USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 LYS NZ :NH3+ -168:sc= 0.432 (180deg=0) USER MOD Set 1.2: A 50 HIS :FLIP no HE2:sc= -2.72 F(o=-3.8,f=-2.4) USER MOD Set 1.3: A 79 ASN : amide:sc= -0.106 K(o=-2.4,f=-3.8) USER MOD Set 2.1: A 46 MET CE :methyl -139:sc=-0.00642 (180deg=0) USER MOD Set 2.2: A 74 MET CE :methyl -148:sc= -0.0631 (180deg=-0.753) USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= -0.237 K(o=-0.24,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -2.39! C(o=-2.4!,f=-2.8!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0861 X(o=-0.086,f=-0.0032) USER MOD Single : A 16 THR OG1 : rot -110:sc= -0.0695 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 130:sc= -0.175 USER MOD Single : A 33 SER OG : rot 82:sc= 0.339 USER MOD Single : A 35 CYS SG : rot -59:sc= -0.0543 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -5.78! C(o=-5.8!,f=-6.8!) USER MOD Single : A 42 ASN : amide:sc= -3.03! C(o=-3!,f=-5.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=-0.0023) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 179:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.916 K(o=-0.92,f=-3.7!) USER MOD Single : A 67 LYS NZ :NH3+ -102:sc= 0 (180deg=-0.284) USER MOD Single : A 68 ASN :FLIP amide:sc= -2.78! C(o=-3.7!,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 150:sc= -0.011 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -145:sc= 0.114 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.044) USER MOD Single : A 107 TYR OH : rot -60:sc= 1.13 USER MOD Single : A 111 SER OG : rot -55:sc= 0.445 USER MOD Single : A 112 THR OG1 : rot 44:sc= 0.325 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 23:sc= 0.473 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 34:sc= 0.897 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.664 -8.403 28.088 1.00 0.00 N ATOM 2 CA GLY A 1 27.681 -7.700 28.892 1.00 0.00 C ATOM 3 C GLY A 1 26.489 -7.238 28.077 1.00 0.00 C ATOM 4 O GLY A 1 26.198 -6.043 28.013 1.00 0.00 O ATOM 0 H1 GLY A 1 29.459 -8.698 28.691 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.225 -9.242 27.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.014 -7.773 27.338 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.338 -8.353 29.694 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.152 -6.837 29.363 1.00 0.00 H new ATOM 8 N SER A 2 25.798 -8.185 27.451 1.00 0.00 N ATOM 9 CA SER A 2 24.635 -7.868 26.632 1.00 0.00 C ATOM 10 C SER A 2 23.711 -6.893 27.355 1.00 0.00 C ATOM 11 O SER A 2 23.898 -6.603 28.536 1.00 0.00 O ATOM 12 CB SER A 2 23.870 -9.145 26.278 1.00 0.00 C ATOM 13 OG SER A 2 24.672 -10.021 25.504 1.00 0.00 O ATOM 0 H SER A 2 26.024 -9.179 27.496 1.00 0.00 H new ATOM 0 HA SER A 2 24.986 -7.397 25.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.553 -9.648 27.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.966 -8.890 25.725 1.00 0.00 H new ATOM 0 HG SER A 2 24.162 -10.830 25.292 1.00 0.00 H new ATOM 19 N SER A 3 22.712 -6.390 26.636 1.00 0.00 N ATOM 20 CA SER A 3 21.760 -5.444 27.206 1.00 0.00 C ATOM 21 C SER A 3 20.357 -5.691 26.661 1.00 0.00 C ATOM 22 O SER A 3 20.176 -6.416 25.684 1.00 0.00 O ATOM 23 CB SER A 3 22.192 -4.008 26.903 1.00 0.00 C ATOM 24 OG SER A 3 22.345 -3.805 25.509 1.00 0.00 O ATOM 0 H SER A 3 22.541 -6.622 25.658 1.00 0.00 H new ATOM 0 HA SER A 3 21.742 -5.590 28.286 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.451 -3.311 27.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.132 -3.793 27.410 1.00 0.00 H new ATOM 0 HG SER A 3 22.620 -2.879 25.341 1.00 0.00 H new ATOM 30 N GLY A 4 19.364 -5.080 27.302 1.00 0.00 N ATOM 31 CA GLY A 4 17.989 -5.245 26.868 1.00 0.00 C ATOM 32 C GLY A 4 17.687 -4.481 25.595 1.00 0.00 C ATOM 33 O GLY A 4 16.969 -4.973 24.723 1.00 0.00 O ATOM 0 H GLY A 4 19.488 -4.474 28.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.786 -6.304 26.709 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.319 -4.907 27.658 1.00 0.00 H new ATOM 37 N SER A 5 18.234 -3.275 25.486 1.00 0.00 N ATOM 38 CA SER A 5 18.015 -2.439 24.312 1.00 0.00 C ATOM 39 C SER A 5 16.549 -2.030 24.202 1.00 0.00 C ATOM 40 O SER A 5 15.965 -2.057 23.118 1.00 0.00 O ATOM 41 CB SER A 5 18.446 -3.179 23.044 1.00 0.00 C ATOM 42 OG SER A 5 19.743 -3.730 23.192 1.00 0.00 O ATOM 0 H SER A 5 18.833 -2.855 26.197 1.00 0.00 H new ATOM 0 HA SER A 5 18.619 -1.538 24.421 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.733 -3.973 22.822 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.433 -2.493 22.197 1.00 0.00 H new ATOM 0 HG SER A 5 19.995 -4.199 22.369 1.00 0.00 H new ATOM 48 N SER A 6 15.960 -1.653 25.332 1.00 0.00 N ATOM 49 CA SER A 6 14.561 -1.242 25.365 1.00 0.00 C ATOM 50 C SER A 6 14.442 0.275 25.471 1.00 0.00 C ATOM 51 O SER A 6 15.228 0.924 26.161 1.00 0.00 O ATOM 52 CB SER A 6 13.841 -1.905 26.541 1.00 0.00 C ATOM 53 OG SER A 6 12.434 -1.823 26.389 1.00 0.00 O ATOM 0 H SER A 6 16.430 -1.624 26.237 1.00 0.00 H new ATOM 0 HA SER A 6 14.092 -1.561 24.434 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.142 -2.950 26.613 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.138 -1.423 27.472 1.00 0.00 H new ATOM 0 HG SER A 6 11.997 -2.255 27.152 1.00 0.00 H new ATOM 59 N GLY A 7 13.454 0.835 24.780 1.00 0.00 N ATOM 60 CA GLY A 7 13.249 2.271 24.809 1.00 0.00 C ATOM 61 C GLY A 7 11.911 2.655 25.408 1.00 0.00 C ATOM 62 O GLY A 7 11.053 1.799 25.624 1.00 0.00 O ATOM 0 H GLY A 7 12.792 0.319 24.200 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.048 2.737 25.385 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.316 2.665 23.795 1.00 0.00 H new ATOM 66 N GLU A 8 11.732 3.944 25.678 1.00 0.00 N ATOM 67 CA GLU A 8 10.489 4.438 26.258 1.00 0.00 C ATOM 68 C GLU A 8 9.920 5.586 25.429 1.00 0.00 C ATOM 69 O GLU A 8 10.631 6.507 25.028 1.00 0.00 O ATOM 70 CB GLU A 8 10.720 4.899 27.698 1.00 0.00 C ATOM 71 CG GLU A 8 10.745 3.762 28.705 1.00 0.00 C ATOM 72 CD GLU A 8 11.357 4.170 30.031 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.602 4.204 30.125 1.00 0.00 O ATOM 74 OE2 GLU A 8 10.591 4.456 30.975 1.00 0.00 O ATOM 0 H GLU A 8 12.432 4.665 25.504 1.00 0.00 H new ATOM 0 HA GLU A 8 9.768 3.621 26.258 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.665 5.440 27.750 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.935 5.602 27.976 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.728 3.408 28.872 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.309 2.927 28.290 1.00 0.00 H new ATOM 81 N PRO A 9 8.606 5.530 25.166 1.00 0.00 N ATOM 82 CA PRO A 9 7.911 6.557 24.383 1.00 0.00 C ATOM 83 C PRO A 9 7.805 7.882 25.130 1.00 0.00 C ATOM 84 O PRO A 9 8.044 7.947 26.335 1.00 0.00 O ATOM 85 CB PRO A 9 6.521 5.955 24.163 1.00 0.00 C ATOM 86 CG PRO A 9 6.332 5.011 25.300 1.00 0.00 C ATOM 87 CD PRO A 9 7.697 4.461 25.613 1.00 0.00 C ATOM 0 HA PRO A 9 8.440 6.793 23.459 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.752 6.727 24.158 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.461 5.438 23.205 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.909 5.522 26.165 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.641 4.212 25.033 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.813 4.254 26.677 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.885 3.527 25.084 1.00 0.00 H new ATOM 95 N ALA A 10 7.445 8.937 24.405 1.00 0.00 N ATOM 96 CA ALA A 10 7.305 10.260 25.000 1.00 0.00 C ATOM 97 C ALA A 10 5.885 10.789 24.834 1.00 0.00 C ATOM 98 O ALA A 10 5.155 10.367 23.936 1.00 0.00 O ATOM 99 CB ALA A 10 8.306 11.225 24.381 1.00 0.00 C ATOM 0 H ALA A 10 7.245 8.901 23.405 1.00 0.00 H new ATOM 0 HA ALA A 10 7.510 10.175 26.067 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.191 12.209 24.834 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.318 10.861 24.556 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.127 11.296 23.308 1.00 0.00 H new ATOM 105 N HIS A 11 5.498 11.716 25.705 1.00 0.00 N ATOM 106 CA HIS A 11 4.164 12.303 25.654 1.00 0.00 C ATOM 107 C HIS A 11 3.824 12.760 24.238 1.00 0.00 C ATOM 108 O HIS A 11 4.128 13.887 23.850 1.00 0.00 O ATOM 109 CB HIS A 11 4.066 13.483 26.621 1.00 0.00 C ATOM 110 CG HIS A 11 2.767 14.224 26.532 1.00 0.00 C ATOM 111 ND1 HIS A 11 2.568 15.299 25.692 1.00 0.00 N ATOM 112 CD2 HIS A 11 1.595 14.037 27.185 1.00 0.00 C ATOM 113 CE1 HIS A 11 1.332 15.742 25.832 1.00 0.00 C ATOM 114 NE2 HIS A 11 0.720 14.993 26.732 1.00 0.00 N ATOM 0 H HIS A 11 6.089 12.076 26.454 1.00 0.00 H new ATOM 0 HA HIS A 11 3.446 11.539 25.951 1.00 0.00 H new ATOM 0 HB2 HIS A 11 4.198 13.119 27.640 1.00 0.00 H new ATOM 0 HB3 HIS A 11 4.884 14.175 26.421 1.00 0.00 H new ATOM 0 HD1 HIS A 11 3.267 15.691 25.061 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.388 13.277 27.924 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.896 16.575 25.301 1.00 0.00 H new ATOM 122 N GLY A 12 3.193 11.875 23.471 1.00 0.00 N ATOM 123 CA GLY A 12 2.825 12.206 22.107 1.00 0.00 C ATOM 124 C GLY A 12 3.373 11.213 21.102 1.00 0.00 C ATOM 125 O GLY A 12 4.526 10.794 21.199 1.00 0.00 O ATOM 0 H GLY A 12 2.931 10.936 23.770 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.739 12.239 22.025 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.194 13.203 21.866 1.00 0.00 H new ATOM 129 N ARG A 13 2.544 10.835 20.134 1.00 0.00 N ATOM 130 CA ARG A 13 2.952 9.883 19.108 1.00 0.00 C ATOM 131 C ARG A 13 2.264 10.187 17.780 1.00 0.00 C ATOM 132 O ARG A 13 1.266 10.905 17.738 1.00 0.00 O ATOM 133 CB ARG A 13 2.625 8.455 19.548 1.00 0.00 C ATOM 134 CG ARG A 13 3.586 7.413 19.000 1.00 0.00 C ATOM 135 CD ARG A 13 3.085 6.001 19.259 1.00 0.00 C ATOM 136 NE ARG A 13 2.961 5.717 20.686 1.00 0.00 N ATOM 137 CZ ARG A 13 3.973 5.313 21.445 1.00 0.00 C ATOM 138 NH1 ARG A 13 5.178 5.147 20.917 1.00 0.00 N ATOM 139 NH2 ARG A 13 3.782 5.076 22.737 1.00 0.00 N ATOM 0 H ARG A 13 1.586 11.173 20.039 1.00 0.00 H new ATOM 0 HA ARG A 13 4.029 9.976 18.970 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.634 8.408 20.637 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.613 8.208 19.227 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.715 7.563 17.928 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.566 7.543 19.460 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.117 5.866 18.777 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.770 5.285 18.805 1.00 0.00 H new ATOM 0 HE ARG A 13 2.047 5.835 21.124 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.330 5.330 19.925 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.953 4.837 21.503 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.857 5.204 23.148 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.560 4.766 23.319 1.00 0.00 H new ATOM 153 N GLN A 14 2.806 9.636 16.699 1.00 0.00 N ATOM 154 CA GLN A 14 2.246 9.850 15.370 1.00 0.00 C ATOM 155 C GLN A 14 1.473 8.621 14.901 1.00 0.00 C ATOM 156 O GLN A 14 1.961 7.495 14.996 1.00 0.00 O ATOM 157 CB GLN A 14 3.356 10.180 14.372 1.00 0.00 C ATOM 158 CG GLN A 14 4.382 9.069 14.213 1.00 0.00 C ATOM 159 CD GLN A 14 5.336 8.983 15.388 1.00 0.00 C ATOM 160 OE1 GLN A 14 5.421 7.954 16.058 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.060 10.066 15.643 1.00 0.00 N ATOM 0 H GLN A 14 3.632 9.038 16.717 1.00 0.00 H new ATOM 0 HA GLN A 14 1.556 10.692 15.426 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.909 10.392 13.401 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.864 11.089 14.694 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.865 8.116 14.099 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.952 9.234 13.299 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.957 10.897 15.061 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.720 10.067 16.421 1.00 0.00 H new ATOM 170 N HIS A 15 0.264 8.846 14.395 1.00 0.00 N ATOM 171 CA HIS A 15 -0.576 7.757 13.911 1.00 0.00 C ATOM 172 