USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 815 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 42 LYS NZ :NH3+ -177:sc= 0.127 (180deg=-0.324) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0.439 USER MOD Set 2.1: A 25 GLN : amide:sc= -3.76! C(o=-4.4!,f=-12!) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= -0.672 USER MOD Single : A 1 ARG N :NH3+ 174:sc= 0.981 (180deg=0.954) USER MOD Single : A 4 SER OG : rot 180:sc= -0.299 USER MOD Single : A 7 SER OG : rot 62:sc= 0.751 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.26) USER MOD Single : A 13 SER OG : rot 180:sc= -0.618 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -136:sc= -0.0994 (180deg=-0.867) USER MOD Single : A 17 SER OG : rot -61:sc= -2.26! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 138:sc= 0.656 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -108:sc= 0.981 (180deg=-0.19) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.05 F(o=-2,f=-0.05) USER MOD Single : A 56 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.75!) USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.0783 (180deg=-0.656) USER MOD Single : A 59 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.012) USER MOD Single : A 64 HIS : no HE2:sc= 0.11 K(o=0.11,f=-0.72) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -151:sc= -0.738 (180deg=-0.857) USER MOD Single : A 71 TYR OH : rot -63:sc= 0.0184 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.204! C(o=-0.2!,f=-10!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 110:sc= -0.881 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0162 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -149:sc= -0.99 (180deg=-4.26!) USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0758) USER MOD Single : A 98 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.57) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.094 22.036 -6.642 1.00 0.00 N ATOM 2 CA ARG A 1 1.686 20.729 -7.043 1.00 0.00 C ATOM 3 C ARG A 1 2.886 20.430 -6.139 1.00 0.00 C ATOM 4 O ARG A 1 2.818 20.633 -4.928 1.00 0.00 O ATOM 5 CB ARG A 1 2.113 20.805 -8.525 1.00 0.00 C ATOM 6 CG ARG A 1 2.008 19.417 -9.190 1.00 0.00 C ATOM 7 CD ARG A 1 0.574 19.175 -9.678 1.00 0.00 C ATOM 8 NE ARG A 1 0.479 17.885 -10.353 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.682 17.442 -10.827 1.00 0.00 C ATOM 10 NH1 ARG A 1 -1.757 18.173 -10.705 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.744 16.279 -11.416 1.00 0.00 N ATOM 0 H1 ARG A 1 0.343 22.297 -7.312 1.00 0.00 H new ATOM 0 H2 ARG A 1 0.692 21.956 -5.686 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.833 22.768 -6.647 1.00 0.00 H new ATOM 0 HA ARG A 1 0.958 19.925 -6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.481 21.517 -9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.137 21.172 -8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.702 19.353 -10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.295 18.642 -8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -0.114 19.202 -8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 1 0.275 19.972 -10.359 1.00 0.00 H new ATOM 0 HE ARG A 1 1.317 17.314 -10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -1.706 19.083 -10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -2.648 17.834 -11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.097 15.711 -11.512 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -1.634 15.938 -11.780 1.00 0.00 H new ATOM 25 N GLU A 2 3.983 19.957 -6.735 1.00 0.00 N ATOM 26 CA GLU A 2 5.197 19.643 -5.977 1.00 0.00 C ATOM 27 C GLU A 2 5.088 18.254 -5.329 1.00 0.00 C ATOM 28 O GLU A 2 4.777 18.136 -4.145 1.00 0.00 O ATOM 29 CB GLU A 2 5.443 20.720 -4.897 1.00 0.00 C ATOM 30 CG GLU A 2 6.946 20.847 -4.614 1.00 0.00 C ATOM 31 CD GLU A 2 7.524 19.489 -4.236 1.00 0.00 C ATOM 32 OE1 GLU A 2 7.005 18.886 -3.312 1.00 0.00 O ATOM 33 OE2 GLU A 2 8.477 19.072 -4.872 1.00 0.00 O ATOM 0 H GLU A 2 4.056 19.783 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 2 6.042 19.634 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.045 21.678 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.913 20.456 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.458 21.237 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.113 21.560 -3.806 1.00 0.00 H new ATOM 40 N PRO A 3 5.347 17.209 -6.079 1.00 0.00 N ATOM 41 CA PRO A 3 5.295 15.819 -5.592 1.00 0.00 C ATOM 42 C PRO A 3 6.701 15.329 -5.277 1.00 0.00 C ATOM 43 O PRO A 3 7.629 16.131 -5.178 1.00 0.00 O ATOM 44 CB PRO A 3 4.704 15.085 -6.794 1.00 0.00 C ATOM 45 CG PRO A 3 5.240 15.828 -7.996 1.00 0.00 C ATOM 46 CD PRO A 3 5.733 17.204 -7.492 1.00 0.00 C ATOM 0 HA PRO A 3 4.720 15.678 -4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.007 14.038 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.614 15.101 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.055 15.273 -8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.464 15.949 -8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.811 17.314 -7.614 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.265 18.023 -8.039 1.00 0.00 H new ATOM 54 N SER A 4 6.872 14.025 -5.132 1.00 0.00 N ATOM 55 CA SER A 4 8.198 13.499 -4.843 1.00 0.00 C ATOM 56 C SER A 4 8.236 11.981 -5.045 1.00 0.00 C ATOM 57 O SER A 4 7.229 11.379 -5.416 1.00 0.00 O ATOM 58 CB SER A 4 8.583 13.875 -3.408 1.00 0.00 C ATOM 59 OG SER A 4 8.424 12.743 -2.560 1.00 0.00 O ATOM 0 H SER A 4 6.132 13.327 -5.207 1.00 0.00 H new ATOM 0 HA SER A 4 8.920 13.936 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.615 14.223 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.959 14.696 -3.056 1.00 0.00 H new ATOM 0 HG SER A 4 8.672 12.984 -1.643 1.00 0.00 H new ATOM 65 N PRO A 5 9.371 11.353 -4.825 1.00 0.00 N ATOM 66 CA PRO A 5 9.514 9.877 -5.009 1.00 0.00 C ATOM 67 C PRO A 5 8.689 9.087 -3.984 1.00 0.00 C ATOM 68 O PRO A 5 8.060 9.670 -3.100 1.00 0.00 O ATOM 69 CB PRO A 5 11.029 9.606 -4.849 1.00 0.00 C ATOM 70 CG PRO A 5 11.696 10.954 -4.814 1.00 0.00 C ATOM 71 CD PRO A 5 10.633 11.966 -4.384 1.00 0.00 C ATOM 0 HA PRO A 5 9.139 9.554 -5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.230 9.049 -3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.407 9.006 -5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.533 10.953 -4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.099 11.211 -5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.645 12.126 -3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.792 12.937 -4.852 1.00 0.00 H new ATOM 79 N PRO A 6 8.679 7.779 -4.096 1.00 0.00 N ATOM 80 CA PRO A 6 7.918 6.886 -3.168 1.00 0.00 C ATOM 81 C PRO A 6 8.022 7.282 -1.695 1.00 0.00 C ATOM 82 O PRO A 6 8.704 8.242 -1.334 1.00 0.00 O ATOM 83 CB PRO A 6 8.535 5.513 -3.440 1.00 0.00 C ATOM 84 CG PRO A 6 8.861 5.566 -4.884 1.00 0.00 C ATOM 85 CD PRO A 6 9.385 6.986 -5.123 1.00 0.00 C ATOM 0 HA PRO A 6 6.844 6.932 -3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.424 5.344 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.837 4.707 -3.214 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.611 4.820 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.981 5.362 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.467 7.042 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.157 7.336 -6.130 1.00 0.00 H new ATOM 93 N SER A 7 7.296 6.540 -0.862 1.00 0.00 N ATOM 94 CA SER A 7 7.243 6.804 0.573 1.00 0.00 C ATOM 95 C SER A 7 6.460 5.679 1.251 1.00 0.00 C ATOM 96 O SER A 7 5.464 5.916 1.937 1.00 0.00 O ATOM 97 CB SER A 7 6.534 8.145 0.777 1.00 0.00 C ATOM 98 OG SER A 7 7.499 9.190 0.822 1.00 0.00 O ATOM 0 H SER A 7 6.732 5.744 -1.160 1.00 0.00 H new ATOM 0 HA SER A 7 8.243 6.847 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.828 8.322 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.958 8.127 1.702 1.00 0.00 H new ATOM 0 HG SER A 7 7.976 9.232 -0.033 1.00 0.00 H new ATOM 104 N ILE A 8 6.886 4.443 1.009 1.00 0.00 N ATOM 105 CA ILE A 8 6.192 3.275 1.548 1.00 0.00 C ATOM 106 C ILE A 8 7.178 2.321 2.210 1.00 0.00 C ATOM 107 O ILE A 8 8.193 1.959 1.617 1.00 0.00 O ATOM 108 CB ILE A 8 5.497 2.538 0.393 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.650 3.517 -0.447 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.612 1.419 0.942 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.318 3.845 0.215 1.00 0.00 C ATOM 0 H ILE A 8 7.707 4.223 0.445 1.00 0.00 H new ATOM 0 HA ILE A 8 5.467 3.607 2.291 1.00 0.00 H new ATOM 0 HB ILE A 8 6.263 2.105 -0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.212 4.438 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.467 3.084 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.124 0.903 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.225 0.711 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.856 1.844 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.759 4.537 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.742 2.929 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.498 4.304 1.187 1.00 0.00 H new ATOM 123 N HIS A 9 6.861 1.901 3.432 1.00 0.00 N ATOM 124 CA HIS A 9 7.716 0.960 4.167 1.00 0.00 C ATOM 125 C HIS A 9 6.915 -0.292 4.512 1.00 0.00 C ATOM 126 O HIS A 9 5.960 -0.228 5.282 1.00 0.00 O ATOM 127 CB HIS A 9 8.220 1.625 5.464 1.00 0.00 C ATOM 128 CG HIS A 9 9.582 1.089 5.830 1.00 0.00 C ATOM 129 ND1 HIS A 9 9.754 0.077 6.762 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.841 1.410 5.389 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.074 -0.172 6.851 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.781 0.611 6.032 1.00 0.00 N ATOM 0 H HIS A 9 6.024 2.193 3.936 1.00 0.00 H new ATOM 0 HA HIS A 9 8.569 0.685 3.547 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.270 2.706 5.331 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.517 1.436 6.275 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.068 2.168 4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.508 -0.914 7.505 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.793 0.621 5.905 1.00 0.00 H new ATOM 140 N GLY A 10 7.312 -1.431 3.950 1.00 0.00 N ATOM 141 CA GLY A 10 6.615 -2.689 4.216 1.00 0.00 C ATOM 142 C GLY A 10 7.281 -3.457 5.346 1.00 0.00 C ATOM 143 O GLY A 10 8.501 -3.431 5.500 1.00 0.00 O ATOM 0 H GLY A 10 8.105 -1.510 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.576 -2.485 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.605 -3.300 3.314 1.00 0.00 H new ATOM 147 N GLN A 11 6.459 -4.146 6.131 1.00 0.00 N ATOM 148 CA GLN A 11 6.946 -4.938 7.259 1.00 0.00 C ATOM 149 C GLN A 11 6.047 -6.172 7.434 1.00 0.00 C ATOM 150 O GLN A 11 4.883 -6.028 7.806 1.00 0.00 O ATOM 151 CB GLN A 11 6.911 -4.091 8.546 1.00 0.00 C ATOM 152 CG GLN A 11 8.178 -3.237 8.654 1.00 0.00 C ATOM 153 CD GLN A 11 9.383 -4.127 8.939 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.580 -4.562 10.074 1.00 0.00 O ATOM 155 NE2 GLN A 11 10.207 -4.425 7.972 1.00 0.00 N ATOM 0 H GLN A 11 5.447 -4.173 6.007 1.00 0.00 H new ATOM 0 HA GLN A 11 7.972 -5.252 7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.030 -3.449 8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.828 -4.742 9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.334 -2.685 7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.063 -2.500 9.449 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.042 -4.064 7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.016 -5.019 8.156 1.00 0.00 H new ATOM 164 N PRO A 12 6.532 -7.369 7.174 1.00 0.00 N ATOM 165 CA PRO A 12 5.695 -8.594 7.319 1.00 0.00 C ATOM 166 C PRO A 12 4.949 -8.644 8.651 1.00 0.00 C ATOM 167 O PRO A 12 5.506 -9.055 9.669 1.00 0.00 O ATOM 168 CB PRO A 12 6.708 -9.746 7.210 1.00 0.00 C ATOM 169 CG PRO A 12 7.837 -9.196 6.401 1.00 0.00 C ATOM 170 CD PRO A 12 7.899 -7.697 6.718 1.00 0.00 C ATOM 0 HA PRO A 12 4.910 -8.637 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.048 -10.066 8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.264 -10.617 6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.775 -9.687 6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.671 -9.362 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.639 -7.483 7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.177 -7.115 5.839 1.00 0.00 H new ATOM 178 N SER A 13 3.679 -8.252 8.630 1.00 0.00 N ATOM 179 CA SER A 13 2.866 -8.289 9.834 1.00 0.00 C ATOM 180 C SER A 13 2.442 -9.726 10.110 1.00 0.00 C ATOM 181 O SER A 13 2.666 -10.609 9.282 1.00 0.00 O ATOM 182 CB SER A 13 1.624 -7.409 9.661 1.00 0.00 C ATOM 183 OG SER A 13 0.657 -7.766 10.639 1.00 0.00 O ATOM 0 H SER A 13 3.197 -7.909 7.799 1.00 0.00 H new ATOM 0 HA SER A 13 3.450 -7.910 10.673 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.892 -6.357 9.764 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.210 -7.536 8.660 1.00 0.00 H new ATOM 0 HG SER A 13 -0.139 -7.204 10.533 1.00 0.00 H new ATOM 189 N SER A 14 1.838 -9.967 11.265 1.00 0.00 N ATOM 190 CA SER A 14 1.410 -11.319 11.594 1.00 0.00 C ATOM 191 C SER A 14 0.445 -11.830 10.527 1.00 0.00 C ATOM 192 O SER A 14 -0.463 -11.113 10.104 1.00 0.00 O ATOM 193 CB SER A 14 0.731 -11.335 12.966 1.00 0.00 C ATOM 194 OG SER A 14 1.729 -11.273 13.978 1.00 0.00 O ATOM 0 H SER A 14 1.637 -9.263 11.975 1.00 0.00 H new ATOM 0 HA SER A 14 2.283 -11.971 11.626 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.049 -10.490 13.058 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.135 -12.240 13.080 1.00 0.00 H new ATOM 0 HG SER A 14 1.302 -11.281 14.860 1.00 0.00 H new ATOM 200 N GLY A 15 0.653 -13.070 10.091 1.00 0.00 N ATOM 201 CA GLY A 15 -0.196 -13.664 9.062 1.00 0.00 C ATOM 202 C GLY A 15 0.320 -13.324 7.665 1.00 0.00 C ATOM 203 O GLY A 15 1.510 -13.063 7.481 1.00 0.00 O ATOM 0 H GLY A 15 1.397 -13.679 10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.226 -14.746 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.218 -13.302 9.175 1.00 0.00 H new ATOM 207 N LYS A 16 -0.582 -13.331 6.685 1.00 0.00 N ATOM 208 CA LYS A 16 -0.221 -13.021 5.297 1.00 0.00 C ATOM 209 C LYS A 16 -0.581 -11.578 4.995 1.00 0.00 C ATOM 210 O LYS A 16 -1.178 -11.270 3.963 1.00 0.00 O ATOM 211 CB LYS A 16 -0.959 -13.979 4.334 1.00 0.00 C ATOM 212 CG LYS A 16 -1.298 -15.284 5.073 1.00 0.00 C ATOM 213 CD LYS A 16 -1.596 -16.415 4.078 1.00 0.00 C ATOM 214 CE LYS A 16 -2.953 -16.185 3.403 1.00 0.00 C ATOM 215 NZ LYS A 16 -4.029 -16.185 4.435 1.00 0.00 N ATOM 0 H LYS A 16 -1.569 -13.548 6.823 1.00 0.00 H new ATOM 0 HA LYS A 16 0.852 -13.155 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.871 -13.510 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.335 -14.191 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.465 -15.570 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.161 -15.127 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.810 -16.462 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.598 -17.374 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.948 -15.236 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.141 -16.966 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.836 -16.745 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.665 -16.602 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.337 -15.208 4.616 1.00 0.00 H new ATOM 229 N SER A 17 -0.209 -10.696 5.916 1.00 0.00 N ATOM 230 CA SER A 17 -0.477 -9.271 5.776 1.00 0.00 C ATOM 231 C SER A 17 0.835 -8.498 5.784 1.00 0.00 C ATOM 232 O SER A 17 1.809 -8.922 6.404 1.00 0.00 O ATOM 233 CB SER A 17 -1.368 -8.795 6.923 1.00 0.00 C ATOM 234 OG SER A 17 -1.974 -7.568 6.553 1.00 0.00 O ATOM 0 H SER A 17 0.283 -10.947 6.774 1.00 0.00 H new ATOM 0 HA SER A 17 -0.990 -9.094 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.131 -9.542 7.143 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.778 -8.666 7.830 1.00 0.00 H new ATOM 0 HG SER A 17 -1.279 -6.896 6.391 1.00 0.00 H new ATOM 240 N PHE A 18 0.859 -7.368 5.082 1.00 0.00 N ATOM 241 CA PHE A 18 2.065 -6.542 5.002 1.00 0.00 C ATOM 242 C PHE A 18 1.742 -5.102 5.396 1.00 0.00 C ATOM 243 O PHE A 18 0.913 -4.445 4.764 1.00 0.00 O ATOM 244 CB PHE A 18 2.627 -6.609 3.560 1.00 0.00 C ATOM 245 CG PHE A 18 4.106 -6.938 3.575 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.522 -8.274 3.539 1.00 0.00 C ATOM 247 CD2 PHE A 18 5.055 -5.910 3.626 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.887 -8.581 3.553 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.420 -6.223 3.642 1.00 0.00 C ATOM 250 CZ PHE A 18 6.834 -7.551 3.605 1.00 0.00 C ATOM 0 H PHE A 18 0.061 -7.003 4.562 1.00 0.00 H new ATOM 0 HA PHE A 18 2.818 -6.918 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.087 -7.365 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.467 -5.655 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.790 -9.067 3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.735 -4.879 3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.210 -9.611 3.524 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.153 -5.431 3.683 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.888 -7.788 3.616 1.00 0.00 H new ATOM 260 N LYS A 19 2.403 -4.626 6.442 1.00 0.00 N ATOM 261 CA LYS A 19 2.183 -3.267 6.916 1.00 0.00 C ATOM 262 C LYS A 19 2.964 -2.272 6.070 1.00 0.00 C ATOM 263 O LYS A 19 4.156 -2.062 6.294 1.00 0.00 O ATOM 264 CB LYS A 19 2.645 -3.138 8.372 1.00 0.00 C ATOM 265 CG LYS A 19 2.288 -1.729 8.934 1.00 0.00 C ATOM 266 CD LYS A 19 3.501 -1.121 9.646 1.00 0.00 C ATOM 267 CE LYS A 19 3.173 0.301 10.106 1.00 0.00 C ATOM 268 NZ LYS A 19 4.366 0.885 10.781 1.00 0.00 N ATOM 0 H LYS A 19 3.092 -5.157 6.975 1.00 0.00 H new ATOM 0 HA LYS A 19 1.117 -3.051 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.172 -3.909 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.721 -3.299 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.968 -1.076 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.451 -1.807 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.777 -1.736 10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.359 -1.107 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.886 0.915 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.324 0.288 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.148 1.852 11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.619 0.302 11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.164 0.909 10.115 1.00 0.00 H new ATOM 282 N LEU A 20 2.289 -1.643 5.115 1.00 0.00 N ATOM 283 CA LEU A 20 2.939 -0.651 4.262 1.00 0.00 C ATOM 284 C LEU A 20 2.699 0.732 4.866 1.00 0.00 C ATOM 285 O LEU A 20 1.620 1.302 4.710 1.00 0.00 O ATOM 286 CB LEU A 20 2.372 -0.701 2.830 1.00 0.00 C ATOM 287 CG LEU A 20 2.107 -2.154 2.379 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.136 -2.139 1.199 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.419 -2.806 1.930 1.00 0.00 C ATOM 0 H LEU A 20 1.302 -1.799 4.912 1.00 0.00 H new ATOM 0 HA LEU A 20 4.007 -0.864 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.445 -0.129 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.073 -0.227 2.143 1.00 0.00 H new ATOM 0 HG LEU A 20 1.685 -2.719 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.943 -3.161 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.199 -1.672 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.572 -1.573 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.226 -3.831 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.840 -2.242 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.126 -2.810 2.760 1.00 0.00 H new ATOM 301 N SER A 21 3.694 1.259 5.574 1.00 0.00 N ATOM 302 CA SER A 21 3.550 2.559 6.205 1.00 0.00 C ATOM 303 C SER A 21 3.612 3.673 5.174 1.00 0.00 C ATOM 304 O SER A 21 4.575 3.768 4.416 1.00 0.00 O ATOM 305 CB SER A 21 4.658 2.770 7.237 1.00 0.00 C ATOM 306 OG SER A 21 4.542 4.078 7.783 1.00 0.00 O ATOM 0 H SER A 21 4.597 0.809 5.722 1.00 0.00 H new ATOM 0 HA SER A 21 2.578 2.586 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.582 2.024 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.635 2.642 6.771 1.00 0.00 H new ATOM 0 HG SER A 21 5.249 4.219 8.447 1.00 0.00 H new ATOM 312 N ILE A 22 2.599 4.536 5.166 1.00 0.00 N ATOM 313 CA ILE A 22 2.588 5.651 4.235 1.00 0.00 C ATOM 314 C ILE A 22 3.306 6.818 4.908 1.00 0.00 C ATOM 315 O ILE A 22 2.810 7.366 5.890 1.00 0.00 O ATOM 316 CB ILE A 22 1.135 6.072 3.890 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.159 4.889 4.008 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.084 6.604 2.461 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.466 3.798 2.976 1.00 0.00 C ATOM 0 H ILE A 22 1.790 4.484 5.784 1.00 0.00 H new ATOM 0 HA ILE A 22 3.083 5.362 3.308 1.00 0.00 H new ATOM 0 HB ILE A 22 0.836 6.843 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.217 4.468 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.862 5.244 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.063 6.900 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.743 7.468 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.409 5.825 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.244 2.979 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.382 4.213 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.478 3.425 3.131 1.00 0.00 H new ATOM 331 N THR A 23 4.469 7.196 4.393 1.00 0.00 N ATOM 332 CA THR A 23 5.217 8.297 4.986 1.00 0.00 C ATOM 333 C THR A 23 4.746 9.611 4.419 1.00 0.00 C ATOM 334 O THR A 23 4.410 9.714 3.243 1.00 0.00 O ATOM 335 CB THR A 23 6.719 8.127 4.748 1.00 0.00 C ATOM 336 OG1 THR A 23 7.137 6.862 5.242 1.00 0.00 O ATOM 337 CG2 THR A 23 7.476 9.234 5.475 1.00 0.00 C ATOM 0 H THR A 23 4.909 6.765 3.580 1.00 0.00 H new ATOM 0 HA THR A 23 5.039 8.291 6.061 1.00 0.00 H new ATOM 0 HB THR A 23 6.927 8.185 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.099 6.752 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.546 9.114 5.306 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.155 10.204 5.095 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.268 9.176 6.543 1.00 0.00 H new ATOM 345 N LYS A 24 4.721 10.608 5.276 1.00 0.00 N ATOM 346 CA LYS A 24 4.302 11.927 4.882 1.00 0.00 C ATOM 347 C LYS A 24 5.412 12.549 4.046 1.00 0.00 C ATOM 348 O LYS A 24 6.495 12.841 4.543 1.00 0.00 O ATOM 349 CB LYS A 24 3.997 12.730 6.168 1.00 0.00 C ATOM 350 CG LYS A 24 4.131 14.273 5.977 1.00 0.00 C ATOM 351 CD LYS A 24 5.088 14.855 7.029 1.00 0.00 C ATOM 352 CE LYS A 24 6.541 14.486 6.690 1.00 0.00 C ATOM 353 NZ LYS A 24 7.458 15.177 7.640 1.00 0.00 N ATOM 0 H LYS A 24 4.989 10.525 6.257 1.00 0.00 H new ATOM 0 HA LYS A 24 3.399 11.915 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.985 12.498 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.675 12.408 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.502 14.492 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.152 14.744 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.981 15.939 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.830 14.473 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.679 13.407 6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.773 14.777 5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.443 14.930 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.332 16.206 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.240 14.878 8.612 1.00 0.00 H new ATOM 367 N GLN A 25 5.129 12.750 2.771 1.00 0.00 N ATOM 368 CA GLN A 25 6.097 13.356 1.847 1.00 0.00 C ATOM 369 C GLN A 25 5.581 14.732 1.431 1.00 0.00 C ATOM 370 O GLN A 25 4.434 15.083 1.713 1.00 0.00 O ATOM 371 CB GLN A 25 6.322 12.464 0.593 1.00 0.00 C ATOM 372 CG GLN A 25 5.426 11.225 0.646 1.00 0.00 C ATOM 373 CD GLN A 25 3.959 11.635 0.572 1.00 0.00 C ATOM 374 OE1 GLN A 25 3.644 12.824 0.601 1.00 0.00 O ATOM 375 NE2 GLN A 25 3.040 10.714 0.479 1.00 0.00 N ATOM 0 H GLN A 25 4.237 12.505 2.342 1.00 0.00 H new ATOM 0 HA GLN A 25 7.057 13.452 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.108 13.036 -0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.368 12.161 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.667 10.557 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.611 10.672 1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.305 9.729 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.056 10.978 0.430 1.00 0.00 H new ATOM 384 N ASP A 26 6.420 15.505 0.756 1.00 0.00 N ATOM 385 CA ASP A 26 6.006 16.829 0.316 1.00 0.00 C ATOM 386 C ASP A 26 4.674 16.725 -0.419 1.00 0.00 C ATOM 387 O ASP A 26 4.587 16.127 -1.492 1.00 0.00 O ATOM 388 CB ASP A 26 7.074 17.437 -0.595 1.00 0.00 C ATOM 389 CG ASP A 26 8.303 17.798 0.234 1.00 0.00 C ATOM 390 OD1 ASP A 26 8.191 17.806 1.449 1.00 0.00 O ATOM 391 OD2 ASP A 26 9.341 18.056 -0.355 1.00 0.00 O ATOM 0 H ASP A 26 7.374 15.245 0.505 1.00 0.00 H new ATOM 0 HA ASP A 26 5.884 17.478 1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.345 16.729 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.682 18.325 -1.090 1.00 0.00 H new ATOM 396 N ASP A 27 3.634 17.284 0.189 1.00 0.00 N ATOM 397 CA ASP A 27 2.297 17.229 -0.388 1.00 0.00 C ATOM 398 C ASP A 27 2.194 18.136 -1.607 1.00 0.00 C ATOM 399 O ASP A 27 3.044 18.998 -1.827 1.00 0.00 O ATOM 400 CB ASP A 27 1.268 17.638 0.673 1.00 0.00 C ATOM 401 CG ASP A 27 1.363 16.689 1.863 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.708 15.539 1.648 1.00 0.00 O ATOM 403 OD2 ASP A 27 1.094 17.125 2.969 1.00 0.00 O ATOM 0 H ASP A 27 3.691 