1.00 0.00 N ATOM 1180 CA SER A 91 -4.775 -7.947 -10.407 1.00 0.00 C ATOM 1181 C SER A 91 -5.395 -6.557 -10.352 1.00 0.00 C ATOM 1182 O SER A 91 -5.709 -6.034 -9.309 1.00 0.00 O ATOM 1183 CB SER A 91 -5.845 -8.994 -10.741 1.00 0.00 C ATOM 1184 OG SER A 91 -5.237 -10.271 -10.861 1.00 0.00 O ATOM 0 H SER A 91 -4.831 -8.545 -8.360 1.00 0.00 H new ATOM 0 HA SER A 91 -4.009 -7.959 -11.182 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.606 -9.014 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.349 -8.731 -11.671 1.00 0.00 H new ATOM 0 HG SER A 91 -4.662 -10.434 -10.084 1.00 0.00 H new ATOM 1190 N GLY A 92 -5.569 -5.957 -11.485 1.00 0.00 N ATOM 1191 CA GLY A 92 -6.166 -4.592 -11.533 1.00 0.00 C ATOM 1192 C GLY A 92 -7.408 -4.602 -12.420 1.00 0.00 C ATOM 1193 O GLY A 92 -7.679 -5.540 -13.133 1.00 0.00 O ATOM 0 H GLY A 92 -5.323 -6.352 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.429 -4.264 -10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.437 -3.880 -11.920 1.00 0.00 H new ATOM 1197 N GLY A 93 -8.160 -3.552 -12.369 1.00 0.00 N ATOM 1198 CA GLY A 93 -9.398 -3.455 -13.197 1.00 0.00 C ATOM 1199 C GLY A 93 -10.391 -4.512 -12.732 1.00 0.00 C ATOM 1200 O GLY A 93 -11.405 -4.219 -12.143 1.00 0.00 O ATOM 0 H GLY A 93 -7.974 -2.739 -11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.836 -2.461 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.159 -3.601 -14.250 1.00 0.00 H new ATOM 1204 N ARG A 94 -10.103 -5.751 -13.003 1.00 0.00 N ATOM 1205 CA ARG A 94 -11.026 -6.853 -12.580 1.00 0.00 C ATOM 1206 C ARG A 94 -11.111 -6.864 -11.066 1.00 0.00 C ATOM 1207 O ARG A 94 -12.137 -7.137 -10.489 1.00 0.00 O ATOM 1208 CB ARG A 94 -10.506 -8.201 -13.061 1.00 0.00 C ATOM 1209 CG ARG A 94 -10.479 -8.133 -14.591 1.00 0.00 C ATOM 1210 CD ARG A 94 -10.080 -9.470 -15.166 1.00 0.00 C ATOM 1211 NE ARG A 94 -9.908 -9.346 -16.692 1.00 0.00 N ATOM 1212 CZ ARG A 94 -9.060 -10.238 -17.174 1.00 0.00 C ATOM 1213 NH1 ARG A 94 -7.961 -9.975 -16.737 1.00 0.00 N ATOM 1214 NH2 ARG A 94 -9.226 -10.052 -18.401 1.00 0.00 N ATOM 0 H ARG A 94 -9.267 -6.056 -13.501 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.010 -6.682 -13.017 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.510 -8.398 -12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.151 -9.010 -12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.461 -7.846 -14.967 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.777 -7.365 -14.916 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.149 -9.810 -14.711 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.839 -10.218 -14.935 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.393 -8.655 -17.265 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.838 -9.177 -16.113 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.159 -10.551 -16.993 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.889 -9.348 -18.725 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.698 -10.604 -19.077 1.00 0.00 H new ATOM 1228 N SER A 95 -10.031 -6.576 -10.413 1.00 0.00 N ATOM 1229 CA SER A 95 -10.037 -6.572 -8.921 1.00 0.00 C ATOM 1230 C SER A 95 -10.513 -5.218 -8.426 1.00 0.00 C ATOM 1231 O SER A 95 -11.023 -5.081 -7.338 1.00 0.00 O ATOM 1232 CB SER A 95 -8.621 -6.829 -8.388 1.00 0.00 C ATOM 1233 OG SER A 95 -8.689 -7.210 -7.020 1.00 0.00 O ATOM 0 H SER A 95 -9.137 -6.341 -10.843 1.00 0.00 H new ATOM 0 HA SER A 95 -10.704 -7.357 -8.566 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.139 -7.614 -8.971 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.012 -5.931 -8.496 1.00 0.00 H new ATOM 0 HG SER A 95 -8.051 -7.934 -6.850 1.00 0.00 H new ATOM 1239 N ILE A 96 -10.359 -4.215 -9.218 1.00 0.00 N ATOM 1240 CA ILE A 96 -10.804 -2.857 -8.803 1.00 0.00 C ATOM 1241 C ILE A 96 -12.299 -2.898 -8.500 1.00 0.00 C ATOM 1242 O ILE A 96 -12.755 -2.439 -7.478 1.00 0.00 O ATOM 1243 CB ILE A 96 -10.499 -1.881 -9.947 1.00 0.00 C ATOM 1244 CG1 ILE A 96 -9.521 -0.815 -9.472 1.00 0.00 C ATOM 1245 CG2 ILE A 96 -11.827 -1.174 -10.445 1.00 0.00 C ATOM 1246 CD1 ILE A 96 -8.147 -1.549 -9.139 1.00 0.00 C ATOM 0 H ILE A 96 -9.941 -4.268 -10.147 1.00 0.00 H new ATOM 0 HA ILE A 96 -10.280 -2.527 -7.906 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.062 -2.446 -10.770 