C HIS A 15 -1.056 8.032 12.489 1.00 0.00 C ATOM 173 O HIS A 15 -1.345 9.173 12.130 1.00 0.00 O ATOM 174 CB HIS A 15 -1.776 7.560 14.838 1.00 0.00 C ATOM 175 CG HIS A 15 -1.419 6.952 16.159 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.859 7.673 17.193 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.547 5.684 16.614 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.656 6.874 18.225 1.00 0.00 C ATOM 179 NE2 HIS A 15 -1.066 5.661 17.900 1.00 0.00 N ATOM 0 H HIS A 15 -0.155 9.772 14.310 1.00 0.00 H new ATOM 0 HA HIS A 15 0.021 6.845 13.904 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.255 8.524 15.009 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.508 6.924 14.341 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.952 4.846 16.067 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.228 7.163 19.173 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.031 4.841 18.506 1.00 0.00 H new ATOM 187 N THR A 16 -1.138 6.978 11.683 1.00 0.00 N ATOM 188 CA THR A 16 -1.581 7.105 10.300 1.00 0.00 C ATOM 189 C THR A 16 -2.854 6.305 10.055 1.00 0.00 C ATOM 190 O THR A 16 -2.912 5.097 10.289 1.00 0.00 O ATOM 191 CB THR A 16 -0.494 6.634 9.317 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.988 6.694 7.974 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.053 5.213 9.637 1.00 0.00 C ATOM 0 H THR A 16 -0.903 6.026 11.965 1.00 0.00 H new ATOM 0 HA THR A 16 -1.782 8.162 10.128 1.00 0.00 H new ATOM 0 HB THR A 16 0.366 7.296 9.417 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.112 5.785 7.630 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.715 4.902 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.350 5.176 10.649 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.908 4.541 9.562 1.00 0.00 H new ATOM 201 N PRO A 17 -3.901 6.990 9.570 1.00 0.00 N ATOM 202 CA PRO A 17 -5.193 6.361 9.280 1.00 0.00 C ATOM 203 C PRO A 17 -5.125 5.423 8.080 1.00 0.00 C ATOM 204 O PRO A 17 -4.146 5.423 7.333 1.00 0.00 O ATOM 205 CB PRO A 17 -6.107 7.551 8.978 1.00 0.00 C ATOM 206 CG PRO A 17 -5.187 8.625 8.509 1.00 0.00 C ATOM 207 CD PRO A 17 -3.903 8.430 9.266 1.00 0.00 C ATOM 0 HA PRO A 17 -5.538 5.740 10.106 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.844 7.300 8.215 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.659 7.862 9.865 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.021 8.555 7.434 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.608 9.612 8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.037 8.716 8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.877 9.032 10.174 1.00 0.00 H new ATOM 215 N CYS A 18 -6.172 4.625 7.898 1.00 0.00 N ATOM 216 CA CYS A 18 -6.232 3.682 6.788 1.00 0.00 C ATOM 217 C CYS A 18 -6.664 4.382 5.503 1.00 0.00 C ATOM 218 O CYS A 18 -7.230 5.475 5.538 1.00 0.00 O ATOM 219 CB CYS A 18 -7.200 2.542 7.112 1.00 0.00 C ATOM 220 SG CYS A 18 -7.182 1.184 5.898 1.00 0.00 S ATOM 0 H CYS A 18 -6.991 4.613 8.506 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.234 3.270 6.639 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.955 2.140 8.095 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.211 2.945 7.176 1.00 0.00 H new ATOM 225 N LEU A 19 -6.395 3.743 4.369 1.00 0.00 N ATOM 226 CA LEU A 19 -6.756 4.303 3.071 1.00 0.00 C ATOM 227 C LEU A 19 -8.199 3.963 2.714 1.00 0.00 C ATOM 228 O LEU A 19 -8.925 4.791 2.162 1.00 0.00 O ATOM 229 CB LEU A 19 -5.812 3.779 1.987 1.00 0.00 C ATOM 230 CG LEU A 19 -4.317 3.917 2.275 1.00 0.00 C ATOM 231 CD1 LEU A 19 -4.030 5.226 2.993 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.821 2.736 3.097 1.00 0.00 C ATOM 0 H LEU A 19 -5.928 2.837 4.322 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.662 5.387 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.033 2.725 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.032 4.303 1.057 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.783 3.923 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.961 5.306 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.348 6.061 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.575 5.251 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.755 2.851 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.361 2.698 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.991 1.812 2.545 1.00 0.00 H new ATOM 244 N PHE A 20 -8.610 2.740 3.033 1.00 0.00 N ATOM 245 CA PHE A 20 -9.967 2.290 2.747 1.00 0.00 C ATOM 246 C PHE A 20 -10.910 2.643 3.893 1.00 0.00 C ATOM 247 O PHE A 20 -11.998 3.176 3.676 1.00 0.00 O ATOM 248 CB PHE A 20 -9.985 0.780 2.502 1.00 0.00 C ATOM 249 CG PHE A 20 -9.017 0.332 1.444 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.292 0.540 0.102 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.832 -0.296 1.792 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.403 0.129 -0.873 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.939 -0.710 0.822 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.225 -0.496 -0.513 1.00 0.00 C ATOM 0 H PHE A 20 -8.022 2.043 3.490 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.311 2.801 1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.754 0.266 3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.992 0.479 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.211 1.029 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.603 -0.464 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.629 0.296 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.019 -1.200 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.529 -0.817 -1.274 1.00 0.00 H new ATOM 264 N CYS A 21 -10.485 2.340 5.115 1.00 0.00 N ATOM 265 CA CYS A 21 -11.290 2.623 6.297 1.00 0.00 C ATOM 266 C CYS A 21 -10.707 3.793 7.085 1.00 0.00 C ATOM 267 O CYS A 21 -9.745 4.428 6.653 1.00 0.00 O ATOM 268 CB CYS A 21 -11.374 1.384 7.191 1.00 0.00 C ATOM 269 SG CYS A 21 -9.842 1.021 8.107 1.00 0.00 S ATOM 0 H CYS A 21 -9.587 1.898 5.312 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.293 2.894 5.967 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.187 1.518 7.904 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.629 0.522 6.575 1.00 0.00 H new ATOM 274 N ASP A 22 -11.295 4.070 8.244 1.00 0.00 N ATOM 275 CA ASP A 22 -10.834 5.162 9.093 1.00 0.00 C ATOM 276 C ASP A 22 -10.169 4.624 10.356 1.00 0.00 C ATOM 277 O ASP A 22 -10.463 5.073 11.464 1.00 0.00 O ATOM 278 CB ASP A 22 -12.004 6.074 9.467 1.00 0.00 C ATOM 279 CG ASP A 22 -11.543 7.401 10.037 1.00 0.00 C ATOM 280 OD1 ASP A 22 -10.482 7.428 10.695 1.00 0.00 O ATOM 281 OD2 ASP A 22 -12.244 8.413 9.824 1.00 0.00 O ATOM 0 H ASP A 22 -12.092 3.553 8.617 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.098 5.739 8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.617 6.254 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.637 5.568 10.197 1.00 0.00 H new ATOM 286 N ARG A 23 -9.272 3.658 10.181 1.00 0.00 N ATOM 287 CA ARG A 23 -8.567 3.057 11.307 1.00 0.00 C ATOM 288 C ARG A 23 -7.184 3.680 11.477 1.00 0.00 C ATOM 289 O ARG A 23 -6.386 3.713 10.540 1.00 0.00 O ATOM 290 CB ARG A 23 -8.436 1.547 11.106 1.00 0.00 C ATOM 291 CG ARG A 23 -9.705 0.776 11.436 1.00 0.00 C ATOM 292 CD ARG A 23 -9.484 -0.725 11.346 1.00 0.00 C ATOM 293 NE ARG A 23 -10.516 -1.474 12.058 1.00 0.00 N ATOM 294 CZ ARG A 23 -11.700 -1.772 11.535 1.00 0.00 C ATOM 295 NH1 ARG A 23 -12.000 -1.388 10.302 1.00 0.00 N ATOM 296 NH2 ARG A 23 -12.587 -2.457 12.246 1.00 0.00 N ATOM 0 H ARG A 23 -9.017 3.275 9.271 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.146 3.248 12.210 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.160 1.349 10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.623 1.175 11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.039 1.036 12.440 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.499 1.070 10.750 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.474 -1.028 10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.506 -0.973 11.759 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.317 -1.785 13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.321 -0.862 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.910 -1.618 9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.360 -2.755 13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.496 -2.685 11.844 1.00 0.00 H new ATOM 310 N LEU A 24 -6.908 4.174 12.679 1.00 0.00 N ATOM 311 CA LEU A 24 -5.622 4.797 12.973 1.00 0.00 C ATOM 312 C LEU A 24 -4.601 3.754 13.420 1.00 0.00 C ATOM 313 O LEU A 24 -4.922 2.844 14.184 1.00 0.00 O ATOM 314 CB LEU A 24 -5.785 5.864 14.057 1.00 0.00 C ATOM 315 CG LEU A 24 -6.476 7.158 13.625 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.821 8.009 14.838 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.596 7.936 12.659 1.00 0.00 C ATOM 0 H LEU A 24 -7.557 4.155 13.466 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.258 5.268 12.060 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.350 5.432 14.883 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.797 6.115 14.444 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.402 6.899 13.113 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.312 8.926 14.512 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.490 7.453 15.494 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.908 8.259 15.379 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.104 8.854 12.362 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.653 8.184 13.146 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.400 7.328 11.776 1.00 0.00 H new ATOM 329 N PHE A 25 -3.371 3.895 12.939 1.00 0.00 N ATOM 330 CA PHE A 25 -2.302 2.966 13.290 1.00 0.00 C ATOM 331 C PHE A 25 -1.048 3.719 13.723 1.00 0.00 C ATOM 332 O PHE A 25 -0.844 4.874 13.350 1.00 0.00 O ATOM 333 CB PHE A 25 -1.980 2.055 12.103 1.00 0.00 C ATOM 334 CG PHE A 25 -3.146 1.224 11.651 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.105 1.755 10.804 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.284 -0.089 12.074 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.180 0.992 10.387 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.356 -0.856 11.660 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.305 -0.315 10.815 1.00 0.00 C ATOM 0 H PHE A 25 -3.089 4.643 12.305 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.644 2.355 14.126 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.635 2.667 11.269 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.157 1.394 12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.012 2.776 10.466 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.545 -0.517 12.735 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.921 1.418 9.727 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.452 -1.878 11.997 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.143 -0.913 10.490 1.00 0.00 H new ATOM 349 N ALA A 26 -0.210 3.055 14.513 1.00 0.00 N ATOM 350 CA ALA A 26 1.025 3.660 14.997 1.00 0.00 C ATOM 351 C ALA A 26 1.999 3.910 13.850 1.00 0.00 C ATOM 352 O ALA A 26 2.477 5.029 13.663 1.00 0.00 O ATOM 353 CB ALA A 26 1.667 2.774 16.054 1.00 0.00 C ATOM 0 H ALA A 26 -0.364 2.098 14.831 1.00 0.00 H new ATOM 0 HA ALA A 26 0.779 4.622 15.