17.779 1.079 1.00 0.00 H new ATOM 0 HA ASP A 27 2.094 16.209 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.450 18.663 0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.263 17.610 0.251 1.00 0.00 H new ATOM 408 N GLY A 28 1.153 17.924 -2.404 1.00 0.00 N ATOM 409 CA GLY A 28 0.944 18.712 -3.616 1.00 0.00 C ATOM 410 C GLY A 28 0.768 20.199 -3.311 1.00 0.00 C ATOM 411 O GLY A 28 0.328 20.963 -4.169 1.00 0.00 O ATOM 0 H GLY A 28 0.440 17.214 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.793 18.578 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.063 18.343 -4.140 1.00 0.00 H new ATOM 415 N GLY A 29 1.107 20.612 -2.089 1.00 0.00 N ATOM 416 CA GLY A 29 0.975 22.011 -1.694 1.00 0.00 C ATOM 417 C GLY A 29 -0.268 22.205 -0.843 1.00 0.00 C ATOM 418 O GLY A 29 -0.647 23.333 -0.530 1.00 0.00 O ATOM 0 H GLY A 29 1.473 19.999 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.858 22.323 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.919 22.642 -2.581 1.00 0.00 H new ATOM 422 N ALA A 30 -0.896 21.094 -0.458 1.00 0.00 N ATOM 423 CA ALA A 30 -2.096 21.158 0.368 1.00 0.00 C ATOM 424 C ALA A 30 -2.205 19.905 1.236 1.00 0.00 C ATOM 425 O ALA A 30 -1.748 18.832 0.841 1.00 0.00 O ATOM 426 CB ALA A 30 -3.335 21.295 -0.522 1.00 0.00 C ATOM 0 H ALA A 30 -0.596 20.150 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.032 22.029 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.228 21.342 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.258 22.206 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.402 20.434 -1.187 1.00 0.00 H new ATOM 432 N PRO A 31 -2.790 20.014 2.406 1.00 0.00 N ATOM 433 CA PRO A 31 -2.936 18.849 3.322 1.00 0.00 C ATOM 434 C PRO A 31 -3.854 17.786 2.730 1.00 0.00 C ATOM 435 O PRO A 31 -4.872 18.099 2.114 1.00 0.00 O ATOM 436 CB PRO A 31 -3.521 19.459 4.609 1.00 0.00 C ATOM 437 CG PRO A 31 -4.191 20.722 4.169 1.00 0.00 C ATOM 438 CD PRO A 31 -3.379 21.236 2.980 1.00 0.00 C ATOM 0 HA PRO A 31 -1.992 18.335 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.231 18.779 5.081 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.739 19.661 5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.226 20.536 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.210 21.455 4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.010 21.754 2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.610 21.941 3.295 1.00 0.00 H new ATOM 446 N ILE A 32 -3.476 16.530 2.920 1.00 0.00 N ATOM 447 CA ILE A 32 -4.258 15.413 2.400 1.00 0.00 C ATOM 448 C ILE A 32 -5.356 15.012 3.376 1.00 0.00 C ATOM 449 O ILE A 32 -5.101 14.789 4.560 1.00 0.00 O ATOM 450 CB ILE A 32 -3.332 14.223 2.155 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.329 14.562 1.015 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.176 12.988 1.787 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.902 14.233 1.449 1.00 0.00 C ATOM 0 H ILE A 32 -2.635 16.257 3.429 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.728 15.722 1.466 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.764 14.005 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.583 13.997 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.404 15.619 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.518 12.137 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.858 12.757 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.750 13.195 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.211 14.475 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.647 14.818 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.829 13.171 1.683 1.00 0.00 H new ATOM 465 N LEU A 33 -6.577 14.914 2.867 1.00 0.00 N ATOM 466 CA LEU A 33 -7.708 14.522 3.698 1.00 0.00 C ATOM 467 C LEU A 33 -7.749 13.005 3.858 1.00 0.00 C ATOM 468 O LEU A 33 -8.054 12.489 4.933 1.00 0.00 O ATOM 469 CB LEU A 33 -9.017 15.014 3.075 1.00 0.00 C ATOM 470 CG LEU A 33 -8.897 16.503 2.725 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.214 16.989 2.115 1.00 0.00 C ATOM 472 CD2 LEU A 33 -8.584 17.316 3.991 1.00 0.00 C ATOM 0 H LEU A 33 -6.809 15.099 1.891 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.589 14.977 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.243 14.437 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.842 14.860 3.770 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.089 16.639 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.131 18.047 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.429 16.419 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.022 16.848 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.500 18.372 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.386 17.182 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.643 16.972 4.421 1.00 0.00 H new ATOM 484 N GLU A 34 -7.449 12.298 2.766 1.00 0.00 N ATOM 485 CA GLU A 34 -7.462 10.835 2.761 1.00 0.00 C ATOM 486 C GLU A 34 -6.425 10.290 1.785 1.00 0.00 C ATOM 487 O GLU A 34 -5.855 11.025 0.979 1.00 0.00 O ATOM 488 CB GLU A 34 -8.859 10.318 2.332 1.00 0.00 C ATOM 489 CG GLU A 34 -9.788 10.164 3.539 1.00 0.00 C ATOM 490 CD GLU A 34 -10.291 11.525 4.010 1.00 0.00 C ATOM 491 OE1 GLU A 34 -10.227 12.465 3.233 1.00 0.00 O ATOM 492 OE2 GLU A 34 -10.743 11.605 5.141 1.00 0.00 O ATOM 0 H GLU A 34 -7.194 12.717 1.872 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.228 10.494 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.301 11.010 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.755 9.358 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.634 9.530 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.258 9.666 4.351 1.00 0.00 H new ATOM 499 N TYR A 35 -6.215 8.977 1.856 1.00 0.00 N ATOM 500 CA TYR A 35 -5.278 8.285 0.975 1.00 0.00 C ATOM 501 C TYR A 35 -6.010 7.176 0.225 1.00 0.00 C ATOM 502 O TYR A 35 -6.568 6.269 0.834 1.00 0.00 O ATOM 503 CB TYR A 35 -4.126 7.670 1.799 1.00 0.00 C ATOM 504 CG TYR A 35 -2.991 8.642 1.970 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.200 9.803 2.693 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.734 8.359 1.441 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.145 10.703 2.900 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.676 9.254 1.634 1.00 0.00 C ATOM 509 CZ TYR A 35 -0.881 10.428 2.364 1.00 0.00 C ATOM 510 OH TYR A 35 0.165 11.303 2.569 1.00 0.00 O ATOM 0 H TYR A 35 -6.687 8.366 2.522 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.865 9.002 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.498 7.368 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.764 6.769 1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.178 10.016 3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.576 7.449 0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.307 11.605 3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.298 9.038 1.219 1.00 0.00 H new ATOM 0 HH TYR A 35 0.970 10.959 2.129 1.00 0.00 H new ATOM 520 N ILE A 36 -5.975 7.237 -1.096 1.00 0.00 N ATOM 521 CA ILE A 36 -6.610 6.217 -1.918 1.00 0.00 C ATOM 522 C ILE A 36 -5.553 5.207 -2.323 1.00 0.00 C ATOM 523 O ILE A 36 -4.627 5.528 -3.070 1.00 0.00 O ATOM 524 CB ILE A 36 -7.212 6.867 -3.157 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.253 7.899 -2.724 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.878 5.800 -4.028 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.676 8.735 -3.933 1.00 0.00 C ATOM 0 H ILE A 36 -5.515 7.980 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.405 5.720 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.426 7.356 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.120 7.398 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.840 8.544 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.307 6.269 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.135 5.063 -4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.667 5.307 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.418 9.471 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.806 9.247 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.106 8.083 -4.694 1.00 0.00 H new ATOM 539 N VAL A 37 -5.671 3.991 -1.796 1.00 0.00 N ATOM 540 CA VAL A 37 -4.698 2.943 -2.075 1.00 0.00 C ATOM 541 C VAL A 37 -5.321 1.835 -2.908 1.00 0.00 C ATOM 542 O VAL A 37 -6.370 1.295 -2.557 1.00 0.00 O ATOM 543 CB VAL A 37 -4.202 2.374 -0.739 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.130 1.293 -0.994 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.633 3.526 0.131 1.00 0.00 C ATOM 0 H VAL A 37 -6.430 3.709 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.867 3.362 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.031 1.910 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.782 0.893 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.560 0.488 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.290 1.733 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.280 3.124 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.804 4.002 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.415 4.262 0.317 1.00 0.00 H new ATOM 555 N LYS A 38 -4.661 1.494 -4.013 1.00 0.00 N ATOM 556 CA LYS A 38 -5.143 0.436 -4.898 1.00 0.00 C ATOM 557 C LYS A 38 -4.083 -0.648 -5.022 1.00 0.00 C ATOM 558 O LYS A 38 -2.910 -0.351 -5.209 1.00 0.00 O ATOM 559 CB LYS A 38 -5.441 1.001 -6.288 1.00 0.00 C ATOM 560 CG LYS A 38 -6.525 2.082 -6.197 1.00 0.00 C ATOM 561 CD LYS A 38 -6.839 2.634 -7.601 1.00 0.00 C ATOM 562 CE LYS A 38 -7.887 1.755 -8.299 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.999 2.159 -9.728 1.00 0.00 N ATOM 0 H LYS A 38 -3.792 1.934 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.057 0.018 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.533 1.421 -6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.769 0.201 -6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.428 1.666 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.191 2.890 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.207 3.657 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.928 2.668 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.603 0.705 -8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.852 1.858 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.708 1.565 -10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.289 3.156 -9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.078 2.039 -10.196 1.00 0.00 H new ATOM 577 N TYR A 39 -4.495 -1.905 -4.919 1.00 0.00 N ATOM 578 CA TYR A 39 -3.548 -3.017 -5.022 1.00 0.00 C ATOM 579 C TYR A 39 -4.161 -4.172 -5.803 1.00 0.00 C ATOM 580 O TYR A 39 -5.382 -4.319 -5.858 1.00 0.00 O ATOM 581 CB TYR A 39 -3.163 -3.493 -3.619 1.00 0.00 C ATOM 582 CG TYR A 39 -4.387 -4.004 -2.896 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.238 -3.113 -2.230 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.665 -5.379 -2.887 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.369 -3.595 -1.558 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.795 -5.860 -2.214 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.647 -4.969 -1.550 1.00 0.00 C ATOM 588 OH TYR A 39 -7.761 -5.442 -0.888 1.00 0.00 O ATOM 0 H TYR A 39 -5.465 -2.182 -4.766 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.659 -2.672 -5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.414 -4.282 -3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.714 -2.673 -3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.022 -2.055 -2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.008 -6.066 -3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.027 -2.908 -1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.009 -6.918 -2.207 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.808 -6.416 -0.981 1.00 0.00 H new ATOM 598 N ARG A 40 -3.303 -4.991 -6.409 1.00 0.00 N ATOM 599 CA ARG A 40 -3.765 -6.138 -7.190 1.00 0.00 C ATOM 600 C ARG A 40 -2.815 -7.315 -7.042 1.00 0.00 C ATOM 601 O ARG A 40 -1.869 -7.278 -6.259 1.00 0.00 O ATOM 602 CB ARG A 40 -3.875 -5.787 -8.674 1.00 0.00 C ATOM 603 CG ARG A 40 -2.529 -5.272 -9.223 1.00 0.00 C ATOM 604 CD ARG A 40 -2.422 -5.566 -10.728 1.00 0.00 C ATOM 605 NE ARG A 40 -1.905 -6.917 -10.955 1.00 0.00 N ATOM 606 CZ ARG A 40 -1.120 -7.206 -12.001 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.740 -6.268 -12.827 1.00 0.00 N ATOM 608 NH2 ARG A 40 -0.720 -8.434 -12.200 1.00 0.00 N ATOM 0 H ARG A 40 -2.289 -4.883 -6.375 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.749 -6.409 -6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.188 -6.666 -9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.644 -5.027 -8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.443 -4.200 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.705 -5.749 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.402 -5.463 -11.194 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.765 -4.836 -11.201 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.149 -7.658 -10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.041 -5.305 -12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.142 -6.499 -13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.006 -9.174 -11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.122 -8.653 -12.997 1.00 0.00 H new ATOM 622 N SER A 41 -3.071 -8.351 -7.833 1.00 0.00 N ATOM 623 CA SER A 41 -2.236 -9.552 -7.826 1.00 0.00 C ATOM 624 C SER A 41 -1.300 -9.524 -9.024 1.00 0.00 C ATOM 625 O SER A 41 -1.720 -9.206 -10.134 1.00 0.00 O ATOM 626 CB SER A 41 -3.123 -10.797 -7.895 1.00 0.00 C ATOM 627 OG SER A 41 -3.400 -11.099 -9.254 1.00 0.00 O ATOM 0 H SER A 41 -3.851 -8.386 -8.489 1.00 0.00 H new ATOM 0 HA SER A 41 -1.650 -9.580 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.624 -11.640 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.052 -10.627 -7.351 1.00 0.00 H new ATOM 0 HG SER A 41 -3.334 -12.067 -9.394 1.00 0.00 H new ATOM 633 N LYS A 42 -0.032 -9.849 -8.799 1.00 0.00 N ATOM 634 CA LYS A 42 0.943 -9.836 -9.882 1.00 0.00 C ATOM 635 C LYS A 42 0.602 -10.876 -10.946 1.00 0.00 C ATOM 636 O LYS A 42 1.169 -10.862 -12.038 1.00 0.00 O ATOM 637 CB LYS A 42 2.354 -10.087 -9.332 1.00 0.00 C ATOM 638 CG LYS A 42 2.848 -8.828 -8.611 1.00 0.00 C ATOM 639 CD LYS A 42 4.307 -9.001 -8.192 1.00 0.00 C ATOM 640 CE LYS A 42 4.764 -7.753 -7.438 1.00 0.00 C ATOM 641 NZ LYS A 42 6.180 -7.919 -7.005 1.00 0.00 N ATOM 0 H LYS A 42 0.341 -10.121 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 42 0.912 -8.851 -10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.344 -10.933 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.033 -10.345 -10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.750 -7.962 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.230 -8.636 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.414 -9.882 -7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.934 -9.160 -9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.669 -6.875 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.125 -7.586 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.472 -7.090 -6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.267 -8.776 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.791 -8.007 -7.842 1.00 0.00 H new ATOM 655 N ASP A 43 -0.333 -11.766 -10.632 1.00 0.00 N ATOM 656 CA ASP A 43 -0.750 -12.797 -11.583 1.00 0.00 C ATOM 657 C ASP A 43 -1.914 -12.301 -12.436 1.00 0.00 C ATOM 658 O ASP A 43 -2.016 -12.632 -13.618 1.00 0.00 O ATOM 659 CB ASP A 43 -1.164 -14.060 -10.831 1.00 0.00 C ATOM 660 CG ASP A 43 -1.373 -15.207 -11.813 1.00 0.00 C ATOM 661 OD1 ASP A 43 -0.840 -15.132 -12.907 1.00 0.00 O ATOM 662 OD2 ASP A 43 -2.066 -16.147 -11.455 1.00 0.00 O ATOM 0 H ASP A 43 -0.815 -11.797 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 43 0.091 -13.024 -12.238 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.397 -14.328 -10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.082 -13.876 -10.273 1.00 0.00 H new ATOM 667 N LYS A 44 -2.791 -11.499 -11.828 1.00 0.00 N ATOM 668 CA LYS A 44 -3.953 -10.947 -12.524 1.00 0.00 C ATOM 669 C LYS A 44 -3.885 -9.425 -12.544 1.00 0.00 C ATOM 670 O LYS A 44 -3.679 -8.784 -11.512 1.00 0.00 O ATOM 671 CB LYS A 44 -5.238 -11.388 -11.809 1.00 0.00 C ATOM 672 CG LYS A 44 -5.348 -12.922 -11.830 1.00 0.00 C ATOM 673 CD LYS A 44 -5.905 -13.410 -13.195 1.00 0.00 C ATOM 674 CE LYS A 44 -5.153 -14.664 -13.656 1.00 0.00 C ATOM 675 NZ LYS A 44 -5.631 -15.057 -15.011 1.00 0.00 N ATOM 0 H LYS A 44 -2.717 -11.217 -10.851 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.955 -11.316 -13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.233 -11.029 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.106 -10.946 -12.297 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.368 -13.365 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.001 -13.257 -11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.969 -13.628 -13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.803 -12.621 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.081 -14.471 -13.678 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.315 -15.479 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.122 -15.908 -15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.651 -15.257 -14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.454 -14.281 -15.680 1.00 0.00 H new ATOM 689 N GLU A 45 -4.055 -8.861 -13.733 1.00 0.00 N ATOM 690 CA GLU A 45 -4.014 -7.407 -13.925 1.00 0.00 C ATOM 691 C GLU A 45 -5.353 -6.915 -14.475 1.00 0.00 C ATOM 692 O GLU A 45 -5.527 -5.734 -14.767 1.00 0.00 O ATOM 693 CB GLU A 45 -2.880 -7.065 -14.903 1.00 0.00 C ATOM 694 CG GLU A 45 -2.634 -5.552 -14.940 1.00 0.00 C ATOM 695 CD GLU A 45 -1.336 -5.262 -15.684 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.327 -5.847 -15.323 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.368 -4.460 -16.602 1.00 0.00 O ATOM 0 H GLU A 45 -4.224 -9.389 -14.589 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.831 -6.914 -12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.967 -7.580 -14.603 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.134 -7.422 -15.901 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.467 -5.050 -15.432 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.579 -5.158 -13.925 1.00 0.00 H new ATOM 704 N ASP A 46 -6.300 -7.836 -14.617 1.00 0.00 N ATOM 705 CA ASP A 46 -7.617 -7.495 -15.148 1.00 0.00 C ATOM 706 C ASP A 46 -8.433 -6.691 -14.139 1.00 0.00 C ATOM 707 O ASP A 46 -9.550 -6.270 -14.438 1.00 0.00 O ATOM 708 CB ASP A 46 -8.383 -8.771 -15.502 1.00 0.00 C ATOM 709 CG ASP A 46 -8.496 -9.666 -14.274 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.786 -9.414 -13.313 1.00 0.00 O ATOM 711 OD2 ASP A 46 -9.295 -10.587 -14.308 1.00 0.00 O ATOM 0 H ASP A 46 -6.183 -8.820 -14.374 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.467 -6.887 -16.040 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.377 -8.518 -15.871 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.871 -9.302 -16.304 1.00 0.00 H new ATOM 716 N GLN A 47 -7.890 -6.484 -12.939 1.00 0.00 N ATOM 717 CA GLN A 47 -8.614 -5.728 -11.915 1.00 0.00 C ATOM 718 C GLN A 47 -7.666 -5.042 -10.937 1.00 0.00 C ATOM 719 O GLN A 47 -6.531 -5.478 -10.737 1.00 0.00 O ATOM 720 CB GLN A 47 -9.554 -6.664 -11.145 1.00 0.00 C ATOM 721 CG GLN A 47 -8.739 -7.711 -10.378 1.00 0.00 C ATOM 722 CD GLN A 47 -9.676 -8.687 -9.674 1.00 0.00 C ATOM 723 OE1 GLN A 47 -10.556 -9.272 -10.307 1.00 0.00 O ATOM 724 NE2 GLN A 47 -9.542 -8.896 -8.393 1.00 0.00 N ATOM 0 H GLN A 47 -6.970 -6.821 -12.655 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.190 -4.954 -12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.166 -6.088 -10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.236 -7.158 -11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.087 -8.251 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.096 -7.220 -9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.813 -8.411 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.167 -9.545 -7.914 1.00 0.00 H new ATOM 733 N TRP A 48 -8.163 -3.974 -10.315 1.00 0.00 N ATOM 734 CA TRP A 48 -7.399 -3.212 -9.327 1.00 0.00 C ATOM 735 C TRP A 48 -8.301 -2.878 -8.139 1.00 0.00 C ATOM 736 O TRP A 48 -9.183 -2.024 -8.237 1.00 0.00 O ATOM 737 CB TRP A 48 -6.855 -1.916 -9.957 1.00 0.00 C ATOM 738 CG TRP A 48 -5.535 -2.164 -10.622 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.361 -2.567 -11.902 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.201 -2.011 -10.056 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.004 -2.675 -12.154 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.248 -2.340 -11.047 1.00 0.00 C ATOM 743 CE3 TRP A 48 -3.733 -1.622 -8.790 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -1.877 -2.284 -10.789 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.356 -1.566 -8.527 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.429 -1.894 -9.525 1.00 0.00 C ATOM 0 H TRP A 48 -9.103 -3.613 -10.480 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.555 -3.811 -8.986 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.569 -1.533 -10.686 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.743 -1.151 -9.188 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.151 -2.771 -12.610 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -3.610 -2.967 -13.049 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.438 -1.364 -8.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.168 -2.541 -11.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.008 -1.268 -7.549 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.370 -1.845 -9.317 1.00 0.00 H new ATOM 757 N LEU A 49 -8.071 -3.559 -7.021 1.00 0.00 N ATOM 758 CA LEU A 49 -8.869 -3.330 -5.819 1.00 0.00 C ATOM 759 C LEU A 49 -8.579 -1.942 -5.265 1.00 0.00 C ATOM 760 O LEU A 49 -7.541 -1.362 -5.569 1.00 0.00 O ATOM 761 CB LEU A 49 -8.540 -4.385 -4.757 1.00 0.00 C ATOM 762 CG LEU A 49 -8.866 -5.791 -5.282 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.467 -6.824 -4.226 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.373 -5.912 -5.582 1.00 0.00 C ATOM 0 H LEU A 49 -7.345 -4.269 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.925 -3.404 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.485 -4.325 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.110 -4.187 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.311 -5.969 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.696 -7.825 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.398 -6.746 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.023 -6.638 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.591 -6.913 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.941 -5.732 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.654 -5.176 -6.336 1.00 0.00 H new ATOM 776 N GLU A 50 -9.504 -1.406 -4.461 1.00 0.00 N ATOM 777 CA GLU A 50 -9.333 -0.067 -3.878 1.00 0.00 C ATOM 778 C GLU A 50 -9.393 -0.114 -2.355 1.00 0.00 C ATOM 779 O GLU A 50 -10.089 -0.943 -1.770 1.00 0.00 O ATOM 780 CB GLU A 50 -10.408 0.882 -4.417 1.00 0.00 C ATOM 781 CG GLU A 50 -11.799 0.410 -3.978 1.00 0.00 C ATOM 782 CD GLU A 50 -12.862 1.332 -4.564 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.683 2.536 -4.483 1.00 0.00 O ATOM 784 OE2 GLU A 50 -13.839 0.822 -5.088 1.00 0.00 O ATOM 0 H GLU A 50 -10.372 -1.873 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.349 0.303 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.227 1.893 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.356 0.922 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.968 -0.614 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.866 0.407 -2.890 1.00 0.00 H new ATOM 791 N LYS A 51 -8.644 0.793 -1.723 1.00 0.00 N ATOM 792 CA LYS A 51 -8.587 0.876 -0.267 1.00 0.00 C ATOM 793 C LYS A 51 -8.484 2.345 0.158 1.00 0.00 C ATOM 794 O LYS A 51 -7.483 3.003 -0.101 1.00 0.00 O ATOM 795 CB LYS A 51 -7.379 0.048 0.219 1.00 0.00 C ATOM 796 CG LYS A 51 -6.961 0.401 1.684 1.00 0.00 C ATOM 797 CD LYS A 51 -7.172 -0.800 2.621 1.00 0.00 C ATOM 798 CE LYS A 51 -8.658 -0.945 2.955 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.829 -2.009 3.983 1.00 0.00 N ATOM 0 H LYS A 51 -8.066 1.483 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.491 0.469 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.622 -1.013 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.534 0.219 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.914 0.703 1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.545 1.250 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.806 -1.711 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.596 -0.664 3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.054 0.001 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.222 -1.197 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.838 -2.111 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.466 -2.911 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.303 -1.750 4.842 1.00 0.00 H new ATOM 813 N LYS A 52 -9.523 2.846 0.827 1.00 0.00 N ATOM 814 CA LYS A 52 -9.526 4.236 1.294 1.00 0.00 C ATOM 815 C LYS A 52 -8.896 4.315 2.681 1.00 0.00 C ATOM 816 O LYS A 52 -9.149 3.468 3.540 1.00 0.00 O ATOM 817 CB LYS A 52 -10.962 4.775 1.335 1.00 0.00 C ATOM 818 CG LYS A 52 -11.635 4.621 -0.041 1.00 0.00 C ATOM 819 CD LYS A 52 -11.045 5.609 -1.058 1.00 0.00 C ATOM 820 CE LYS A 52 -11.785 5.467 -2.388 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.359 4.205 -3.055 1.00 0.00 N ATOM 0 H LYS A 52 -10.365 2.318 1.057 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.943 4.845 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.537 4.238 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.954 5.825 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.503 3.601 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.708 4.789 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.135 6.629 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.982 5.414 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.862 5.457 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.571 6.322 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.758 4.431 -3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.822 3.621 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.198 3.681 -3.375 1.00 0.00 H new ATOM 835 N VAL A 53 -8.037 5.316 2.879 1.00 0.00 N ATOM 836 CA VAL A 53 -7.326 5.485 4.144 1.00 0.00 C ATOM 837 C VAL A 53 -7.391 6.921 4.646 1.00 0.00 C ATOM 838 O VAL A 53 -7.613 7.856 3.881 1.00 0.00 O ATOM 839 CB VAL A 53 -5.871 5.078 3.942 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.109 5.154 5.264 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.809 3.653 3.404 1.00 0.00 C ATOM 0 H VAL A 53 -7.817 6.023 2.177 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.803 4.856 4.895 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.412 5.762 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.072 4.860 5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.142 6.175 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.569 4.481 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.768 3.363 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.279 2.975 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.335 3.601 2.451 1.00 0.00 H new ATOM 851 N GLN A 54 -7.180 7.070 5.945 1.00 0.00 N ATOM 852 CA GLN A 54 -7.192 8.379 6.583 1.00 0.00 C ATOM 853 C GLN A 54 -5.831 9.044 6.410 1.00 0.00 C ATOM 854 O GLN A 54 -4.802 8.371 6.427 1.00 0.00 O ATOM 855 CB GLN A 54 -7.499 8.225 8.079 1.00 0.00 C ATOM 856 CG GLN A 54 -7.894 9.584 8.681 1.00 0.00 C ATOM 857 CD GLN A 54 -9.387 9.839 8.483 1.00 0.00 C ATOM 858 OE1 GLN A 54 -10.021 9.237 7.515 1.00 0.00 O flip ATOM 859 NE2 GLN A 54 -9.992 10.604 9.235 1.00 0.00 N flip ATOM 0 H GLN A 54 -6.997 6.295 6.582 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.961 8.997 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.307 7.507 8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.626 7.828 8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.653 9.602 9.744 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.317 10.380 8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.495 11.074 9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.990 10.767 9.101 1.00 0.00 H new ATOM 868 N GLY A 55 -5.826 10.360 6.247 1.00 0.00 N ATOM 869 CA GLY A 55 -4.568 11.076 6.076 1.00 0.00 C ATOM 870 C GLY A 55 -3.716 10.951 7.335 1.00 0.00 C ATOM 871 O GLY A 55 -2.490 11.069 7.287 1.00 0.00 O ATOM 0 H GLY A 55 -6.661 10.945 6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.026 10.674 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.765 12.127 5.864 1.00 0.00 H new ATOM 875 N ASN A 56 -4.385 10.721 8.462 1.00 0.00 N ATOM 876 CA ASN A 56 -3.705 10.585 9.749 1.00 0.00 C ATOM 877 C ASN A 56 -3.242 9.146 9.990 1.00 0.00 C ATOM 878 O ASN A 56 -2.341 8.906 10.794 1.00 0.00 O ATOM 879 CB ASN A 56 -4.657 11.015 10.870 1.00 0.00 C ATOM 880 CG ASN A 56 -3.874 11.392 12.126 1.00 0.00 C ATOM 881 OD1 ASN A 56 -2.682 11.105 12.226 1.00 0.00 O ATOM 882 ND2 ASN A 56 -4.483 12.019 13.097 1.00 0.00 N ATOM 0 H ASN A 56 -5.399 10.625 8.511 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.822 11.223 9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.256 11.864 10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.350 10.205 11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.970 12.272 13.941 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.471 12.255 13.011 1.00 0.00 H new ATOM 889 N LYS A 57 -3.870 8.187 9.308 1.00 0.00 N ATOM 890 CA LYS A 57 -3.509 6.781 9.489 1.00 0.00 C ATOM 891 C LYS A 57 -2.047 6.541 9.115 1.00 0.00 C ATOM 892 O LYS A 57 -1.320 5.870 9.846 1.00 0.00 O ATOM 893 CB LYS A 57 -4.431 5.883 8.631 1.00 0.00 C ATOM 894 CG LYS A 57 -5.527 5.254 9.508 1.00 0.00 C ATOM 895 CD LYS A 57 -6.524 4.495 8.635 1.00 0.00 C ATOM 896 CE LYS A 57 -7.617 3.893 9.518 1.00 0.00 C ATOM 897 NZ LYS A 57 -6.998 2.940 10.485 1.00 0.00 N ATOM 0 H LYS A 57 -4.619 8.354 8.636 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.639 6.526 10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.886 6.472 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.844 5.099 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.078 4.577 10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.043 6.031 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.965 5.167 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.013 3.707 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.144 4.682 10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.355 3.378 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.718 2.268 10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.230 2.419 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.614 3.468 11.295 1.00 0.00 H new ATOM 911 N ASP A 58 -1.634 7.082 7.977 1.00 0.00 N ATOM 912 CA ASP A 58 -0.266 6.923 7.510 1.00 0.00 C ATOM 913 C ASP A 58 0.186 5.468 7.621 1.00 0.00 C ATOM 914 O ASP A 58 1.343 5.191 7.942 1.00 0.00 O ATOM 915 CB ASP A 58 0.682 7.836 8.302 1.00 0.00 C ATOM 916 CG ASP A 58 0.711 7.443 9.774 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.209 6.369 10.073 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.234 8.222 10.583 1.00 0.00 O ATOM 0 H ASP A 58 -2.229 7.635 7.360 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.234 7.210 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.687 7.773 7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.361 8.873 8.204 1.00 0.00 H new ATOM 923 N HIS A 59 -0.731 4.536 7.349 1.00 0.00 N ATOM 924 CA HIS A 59 -0.412 3.107 7.420 1.00 0.00 C ATOM 925 C HIS A 59 -1.642 2.269 7.049 1.00 0.00 C ATOM 926 O HIS A 59 -2.778 2.724 7.180 1.00 0.00 O ATOM 927 CB HIS A 59 0.110 2.742 8.847 1.00 0.00 C ATOM 928 CG HIS A 59 -0.870 1.868 9.599 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.866 2.394 10.409 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.014 0.505 9.666 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.558 1.359 10.923 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.080 0.186 10.501 1.00 0.00 N ATOM 0 H HIS A 59 -1.693 4.742 7.080 1.00 0.00 H new ATOM 0 HA HIS A 59 0.377 2.883 6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.066 2.226 8.763 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.290 3.656 9.413 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.394 -0.212 9.149 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.397 1.465 11.595 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.423 -0.745 10.740 1.00 0.00 H new ATOM 940 N ILE A 60 -1.401 1.037 6.605 1.00 0.00 N ATOM 941 CA ILE A 60 -2.492 0.130 6.245 1.00 0.00 C ATOM 942 C ILE A 60 -2.041 -1.324 6.361 1.00 0.00 C ATOM 943 O ILE A 60 -0.867 -1.645 6.172 1.00 0.00 O ATOM 944 CB ILE A 60 -2.988 0.406 4.802 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.878 1.096 4.005 1.00 0.00 C ATOM 946 CG2 ILE A 60 -4.238 1.290 4.799 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.310 1.234 2.546 1.00 0.00 C ATOM 0 H ILE A 60 -0.467 0.645 6.486 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.314 0.306 6.939 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.245 -0.549 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.669 2.078 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.956 0.518 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.559 1.463 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.037 0.793 5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.010 2.244 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.520 1.725 1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.497 0.245 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.221 1.830 2.491 1.00 0.00 H new ATOM 959 N ILE A 61 -3.003 -2.198 6.651 1.00 0.00 N ATOM 960 CA ILE A 61 -2.740 -3.630 6.769 1.00 0.00 C ATOM 961 C ILE A 61 -3.584 -4.379 5.741 1.00 0.00 C ATOM 962 O ILE A 61 -4.809 -4.409 5.840 1.00 0.00 O ATOM 963 CB ILE A 61 -3.112 -4.116 8.174 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.393 -3.262 9.230 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.714 -5.583 8.338 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.868 -3.299 9.028 1.00 0.00 C ATOM 0 H ILE A 61 -3.976 -1.937 6.809 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.681 -3.817 6.593 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.189 -4.020 8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.746 -2.232 9.171 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.640 -3.627 10.227 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.981 -5.923 9.339 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.238 -6.187 7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.638 -5.686 8.195 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.385 -2.686 9.789 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.515 -4.327 9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.622 -2.910 8.040 1.00 0.00 H new ATOM 978 N LEU A 62 -2.928 -4.982 4.751 1.00 0.00 N ATOM 979 CA LEU A 62 -3.646 -5.727 3.713 1.00 0.00 C ATOM 980 C LEU A 62 -3.586 -7.216 4.027 1.00 0.00 C ATOM 981 O LEU A 62 -2.552 -7.844 3.849 1.00 0.00 O ATOM 982 CB LEU A 62 -2.990 -5.472 2.355 1.00 0.00 C ATOM 983 CG LEU A 62 -2.906 -3.964 2.085 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.095 -3.734 0.809 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.318 -3.376 1.910 1.00 0.00 C ATOM 0 H LEU A 62 -1.914 -4.972 4.644 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.685 -5.399 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.991 -5.909 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.565 -5.959 1.567 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.423 -3.471 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.029 -2.665 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.092 -4.142 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.585 -4.231 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.245 -2.305 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.813 -3.862 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.897 -3.544 2.818 1.00 0.00 H new ATOM 997 N GLU A 63 -4.699 -7.770 4.501 1.00 0.00 N ATOM 998 CA GLU A 63 -4.758 -9.186 4.859 1.00 0.00 C ATOM 999 C GLU A 63 -5.134 -10.059 3.664 1.00 0.00 C ATOM 1000 O GLU A 63 -5.823 -9.617 2.747 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.791 -9.396 5.967 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.311 -8.733 7.259 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.380 -8.869 8.338 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.427 -9.417 8.034 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.135 -8.434 9.450 1.00 0.00 O ATOM 0 H GLU A 63 -5.571 -7.262 4.646 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.765 -9.479 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.750 -8.975 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.949 -10.462 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.383 -9.197 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.095 -7.680 7.079 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.681 -11.310 3.708 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.970 -12.275 2.650 1.00 0.00 C ATOM 1014 C HIS A 64 -4.097 -12.013 1.428 1.00 0.00 C ATOM 1015 O HIS A 64 -4.601 -11.777 0.331 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.461 -12.204 2.262 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.916 -13.531 1.707 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.504 -13.998 0.469 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -7.743 -14.499 2.217 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.079 -15.199 0.277 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.844 -15.553 1.313 1.00 0.00 N ATOM 0 H HIS A 64 -4.110 -11.680 4.468 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.747 -13.274 3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.060 -11.941 3.134 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.615 -11.419 1.521 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.879 -13.518 -0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.240 -14.451 3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.939 -15.803 -0.607 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.781 -12.053 1.630 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.833 -11.815 0.541 1.00 0.00 C ATOM 1031 C LEU A 65 -1.228 -13.126 0.047 1.00 0.00 C ATOM 1032 O LEU A 65 -0.461 -13.138 -0.913 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.709 -10.910 1.039 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.282 -9.587 1.562 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.142 -8.756 2.156 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -1.947 -8.805 0.417 1.00 0.00 C ATOM 0 H LEU A 65 -2.348 -12.247 2.533 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.368 -11.342 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.153 -11.412 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.005 -10.715 0.230 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.032 -9.794 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.537 -7.812 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.321 -9.307 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.603 -8.557 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.350 -7.868 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.208 -8.592 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.755 -9.400 -0.008 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.560 -14.222 0.718 1.00 0.00 N ATOM 1049 CA GLN A 66 -1.024 -15.528 0.346 1.00 0.00 C ATOM 1050 C GLN A 66 0.501 -15.493 0.326 1.00 0.00 C ATOM 1051 O GLN A 66 1.111 -14.426 0.260 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.561 -15.972 -1.017 1.00 0.00 C ATOM 1053 CG GLN A 66 -3.028 -16.382 -0.876 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.552 -16.923 -2.201 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -3.397 -18.107 -2.490 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -4.168 -16.120 -3.027 1.00 0.00 N ATOM 0 H GLN A 66 -2.193 -14.235 1.517 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.349 -16.251 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.466 -15.161 -1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.973 -16.808 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.128 -17.141 -0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.624 -15.525 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.295 -15.138 -2.784 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.522 -16.475 -3.915 1.00 0.00 H new ATOM 1065 N TRP A 67 1.113 -16.671 0.424 1.00 0.00 N ATOM 1066 CA TRP A 67 2.573 -16.778 0.454 1.00 0.00 C ATOM 1067 C TRP A 67 3.153 -17.148 -0.911 1.00 0.00 C ATOM 1068 O TRP A 67 4.357 -17.013 -1.132 1.00 0.00 O ATOM 1069 CB TRP A 67 2.964 -17.854 1.459 1.00 0.00 C ATOM 1070 CG TRP A 67 2.376 -17.532 2.796 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.241 -18.075 3.288 1.00 0.00 C ATOM 1072 CD2 TRP A 67 2.862 -16.610 3.818 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.011 -17.565 4.553 1.00 0.00 N ATOM 1074 CE2 TRP A 67 1.980 -16.656 4.921 1.00 0.00 C ATOM 1075 CE3 TRP A 67 3.975 -15.754 3.897 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.191 -15.880 6.062 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.191 -14.969 5.041 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.301 -15.034 6.123 1.00 0.00 C ATOM 0 H TRP A 67 0.624 -17.564 0.484 1.00 0.00 H new ATOM 0 HA TRP A 67 2.974 -15.805 0.736 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.610 -18.828 1.120 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.050 -17.918 1.534 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.615 -18.791 2.777 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.221 -17.829 5.142 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.669 -15.700 3.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.501 -15.933 6.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.047 -14.312 5.088 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.474 -14.431 7.002 1.00 0.00 H new ATOM 1089 N THR A 68 2.305 -17.635 -1.817 1.00 0.00 N ATOM 1090 CA THR A 68 2.764 -18.051 -3.149 1.00 0.00 C ATOM 1091 C THR A 68 2.292 -17.087 -4.228 1.00 0.00 C ATOM 1092 O THR A 68 2.266 -17.432 -5.409 1.00 0.00 O ATOM 1093 CB THR A 68 2.232 -19.450 -3.455 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.812 -19.419 -3.487 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.701 -20.423 -2.372 1.00 0.00 C ATOM 0 H THR A 68 1.304 -17.752 -1.658 1.00 0.00 H new ATOM 0 HA THR A 68 3.854 -18.052 -3.146 1.00 0.00 H new ATOM 0 HB THR A 68 2.609 -19.780 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.470 -20.316 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.321 -21.421 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.791 -20.446 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.326 -20.096 -1.402 1.00 0.00 H new ATOM 1103 N MET A 69 1.917 -15.878 -3.824 1.00 0.00 N ATOM 1104 CA MET A 69 1.448 -14.877 -4.776 1.00 0.00 C ATOM 1105 C MET A 69 1.957 -13.495 -4.392 1.00 0.00 C ATOM 1106 O MET A 69 2.018 -13.144 -3.214 1.00 0.00 O ATOM 1107 CB MET A 69 -0.087 -14.868 -4.807 1.00 0.00 C ATOM 1108 CG MET A 69 -0.625 -16.028 -5.658 1.00 0.00 C ATOM 1109 SD MET A 69 -2.291 -15.611 -6.225 1.00 0.00 S ATOM 1110 CE MET A 69 -1.792 -14.684 -7.697 1.00 0.00 C ATOM 0 H MET A 69 1.928 -15.569 -2.852 1.00 0.00 H new ATOM 0 HA MET A 69 1.832 -15.131 -5.764 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.476 -14.946 -3.792 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.441 -13.920 -5.212 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.030 -16.206 -6.511 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.644 -16.948 -5.073 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.542 -13.925 -7.920 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.831 -14.203 -7.515 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.702 -15.365 -8.543 1.00 0.00 H new ATOM 1120 N GLY A 70 2.310 -12.712 -5.407 1.00 0.00 N ATOM 1121 CA GLY A 70 2.801 -11.356 -5.197 1.00 0.00 C ATOM 1122 C GLY A 70 1.687 -10.345 -5.468 1.00 0.00 C ATOM 1123 O GLY A 70 0.764 -10.620 -6.233 1.00 0.00 O ATOM 0 H GLY A 70 2.265 -12.995 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.161 -11.246 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.647 -11.161 -5.856 1.00 0.00 H new ATOM 1127 N TYR A 71 1.773 -9.179 -4.828 1.00 0.00 N ATOM 1128 CA TYR A 71 0.756 -8.133 -4.997 1.00 0.00 C ATOM 1129 C TYR A 71 1.405 -6.752 -5.097 1.00 0.00 C ATOM 1130 O TYR A 71 2.330 -6.434 -4.349 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.207 -8.149 -3.802 1.00 0.00 C ATOM 1132 CG TYR A 71 -1.030 -9.419 -3.824 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.447 -10.635 -3.452 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.378 -9.379 -4.214 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -1.206 -11.809 -3.472 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -3.136 -10.557 -4.233 1.00 0.00 C ATOM 1137 CZ TYR A 71 -2.551 -11.771 -3.863 1.00 0.00 C ATOM 1138 OH TYR A 71 -3.297 -12.931 -3.881 1.00 0.00 O ATOM 0 H TYR A 71 2.530 -8.933 -4.191 1.00 0.00 H new ATOM 0 HA TYR A 71 0.211 -8.334 -5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.354 -8.085 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.863 -7.279 -3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.589 -10.667 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.830 -8.441 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.755 -12.747 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.173 -10.527 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.914 -13.556 -4.531 1.00 0.00 H new ATOM 1148 N GLU A 72 0.901 -5.928 -6.018 1.00 0.00 N ATOM 1149 CA GLU A 72 1.423 -4.571 -6.208 1.00 0.00 C ATOM 1150 C GLU A 72 0.582 -3.581 -5.406 1.00 0.00 C ATOM 1151 O GLU A 72 -0.522 -3.911 -4.978 1.00 0.00 O ATOM 1152 CB GLU A 72 1.385 -4.193 -7.697 1.00 0.00 C ATOM 1153 CG GLU A 72 1.683 -5.428 -8.545 1.00 0.00 C ATOM 1154 CD GLU A 72 2.015 -5.013 -9.974 1.00 0.00 C ATOM 1155 OE1 GLU A 72 2.938 -4.233 -10.144 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.341 -5.481 -10.879 1.00 0.00 O ATOM 0 H GLU A 72 0.134 -6.175 -6.643 1.00 0.00 H new ATOM 0 HA GLU A 72 2.455 -4.537 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.406 -3.789 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.117 -3.412 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.518 -5.981 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.822 -6.097 -8.543 1.00 0.00 H new ATOM 1163 N VAL A 73 1.095 -2.363 -5.208 1.00 0.00 N ATOM 1164 CA VAL A 73 0.351 -1.348 -4.459 1.00 0.00 C ATOM 1165 C VAL A 73 0.506 0.017 -5.117 1.00 0.00 C ATOM 1166 O VAL A 73 1.553 0.338 -5.677 1.00 0.00 O ATOM 1167 CB VAL A 73 0.852 -1.271 -3.007 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.267 -0.752 -2.094 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.292 -2.667 -2.553 1.00 0.00 C ATOM 0 H VAL A 73 2.007 -2.060 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.701 -1.633 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 73 1.697 -0.585 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.096 -0.700 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.572 0.242 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.120 -1.428 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.648 -2.619 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.447 -3.352 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.094 -3.024 -3.199 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.547 0.817 -5.040 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.537 2.157 -5.616 1.00 0.00 C ATOM 1181 C GLN A 74 -1.201 3.131 -4.657 1.00 0.00 C ATOM 1182 O GLN A 74 -2.419 3.127 -4.478 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.240 2.142 -6.968 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.315 3.559 -7.541 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.871 3.514 -8.960 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.783 2.736 -9.245 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -1.382 4.309 -9.872 1.00 0.00 N ATOM 0 H GLN A 74 -1.423 0.562 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 74 0.491 2.484 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.703 1.491 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.244 1.732 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.950 4.182 -6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.324 4.013 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.627 4.953 -9.636 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.755 4.287 -10.821 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.365 3.945 -4.029 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.811 4.935 -3.055 1.00 0.00 C ATOM 1198 C ILE A 75 -1.035 6.286 -3.727 1.00 0.00 C ATOM 1199 O ILE A 75 -0.205 6.748 -4.503 1.00 0.00 O ATOM 1200 CB ILE A 75 0.269 5.032 -1.944 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.049 4.076 -0.789 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.424 6.462 -1.403 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.147 2.634 -1.257 1.00 0.00 C ATOM 0 H ILE A 75 0.644 3.939 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.763 4.635 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 75 1.215 4.744 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.600 4.286 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.075 4.224 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.191 6.477 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.715 7.129 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.524 6.796 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.078 1.952 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.521 2.429 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.180 2.492 -1.574 1.00 0.00 H new ATOM 1215 N THR A 76 -2.153 6.925 -3.398 1.00 0.00 N ATOM 1216 CA THR A 76 -2.466 8.243 -3.942 1.00 0.00 C ATOM 1217 C THR A 76 -3.014 9.117 -2.823 1.00 0.00 C ATOM 1218 O THR A 76 -4.018 8.783 -2.199 1.00 0.00 O ATOM 1219 CB THR A 76 -3.483 8.127 -5.080 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.164 6.997 -5.882 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.441 9.388 -5.947 1.00 0.00 C ATOM 0 H THR A 76 -2.856 6.553 -2.759 1.00 0.00 H new ATOM 0 HA THR A 76 -1.561 8.695 -4.349 1.00 0.00 H new ATOM 0 HB THR A 76 -4.482 8.013 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.814 6.919 -6.611 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.167 9.298 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.683 10.258 