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.375 -0.057 -10.241 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -9.908 -0.304 -8.590 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.590 -0.486 -11.256 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.529 -1.928 -10.802 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -12.276 -0.621 -9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.417 -0.816 -8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.311 -2.292 -8.359 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.771 -2.041 -10.036 1.00 0.00 H new ATOM 1258 N LYS A 97 -13.071 -3.481 -9.367 1.00 0.00 N ATOM 1259 CA LYS A 97 -14.542 -3.594 -9.105 1.00 0.00 C ATOM 1260 C LYS A 97 -14.757 -4.617 -7.987 1.00 0.00 C ATOM 1261 O LYS A 97 -15.673 -4.529 -7.205 1.00 0.00 O ATOM 1262 CB LYS A 97 -15.258 -4.045 -10.386 1.00 0.00 C ATOM 1263 CG LYS A 97 -14.757 -5.436 -10.766 1.00 0.00 C ATOM 1264 CD LYS A 97 -15.309 -5.844 -12.134 1.00 0.00 C ATOM 1265 CE LYS A 97 -15.075 -7.330 -12.351 1.00 0.00 C ATOM 1266 NZ LYS A 97 -15.403 -7.679 -13.836 1.00 0.00 N ATOM 0 H LYS A 97 -12.755 -3.887 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.950 -2.630 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.337 -4.062 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.064 -3.340 -11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.667 -5.444 -10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.065 -6.160 -10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.374 -5.621 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.821 -5.269 -12.921 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.040 -7.586 -12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.704 -7.913 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.246 -8.695 -13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.397 -7.446 -14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.785 -7.129 -14.466 1.00 0.00 H new ATOM 1280 N ALA A 98 -13.908 -5.583 -7.895 1.00 0.00 N ATOM 1281 CA ALA A 98 -14.045 -6.600 -6.813 1.00 0.00 C ATOM 1282 C ALA A 98 -13.867 -5.918 -5.457 1.00 0.00 C ATOM 1283 O ALA A 98 -14.530 -6.216 -4.491 1.00 0.00 O ATOM 1284 CB ALA A 98 -12.925 -7.708 -7.023 1.00 0.00 C ATOM 0 H ALA A 98 -13.116 -5.722 -8.522 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.030 -7.065 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.008 -8.462 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.057 -8.179 -7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.940 -7.243 -6.976 1.00 0.00 H new ATOM 1290 N THR A 99 -12.976 -4.992 -5.394 1.00 0.00 N ATOM 1291 CA THR A 99 -12.721 -4.255 -4.131 1.00 0.00 C ATOM 1292 C THR A 99 -13.993 -3.488 -3.744 1.00 0.00 C ATOM 1293 O THR A 99 -14.345 -3.350 -2.596 1.00 0.00 O ATOM 1294 CB THR A 99 -11.570 -3.289 -4.421 1.00 0.00 C ATOM 1295 OG1 THR A 99 -11.341 -3.258 -5.817 1.00 0.00 O ATOM 1296 CG2 THR A 99 -10.250 -3.770 -3.680 1.00 0.00 C ATOM 0 H THR A 99 -12.395 -4.702 -6.180 1.00 0.00 H new ATOM 0 HA THR A 99 -12.461 -4.919 -3.306 1.00 0.00 H new ATOM 0 HB THR A 99 -11.833 -2.294 -4.061 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.975 -2.642 -6.239 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.439 -3.075 -3.894 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.427 -3.801 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.977 -4.765 -4.032 1.00 0.00 H new ATOM 1304 N THR A 100 -14.691 -3.008 -4.714 1.00 0.00 N ATOM 1305 CA THR A 100 -15.950 -2.262 -4.462 1.00 0.00 C ATOM 1306 C THR A 100 -16.914 -3.160 -3.670 1.00 0.00 C ATOM 1307 O THR A 100 -17.589 -2.728 -2.764 1.00 0.00 O ATOM 1308 CB THR A 100 -16.504 -1.875 -5.831 1.00 0.00 C ATOM 1309 OG1 THR A 100 -15.433 -1.344 -6.585 1.00 0.00 O ATOM 1310 CG2 THR A 100 -17.653 -0.788 -5.700 1.00 0.00 C ATOM 0 H THR A 100 -14.442 -3.100 -5.699 1.00 0.00 H new ATOM 0 HA THR A 100 -15.796 -1.362 -3.867 1.00 0.00 H new ATOM 0 HB THR A 100 -16.935 -2.751 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 100 -15.755 -1.086 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.027 -0.533 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 100 -18.467 -1.190 -5.097 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.255 0.107 -5.221 1.00 0.00 H new ATOM 1318 N ASP A 101 -16.944 -4.421 -3.974 1.00 0.00 N ATOM 1319 CA ASP A 101 -17.828 -5.374 -3.221 1.00 0.00 C ATOM 1320 C ASP A 101 -17.390 -5.372 -1.759 1.00 0.00 C ATOM 1321 O ASP A 101 -18.192 -5.363 -0.849 1.00 0.00 O ATOM 1322 CB ASP A 101 -17.614 -6.789 -3.770 1.00 0.00 C ATOM 1323 CG ASP A 101 -18.072 -6.886 -5.230 1.00 0.00 C ATOM 1324 OD1 ASP A 101 -18.772 -5.995 -5.671 1.00 0.00 O ATOM 1325 OD2 ASP A 101 -17.738 -7.859 -5.874 1.00 0.00 O ATOM 0 H ASP A 101 -16.392 -4.847 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.872 -5.078 -3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.560 -7.056 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -18.167 -7.506 -3.163 1.00 0.00 H new ATOM 1330 N LEU A 102 -16.112 -5.400 -1.532 1.00 0.00 N ATOM 1331 CA LEU A 102 -15.598 -5.409 -0.135 1.00 0.00 C ATOM 1332 C LEU A 102 -15.859 -4.047 0.494 1.00 0.00 C ATOM 1333 O LEU A 102 -16.187 -3.928 1.651 1.00 0.00 O ATOM 1334 CB LEU A 102 -14.094 -5.765 -0.155 1.00 0.00 C ATOM 1335 CG LEU A 102 -13.747 -6.753 -1.282 1.00 0.00 C ATOM 1336 CD1 LEU A 102 -12.244 -7.258 -1.123 1.00 0.00 C ATOM 1337 CD2 LEU A 102 -14.718 -8.024 -1.148 1.00 0.00 C ATOM 0 H LEU A 102 -15.394 -5.417 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.109 -6.160 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.508 -4.854 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.812 -6.197 0.805 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.866 -6.261 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.008 -7.957 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.567 -6.406 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.128 -7.757 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.491 -8.740 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.568 -8.495 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.755 -7.701 -1.239 1.00 0.00 H new ATOM 1349 N LEU A 103 -15.770 -3.017 -0.284 1.00 0.00 N ATOM 1350 CA LEU A 103 -16.047 -1.649 0.239 1.00 0.00 C ATOM 1351 C LEU A 103 -17.454 -1.623 0.845 1.00 0.00 C ATOM 1352 O LEU A 103 -17.690 -1.051 1.885 1.00 0.00 O ATOM 1353 CB LEU A 103 -15.918 -0.649 -0.931 1.00 0.00 C ATOM 1354 CG LEU A 103 -16.313 0.773 -0.508 1.00 0.00 C ATOM 1355 CD1 LEU A 103 -15.381 1.245 0.704 1.00 0.00 C ATOM 1356 CD2 LEU A 103 -16.048 1.761 -1.732 1.00 0.00 C ATOM 0 H LEU A 103 -15.515 -3.057 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 103 -15.337 -1.372 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.891 -0.648 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -16.551 -0.972 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 103 -17.362 0.785 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.660 2.255 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -15.509 0.566 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.338 1.236 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -16.324 2.776 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.992 1.734 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -16.647 1.449 -2.588 1.00 0.00 H new ATOM 1368 N HIS A 104 -18.391 -2.273 0.221 1.00 0.00 N ATOM 1369 CA HIS A 104 -19.778 -2.332 0.784 1.00 0.00 C ATOM 1370 C HIS A 104 -19.723 -3.035 2.144 1.00 0.00 C ATOM 1371 O HIS A 104 -20.403 -2.683 3.080 1.00 0.00 O ATOM 1372 CB HIS A 104 -20.673 -3.117 -0.187 1.00 0.00 C ATOM 1373 CG HIS A 104 -20.673 -2.453 -1.540 1.00 0.00 C ATOM 1374 ND1 HIS A 104 -20.549 -3.177 -2.722 1.00 0.00 N ATOM 1375 CD2 HIS A 104 -20.816 -1.145 -1.916 1.00 0.00 C ATOM 1376 CE1 HIS A 104 -20.625 -2.296 -3.741 1.00 0.00 C ATOM 1377 NE2 HIS A 104 -20.787 -1.050 -3.312 1.00 0.00 N ATOM 0 H HIS A 104 -18.262 -2.771 -0.660 1.00 0.00 H new ATOM 0 HA HIS A 104 -20.186 -1.330 0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -20.315 -4.143 -0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -21.690 -3.167 0.203 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.933 -0.312 -1.238 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -20.562 -2.572 -4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -20.872 -0.206 -3.878 1.00 0.00 H new ATOM 1386 N ALA A 105 -18.886 -4.013 2.269 1.00 0.00 N ATOM 1387 CA ALA A 105 -18.753 -4.722 3.576 1.00 0.00 C ATOM 