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.588 3.238 16.407 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.980 2.650 16.891 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.894 1.799 15.623 1.00 0.00 H new ATOM 359 N SER A 27 2.289 2.861 13.087 1.00 0.00 N ATOM 360 CA SER A 27 3.211 2.967 11.962 1.00 0.00 C ATOM 361 C SER A 27 2.527 2.558 10.660 1.00 0.00 C ATOM 362 O SER A 27 1.387 2.095 10.664 1.00 0.00 O ATOM 363 CB SER A 27 4.443 2.093 12.201 1.00 0.00 C ATOM 364 OG SER A 27 5.103 2.458 13.401 1.00 0.00 O ATOM 0 H SER A 27 1.899 1.929 13.227 1.00 0.00 H new ATOM 0 HA SER A 27 3.524 4.007 11.877 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.146 1.046 12.250 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.130 2.190 11.360 1.00 0.00 H new ATOM 0 HG SER A 27 5.886 1.883 13.532 1.00 0.00 H new ATOM 370 N ALA A 28 3.234 2.732 9.548 1.00 0.00 N ATOM 371 CA ALA A 28 2.698 2.379 8.240 1.00 0.00 C ATOM 372 C ALA A 28 2.415 0.884 8.147 1.00 0.00 C ATOM 373 O ALA A 28 1.284 0.472 7.890 1.00 0.00 O ATOM 374 CB ALA A 28 3.663 2.804 7.142 1.00 0.00 C ATOM 0 H ALA A 28 4.179 3.115 9.527 1.00 0.00 H new ATOM 0 HA ALA A 28 1.755 2.910 8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.250 2.534 6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.812 3.883 7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.619 2.300 7.283 1.00 0.00 H new ATOM 380 N GLU A 29 3.449 0.076 8.357 1.00 0.00 N ATOM 381 CA GLU A 29 3.310 -1.375 8.296 1.00 0.00 C ATOM 382 C GLU A 29 2.022 -1.827 8.978 1.00 0.00 C ATOM 383 O GLU A 29 1.216 -2.546 8.389 1.00 0.00 O ATOM 384 CB GLU A 29 4.514 -2.053 8.952 1.00 0.00 C ATOM 385 CG GLU A 29 4.895 -3.375 8.307 1.00 0.00 C ATOM 386 CD GLU A 29 4.178 -4.557 8.931 1.00 0.00 C ATOM 387 OE1 GLU A 29 3.870 -4.492 10.140 1.00 0.00 O ATOM 388 OE2 GLU A 29 3.925 -5.545 8.211 1.00 0.00 O ATOM 0 H GLU A 29 4.392 0.401 8.571 1.00 0.00 H new ATOM 0 HA GLU A 29 3.266 -1.667 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.369 -1.378 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.295 -2.223 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.664 -3.335 7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.972 -3.521 8.394 1.00 0.00 H new ATOM 395 N GLU A 30 1.838 -1.400 10.224 1.00 0.00 N ATOM 396 CA GLU A 30 0.650 -1.763 10.986 1.00 0.00 C ATOM 397 C GLU A 30 -0.606 -1.647 10.126 1.00 0.00 C ATOM 398 O GLU A 30 -1.465 -2.529 10.138 1.00 0.00 O ATOM 399 CB GLU A 30 0.518 -0.871 12.223 1.00 0.00 C ATOM 400 CG GLU A 30 1.513 -1.203 13.322 1.00 0.00 C ATOM 401 CD GLU A 30 2.831 -1.721 12.778 1.00 0.00 C ATOM 402 OE1 GLU A 30 2.818 -2.756 12.080 1.00 0.00 O ATOM 403 OE2 GLU A 30 3.874 -1.092 13.052 1.00 0.00 O ATOM 0 H GLU A 30 2.496 -0.803 10.726 1.00 0.00 H new ATOM 0 HA GLU A 30 0.757 -2.800 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.651 0.169 11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.493 -0.962 12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.697 -0.312 13.922 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.079 -1.951 13.986 1.00 0.00 H new ATOM 410 N THR A 31 -0.705 -0.551 9.380 1.00 0.00 N ATOM 411 CA THR A 31 -1.854 -0.318 8.515 1.00 0.00 C ATOM 412 C THR A 31 -1.876 -1.303 7.351 1.00 0.00 C ATOM 413 O THR A 31 -2.867 -2.000 7.134 1.00 0.00 O ATOM 414 CB THR A 31 -1.855 1.118 7.957 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.356 2.027 8.944 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.257 1.536 7.538 1.00 0.00 C ATOM 0 H THR A 31 -0.003 0.189 9.358 1.00 0.00 H new ATOM 0 HA THR A 31 -2.744 -0.463 9.127 1.00 0.00 H new ATOM 0 HB THR A 31 -1.209 1.143 7.080 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.660 2.591 8.547 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.232 2.553 7.147 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.623 0.860 6.765 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.922 1.495 8.401 1.00 0.00 H new ATOM 424 N PHE A 32 -0.778 -1.355 6.606 1.00 0.00 N ATOM 425 CA PHE A 32 -0.671 -2.256 5.464 1.00 0.00 C ATOM 426 C PHE A 32 -1.073 -3.676 5.851 1.00 0.00 C ATOM 427 O PHE A 32 -1.994 -4.251 5.273 1.00 0.00 O ATOM 428 CB PHE A 32 0.757 -2.249 4.914 1.00 0.00 C ATOM 429 CG PHE A 32 1.109 -0.989 4.176 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.250 -0.465 3.223 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.299 -0.329 4.435 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.573 0.693 2.542 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.627 0.830 3.757 1.00 0.00 C ATOM 434 CZ PHE A 32 1.762 1.343 2.810 1.00 0.00 C ATOM 0 H PHE A 32 0.051 -0.784 6.772 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.353 -1.903 4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.456 -2.385 5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.884 -3.100 4.245 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.682 -0.967 3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.978 -0.725 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.104 1.090 1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.559 1.334 3.967 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.015 2.250 2.281 1.00 0.00 H new ATOM 444 N SER A 33 -0.373 -4.235 6.834 1.00 0.00 N ATOM 445 CA SER A 33 -0.653 -5.589 7.296 1.00 0.00 C ATOM 446 C SER A 33 -2.141 -5.770 7.579 1.00 0.00 C ATOM 447 O SER A 33 -2.706 -6.837 7.335 1.00 0.00 O ATOM 448 CB SER A 33 0.158 -5.898 8.556 1.00 0.00 C ATOM 449 OG SER A 33 1.489 -6.261 8.230 1.00 0.00 O ATOM 0 H SER A 33 0.391 -3.771 7.325 1.00 0.00 H new ATOM 0 HA SER A 33 -0.364 -6.283 6.506 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.165 -5.026 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.318 -6.708 9.109 1.00 0.00 H new ATOM 0 HG SER A 33 2.023 -5.452 8.087 1.00 0.00 H new ATOM 455 N HIS A 34 -2.771 -4.719 8.095 1.00 0.00 N ATOM 456 CA HIS A 34 -4.195 -4.761 8.411 1.00 0.00 C ATOM 457 C HIS A 34 -5.030 -4.891 7.140 1.00 0.00 C ATOM 458 O HIS A 34 -5.901 -5.755 7.044 1.00 0.00 O ATOM 459 CB HIS A 34 -4.605 -3.504 9.179 1.00 0.00 C ATOM 460 CG HIS A 34 -5.998 -3.045 8.876 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.122 -3.688 9.351 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.446 -2.000 8.142 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.201 -3.058 8.921 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.818 -2.030 8.186 1.00 0.00 N ATOM 0 H HIS A 34 -2.319 -3.829 8.303 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.378 -5.635 9.036 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.519 -3.697 10.248 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.907 -2.700 8.944 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.121 -4.520 9.942 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.838 -1.277 7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.222 -3.336 9.134 1.00 0.00 H new ATOM 472 N CYS A 35 -4.758 -4.026 6.169 1.00 0.00 N ATOM 473 CA CYS A 35 -5.485 -4.043 4.905 1.00 0.00 C ATOM 474 C CYS A 35 -5.327 -5.389 4.205 1.00 0.00 C ATOM 475 O CYS A 35 -6.214 -5.828 3.473 1.00 0.00 O ATOM 476 CB CYS A 35 -4.991 -2.919 3.993 1.00 0.00 C ATOM 477 SG CYS A 35 -5.106 -1.270 4.726 1.00 0.00 S ATOM 0 H CYS A 35 -4.040 -3.305 6.233 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.542 -3.888 5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.953 -3.114 3.724 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.568 -2.935 3.069 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.344 -1.015 5.029 1.00 0.00 H new ATOM 483 N LYS A 36 -4.191 -6.038 4.433 1.00 0.00 N ATOM 484 CA LYS A 36 -3.915 -7.334 3.824 1.00 0.00 C ATOM 485 C LYS A 36 -4.721 -8.437 4.502 1.00 0.00 C ATOM 486 O LYS A 36 -4.922 -9.512 3.935 1.00 0.00 O ATOM 487 CB LYS A 36 -2.420 -7.654 3.911 1.00 0.00 C ATOM 488 CG LYS A 36 -1.568 -6.841 2.952 1.00 0.00 C ATOM 489 CD LYS A 36 -0.099 -6.884 3.338 1.00 0.00 C ATOM 490 CE LYS A 36 0.711 -5.856 2.563 1.00 0.00 C ATOM 491 NZ LYS A 36 2.020 -5.576 3.215 1.00 0.00 N ATOM 0 H LYS A 36 -3.446 -5.688 5.035 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.210 -7.284 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.077 -7.475 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.271 -8.714 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.691 -7.226 1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.913 -5.807 2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.003 -6.698 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.299 -7.881 3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.880 -6.217 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.141 -4.931 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.542 -4.871 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.858 -5.208 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.575 -6.454 3.270 1.00 0.00 H new ATOM 505 N LEU A 37 -5.182 -8.164 5.718 1.00 0.00 N ATOM 506 CA LEU A 37 -5.968 -9.133 6.474 1.00 0.00 C ATOM 507 C LEU A 37 -7.462 -8.899 6.270 1.00 0.00 C ATOM 508 O LEU A 37 -8.217 -9.837 6.018 1.00 0.00 O ATOM 509 CB LEU A 37 -5.626 -9.048 7.962 1.00 0.00 C ATOM 510 CG LEU A 37 -4.159 -9.279 8.327 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.818 -8.579 9.634 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.862 -10.768 8.424 1.00 0.00 C ATOM 0 H LEU A 37 -5.025 -7.280 6.201 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.721 -10.129 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.920 -8.064 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.232 -9.780 8.496 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.537 -8.855 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.770 -8.754 9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.992 -7.508 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.447 -8.972 10.432 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.814 -10.914 8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.492 -11.215 9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.067 -11.243 7.465 1.00 0.00 H new ATOM 524 N GLU A 38 -7.879 -7.642 6.378 1.00 0.00 N ATOM 525 CA GLU A 38 -9.282 -7.285 6.204 1.00 0.00 C ATOM 526 C GLU A 38 -9.589 -6.980 4.740 1.00 0.00 C ATOM 527 O GLU A 38 -10.336 -7.707 4.085 1.00 0.00 O ATOM 528 CB GLU A 38 -9.637 -6.077 7.073 1.00 0.00 C ATOM 529 CG GLU A 38 -9.490 -6.336 8.563 1.00 0.00 C ATOM 530 CD GLU A 38 -10.740 -6.938 9.176 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.218 -7.969 8.657 1.00 0.00 O ATOM 532 OE2 GLU A 38 -11.241 -6.379 10.174 1.00 0.00 O ATOM 0 H GLU A 38 -7.266 -6.854 6.585 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.887 -8.137 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.999 -5.239 6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.664 -5.779 6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.648 -7.008 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.256 -5.400 9.070 1.00 0.00 H new ATOM 539 N HIS A 39 -9.007 -5.897 4.234 1.00 0.00 N ATOM 540 CA HIS A 39 -9.217 -5.494 2.848 1.00 0.00 C ATOM 541 C HIS A 39 -8.392 -6.359 1.899 1.00 0.00 C ATOM 542 O HIS A 39 -8.316 -6.084 0.702 1.00 0.00 O ATOM 543 CB HIS A 39 -8.850 -4.021 2.662 1.00 0.00 C ATOM 544 CG HIS A 39 -9.479 -3.115 3.675 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.803 -3.208 4.049 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.957 -2.095 4.395 1.00 0.00 C ATOM 547 CE1 HIS A 39 -11.068 -2.283 4.953 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.965 -1.594 5.182 1.00 0.00 N ATOM 0 H HIS A 39 -8.387 -5.283 4.763 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.272 -5.631 2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.766 -3.915 2.715 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.153 -3.703 1.664 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.473 -3.885 3.684 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.937 -1.741 4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.025 -2.118 5.425 1.00 0.00 H new ATOM 556 N GLN A 40 -7.777 -7.404 2.443 1.00 0.00 N ATOM 557 CA GLN A 40 -6.957 -8.308 1.645 1.00 0.00 C ATOM 558 C GLN A 40 -6.315 -7.571 0.475 1.00 0.00 C ATOM 559 O GLN A 40 -6.249 -8.091 -0.639 1.00 0.00 O ATOM 560 CB GLN A 40 -7.802 -9.474 1.127 1.00 0.00 C ATOM 561 CG GLN A 40 -8.995 -9.037 0.293 1.00 0.00 C ATOM 562 CD GLN A 40 -8.664 -8.920 -1.182 1.00 0.00 C ATOM 563 OE1 GLN A 40 -7.779 -9.610 -1.688 1.00 0.00 O ATOM 564 NE2 GLN A 40 -9.375 -8.043 -1.881 1.00 0.00 N ATOM 0 H GLN A 40 -7.831 -7.646 3.433 