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.443 9.507 -6.368 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.341 10.230 -2.563 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.760 11.140 -1.503 1.00 0.00 C ATOM 1231 C ALA A 77 -3.696 12.203 -2.085 1.00 0.00 C ATOM 1232 O ALA A 77 -3.355 12.865 -3.063 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.498 11.774 -0.888 1.00 0.00 C ATOM 0 H ALA A 77 -1.506 10.525 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.306 10.609 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.787 12.460 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.860 10.991 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.953 12.321 -1.658 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.893 12.340 -1.506 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.878 13.302 -2.020 1.00 0.00 C ATOM 1241 C ALA A 78 -5.956 14.572 -1.177 1.00 0.00 C ATOM 1242 O ALA A 78 -6.460 14.561 -0.056 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.257 12.644 -2.056 1.00 0.00 C ATOM 0 H ALA A 78 -5.202 11.807 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.556 13.590 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.990 13.355 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.227 11.771 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.540 12.336 -1.049 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.493 15.679 -1.755 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.540 16.978 -1.086 1.00 0.00 C ATOM 1251 C ASN A 79 -6.525 17.883 -1.813 1.00 0.00 C ATOM 1252 O ASN A 79 -7.347 17.415 -2.602 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.145 17.622 -1.080 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.509 17.504 -2.461 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -4.044 16.823 -3.335 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.393 18.133 -2.710 1.00 0.00 N ATOM 0 H ASN A 79 -5.080 15.702 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.865 16.840 -0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.221 18.671 -0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.514 17.134 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.962 18.061 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.952 18.697 -1.983 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.436 19.175 -1.554 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.323 20.129 -2.199 1.00 0.00 C ATOM 1265 C ARG A 80 -7.241 19.957 -3.714 1.00 0.00 C ATOM 1266 O ARG A 80 -8.225 20.154 -4.427 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.907 21.552 -1.823 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.168 21.787 -0.335 1.00 0.00 C ATOM 1269 CD ARG A 80 -6.690 23.186 0.056 1.00 0.00 C ATOM 1270 NE ARG A 80 -6.902 23.414 1.480 1.00 0.00 N ATOM 1271 CZ ARG A 80 -6.832 24.638 1.995 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -6.566 25.657 1.227 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -7.030 24.819 3.273 1.00 0.00 N ATOM 0 H ARG A 80 -5.764 19.587 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.346 19.952 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.851 21.704 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.465 22.274 -2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.232 21.682 -0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.648 21.035 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.632 23.296 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.228 23.936 -0.523 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.107 22.623 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.411 25.516 0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.513 26.595 1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.238 24.022 3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.977 25.757 3.669 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.059 19.571 -4.193 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.852 19.354 -5.621 1.00 0.00 C ATOM 1289 C LEU A 81 -6.716 18.190 -6.095 1.00 0.00 C ATOM 1290 O LEU A 81 -7.328 18.243 -7.161 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.370 19.040 -5.887 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.555 20.336 -5.909 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.767 21.097 -4.598 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -2.070 19.997 -6.067 1.00 0.00 C ATOM 0 H LEU A 81 -5.235 19.403 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.133 20.255 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.987 18.373 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.265 18.519 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.880 20.957 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.186 22.019 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.824 21.336 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.442 20.479 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.486 20.917 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.747 19.377 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.918 19.455 -7.000 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.752 17.135 -5.281 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.528 15.934 -5.587 1.00 0.00 C ATOM 1308 C GLY A 82 -6.649 14.698 -5.478 1.00 0.00 C ATOM 1309 O GLY A 82 -7.029 13.703 -4.862 1.00 0.00 O ATOM 0 H GLY A 82 -6.247 17.089 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.370 15.852 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.943 16.007 -6.592 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.463 14.778 -6.071 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.506 13.678 -6.028 1.00 0.00 C ATOM 1315 C TYR A 83 -3.099 14.239 -6.211 1.00 0.00 C ATOM 1316 O TYR A 83 -2.867 15.048 -7.109 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.809 12.664 -7.133 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.301 12.471 -7.257 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.045 13.323 -8.082 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -6.940 11.445 -6.552 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.428 13.147 -8.203 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.325 11.267 -6.674 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.068 12.120 -7.500 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.431 11.944 -7.622 1.00 0.00 O ATOM 0 H TYR A 83 -5.140 15.596 -6.589 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.581 13.171 -5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.398 13.012 -8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.328 11.712 -6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.552 14.116 -8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.366 10.790 -5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.002 13.804 -8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.818 10.474 -6.132 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.714 11.186 -7.068 1.00 0.00 H new ATOM 1334 N SER A 84 -2.159 13.826 -5.366 1.00 0.00 N ATOM 1335 CA SER A 84 -0.796 14.335 -5.487 1.00 0.00 C ATOM 1336 C SER A 84 0.203 13.445 -4.763 1.00 0.00 C ATOM 1337 O SER A 84 -0.099 12.860 -3.724 1.00 0.00 O ATOM 1338 CB SER A 84 -0.719 15.748 -4.911 1.00 0.00 C ATOM 1339 OG SER A 84 0.625 16.207 -4.972 1.00 0.00 O ATOM 0 H SER A 84 -2.308 13.158 -4.609 1.00 0.00 H new ATOM 0 HA SER A 84 -0.540 14.345 -6.546 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.370 16.418 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.071 15.752 -3.879 1.00 0.00 H new ATOM 0 HG SER A 84 0.699 16.915 -5.645 1.00 0.00 H new ATOM 1345 N GLU A 85 1.409 13.375 -5.314 1.00 0.00 N ATOM 1346 CA GLU A 85 2.470 12.580 -4.716 1.00 0.00 C ATOM 1347 C GLU A 85 2.074 11.106 -4.629 1.00 0.00 C ATOM 1348 O GLU A 85 2.060 10.520 -3.548 1.00 0.00 O ATOM 1349 CB GLU A 85 2.783 13.129 -3.311 1.00 0.00 C ATOM 1350 CG GLU A 85 4.248 12.863 -2.947 1.00 0.00 C ATOM 1351 CD GLU A 85 4.606 11.407 -3.224 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.338 10.576 -2.370 1.00 0.00 O ATOM 1353 OE2 GLU A 85 5.144 11.141 -4.287 1.00 0.00 O ATOM 0 H GLU A 85 1.674 13.859 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 85 3.357 12.649 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.583 14.200 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.128 12.660 -2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.898 13.521 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.416 13.092 -1.895 1.00 0.00 H new ATOM 1360 N PRO A 86 1.764 10.500 -5.743 1.00 0.00 N ATOM 1361 CA PRO A 86 1.370 9.063 -5.787 1.00 0.00 C ATOM 1362 C PRO A 86 2.588 8.152 -5.660 1.00 0.00 C ATOM 1363 O PRO A 86 3.680 8.517 -6.095 1.00 0.00 O ATOM 1364 CB PRO A 86 0.729 8.918 -7.166 1.00 0.00 C ATOM 1365 CG PRO A 86 1.437 9.924 -8.015 1.00 0.00 C ATOM 1366 CD PRO A 86 1.761 11.105 -7.086 1.00 0.00 C ATOM 0 HA PRO A 86 0.705 8.782 -4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.855 7.909 -7.558 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.343 9.114 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.347 9.503 -8.443 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.810 10.243 -8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.726 11.551 -7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.015 11.896 -7.168 1.00 0.00 H new ATOM 1374 N THR A 87 2.397 6.951 -5.104 1.00 0.00 N ATOM 1375 CA THR A 87 3.494 5.997 -4.981 1.00 0.00 C ATOM 1376 C THR A 87 3.088 4.633 -5.483 1.00 0.00 C ATOM 1377 O THR A 87 2.195 3.988 -4.937 1.00 0.00 O ATOM 1378 CB THR A 87 3.976 5.843 -3.548 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.343 7.111 -3.022 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.180 4.900 -3.525 1.00 0.00 C ATOM 0 H THR A 87 1.503 6.623 -4.737 1.00 0.00 H new ATOM 0 HA THR A 87 4.305 6.402 -5.587 1.00 0.00 H new ATOM 0 HB THR A 87 3.176 5.429 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.651 7.005 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.532 4.784 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.888 3.927 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.979 5.316 -4.138 1.00 0.00 H new ATOM 1388 N VAL A 88 3.790 4.188 -6.503 1.00 0.00 N ATOM 1389 CA VAL A 88 3.555 2.869 -7.073 1.00 0.00 C ATOM 1390 C VAL A 88 4.582 1.908 -6.489 1.00 0.00 C ATOM 1391 O VAL A 88 5.693 1.774 -7.001 1.00 0.00 O ATOM 1392 CB VAL A 88 3.680 2.931 -8.603 1.00 0.00 C ATOM 1393 CG1 VAL A 88 2.371 3.452 -9.206 1.00 0.00 C ATOM 1394 CG2 VAL A 88 4.817 3.882 -8.983 1.00 0.00 C ATOM 0 H VAL A 88 4.532 4.719 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 88 2.550 2.524 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 88 3.889 1.932 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.462 3.495 -10.291 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.554 2.782 -8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.164 4.450 -8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.907 3.927 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.603 4.878 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.752 3.520 -8.556 1.00 0.00 H new ATOM 1404 N TYR A 89 4.196 1.248 -5.399 1.00 0.00 N ATOM 1405 CA TYR A 89 5.083 0.304 -4.719 1.00 0.00 C ATOM 1406 C TYR A 89 4.802 -1.110 -5.217 1.00 0.00 C ATOM 1407 O TYR A 89 3.687 -1.407 -5.644 1.00 0.00 O ATOM 1408 CB TYR A 89 4.863 0.391 -3.204 1.00 0.00 C ATOM 1409 CG TYR A 89 5.824 -0.517 -2.455 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.212 -0.368 -2.608 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.324 -1.501 -1.584 1.00 0.00 C ATOM 1412 CE1 TYR A 89 8.089 -1.197 -1.902 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.206 -2.327 -0.878 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.588 -2.175 -1.037 1.00 0.00 C ATOM 1415 OH TYR A 89 8.457 -2.987 -0.338 1.00 0.00 O ATOM 0 H TYR A 89 3.277 1.348 -4.968 1.00 0.00 H new ATOM 0 HA TYR A 89 6.121 0.554 -4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.999 1.421 -2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.836 0.113 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.603 0.388 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.258 -1.620 -1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.156 -1.082 -2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.820 -3.082 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 89 7.946 -3.611 0.218 1.00 0.00 H new ATOM 1425 N GLU A 90 5.809 -1.977 -5.186 1.00 0.00 N ATOM 1426 CA GLU A 90 5.627 -3.347 -5.663 1.00 0.00 C ATOM 1427 C GLU A 90 6.592 -4.311 -4.981 1.00 0.00 C ATOM 1428 O GLU A 90 7.782 -4.034 -4.844 1.00 0.00 O ATOM 1429 CB GLU A 90 5.836 -3.395 -7.179 1.00 0.00 C ATOM 1430 CG GLU A 90 7.079 -2.582 -7.553 1.00 0.00 C ATOM 1431 CD GLU A 90 7.444 -2.837 -9.011 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.424 -3.989 -9.414 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.740 -1.876 -9.703 1.00 0.00 O ATOM 0 H GLU A 90 6.745 -1.763 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 90 4.612 -3.658 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.952 -4.428 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.960 -2.995 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.891 -1.520 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.912 -2.857 -6.907 1.00 0.00 H new ATOM 1440 N PHE A 91 6.053 -5.453 -4.570 1.00 0.00 N ATOM 1441 CA PHE A 91 6.841 -6.488 -3.917 1.00 0.00 C ATOM 1442 C PHE A 91 6.043 -7.787 -3.912 1.00 0.00 C ATOM 1443 O PHE A 91 4.815 -7.756 -4.004 1.00 0.00 O ATOM 1444 CB PHE A 91 7.191 -6.063 -2.484 1.00 0.00 C ATOM 1445 CG PHE A 91 5.963 -6.144 -1.603 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.009 -5.120 -1.622 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.782 -7.251 -0.764 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.876 -5.203 -0.802 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.651 -7.335 0.053 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.697 -6.311 0.035 1.00 0.00 C ATOM 0 H PHE A 91 5.066 -5.685 -4.679 1.00 0.00 H new ATOM 0 HA PHE A 91 7.773 -6.639 -4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.976 -6.707 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.582 -5.046 -2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.146 -4.266 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.518 -8.041 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.141 -4.412 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.513 -8.190 0.698 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.823 -6.376 0.666 1.00 0.00 H new ATOM 1460 N SER A 92 6.728 -8.927 -3.804 1.00 0.00 N ATOM 1461 CA SER A 92 6.044 -10.224 -3.790 1.00 0.00 C ATOM 1462 C SER A 92 6.053 -10.814 -2.382 1.00 0.00 C ATOM 1463 O SER A 92 6.806 -10.364 -1.518 1.00 0.00 O ATOM 1464 CB SER A 92 6.711 -11.186 -4.780 1.00 0.00 C ATOM 1465 OG SER A 92 7.269 -10.437 -5.852 1.00 0.00 O ATOM 0 H SER A 92 7.744 -8.981 -3.726 1.00 0.00 H new ATOM 0 HA SER A 92 5.008 -10.076 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.489 -11.762 -4.279 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.981 -11.900 -5.160 1.00 0.00 H new ATOM 0 HG SER A 92 7.699 -11.046 -6.488 1.00 0.00 H new ATOM 1471 N MET A 93 5.199 -11.812 -2.143 1.00 0.00 N ATOM 1472 CA MET A 93 5.116 -12.435 -0.821 1.00 0.00 C ATOM 1473 C MET A 93 6.091 -13.618 -0.696 1.00 0.00 C ATOM 1474 O MET A 93 6.288 -14.361 -1.658 1.00 0.00 O ATOM 1475 CB MET A 93 3.692 -12.938 -0.584 1.00 0.00 C ATOM 1476 CG MET A 93 2.715 -11.761 -0.646 1.00 0.00 C ATOM 1477 SD MET A 93 2.977 -10.669 0.778 1.00 0.00 S ATOM 1478 CE MET A 93 2.455 -11.815 2.082 1.00 0.00 C ATOM 0 H MET A 93 4.563 -12.202 -2.838 1.00 0.00 H new ATOM 0 HA MET A 93 5.385 -11.685 -0.077 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.429 -13.682 -1.335 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.626 -13.428 0.387 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.859 -11.206 -1.573 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.689 -12.128 -0.650 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.018 -11.253 2.907 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.714 -12.508 1.683 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.318 -12.375 2.441 1.00 0.00 H new ATOM 1488 N PRO A 94 6.682 -13.823 0.465 1.00 0.00 N ATOM 1489 CA PRO A 94 7.626 -14.964 0.705 1.00 0.00 C ATOM 1490 C PRO A 94 6.864 -16.283 0.858 1.00 0.00 C ATOM 1491 O PRO A 94 5.655 -16.277 1.064 1.00 0.00 O ATOM 1492 CB PRO A 94 8.316 -14.574 2.021 1.00 0.00 C ATOM 1493 CG PRO A 94 7.302 -13.761 2.751 1.00 0.00 C ATOM 1494 CD PRO A 94 6.528 -12.995 1.680 1.00 0.00 C ATOM 0 HA PRO A 94 8.325 -15.122 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.604 -15.455 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.225 -14.002 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.636 -14.398 3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.781 -13.077 3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.479 -12.878 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.933 -11.994 1.534 1.00 0.00 H new ATOM 1502 N PRO A 95 7.537 -17.402 0.771 1.00 0.00 N ATOM 1503 CA PRO A 95 6.880 -18.736 0.930 1.00 0.00 C ATOM 1504 C PRO A 95 6.351 -18.941 2.354 1.00 0.00 C ATOM 1505 O PRO A 95 6.843 -18.326 3.301 1.00 0.00 O ATOM 1506 CB PRO A 95 8.000 -19.735 0.588 1.00 0.00 C ATOM 1507 CG PRO A 95 9.266 -18.994 0.868 1.00 0.00 C ATOM 1508 CD PRO A 95 8.982 -17.537 0.508 1.00 0.00 C ATOM 0 HA PRO A 95 6.005 -18.852 0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.926 -20.637 1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.947 -20.048 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.552 -19.090 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.090 -19.390 0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.568 -16.850 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.224 -17.325 -0.533 1.00 0.00 H new ATOM 1516 N LYS A 96 5.339 -19.800 2.489 1.00 0.00 N ATOM 1517 CA LYS A 96 4.723 -20.081 3.793 1.00 0.00 C ATOM 1518 C LYS A 96 5.768 -20.057 4.917 1.00 0.00 C ATOM 1519 O LYS A 96 6.824 -20.678 4.790 1.00 0.00 O ATOM 1520 CB LYS A 96 4.066 -21.472 3.750 1.00 0.00 C ATOM 1521 CG LYS A 96 3.335 -21.788 5.078 1.00 0.00 C ATOM 1522 CD LYS A 96 1.908 -21.195 5.057 1.00 0.00 C ATOM 1523 CE LYS A 96 0.936 -22.195 4.422 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.605 -23.260 5.411 1.00 0.00 N ATOM 0 H LYS A 96 4.926 -20.315 1.712 1.00 0.00 H new ATOM 0 HA LYS A 96 3.979 -19.311 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.358 -21.517 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.826 -22.230 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.286 -22.867 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.896 -21.376 5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.588 -20.958 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.901 -20.261 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.027 -21.684 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.382 -22.637 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.231 -23.787 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.411 -23.911 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.404 -22.826 6.334 1.00 0.00 H new ATOM 1538 N PRO A 97 5.505 -19.381 6.020 1.00 0.00 N ATOM 1539 CA PRO A 97 6.462 -19.336 7.163 1.00 0.00 C ATOM 1540 C PRO A 97 6.524 -20.662 7.923 1.00 0.00 C ATOM 1541 O PRO A 97 5.571 -21.440 7.922 1.00 0.00 O ATOM 1542 CB PRO A 97 5.905 -18.219 8.051 1.00 0.00 C ATOM 1543 CG PRO A 97 4.439 -18.232 7.794 1.00 0.00 C ATOM 1544 CD PRO A 97 4.285 -18.587 6.318 1.00 0.00 C ATOM 0 HA PRO A 97 7.486 -19.158 6.834 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.125 -18.402 9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.344 -17.254 7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.936 -18.963 8.428 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.994 -17.261 8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.378 -19.163 6.137 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.226 -17.694 5.695 1.00 0.00 H new ATOM 1552 N ASN A 98 7.655 -20.892 8.584 1.00 0.00 N ATOM 1553 CA ASN A 98 7.856 -22.104 9.372 1.00 0.00 C ATOM 1554 C ASN A 98 8.783 -21.795 10.542 1.00 0.00 C ATOM 1555 O ASN A 98 8.485 -22.127 11.688 1.00 0.00 O ATOM 1556 CB ASN A 98 8.460 -23.207 8.498 1.00 0.00 C ATOM 1557 CG ASN A 98 7.419 -23.705 7.504 1.00 0.00 C ATOM 1558 OD1 ASN A 98 6.414 -24.294 7.900 1.00 0.00 O ATOM 1559 ND2 ASN A 98 7.594 -23.502 6.225 1.00 0.00 N ATOM 0 H ASN A 98 8.449 -20.252 8.589 1.00 0.00 H new ATOM 0 HA ASN A 98 6.896 -22.451 9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.331 -22.826 7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 98 8.804 -24.032 9.123 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.898 -23.832 5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.427 -23.014 5.895 1.00 0.00 H new ATOM 1566 N ILE A 99 9.891 -21.128 10.230 1.00 0.00 N ATOM 1567 CA ILE A 99 10.869 -20.728 11.236 1.00 0.00 C ATOM 1568 C ILE A 99 12.009 -19.968 10.572 1.00 0.00 C ATOM 1569 O ILE A 99 12.887 -20.559 9.946 1.00 0.00 O ATOM 1570 CB ILE A 99 11.416 -21.945 11.992 1.00 0.00 C ATOM 1571 CG1 ILE A 99 12.514 -21.482 12.956 1.00 0.00 C ATOM 1572 CG2 ILE A 99 11.983 -22.989 11.012 1.00 0.00 C ATOM 1573 CD1 ILE A 99 12.853 -22.612 13.929 1.00 0.00 C ATOM 0 H ILE A 99 10.135 -20.851 9.279 1.00 0.00 H new ATOM 0 HA ILE A 99 10.373 -20.079 11.958 1.00 0.00 H new ATOM 0 HB ILE A 99 10.604 -22.411 12.550 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.403 -21.191 12.397 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.181 -20.602 13.507 1.00 0.00 H new ATOM 0 HG21 ILE A 99 12.365 -23.843 11.571 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.194 -23.321 10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.792 -22.543 10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.634 -22.281 14.614 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.963 -22.882 14.497 1.00 0.00 H new ATOM 0 HD13 ILE A 99 13.204 -23.480 13.371 1.00 0.00 H new ATOM 1585 N ILE A 100 11.976 -18.650 10.700 1.00 0.00 N ATOM 1586 CA ILE A 100 12.992 -17.807 10.099 1.00 0.00 C ATOM 1587 C ILE A 100 12.823 -16.359 10.560 1.00 0.00 C ATOM 1588 O ILE A 100 11.774 -15.982 11.084 1.00 0.00 O ATOM 1589 CB ILE A 100 12.871 -17.903 8.579 1.00 0.00 C ATOM 1590 CG1 ILE A 100 13.752 -16.845 7.916 1.00 0.00 C ATOM 1591 CG2 ILE A 100 11.415 -17.687 8.178 1.00 0.00 C ATOM 1592 CD1 ILE A 100 13.891 -17.157 6.424 1.00 0.00 C ATOM 0 H ILE A 100 11.256 -18.144 11.215 1.00 0.00 H new ATOM 0 HA ILE A 100 13.981 -18.144 10.409 1.00 0.00 H new ATOM 0 HB ILE A 100 13.199 -18.889 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 100 13.315 -15.856 8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 100 14.735 -16.827 8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.322 -17.754 7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.792 -18.451 8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 100 11.089 -16.701 8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 100 14.519 -16.402 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 100 14.347 -18.139 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 100 12.906 -17.152 5.958 1.00 0.00 H new ATOM 1604 N LYS A 101 13.863 -15.556 10.366 1.00 0.00 N ATOM 1605 CA LYS A 101 13.821 -14.153 10.766 1.00 0.00 C ATOM 1606 C LYS A 101 12.892 -13.361 9.848 1.00 0.00 C ATOM 1607 O LYS A 101 12.914 -13.536 8.630 1.00 0.00 O ATOM 1608 CB LYS A 101 15.232 -13.567 10.720 1.00 0.00 C ATOM 1609 CG LYS A 101 15.229 -12.168 11.337 1.00 0.00 C ATOM 1610 CD LYS A 101 16.669 -11.669 11.441 1.00 0.00 C ATOM 1611 CE LYS A 101 16.693 -10.281 12.083 1.00 0.00 C ATOM 1612 NZ LYS A 101 18.105 -9.835 12.240 1.00 0.00 N ATOM 0 H LYS A 101 14.741 -15.849 9.937 1.00 0.00 H new ATOM 0 HA LYS A 101 13.435 -14.086 11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.922 -14.213 11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.583 -13.520 9.689 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.638 -11.487 10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.766 -12.192 12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 101 17.262 -12.364 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.122 -11.629 10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.142 -9.572 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.198 -10.308 13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.124 -8.891 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.616 -10.508 12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.562 -9.794 11.307 1.00 0.00 H new ATOM 1626 N ASP A 102 12.070 -12.502 10.446 1.00 0.00 N ATOM 1627 CA ASP A 102 11.123 -11.691 9.681 1.00 0.00 C ATOM 1628 C ASP A 102 11.790 -10.417 9.169 1.00 0.00 C ATOM 1629 O ASP A 102 11.881 -9.472 9.932 1.00 0.00 O ATOM 1630 CB ASP A 102 9.925 -11.330 10.560 1.00 0.00 C ATOM 1631 CG ASP A 102 9.105 -12.580 10.856 1.00 0.00 C ATOM 1632 OD1 ASP A 102 8.622 -13.184 9.912 1.00 0.00 O ATOM 1633 OD2 ASP A 102 8.966 -12.914 12.021 1.00 0.00 O ATOM 0 H ASP A 102 12.039 -12.349 11.454 1.00 0.00 H new ATOM 0 HA ASP A 102 10.784 -12.272 8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.269 -10.881 11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.305 -10.588 10.058 1.00 0.00 H new TER 1638 ASP A 102