1388 C ALA A 105 -17.949 -3.837 4.523 1.00 0.00 C ATOM 1389 O ALA A 105 -17.974 -3.987 5.716 1.00 0.00 O ATOM 1390 CB ALA A 105 -17.990 -6.098 3.343 1.00 0.00 C ATOM 0 H ALA A 105 -18.282 -4.360 1.524 1.00 0.00 H new ATOM 0 HA ALA A 105 -19.734 -4.925 4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -17.888 -6.623 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -18.557 -6.715 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.001 -5.900 2.930 1.00 0.00 H new ATOM 1396 N GLY A 106 -17.229 -2.902 3.979 1.00 0.00 N ATOM 1397 CA GLY A 106 -16.414 -1.975 4.823 1.00 0.00 C ATOM 1398 C GLY A 106 -14.945 -2.104 4.443 1.00 0.00 C ATOM 1399 O GLY A 106 -14.188 -2.819 5.058 1.00 0.00 O ATOM 0 H GLY A 106 -17.166 -2.734 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.749 -0.947 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.550 -2.212 5.878 1.00 0.00 H new ATOM 1403 N PHE A 107 -14.539 -1.422 3.427 1.00 0.00 N ATOM 1404 CA PHE A 107 -13.113 -1.490 2.999 1.00 0.00 C ATOM 1405 C PHE A 107 -12.673 -0.119 2.482 1.00 0.00 C ATOM 1406 O PHE A 107 -12.319 0.046 1.340 1.00 0.00 O ATOM 1407 CB PHE A 107 -12.971 -2.514 1.873 1.00 0.00 C ATOM 1408 CG PHE A 107 -11.592 -3.153 1.895 1.00 0.00 C ATOM 1409 CD1 PHE A 107 -10.514 -2.495 1.277 1.00 0.00 C ATOM 1410 CD2 PHE A 107 -11.387 -4.403 2.516 1.00 0.00 C ATOM 1411 CE1 PHE A 107 -9.247 -3.087 1.259 1.00 0.00 C ATOM 1412 CE2 PHE A 107 -10.117 -4.995 2.493 1.00 0.00 C ATOM 1413 CZ PHE A 107 -9.042 -4.331 1.876 1.00 0.00 C ATOM 0 H PHE A 107 -15.131 -0.812 2.863 1.00 0.00 H new ATOM 0 HA PHE A 107 -12.493 -1.783 3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -13.735 -3.284 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -13.137 -2.029 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -10.665 -1.530 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -12.208 -4.903 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -8.425 -2.586 0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -9.964 -5.962 2.949 1.00 0.00 H new ATOM 0 HZ PHE A 107 -8.059 -4.778 1.877 1.00 0.00 H new ATOM 1423 N THR A 108 -12.697 0.874 3.317 1.00 0.00 N ATOM 1424 CA THR A 108 -12.280 2.230 2.868 1.00 0.00 C ATOM 1425 C THR A 108 -11.199 2.784 3.799 1.00 0.00 C ATOM 1426 O THR A 108 -10.801 2.160 4.756 1.00 0.00 O ATOM 1427 CB THR A 108 -13.474 3.192 2.884 1.00 0.00 C ATOM 1428 OG1 THR A 108 -12.989 4.492 3.079 1.00 0.00 O ATOM 1429 CG2 THR A 108 -14.479 2.852 4.068 1.00 0.00 C ATOM 0 H THR A 108 -12.987 0.809 4.293 1.00 0.00 H new ATOM 0 HA THR A 108 -11.891 2.144 1.853 1.00 0.00 H new ATOM 0 HB THR A 108 -14.007 3.098 1.938 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.654 5.140 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.313 3.553 4.050 1.00 0.00 H new ATOM 0 HG22 THR A 108 -14.856 1.837 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.958 2.933 5.022 1.00 0.00 H new ATOM 1437 N GLY A 109 -10.728 3.956 3.515 1.00 0.00 N ATOM 1438 CA GLY A 109 -9.655 4.582 4.352 1.00 0.00 C ATOM 1439 C GLY A 109 -8.300 4.097 3.857 1.00 0.00 C ATOM 1440 O GLY A 109 -7.305 4.176 4.536 1.00 0.00 O ATOM 0 H GLY A 109 -11.040 4.524 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.713 5.669 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.791 4.316 5.400 1.00 0.00 H new ATOM 1444 N VAL A 110 -8.261 3.578 2.674 1.00 0.00 N ATOM 1445 CA VAL A 110 -6.978 3.065 2.126 1.00 0.00 C ATOM 1446 C VAL A 110 -6.942 3.268 0.616 1.00 0.00 C ATOM 1447 O VAL A 110 -7.944 3.497 -0.013 1.00 0.00 O ATOM 1448 CB VAL A 110 -6.875 1.586 2.474 1.00 0.00 C ATOM 1449 CG1 VAL A 110 -8.113 1.131 3.374 1.00 0.00 C ATOM 1450 CG2 VAL A 110 -6.916 0.754 1.122 1.00 0.00 C ATOM 0 H VAL A 110 -9.065 3.484 2.054 1.00 0.00 H new ATOM 0 HA VAL A 110 -6.134 3.604 2.556 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.950 1.413 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.020 0.071 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.124 1.710 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.041 1.301 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.843 -0.310 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.853 0.952 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.080 1.048 0.488 1.00 0.00 H new ATOM 1460 N LYS