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.164 -8.698 2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.171 -10.131 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.157 -10.060 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.807 -9.753 0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.356 -8.075 0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.099 -7.492 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.197 -7.921 -2.878 1.00 0.00 H new ATOM 573 N PHE A 41 -5.844 -6.356 0.735 1.00 0.00 N ATOM 574 CA PHE A 41 -5.208 -5.546 -0.298 1.00 0.00 C ATOM 575 C PHE A 41 -3.759 -5.238 0.068 1.00 0.00 C ATOM 576 O PHE A 41 -3.490 -4.490 1.007 1.00 0.00 O ATOM 577 CB PHE A 41 -5.982 -4.242 -0.502 1.00 0.00 C ATOM 578 CG PHE A 41 -5.139 -3.122 -1.042 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.399 -2.321 -0.188 1.00 0.00 C ATOM 580 CD2 PHE A 41 -5.088 -2.870 -2.403 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.621 -1.290 -0.681 1.00 0.00 C ATOM 582 CE2 PHE A 41 -4.312 -1.841 -2.902 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.579 -1.049 -2.040 1.00 0.00 C ATOM 0 H PHE A 41 -5.891 -5.911 1.651 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.217 -6.115 -1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.811 -4.424 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.415 -3.934 0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.430 -2.504 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.661 -3.484 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.047 -0.674 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.279 -1.656 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.974 -0.243 -2.428 1.00 0.00 H new ATOM 593 N ASN A 42 -2.829 -5.822 -0.681 1.00 0.00 N ATOM 594 CA ASN A 42 -1.407 -5.611 -0.436 1.00 0.00 C ATOM 595 C ASN A 42 -0.898 -4.393 -1.199 1.00 0.00 C ATOM 596 O ASN A 42 -1.255 -4.180 -2.358 1.00 0.00 O ATOM 597 CB ASN A 42 -0.609 -6.852 -0.843 1.00 0.00 C ATOM 598 CG ASN A 42 -1.126 -8.115 -0.181 1.00 0.00 C ATOM 599 OD1 ASN A 42 -2.330 -8.369 -0.160 1.00 0.00 O ATOM 600 ND2 ASN A 42 -0.215 -8.912 0.364 1.00 0.00 N ATOM 0 H ASN A 42 -3.035 -6.445 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.270 -5.432 0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.652 -6.969 -1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.439 -6.709 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.503 -9.776 0.824 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.773 -8.661 0.322 1.00 0.00 H new ATOM 607 N ILE A 43 -0.061 -3.596 -0.541 1.00 0.00 N ATOM 608 CA ILE A 43 0.498 -2.400 -1.158 1.00 0.00 C ATOM 609 C ILE A 43 1.727 -2.737 -1.996 1.00 0.00 C ATOM 610 O ILE A 43 1.904 -2.213 -3.096 1.00 0.00 O ATOM 611 CB ILE A 43 0.885 -1.350 -0.101 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.351 -0.060 -0.779 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.969 -1.895 0.816 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.232 0.714 -1.440 1.00 0.00 C ATOM 0 H ILE A 43 0.244 -3.758 0.419 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.277 -1.986 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 43 0.007 -1.124 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.833 0.577 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.104 -0.304 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.231 -1.141 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.603 -2.789 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.851 -2.147 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.636 1.616 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.236 0.095 -2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.511 0.990 -0.692 1.00 0.00 H new ATOM 626 N ASP A 44 2.572 -3.617 -1.470 1.00 0.00 N ATOM 627 CA ASP A 44 3.784 -4.027 -2.170 1.00 0.00 C ATOM 628 C ASP A 44 3.464 -4.475 -3.593 1.00 0.00 C ATOM 629 O ASP A 44 4.156 -4.107 -4.541 1.00 0.00 O ATOM 630 CB ASP A 44 4.479 -5.157 -1.410 1.00 0.00 C ATOM 631 CG ASP A 44 5.470 -5.912 -2.275 1.00 0.00 C ATOM 632 OD1 ASP A 44 5.026 -6.635 -3.193 1.00 0.00 O ATOM 633 OD2 ASP A 44 6.688 -5.780 -2.035 1.00 0.00 O ATOM 0 H ASP A 44 2.440 -4.060 -0.561 1.00 0.00 H new ATOM 0 HA ASP A 44 4.454 -3.168 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.997 -4.744 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.729 -5.851 -1.031 1.00 0.00 H new ATOM 638 N SER A 45 2.410 -5.273 -3.733 1.00 0.00 N ATOM 639 CA SER A 45 2.001 -5.776 -5.040 1.00 0.00 C ATOM 640 C SER A 45 1.853 -4.633 -6.039 1.00 0.00 C ATOM 641 O SER A 45 2.288 -4.737 -7.186 1.00 0.00 O ATOM 642 CB SER A 45 0.682 -6.542 -4.924 1.00 0.00 C ATOM 643 OG SER A 45 0.243 -6.996 -6.193 1.00 0.00 O ATOM 0 H SER A 45 1.824 -5.585 -2.958 1.00 0.00 H new ATOM 0 HA SER A 45 2.775 -6.453 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.809 -7.392 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.078 -5.898 -4.481 1.00 0.00 H new ATOM 0 HG SER A 45 -0.601 -7.484 -6.092 1.00 0.00 H new ATOM 649 N MET A 46 1.235 -3.544 -5.596 1.00 0.00 N ATOM 650 CA MET A 46 1.030 -2.380 -6.451 1.00 0.00 C ATOM 651 C MET A 46 2.361 -1.838 -6.959 1.00 0.00 C ATOM 652 O MET A 46 2.602 -1.785 -8.165 1.00 0.00 O ATOM 653 CB MET A 46 0.278 -1.287 -5.689 1.00 0.00 C ATOM 654 CG MET A 46 -1.075 -1.736 -5.160 1.00 0.00 C ATOM 655 SD MET A 46 -2.253 -0.378 -5.026 1.00 0.00 S ATOM 656 CE MET A 46 -3.075 -0.484 -6.614 1.00 0.00 C ATOM 0 H MET A 46 0.867 -3.443 -4.650 1.00 0.00 H new ATOM 0 HA MET A 46 0.433 -2.691 -7.309 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.892 -0.950 -4.854 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.136 -0.429 -6.347 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.483 -2.502 -5.820 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.944 -2.196 -4.181 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.234 0.519 -7.009 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.455 -1.053 -7.307 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.037 -0.983 -6.493 1.00 0.00 H new ATOM 666 N VAL A 47 3.224 -1.435 -6.032 1.00 0.00 N ATOM 667 CA VAL A 47 4.532 -0.897 -6.386 1.00 0.00 C ATOM 668 C VAL A 47 5.163 -1.692 -7.524 1.00 0.00 C ATOM 669 O VAL A 47 5.829 -1.130 -8.394 1.00 0.00 O ATOM 670 CB VAL A 47 5.488 -0.904 -5.178 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.856 -0.370 -5.577 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.903 -0.092 -4.032 1.00 0.00 C ATOM 0 H VAL A 47 3.041 -1.471 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 47 4.374 0.132 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 47 5.611 -1.933 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.518 -0.382 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.276 -0.997 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.755 0.652 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.591 -0.107 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.750 0.937 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.948 -0.523 -3.731 1.00 0.00 H new ATOM 682 N HIS A 48 4.949 -3.004 -7.512 1.00 0.00 N ATOM 683 CA HIS A 48 5.496 -3.877 -8.545 1.00 0.00 C ATOM 684 C HIS A 48 4.621 -3.855 -9.794 1.00 0.00 C ATOM 685 O HIS A 48 5.123 -3.774 -10.915 1.00 0.00 O ATOM 686 CB HIS A 48 5.619 -5.308 -8.019 1.00 0.00 C ATOM 687 CG HIS A 48 6.801 -5.516 -7.123 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.102 -5.504 -7.578 1.00 0.00 N ATOM 689 CD2 HIS A 48 6.872 -5.742 -5.790 1.00 0.00 C ATOM 690 CE1 HIS A 48 8.923 -5.715 -6.564 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.201 -5.862 -5.468 1.00 0.00 N ATOM 0 H HIS A 48 4.401 -3.486 -6.799 1.00 0.00 H new ATOM 0 HA HIS A 48 6.487 -3.509 -8.811 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.711 -5.566 -7.474 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.689 -5.993 -8.864 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.038 -5.814 -5.107 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.001 -5.760 -6.622 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.571 -6.036 -4.534 1.00 0.00 H new ATOM 699 N LYS A 49 3.309 -3.929 -9.594 1.00 0.00 N ATOM 700 CA LYS A 49 2.363 -3.918 -10.703 1.00 0.00 C ATOM 701 C LYS A 49 2.621 -2.731 -11.626 1.00 0.00 C ATOM 702 O LYS A 49 3.035 -2.902 -12.773 1.00 0.00 O ATOM 703 CB LYS A 49 0.928 -3.864 -10.176 1.00 0.00 C ATOM 704 CG LYS A 49 -0.105 -4.364 -11.171 1.00 0.00 C ATOM 705 CD LYS A 49 -0.556 -3.257 -12.110 1.00 0.00 C ATOM 706 CE LYS A 49 -1.721 -3.704 -12.979 1.00 0.00 C ATOM 707 NZ LYS A 49 -1.852 -2.867 -14.204 1.00 0.00 N ATOM 0 H LYS A 49 2.877 -3.997 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 49 2.500 -4.837 -11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.862 -4.460 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.689 -2.836 -9.902 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.315 -5.186 -11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.967 -4.761 -10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.849 -2.382 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.277 -2.954 -12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.582 -4.747 -13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.645 -3.652 -12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.764 -3.064 -14.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.806 -1.861 -13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.078 -3.090 -14.861 1.00 0.00 H new ATOM 721 N HIS A 50 2.376 -1.527 -11.118 1.00 0.00 N ATOM 722 CA HIS A 50 2.584 -0.312 -11.896 1.00 0.00 C ATOM 723 C HIS A 50 4.013 0.198 -11.737 1.00 0.00 C ATOM 724 O HIS A 50 4.298 1.368 -11.988 1.00 0.00 O ATOM 725 CB HIS A 50 1.594 0.771 -11.466 1.00 0.00 C ATOM 726 CG HIS A 50 0.164 0.417 -11.737 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.827 0.030 -10.900 1.00 0.00 N flip ATOM 728 CD2 HIS A 50 -0.389 0.438 -13.000 1.00 0.00 C flip ATOM 729 CE1 HIS A 50 -1.950 -0.172 -11.664 1.00 0.00 C flip ATOM 730 NE2 HIS A 50 -1.659 0.081 -12.928 1.00 0.00 N flip ATOM 0 H HIS A 50 2.033 -1.367 -10.171 1.00 0.00 H new ATOM 0 HA HIS A 50 2.417 -0.551 -12.946 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.717 0.961 -10.400 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.835 1.699 -11.985 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.753 -0.089 -9.890 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.134 0.705 -13.906 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.914 -0.486 -11.292 1.00 0.00 H new ATOM 738 N GLY A 51 4.910 -0.690 -11.317 1.00 0.00 N ATOM 739 CA GLY A 51 6.298 -0.312 -11.130 1.00 0.00 C ATOM 740 C GLY A 51 6.446 1.071 -10.526 1.00 0.00 C ATOM 741 O GLY A 51 7.319 1.842 -10.927 1.00 0.00 O ATOM 0 H GLY A 51 4.699 -1.665 -11.103 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.786 -1.041 -10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.812 -0.343 -12.091 1.00 0.00 H new ATOM 745 N LEU A 52 5.590 1.387 -9.561 1.00 0.00 N ATOM 746 CA LEU A 52 5.628 2.687 -8.900 1.00 0.00 C ATOM 747 C LEU A 52 7.063 3.096 -8.585 1.00 0.00 C ATOM 748 O LEU A 52 7.954 2.252 -8.500 1.00 0.00 O ATOM 749 CB LEU A 52 4.801 2.653 -7.614 1.00 0.00 C ATOM 750 CG LEU A 52 3.331 2.262 -7.772 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.687 2.046 -6.411 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.578 3.326 -8.557 1.00 0.00 C ATOM 0 H LEU A 52 4.861 0.761 -9.219 1.00 0.00 H new ATOM 0 HA LEU A 52 5.200 3.424 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.270 1.953 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.846 3.638 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 52 3.281 1.325 -8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.641 1.768 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.210 1.248 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.747 2.966 