A 111 -5.792 3.192 0.038 1.00 0.00 N ATOM 1461 CA LYS A 111 -5.695 3.394 -1.431 1.00 0.00 C ATOM 1462 C LYS A 111 -5.646 2.025 -2.112 1.00 0.00 C ATOM 1463 O LYS A 111 -5.057 1.085 -1.629 1.00 0.00 O ATOM 1464 CB LYS A 111 -4.437 4.221 -1.746 1.00 0.00 C ATOM 1465 CG LYS A 111 -4.590 5.613 -1.122 1.00 0.00 C ATOM 1466 CD LYS A 111 -3.421 6.506 -1.569 1.00 0.00 C ATOM 1467 CE LYS A 111 -3.499 7.871 -0.870 1.00 0.00 C ATOM 1468 NZ LYS A 111 -3.097 7.688 0.631 1.00 0.00 N ATOM 0 H LYS A 111 -4.910 2.999 0.512 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.562 3.939 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.551 3.725 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.300 4.304 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.538 6.057 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.608 5.536 -0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.473 6.022 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.450 6.641 -2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.832 8.583 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.508 8.277 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.931 8.620 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.864 7.203 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.228 7.119 0.691 1.00 0.00 H new ATOM 1482 N ASP A 112 -6.288 1.917 -3.232 1.00 0.00 N ATOM 1483 CA ASP A 112 -6.317 0.620 -3.970 1.00 0.00 C ATOM 1484 C ASP A 112 -5.289 0.673 -5.085 1.00 0.00 C ATOM 1485 O ASP A 112 -5.450 1.356 -6.066 1.00 0.00 O ATOM 1486 CB ASP A 112 -7.700 0.364 -4.598 1.00 0.00 C ATOM 1487 CG ASP A 112 -8.700 -0.175 -3.562 1.00 0.00 C ATOM 1488 OD1 ASP A 112 -8.283 -0.423 -2.448 1.00 0.00 O ATOM 1489 OD2 ASP A 112 -9.863 -0.298 -3.887 1.00 0.00 O ATOM 0 H ASP A 112 -6.802 2.677 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.098 -0.182 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -8.083 1.290 -5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.602 -0.350 -5.416 1.00 0.00 H new ATOM 1494 N ILE A 113 -4.233 -0.038 -4.936 1.00 0.00 N ATOM 1495 CA ILE A 113 -3.182 -0.041 -5.979 1.00 0.00 C ATOM 1496 C ILE A 113 -3.347 -1.251 -6.889 1.00 0.00 C ATOM 1497 O ILE A 113 -3.918 -2.250 -6.524 1.00 0.00 O ATOM 1498 CB ILE A 113 -1.821 -0.087 -5.305 1.00 0.00 C ATOM 1499 CG1 ILE A 113 -1.863 0.796 -4.049 1.00 0.00 C ATOM 1500 CG2 ILE A 113 -0.752 0.485 -6.341 1.00 0.00 C ATOM 1501 CD1 ILE A 113 -2.221 2.304 -4.446 1.00 0.00 C ATOM 0 H ILE A 113 -4.041 -0.629 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.267 0.862 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.555 -1.103 -5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.604 0.411 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.899 0.765 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.239 0.466 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.752 -0.130 -7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.012 1.511 -6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.248 2.920 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.464 2.690 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.196 2.330 -4.933 1.00 0.00 H new ATOM 1513 N VAL A 114 -2.865 -1.164 -8.086 1.00 0.00 N ATOM 1514 CA VAL A 114 -2.969 -2.324 -9.016 1.00 0.00 C ATOM 1515 C VAL A 114 -1.651 -3.089 -9.030 1.00 0.00 C ATOM 1516 O VAL A 114 -0.601 -2.551 -9.307 1.00 0.00 O ATOM 1517 CB VAL A 114 -3.286 -1.827 -10.438 1.00 0.00 C ATOM 1518 CG1 VAL A 114 -3.032 -3.009 -11.470 1.00 0.00 C ATOM 1519 CG2 VAL A 114 -4.826 -1.420 -10.537 1.00 0.00 C ATOM 0 H VAL A 114 -2.401 -0.340 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.769 -2.982 -8.677 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.652 -0.969 -10.663 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.255 -2.664 -12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -1.989 -3.322 -11.415 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -3.678 -3.852 -11.224 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -5.045 -1.069 -11.545 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.447 -2.287 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.039 -0.626 -9.822 1.00 0.00 H new ATOM 1529 N GLY A 115 -1.718 -4.341 -8.745 1.00 0.00 N ATOM 1530 