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.534 3.031 -8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.636 4.277 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.024 3.432 -9.546 1.00 0.00 H new ATOM 764 N GLU A 53 7.278 4.397 -8.411 1.00 0.00 N ATOM 765 CA GLU A 53 8.605 4.917 -8.103 1.00 0.00 C ATOM 766 C GLU A 53 8.561 5.835 -6.885 1.00 0.00 C ATOM 767 O GLU A 53 7.497 6.079 -6.315 1.00 0.00 O ATOM 768 CB GLU A 53 9.172 5.673 -9.306 1.00 0.00 C ATOM 769 CG GLU A 53 9.623 4.765 -10.438 1.00 0.00 C ATOM 770 CD GLU A 53 10.929 4.058 -10.134 1.00 0.00 C ATOM 771 OE1 GLU A 53 11.793 4.668 -9.471 1.00 0.00 O ATOM 772 OE2 GLU A 53 11.087 2.894 -10.560 1.00 0.00 O ATOM 0 H GLU A 53 6.551 5.109 -8.478 1.00 0.00 H new ATOM 0 HA GLU A 53 9.255 4.072 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.414 6.360 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.017 6.279 -8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.849 4.023 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.736 5.354 -11.348 1.00 0.00 H new ATOM 779 N PHE A 54 9.724 6.343 -6.491 1.00 0.00 N ATOM 780 CA PHE A 54 9.819 7.234 -5.341 1.00 0.00 C ATOM 781 C PHE A 54 8.578 8.114 -5.230 1.00 0.00 C ATOM 782 O PHE A 54 7.934 8.169 -4.182 1.00 0.00 O ATOM 783 CB PHE A 54 11.070 8.108 -5.448 1.00 0.00 C ATOM 784 CG PHE A 54 11.048 9.301 -4.536 1.00 0.00 C ATOM 785 CD1 PHE A 54 11.182 9.145 -3.166 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.892 10.579 -5.049 1.00 0.00 C ATOM 787 CE1 PHE A 54 11.163 10.241 -2.324 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.872 11.678 -4.212 1.00 0.00 C ATOM 789 CZ PHE A 54 11.006 11.509 -2.848 1.00 0.00 C ATOM 0 H PHE A 54 10.614 6.153 -6.951 1.00 0.00 H new ATOM 0 HA PHE A 54 9.889 6.620 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.947 7.502 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.178 8.450 -6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.303 8.155 -2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.785 10.717 -6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.271 10.106 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.752 12.669 -4.624 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.988 12.367 -2.192 1.00 0.00 H new ATOM 799 N TYR A 55 8.249 8.801 -6.318 1.00 0.00 N ATOM 800 CA TYR A 55 7.087 9.682 -6.344 1.00 0.00 C ATOM 801 C TYR A 55 5.815 8.896 -6.648 1.00 0.00 C ATOM 802 O TYR A 55 4.797 9.056 -5.976 1.00 0.00 O ATOM 803 CB TYR A 55 7.280 10.785 -7.385 1.00 0.00 C ATOM 804 CG TYR A 55 8.033 11.987 -6.862 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.433 12.877 -5.979 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.344 12.232 -7.249 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.117 13.977 -5.499 1.00 0.00 C ATOM 808 CE2 TYR A 55 10.037 13.329 -6.773 1.00 0.00 C ATOM 809 CZ TYR A 55 9.419 14.198 -5.899 1.00 0.00 C ATOM 810 OH TYR A 55 10.104 15.292 -5.422 1.00 0.00 O ATOM 0 H TYR A 55 8.770 8.765 -7.194 1.00 0.00 H new ATOM 0 HA TYR A 55 6.985 10.137 -5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.816 10.375 -8.241 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.303 11.108 -7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.415 12.706 -5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.831 11.553 -7.934 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.636 14.660 -4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 55 11.056 13.504 -7.084 1.00 0.00 H new ATOM 0 HH TYR A 55 11.008 15.302 -5.799 1.00 0.00 H new ATOM 820 N GLY A 56 5.882 8.045 -7.667 1.00 0.00 N ATOM 821 CA GLY A 56 4.730 7.246 -8.044 1.00 0.00 C ATOM 822 C GLY A 56 4.005 6.672 -6.843 1.00 0.00 C ATOM 823 O GLY A 56 2.800 6.867 -6.686 1.00 0.00 O ATOM 0 H GLY A 56 6.713 7.894 -8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.039 7.860 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.053 6.432 -8.693 1.00 0.00 H new ATOM 827 N TYR A 57 4.740 5.962 -5.994 1.00 0.00 N ATOM 828 CA TYR A 57 4.159 5.354 -4.803 1.00 0.00 C ATOM 829 C TYR A 57 3.396 6.389 -3.981 1.00 0.00 C ATOM 830 O TYR A 57 2.270 6.144 -3.545 1.00 0.00 O ATOM 831 CB TYR A 57 5.252 4.712 -3.948 1.00 0.00 C ATOM 832 CG TYR A 57 4.832 4.463 -2.516 1.00 0.00 C ATOM 833 CD1 TYR A 57 4.096 3.335 -2.174 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.172 5.355 -1.507 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.710 3.104 -0.868 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.791 5.131 -0.198 1.00 0.00 C ATOM 837 CZ TYR A 57 4.060 4.004 0.117 1.00 0.00 C ATOM 838 OH TYR A 57 3.678 3.778 1.419 1.00 0.00 O ATOM 0 H TYR A 57 5.739 5.793 -6.109 1.00 0.00 H new ATOM 0 HA TYR A 57 3.459 4.583 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.547 3.766 -4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.131 5.356 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.821 2.627 -2.942 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.744 6.238 -1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.137 2.223 -0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.064 5.834 0.575 1.00 0.00 H new ATOM 0 HH TYR A 57 4.019 4.498 1.990 1.00 0.00 H new ATOM 848 N ILE A 58 4.017 7.545 -3.773 1.00 0.00 N ATOM 849 CA ILE A 58 3.397 8.617 -3.005 1.00 0.00 C ATOM 850 C ILE A 58 1.976 8.888 -3.488 1.00 0.00 C ATOM 851 O ILE A 58 1.042 8.975 -2.689 1.00 0.00 O ATOM 852 CB ILE A 58 4.214 9.919 -3.095 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.603 9.718 -2.485 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.482 11.054 -2.394 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.579 10.821 -2.828 1.00 0.00 C ATOM 0 H ILE A 58 4.949 7.763 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 58 3.369 8.286 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 58 4.333 10.184 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.509 9.651 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.008 8.766 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.072 11.967 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.513 11.210 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.335 10.799 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.542 10.612 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.703 10.874 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.196 11.773 -2.460 1.00 0.00 H new ATOM 867 N LYS A 59 1.818 9.020 -4.800 1.00 0.00 N ATOM 868 CA LYS A 59 0.510 9.278 -5.392 1.00 0.00 C ATOM 869 C LYS A 59 -0.482 8.181 -5.020 1.00 0.00 C ATOM 870 O LYS A 59 -1.628 8.460 -4.666 1.00 0.00 O ATOM 871 CB LYS A 59 0.628 9.380 -6.914 1.00 0.00 C ATOM 872 CG LYS A 59 1.566 10.480 -7.380 1.00 0.00 C ATOM 873 CD LYS A 59 1.495 10.672 -8.886 1.00 0.00 C ATOM 874 CE LYS A 59 2.703 11.437 -9.407 1.00 0.00 C ATOM 875 NZ LYS A 59 2.630 11.652 -10.879 1.00 0.00 N ATOM 0 H LYS A 59 2.580 8.953 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 59 0.141 10.225 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.977 8.425 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.362 9.555 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.309 11.414 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.588 10.235 -7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.439 9.700 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.583 11.211 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.768 12.401 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.613 10.888 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.471 12.176 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.593 10.732 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.775 12.198 -11.108 1.00 0.00 H new ATOM 889 N LEU A 60 -0.034 6.933 -5.101 1.00 0.00 N ATOM 890 CA LEU A 60 -0.882 5.793 -4.771 1.00 0.00 C ATOM 891 C LEU A 60 -1.555 5.988 -3.417 1.00 0.00 C ATOM 892 O LEU A 60 -2.761 5.781 -3.276 1.00 0.00 O ATOM 893 CB LEU A 60 -0.057 4.504 -4.763 1.00 0.00 C ATOM 894 CG LEU A 60 -0.834 3.212 -4.508 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.060 3.010 -3.018 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.161 3.232 -5.252 1.00 0.00 C ATOM 0 H LEU A 60 0.911 6.685 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.658 5.716 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.451 4.415 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.716 4.596 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.243 2.376 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.614 2.086 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.098 2.950 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.630 3.849 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.700 2.305 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.758 4.077 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.977 3.329 -6.322 1.00 0.00 H new ATOM 908 N ILE A 61 -0.769 6.391 -2.424 1.00 0.00 N ATOM 909 CA ILE A 61 -1.290 6.618 -1.082 1.00 0.00 C ATOM 910 C ILE A 61 -2.289 7.770 -1.067 1.00 0.00 C ATOM 911 O ILE A 61 -3.477 7.571 -0.819 1.00 0.00 O ATOM 912 CB ILE A 61 -0.158 6.922 -0.083 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.822 5.749 -0.016 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.733 7.219 1.294 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.151 4.415 0.227 1.00 0.00 C ATOM 0 H ILE A 61 0.231 6.567 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.794 5.700 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 61 0.383 7.803 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.382 5.700 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.544 5.934 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.079 7.432 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.395 8.083 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.296 6.355 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.906 3.629 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.386 4.445 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.550 4.208 -0.581 1.00 0.00 H new ATOM 927 N ASN A 62 -1.798 8.975 -1.338 1.00 0.00 N ATOM 928 CA ASN A 62 -2.648 10.160 -1.357 1.00 0.00 C ATOM 929 C ASN A 62 -3.866 9.940 -2.248 1.00 0.00 C ATOM 930 O ASN A 62 -4.918 10.546 -2.041 1.00 0.00 O ATOM 931 CB ASN A 62 -1.855 11.374 -1.848 1.00 0.00 C ATOM 932 CG ASN A 62 -0.591 11.602 -1.043 1.00 0.00 C ATOM 933 OD1 ASN A 62 -0.579 11.435 0.177 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.483 11.987 -1.724 1.00 0.00 N ATOM 0 H ASN A 62 -0.816 9.157 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.993 10.347 -0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.594 11.234 -2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.484 12.263 -1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.363 12.156 -1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.428 12.113 -2.735 1.00 0.00 H new ATOM 941 N PHE A 63 -3.718 9.069 -3.241 1.00 0.00 N ATOM 942 CA PHE A 63 -4.806 8.770 -4.164 1.00 0.00 C ATOM 943 C PHE A 63 -5.999 8.174 -3.423 1.00 0.00 C ATOM 944 O PHE A 63 -7.089 8.748 -3.417 1.00 0.00 O ATOM 945 CB PHE A 63 -4.330 7.801 -5.249 1.00 0.00 C ATOM 946 CG PHE A 63 -5.432 7.321 -6.150 1.00 0.00 C ATOM 947 CD1 PHE A 63 -5.945 8.145 -7.139 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.956 6.047 -6.007 1.00 0.00 C ATOM 949 CE1 PHE A 63 -6.959 7.707 -7.970 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.969 5.602 -6.835 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.472 6.434 -7.816 1.00 0.00 C ATOM 0 H PHE A 63 -2.855 8.558 -3.427 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.120 9.703 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.566 8.291 -5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.859 6.940 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.548 9.142 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.568 5.394 