CA GLY A 115 -0.489 -5.182 -8.716 1.00 0.00 C ATOM 1531 C GLY A 115 0.205 -5.032 -7.369 1.00 0.00 C ATOM 1532 O GLY A 115 -0.415 -4.883 -6.340 1.00 0.00 O ATOM 0 H GLY A 115 -2.582 -4.837 -8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -0.748 -6.227 -8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.186 -4.884 -9.519 1.00 0.00 H new ATOM 1536 N GLY A 116 1.495 -5.082 -7.375 1.00 0.00 N ATOM 1537 CA GLY A 116 2.266 -4.940 -6.107 1.00 0.00 C ATOM 1538 C GLY A 116 3.373 -5.993 -6.058 1.00 0.00 C ATOM 1539 O GLY A 116 4.474 -5.789 -6.513 1.00 0.00 O ATOM 0 H GLY A 116 2.064 -5.217 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 116 2.698 -3.941 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 116 1.602 -5.056 -5.251 1.00 0.00 H new ATOM 1543 N TYR A 117 3.058 -7.117 -5.512 1.00 0.00 N ATOM 1544 CA TYR A 117 4.034 -8.242 -5.392 1.00 0.00 C ATOM 1545 C TYR A 117 4.657 -8.527 -6.752 1.00 0.00 C ATOM 1546 O TYR A 117 5.836 -8.770 -6.879 1.00 0.00 O ATOM 1547 CB TYR A 117 3.248 -9.462 -4.909 1.00 0.00 C ATOM 1548 CG TYR A 117 4.133 -10.687 -4.745 1.00 0.00 C ATOM 1549 CD1 TYR A 117 4.856 -10.893 -3.554 1.00 0.00 C ATOM 1550 CD2 TYR A 117 4.246 -11.611 -5.796 1.00 0.00 C ATOM 1551 CE1 TYR A 117 5.695 -12.005 -3.429 1.00 0.00 C ATOM 1552 CE2 TYR A 117 5.087 -12.716 -5.668 1.00 0.00 C ATOM 1553 CZ TYR A 117 5.806 -12.928 -4.481 1.00 0.00 C ATOM 1554 OH TYR A 117 6.632 -14.028 -4.362 1.00 0.00 O ATOM 0 H TYR A 117 2.136 -7.321 -5.127 1.00 0.00 H new ATOM 0 HA TYR A 117 4.836 -7.997 -4.696 1.00 0.00 H new ATOM 0 HB2 TYR A 117 2.770 -9.231 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.452 -9.684 -5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 117 4.763 -10.192 -2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 117 3.681 -11.466 -6.705 1.00 0.00 H new ATOM 0 HE1 TYR A 117 6.259 -12.154 -2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.186 -13.413 -6.487 1.00 0.00 H new ATOM 0 HH TYR A 117 6.587 -14.561 -5.183 1.00 0.00 H new ATOM 1564 N SER A 118 3.862 -8.505 -7.769 1.00 0.00 N ATOM 1565 CA SER A 118 4.386 -8.779 -9.138 1.00 0.00 C ATOM 1566 C SER A 118 5.491 -7.792 -9.461 1.00 0.00 C ATOM 1567 O SER A 118 6.535 -8.142 -9.959 1.00 0.00 O ATOM 1568 CB SER A 118 3.254 -8.646 -10.159 1.00 0.00 C ATOM 1569 OG SER A 118 3.697 -9.108 -11.428 1.00 0.00 O ATOM 0 H SER A 118 2.862 -8.308 -7.720 1.00 0.00 H new ATOM 0 HA SER A 118 4.785 -9.793 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 118 2.388 -9.222 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 118 2.936 -7.606 -10.231 1.00 0.00 H new ATOM 0 HG SER A 118 2.970 -9.023 -12.079 1.00 0.00 H new ATOM 1575 N ALA A 119 5.274 -6.558 -9.169 1.00 0.00 N ATOM 1576 CA ALA A 119 6.315 -5.535 -9.452 1.00 0.00 C ATOM 1577 C ALA A 119 7.437 -5.677 -8.431 1.00 0.00 C ATOM 1578 O ALA A 119 8.589 -5.797 -8.764 1.00 0.00 O ATOM 1579 CB ALA A 119 5.665 -4.091 -9.333 1.00 0.00 C ATOM 0 H ALA A 119 4.418 -6.202 -8.744 1.00 0.00 H new ATOM 0 HA ALA A 119 6.716 -5.672 -10.456 1.00 0.00 H new ATOM 0 HB1 ALA A 119 6.421 -3.333 -9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.852 -3.997 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.275 -3.950 -8.325 1.00 0.00 H new ATOM 1585 N TRP A 120 7.097 -5.674 -7.175 1.00 0.00 N ATOM 1586 CA TRP A 120 8.136 -5.811 -6.106 1.00 0.00 C ATOM 1587 C TRP A 120 8.868 -7.119 -6.357 1.00 0.00 C ATOM 1588 O TRP A 120 10.057 -7.237 -6.179 1.00 0.00 O ATOM 1589 CB TRP A 120 7.444 -5.821 -4.719 1.00 0.00 C ATOM 1590 CG TRP A 120 8.329 -5.220 -3.663 1.00 0.00 C ATOM 1591 CD1 TRP A 120 8.744 -5.839 -2.520 1.00 0.00 C ATOM 1592 CD2 TRP A 120 8.879 -3.883 -3.616 1.00 0.00 C ATOM 1593 NE1 TRP A 120 9.510 -4.941 -1.796 1.00 0.00 N ATOM 1594 CE2 TRP A 120 9.609 -3.721 -2.419 1.00 0.00 C ATOM 1595 CE3 TRP A 120 8.774 -2.781 -4.476 1.00 0.00 C ATOM 1596 CZ2 TRP A 120 10.275 -2.523 -2.123 1.00 0.00 C ATOM 1597 CZ3 TRP A 120 9.431 -1.574 -4.193 1.00 0.00 C ATOM 1598 CH2 TRP A 120 10.157 -1.439 -2.997 1.00 0.00 C ATOM 0 H TRP A 120 6.140 -5.582 -6.835 1.00 0.00 H new ATOM 0 HA TRP A 120 8.842 -4.980 -6.123 1.00 0.00 H new ATOM 0 HB2 TRP A 120 6.509 -5.264 -4.773 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.190 -6.845 -4.444 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.515 -6.854 -2.230 1.00 0.00 H new ATOM 0 HE1 TRP A 120 9.950 -5.160 -0.902 1.00 0.00 H new ATOM 0 HE3 TRP A 120 8.177 -2.862 -5.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 10.874 -2.439 -1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 9.379 -0.752 -4.891 1.00 0.00 H new ATOM 0 HH2 TRP A 120 10.624 -0.496 -2.753 1.00 0.00 H new ATOM 1609 N ALA A 121 8.165 -8.101 -6.814 1.00 0.00 N ATOM 1610 CA ALA A 121 8.817 -9.405 -7.124 1.00 0.00 C ATOM 1611 C ALA A 121 9.821 -9.196 -8.249 1.00 0.00 C ATOM 1612 O ALA A 121 10.826 -9.857 -8.342 1.00 0.00 O ATOM 1613 CB ALA A 121 7.711 -10.442 -7.597 1.00 0.00 C ATOM 0 H ALA A 121 7.161 -8.065 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 121 9.324 -9.789 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 121 8.182 -11.398 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 121 6.978 -10.580 -6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.213 -10.061 -8.489 1.00 0.00 H new ATOM 1619 N LYS A 122 9.550 -8.268 -9.117 1.00 0.00 N ATOM 1620 CA LYS A 122 10.489 -7.993 -10.241 1.00 0.00 C ATOM 1621 C LYS A 122 11.849 -7.649 -9.635 1.00 0.00 C ATOM 1622 O LYS A 122 12.884 -8.028 -10.133 1.00 0.00 O ATOM 1623 CB LYS A 122 9.958 -6.820 -11.076 1.00 0.00 C ATOM 1624 CG LYS A 122 10.778 -6.701 -12.357 1.00 0.00 C ATOM 1625 CD LYS A 122 10.130 -5.668 -13.292 1.00 0.00 C ATOM 1626 CE LYS A 122 9.950 -4.336 -12.559 1.00 0.00 C ATOM 1627 NZ LYS A 122 11.199 -4.099 -11.645 1.00 0.00 N ATOM 0 H LYS A 122 8.715 -7.683 -9.099 1.00 0.00 H new ATOM 0 HA LYS A 122 10.582 -8.860 -10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.907 -6.977 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 122 10.019 -5.894 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.799 -6.402 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 122 10.837 -7.669 -12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.752 -5.525 -14.176 1.00 0.00 H new ATOM 0 HD3 LYS A 122 9.164 -6.035 -13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.844 -3.521 -13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.040 -4.354 -11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.359 -3.077 -11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 11.033 -4.527 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 12.036 -4.535 -12.081 1.00 0.00 H new ATOM 1641 N ASN A 123 11.857 -6.964 -8.526 1.00 0.00 N ATOM 1642 CA ASN A 123 13.157 -6.627 -7.852 1.00 0.00 C ATOM 1643 C ASN A 123 13.798 -7.922 -7.372 1.00 0.00 C ATOM 1644 O ASN A 123 14.851 -8.317 -7.815 1.00 0.00 O ATOM 1645 CB ASN A 123 12.888 -5.747 -6.631 1.00 0.00 C ATOM 1646 CG ASN A 123 12.309 -4.402 -7.036 1.00 0.00 C ATOM 1647 OD1 ASN A 123 12.386 -3.998 -8.175 1.00 0.00 O ATOM 1648 ND2 ASN A 123 11.737 -3.678 -6.129 1.00 0.00 N ATOM 0 H ASN A 123 11.022 -6.619 -8.051 1.00 0.00 H new ATOM 0 HA ASN A 123 13.808 -6.103 -8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 123 12.197 -6.255 -5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.815 -5.595 -6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 123 11.350 -2.766 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 123 11.673 -4.019 -5.170 1.00 0.00 H new ATOM 1655 N GLY A 124 13.166 -8.576 -6.447 1.00 0.00 N ATOM 1656 CA GLY A 124 13.714 -9.856 -5.908 1.00 0.00 C ATOM 1657 C GLY A 124 14.279 -9.599 -4.511 1.00 0.00 C ATOM 1658 O GLY A 124 15.234 -10.208 -4.091 1.00 0.00 O ATOM 0 H GLY A 124 12.282 -8.280 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 124 12.931 -10.614 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 124 14.494 -10.240 -6.566 1.00 0.00 H new ATOM 1662 N LEU A 125 13.689 -8.702 -3.785 1.00 0.00 N ATOM 1663 CA LEU A 125 14.196 -8.403 -2.413 1.00 0.00 C ATOM 1664 C LEU A 125 13.049 -8.531 -1.409 1.00 0.00 C ATOM 1665 O LEU A 125 12.437 -7.556 -1.036 1.00 0.00 O ATOM 1666 CB LEU A 125 14.767 -6.976 -2.372 1.00 0.00 C ATOM 1667 CG LEU A 125 16.094 -6.949 -3.146 1.00 0.00 C ATOM 1668 CD1 LEU A 125 16.372 -5.473 -3.675 1.00 0.00 C ATOM 1669 CD2 LEU A 125 17.288 -7.352 -2.163 1.00 0.00 C ATOM 0 H LEU A 125 12.876 -8.159 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 125 14.984 -9.110 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.059 -6.274 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.926 -6.663 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 125 16.032 -7.647 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 125 17.313 -5.455 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.561 -5.164 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.432 -4.788 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.231 -7.334 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.334 -6.643 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.115 -8.355 -1.772 1.00 0.00 H new ATOM 1681 N PRO A 126 12.729 -9.733 -1.027 1.00 0.00 N ATOM 1682 CA PRO A 126 11.635 -9.991 -0.061 1.00 0.00 C ATOM 1683 C PRO A 126 12.120 -10.137 1.365 1.00 0.00 C ATOM 1684 O PRO A 126 12.867 -11.034 1.700 1.00 0.00 O ATOM 1685 CB PRO A 126 11.009 -11.301 -0.561 1.00 0.00 C ATOM 1686 CG PRO A 126 12.039 -11.983 -1.399 1.00 0.00 C ATOM 1687 CD PRO A 126 13.266 -11.064 -1.497 1.00 0.00 C ATOM 0 HA PRO A 126 10.935 -9.157 -0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 126 10.714 -11.932 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 126 10.109 -11.101 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 126 12.316 -12.940 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 126 11.642 -12.194 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 126 14.084 -11.414 -0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 126 13.649 -11.008 -2.516 1.00 0.00 H new ATOM 1695 N THR A 127 11.729 -9.256 2.215 1.00 0.00 N ATOM 1696 CA THR A 127 12.159 -9.354 3.623 1.00 0.00 C ATOM 1697 C THR A 127 11.107 -10.123 4.410 1.00 0.00 C ATOM 1698 O THR A 127 9.926 -9.878 4.311 1.00 0.00 O ATOM 1699 CB THR A 127 12.313 -7.928 4.156 1.00 0.00 C ATOM 1700 OG1 THR A 127 13.316 -7.233 3.426 1.00 0.00 O ATOM 1701 CG2 THR A 127 12.747 -8.002 5.679 1.00 0.00 C ATOM 0 H THR A 127 11.125 -8.463 1.998 1.00 0.00 H new ATOM 0 HA THR A 127 13.107 -9.884 3.719 1.00 0.00 H new ATOM 0 HB THR A 127 11.366 -7.400 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 127 13.200 -6.268 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 127 12.861 -6.993 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 127 11.984 -8.531 6.250 1.00 0.00 H new ATOM 0 HG23 THR A 127 13.695 -8.533 5.762 1.00 0.00 H new ATOM 1709 N LYS A 128 11.535 -11.064 5.182 1.00 0.00 N ATOM 1710 CA LYS A 128 10.580 -11.891 5.956 1.00 0.00 C ATOM 1711 C LYS A 128 11.361 -12.838 6.850 1.00 0.00 C ATOM 1712 O LYS A 128 12.552 -12.988 6.741 1.00 0.00 O ATOM 1713 CB LYS A 128 9.681 -12.688 4.991 1.00 0.00 C ATOM 1714 CG LYS A 128 10.502 -13.663 4.125 1.00 0.00 C ATOM 1715 CD LYS A 128 11.343 -12.887 3.120 1.00 0.00 C ATOM 1716 CE LYS A 128 11.737 -13.804 1.968 1.00 0.00 C ATOM 1717 NZ LYS A 128 12.337 -15.117 2.566 1.00 0.00 N ATOM 0 H LYS A 128 12.518 -11.302 5.315 1.00 0.00 H new ATOM 0 HA LYS A 128 9.948 -11.251 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 128 8.938 -13.245 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 128 9.137 -11.998 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 128 11.148 -14.270 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 128 9.835 -14.347 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 128 10.781 -12.033 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.235 -12.492 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 128 10.868 -14.031 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 128 12.466 -13.312 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 12.867 -15.624 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 12.976 -14.880 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 11.567 -15.722 2.916 1.00 0.00 H new ATOM 1731 N ALA A 129 10.705 -13.446 7.766 1.00 0.00 N ATOM 1732 CA ALA A 129 11.401 -14.362 8.704 1.00 0.00 C ATOM 1733 C ALA A 129 11.713 -15.701 8.002 1.00 0.00 C ATOM 1734 CB ALA A 129 10.423 -14.608 9.944 1.00 0.00 C ATOM 0 H ALA A 129 9.700 -13.354 7.918 1.00 0.00 H new ATOM 0 HA ALA A 129 12.344 -13.928 9.038 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.902 -15.279 10.657 1.00 0.00 H new ATOM 0 HB2 ALA A 129 10.205 -13.657 10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 129 9.494 -15.056 9.591 1.00 0.00 H new TER 1740 ALA A 129