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.349 8.359 -8.738 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.367 4.605 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.266 6.089 -8.462 1.00 0.00 H new ATOM 961 N ILE A 64 -5.786 7.020 -2.801 1.00 0.00 N ATOM 962 CA ILE A 64 -6.843 6.347 -2.057 1.00 0.00 C ATOM 963 C ILE A 64 -7.392 7.242 -0.951 1.00 0.00 C ATOM 964 O ILE A 64 -8.483 7.005 -0.432 1.00 0.00 O ATOM 965 CB ILE A 64 -6.343 5.030 -1.435 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.626 4.182 -2.488 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.503 4.257 -0.825 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.189 2.827 -1.978 1.00 0.00 C ATOM 0 H ILE A 64 -4.891 6.531 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.637 6.124 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.634 5.267 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.288 4.043 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.752 4.725 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.133 3.329 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.973 4.860 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.235 4.028 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.688 2.281 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.502 2.957 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.062 2.264 -1.646 1.00 0.00 H new ATOM 980 N ARG A 65 -6.630 8.271 -0.597 1.00 0.00 N ATOM 981 CA ARG A 65 -7.041 9.203 0.447 1.00 0.00 C ATOM 982 C ARG A 65 -8.045 10.216 -0.093 1.00 0.00 C ATOM 983 O ARG A 65 -9.006 10.577 0.587 1.00 0.00 O ATOM 984 CB ARG A 65 -5.823 9.931 1.018 1.00 0.00 C ATOM 985 CG ARG A 65 -4.786 9.000 1.626 1.00 0.00 C ATOM 986 CD ARG A 65 -5.233 8.479 2.983 1.00 0.00 C ATOM 987 NE ARG A 65 -4.099 8.170 3.850 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.223 7.620 5.053 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.423 7.319 5.528 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.143 7.369 5.783 1.00 0.00 N ATOM 0 H ARG A 65 -5.725 8.481 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.520 8.631 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.355 10.515 0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.156 10.637 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.610 8.161 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.839 9.528 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.867 9.223 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.839 7.584 2.846 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.161 8.388 3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.255 7.509 4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.515 6.897 6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.218 7.598 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.239 6.947 6.707 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.817 10.671 -1.320 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.701 11.644 -1.953 1.00 0.00 C ATOM 1006 C LEU A 66 -9.890 10.951 -2.611 1.00 0.00 C ATOM 1007 O LEU A 66 -11.032 11.393 -2.479 1.00 0.00 O ATOM 1008 CB LEU A 66 -7.933 12.462 -2.992 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.711 13.593 -3.665 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.781 14.744 -4.017 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.426 13.083 -4.907 1.00 0.00 C ATOM 0 H LEU A 66 -7.027 10.382 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.077 12.314 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.053 12.889 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.575 11.784 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.461 13.960 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.352 15.540 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.316 15.127 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.008 14.391 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.975 13.902 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.694 12.689 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.122 12.293 -4.627 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.615 9.862 -3.320 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.660 9.104 -3.997 1.00 0.00 C ATOM 1025 C LYS A 67 -11.334 8.128 -3.038 1.00 0.00 C ATOM 1026 O LYS A 67 -12.555 8.130 -2.892 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.076 8.343 -5.190 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.359 9.234 -6.188 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.332 10.137 -6.929 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.737 9.539 -8.268 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.933 8.660 -8.143 1.00 0.00 N ATOM 0 H LYS A 67 -8.675 9.484 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.410 9.809 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.380 7.589 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.880 7.813 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.620 9.843 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.816 8.617 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.220 10.297 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.875 11.113 -7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.948 10.341 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.905 8.965 -8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.634 7.664 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.425 8.868 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.577 8.834 -8.941 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.528 7.297 -2.385 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.047 6.316 -1.438 1.00 0.00 C ATOM 1047 C ASN A 68 -11.961 5.315 -2.138 1.00 0.00 C ATOM 1048 O ASN A 68 -13.104 5.096 -1.737 1.00 0.00 O ATOM 1049 CB ASN A 68 -11.807 7.017 -0.311 1.00 0.00 C ATOM 1050 CG ASN A 68 -10.889 7.804 0.605 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -10.148 7.096 1.449 1.00 0.00 O flip ATOM 1052 ND2 ASN A 68 -10.847 9.033 0.552 1.00 0.00 N flip ATOM 0 H ASN A 68 -9.514 7.283 -2.494 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.202 5.774 -1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.550 7.689 -0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.350 6.274 0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.435 9.535 -0.113 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.224 9.549 1.173 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.446 4.692 -3.208 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.199 3.703 -3.986 1.00 0.00 C ATOM 1061 C PRO A 69 -12.420 2.406 -3.215 1.00 0.00 C ATOM 1062 O PRO A 69 -12.258 2.361 -1.995 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.305 3.456 -5.204 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.930 3.791 -4.740 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.090 4.905 -3.742 1.00 0.00 C ATOM 0 HA PRO A 69 -13.199 4.057 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.369 2.420 -5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.602 4.081 -6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.450 2.925 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.301 4.102 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.336 4.852 -2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.992 5.883 -4.213 1.00 0.00 H new ATOM 1073 N THR A 70 -12.790 1.351 -3.935 1.00 0.00 N ATOM 1074 CA THR A 70 -13.034 0.053 -3.318 1.00 0.00 C ATOM 1075 C THR A 70 -11.985 -0.966 -3.749 1.00 0.00 C ATOM 1076 O THR A 70 -11.589 -1.009 -4.913 1.00 0.00 O ATOM 1077 CB THR A 70 -14.433 -0.485 -3.676 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.706 -1.674 -2.928 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.534 -0.781 -5.165 1.00 0.00 C ATOM 0 H THR A 70 -12.927 1.370 -4.946 1.00 0.00 H new ATOM 0 HA THR A 70 -12.974 0.199 -2.240 1.00 0.00 H new ATOM 0 HB THR A 70 -15.168 0.279 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.597 -2.009 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.530 -1.160 -5.394 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.354 0.133 -5.731 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.790 -1.529 -5.439 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.539 -1.785 -2.801 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.536 -2.805 -3.083 1.00 0.00 C ATOM 1089 C VAL A 71 -10.731 -3.397 -4.475 1.00 0.00 C ATOM 1090 O VAL A 71 -9.815 -3.387 -5.297 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.584 -3.940 -2.043 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.598 -5.040 -2.408 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.299 -3.399 -0.651 1.00 0.00 C ATOM 0 H VAL A 71 -11.856 -1.762 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.563 -2.316 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.587 -4.368 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.646 -5.833 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.852 -5.446 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.589 -4.629 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.337 -4.215 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.309 -2.944 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.047 -2.650 -0.392 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.929 -3.911 -4.731 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.243 -4.508 -6.024 1.00 0.00 C ATOM 1105 C GLU A 72 -11.824 -3.585 -7.165 1.00 0.00 C ATOM 1106 O GLU A 72 -11.270 -4.034 -8.169 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.740 -4.809 -6.122 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.220 -5.840 -5.114 1.00 0.00 C ATOM 1109 CD GLU A 72 -14.143 -7.258 -5.647 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.139 -7.588 -6.312 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -15.087 -8.036 -5.399 1.00 0.00 O ATOM 0 H GLU A 72 -12.698 -3.926 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.686 -5.441 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.298 -3.884 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.966 -5.164 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.619 -5.764 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.249 -5.617 -4.834 1.00 0.00 H new ATOM 1118 N TYR A 73 -12.093 -2.294 -7.004 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.746 -1.309 -8.021 1.00 0.00 C ATOM 1120 C TYR A 73 -10.233 -1.190 -8.172 1.00 0.00 C ATOM 1121 O TYR A 73 -9.692 -1.360 -9.264 1.00 0.00 O ATOM 1122 CB TYR A 73 -12.342 0.054 -7.664 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.780 1.194 -8.482 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -12.325 1.525 -9.716 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.703 1.941 -8.020 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.814 2.566 -10.467 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -10.186 2.984 -8.764 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.744 3.292 -9.987 1.00 0.00 C ATOM 1129 OH TYR A 73 -10.233 4.330 -10.731 1.00 0.00 O ATOM 0 H TYR A 73 -12.550 -1.906 -6.179 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.162 -1.644 -8.971 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.422 0.016 -7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.163 0.254 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.163 0.959 -10.095 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.263 1.702 -7.063 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.250 2.810 -11.425 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.349 3.555 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.859 5.009 -10.132 1.00 0.00 H new ATOM 1139 N MET A 74 -9.555 -0.899 -7.066 1.00 0.00 N ATOM 1140 CA MET A 74 -8.104 -0.760 -7.074 1.00 0.00 C ATOM 1141 C MET A 74 -7.458 -1.846 -7.928 1.00 0.00 C ATOM 1142 O MET A 74 -6.619 -1.561 -8.782 1.00 0.00 O ATOM 1143 CB MET A 74 -7.556 -0.823 -5.647 1.00 0.00 C ATOM 1144 CG MET A 74 -7.908 0.393 -4.806 1.00 0.00 C ATOM 1145 SD MET A 74 -7.424 1.943 -5.590 1.00 0.00 S ATOM 1146 CE MET A 74 -5.650 1.724 -5.705 1.00 0.00 C ATOM 0 H MET A 74 -9.988 -0.755 -6.154 1.00 0.00 H new ATOM 0 HA MET A 74 -7.860 0.210 -7.506 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.942 -1.717 -5.158 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.472 -0.925 -5.687 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.982 0.404 -4.621 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.418 0.313 -3.835 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.157 2.692 -5.613 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.312 1.067 -4.904 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.400 1.280 -6.668 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.855 -3.093 -7.691 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.313 -4.222 -8.438 1.00 0.00 C ATOM 1158 C ASN A 75 -7.614 -4.083 -9.927 1.00 0.00 C ATOM 1159 O ASN A 75 -6.827 -4.510 -10.772 1.00 0.00 O ATOM 1160 CB ASN A 75 -7.894 -5.535 -7.909 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.447 -5.836 -6.492 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.356 -5.444 -6.077 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.290 -6.536 -5.742 1.00 0.00 N ATOM 0 H ASN A 75 -8.549 -3.346 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.231 -4.230 -8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.982 -5.486 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.592 -6.353 -8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.044 -6.769 -4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.184 -6.840 -6.128 1.00 0.00 H new ATOM 1170 N SER A 76 -8.757 -3.483 -10.241 1.00 0.00 N ATOM 1171 CA SER A 76 -9.164 -3.290 -11.629 1.00 0.00 C ATOM 1172 C SER A 76 -8.808 -1.886 -12.109 1.00 0.00 C ATOM 1173 O SER A 76 -9.672 -1.012 -12.199 1.00 0.00 O ATOM 1174 CB SER A 76 -10.667 -3.527 -11.779 1.00 0.00 C ATOM 1175 OG SER A 76 -11.071 -3.401 -13.132 1.00 0.00 O ATOM 0 H SER A 76 -9.418 -3.122 -9.554 1.00 0.00 H new ATOM 0 HA SER A 76 -8.627 -4.012 -12.244 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.920 -4.522 -11.412 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.214 -2.812 -11.165 1.00 0.00 H new ATOM 0 HG SER A 76 -12.036 -3.559 -13.201 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.532 -1.677 -12.415 1.00 0.00 N ATOM 1182 CA ILE A 77 -7.062 -0.381 -12.886 1.00 0.00 C ATOM 1183 C ILE A 77 -5.959 -0.541 -13.927 1.00 0.00 C ATOM 1184 O ILE A 77 -5.239 -1.540 -13.934 1.00 0.00 O ATOM 1185 CB ILE A 77 -6.536 0.484 -11.726 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -7.701 1.016 -10.888 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.693 1.632 -12.260 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.263 1.831 -9.692 1.00 0.00 C ATOM 0 H ILE A 77 -6.805 -2.389 -12.345 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.918 0.118 -13.340 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.907 -0.136 -11.087 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.342 1.630 -11.521 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.304 0.176 -10.544 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.329 2.234 -11.427 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.846 1.233 -12.817 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.300 2.253 -12.919 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.141 2.175 -9.145 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.646 1.215 -9.038 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.686 2.692 -10.030 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.831 0.450 -14.802 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.815 0.419 -15.848 1.00 0.00 C ATOM 1202 C TYR A 78 -4.212 1.803 -16.063 1.00 0.00 C ATOM 1203 O TYR A 78 -4.549 2.755 -15.360 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.416 -0.097 -17.157 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.668 0.638 -17.579 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -6.634 1.995 -17.875 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -7.886 -0.024 -17.681 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -7.776 2.671 -18.260 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -9.032 0.643 -18.067 1.00 0.00 C ATOM 1210 CZ TYR A 78 -8.972 1.991 -18.355 1.00 0.00 C ATOM 1211 OH TYR A 78 -10.112 2.659 -18.739 1.00 0.00 O ATOM 0 H TYR A 78 -6.418 1.284 -14.808 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.022 -0.257 -15.529 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.671 -0.012 -17.948 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.646 -1.157 -17.049 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.699 2.531 -17.803 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.937 -1.079 -17.454 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.732 3.726 -18.485 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.970 0.113 -18.143 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.867 2.034 -18.757 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.318 1.907 -17.041 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.667 3.175 -17.350 1.00 0.00 C ATOM 1223 C ASN A 79 -3.361 3.872 -18.516 1.00 0.00 C ATOM 1224 O ASN A 79 -3.827 3.238 -19.463 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.191 2.946 -17.683 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.554 1.895 -16.794 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.007 2.210 -15.745 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.638 0.637 -17.213 1.00 0.00 N ATOM 0 H ASN A 79 -3.028 1.129 -17.633 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.739 3.816 -16.472 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.100 2.640 -18.725 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.648 3.885 -17.578 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.228 -0.114 -16.658 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.113 0.422 -18.090 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.430 5.210 -18.449 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.879 5.976 -17.327 1.00 0.00 C ATOM 1237 C PRO A 80 -3.672 5.772 -16.040 1.00 0.00 C ATOM 1238 O PRO A 80 -4.895 5.908 -16.025 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.991 7.428 -17.799 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.107 7.420 -18.786 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.053 6.078 -19.462 1.00 0.00 C ATOM 0 HA PRO A 80 -1.861 5.669 -17.085 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.203 8.100 -16.967 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.062 7.769 -18.255 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.067 7.569 -18.291 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.993 8.227 -19.510 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.048 5.726 -19.736 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.464 6.113 -20.378 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.967 5.444 -14.962 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.605 5.223 -13.670 1.00 0.00 C ATOM 1251 C VAL A 81 -4.327 6.478 -13.191 1.00 0.00 C ATOM 1252 O VAL A 81 -3.950 7.603 -13.518 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.580 4.795 -12.603 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.932 3.473 -12.986 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.529 5.877 -12.411 1.00 0.00 C ATOM 0 H VAL A 81 -1.954 5.325 -14.958 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.330 4.421 -13.809 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.102 4.656 -11.657 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.211 3.186 -12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.699 2.703 -13.069 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.422 3.582 -13.943 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.813 5.558 -11.654 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.008 6.050 -13.353 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.011 6.800 -12.089 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.389 6.283 -12.396 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.185 7.387 -11.853 1.00 0.00 C ATOM 1267 C PRO A 82 -5.424 8.190 -10.804 1.00 0.00 C ATOM 1268 O PRO A 82 -5.954 9.144 -10.234 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.386 6.681 -11.219 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.893 5.313 -10.895 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.895 4.968 -11.965 1.00 0.00 C ATOM 0 HA PRO A 82 -6.456 8.110 -12.622 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.724 7.202 -10.324 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.232 6.645 -11.906 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.431 5.288 -9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.714 4.596 -10.881 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.095 4.336 -11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.360 4.427 -12.789 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.180 7.797 -10.553 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.346 8.482 -9.572 1.00 0.00 C ATOM 1281 C TRP A 83 -2.065 9.002 -10.214 1.00 0.00 C ATOM 1282 O TRP A 83 -1.060 9.208 -9.535 1.00 0.00 O ATOM 1283 CB TRP A 83 -3.005 7.539 -8.416 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.126 6.395 -8.823 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.773 6.427 -9.008 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.538 5.052 -9.096 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.320 5.185 -9.380 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.383 4.323 -9.440 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.770 4.393 -9.081 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.426 2.970 -9.766 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.812 3.050 -9.406 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.646 2.350 -9.744 1.00 0.00 C ATOM 0 H TRP A 83 -3.727 7.008 -11.015 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.907 9.333 -9.185 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.510 8.106 -7.628 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.929 7.145 -7.993 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.151 7.301 -8.880 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.651 4.944 -9.579 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.674 4.924 -8.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.528 2.429 -10.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.759 2.532 -9.399 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.711 1.301 -9.992 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.109 9.213 -11.526 1.00 0.00 N ATOM 1304 CA GLU A 84 -0.950 9.709 -12.259 1.00 0.00 C ATOM 1305 C GLU A 84 -0.973 11.233 -12.346 1.00 0.00 C ATOM 1306 O GLU A 84 -0.240 11.832 -13.132 1.00 0.00 O ATOM 1307 CB GLU A 84 -0.912 9.108 -13.665 1.00 0.00 C ATOM 1308 CG GLU A 84 0.061 7.950 -13.806 1.00 0.00 C ATOM 1309 CD GLU A 84 1.424 8.390 -14.305 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.495 9.424 -15.001 1.00 0.00 O ATOM 1311 OE2 GLU A 84 2.418 7.699 -13.999 1.00 0.00 O ATOM 0 H GLU A 84 -2.934 9.048 -12.103 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.053 9.406 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.912 8.766 -13.932 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.641 9.888 -14.377 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.174 7.456 -12.841 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.354 7.214 -14.495 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.821 11.853 -11.532 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.941 13.306 -11.514 1.00 0.00 C ATOM 1320 C LYS A 85 -0.866 13.930 -10.630 1.00 0.00 C ATOM 1321 O LYS A 85 -0.222 13.241 -9.838 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.328 13.718 -11.016 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.384 13.742 -12.108 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.772 12.337 -12.539 1.00 0.00 C ATOM 1325 CE LYS A 85 -3.957 11.877 -13.738 1.00 0.00 C ATOM 1326 NZ LYS A 85 -4.720 10.927 -14.595 1.00 0.00 N ATOM 0 H LYS A 85 -2.436 11.371 -10.876 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.805 13.669 -12.533 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.643 13.029 -10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.263 14.707 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.267 14.271 -11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.007 14.296 -12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.622 11.646 -11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.833 12.311 -12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.661 12.743 -14.330 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.040 11.399 -13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.131 10.637 -15.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.981 10.089 -14.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.582 11.391 -14.946 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.677 15.238 -10.770 1.00 0.00 N ATOM 1341 CA ASP A 86 0.319 15.955 -9.982 1.00 0.00 C ATOM 1342 C ASP A 86 -0.250 16.358 -8.625 1.00 0.00 C ATOM 1343 O ASP A 86 0.444 16.304 -7.610 1.00 0.00 O ATOM 1344 CB ASP A 86 0.800 17.196 -10.736 1.00 0.00 C ATOM 1345 CG ASP A 86 1.373 16.859 -12.099 1.00 0.00 C ATOM 1346 OD1 ASP A 86 1.918 15.747 -12.254 1.00 0.00 O ATOM 1347 OD2 ASP A 86 1.277 17.709 -13.009 1.00 0.00 O ATOM 0 H ASP A 86 -1.200 15.823 -11.422 1.00 0.00 H new ATOM 0 HA ASP A 86 1.166 15.288 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.032 17.890 -10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.558 17.707 -10.143 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.516 16.762 -8.616 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.176 17.176 -7.383 1.00 0.00 C ATOM 1354 C GLU A 87 -1.995 16.126 -6.290 1.00 0.00 C ATOM 1355 O GLU A 87 -1.777 16.459 -5.125 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.667 17.416 -7.632 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.953 18.655 -8.464 1.00 0.00 C ATOM 1358 CD GLU A 87 -4.150 19.895 -7.613 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -3.605 19.936 -6.490 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -4.849 20.824 -8.070 1.00 0.00 O ATOM 0 H GLU A 87 -2.105 16.812 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.716 18.106 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.087 16.545 -8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.177 17.507 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.128 18.821 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.846 18.486 -9.066 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.087 14.858 -6.675 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.936 13.760 -5.728 1.00 0.00 C ATOM 1369 C TYR A 88 -0.600 13.849 -4.998 1.00 0.00 C ATOM 1370 O TYR A 88 -0.526 13.648 -3.785 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.046 12.417 -6.452 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.430 12.130 -6.989 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.550 12.242 -6.175 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.617 11.745 -8.311 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.816 11.981 -6.661 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.880 11.482 -8.806 1.00 0.00 C ATOM 1377 CZ TYR A 88 -5.976 11.601 -7.977 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.235 11.339 -8.467 1.00 0.00 O ATOM 0 H TYR A 88 -2.265 14.565 -7.636 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.736 13.836 -4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.334 12.399 -7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.759 11.620 -5.767 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.429 12.538 -5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.761 11.650 -8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.676 12.074 -6.014 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.008 11.185 -9.836 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.186 10.614 -9.125 1.00 0.00 H new ATOM 1388 N LEU A 89 0.456 14.153 -5.745 1.00 0.00 N ATOM 1389 CA LEU A 89 1.792 14.270 -5.171 1.00 0.00 C ATOM 1390 C LEU A 89 1.733 14.884 -3.776 1.00 0.00 C ATOM 1391 O LEU A 89 2.504 14.515 -2.890 1.00 0.00 O ATOM 1392 CB LEU A 89 2.685 15.120 -6.077 1.00 0.00 C ATOM 1393 CG LEU A 89 3.069 14.494 -7.418 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.572 15.560 -8.380 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.121 13.413 -7.220 1.00 0.00 C ATOM 0 H LEU A 89 0.413 14.323 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 89 2.215 13.269 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.177 16.064 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.600 15.356 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 89 2.181 14.034 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.841 15.096 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.788 16.299 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.448 16.050 -7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.382 12.978 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.010 13.850 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.725 12.635 -6.567 1.00 0.00 H new ATOM 1407 N LYS A 90 0.810 15.821 -3.586 1.00 0.00 N ATOM 1408 CA LYS A 90 0.647 16.484 -2.298 1.00 0.00 C ATOM 1409 C LYS A 90 -0.026 15.558 -1.290 1.00 0.00 C ATOM 1410 O LYS A 90 -0.925 14.786 -1.624 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.179 17.763 -2.461 1.00 0.00 C ATOM 1412 CG LYS A 90 0.655 18.986 -2.800 1.00 0.00 C ATOM 1413 CD LYS A 90 0.961 19.057 -4.287 1.00 0.00 C ATOM 1414 CE LYS A 90 2.253 18.330 -4.625 1.00 0.00 C ATOM 1415 NZ LYS A 90 3.439 19.223 -4.506 1.00 0.00 N ATOM 0 H LYS A 90 0.163 16.138 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 90 1.637 16.742 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.920 17.610 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.727 17.952 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.123 19.887 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.588 18.959 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.137 18.619 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.038 20.100 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.374 17.475 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.194 17.938 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.300 18.690 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.336 20.026 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.510 19.577 -3.531 1.00 0.00 H new ATOM 1429 N PRO A 91 0.418 15.634 -0.027 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.129 14.811 1.056 1.00 0.00 C ATOM 1431 C PRO A 91 -1.552 15.212 1.427 1.00 0.00 C ATOM 1432 O PRO A 91 -1.775 16.265 2.025 1.00 0.00 O ATOM 1433 CB PRO A 91 0.825 15.080 2.222 1.00 0.00 C ATOM 1434 CG PRO A 91 1.399 16.426 1.940 1.00 0.00 C ATOM 1435 CD PRO A 91 1.487 16.532 0.443 1.00 0.00 C ATOM 0 HA PRO A 91 -0.195 13.760 0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.298 15.067 3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.605 14.321 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.767 17.214 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.382 16.535 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.330 17.556 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.464 16.220 0.075 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.513 14.366 1.070 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.915 14.632 1.367 1.00 0.00 C ATOM 1445 C VAL A 92 -4.114 14.945 2.846 1.00 0.00 C ATOM 1446 O VAL A 92 -4.998 15.719 3.215 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.807 13.436 0.983 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.276 13.782 1.175 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.535 13.008 -0.451 1.00 0.00 C ATOM 0 H VAL A 92 -2.346 13.490 0.574 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.205 15.498 0.773 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.567 12.600 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.891 12.925 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.456 14.036 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.535 14.633 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.174 12.162 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.747 13.838 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.490 12.717 -0.552 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.285 14.340 3.689 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.368 14.555 5.130 1.00 0.00 C ATOM 1461 C LEU A 93 -2.085 15.185 5.661 1.00 0.00 C ATOM 1462 O LEU A 93 -1.190 15.535 4.893 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.635 13.231 5.848 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.448 12.197 5.069 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.529 11.289 4.266 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.316 11.379 6.013 1.00 0.00 C ATOM 0 H LEU A 93 -2.548 13.697 3.400 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.194 15.239 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.676 12.785 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.156 13.445 6.781 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.100 12.726 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.126 10.560 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.951 11.887 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.851 10.768 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.887 10.648 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.682 10.861 6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.001 12.041 6.543 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.002 15.324 6.981 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.827 15.910 7.615 1.00 0.00 C ATOM 1480 C GLU A 94 -0.054 14.859 8.406 1.00 0.00 C ATOM 1481 O GLU A 94 -0.645 14.021 9.087 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.238 17.059 8.538 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.179 18.141 8.671 1.00 0.00 C ATOM 1484 CD GLU A 94 -0.555 19.203 9.687 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.723 19.643 9.678 1.00 0.00 O ATOM 1486 OE2 GLU A 94 0.319 19.593 10.489 1.00 0.00 O ATOM 0 H GLU A 94 -2.734 15.039 7.631 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.178 16.298 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.157 17.506 8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.462 16.658 9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.767 17.684 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.021 18.611 7.700 1.00 0.00 H new ATOM 1493 N ASP A 95 1.270 14.911 8.310 1.00 0.00 N ATOM 1494 CA ASP A 95 2.125 13.964 9.017 1.00 0.00 C ATOM 1495 C ASP A 95 1.856 12.536 8.552 1.00 0.00 C ATOM 1496 O ASP A 95 1.675 11.631 9.367 1.00 0.00 O ATOM 1497 CB ASP A 95 1.904 14.072 10.527 1.00 0.00 C ATOM 1498 CG ASP A 95 2.856 13.195 11.316 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.017 13.040 10.883 1.00 0.00 O ATOM 1500 OD2 ASP A 95 2.440 12.665 12.367 1.00 0.00 O ATOM 0 H ASP A 95 1.774 15.598 7.750 1.00 0.00 H new ATOM 0 HA ASP A 95 3.162 14.211 8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.030 15.110 10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.877 13.792 10.762 1.00 0.00 H new ATOM 1505 N ASP A 96 1.830 12.343 7.238 1.00 0.00 N ATOM 1506 CA ASP A 96 1.582 11.025 6.664 1.00 0.00 C ATOM 1507 C ASP A 96 2.789 10.112 6.859 1.00 0.00 C ATOM 1508 O ASP A 96 3.889 10.412 6.392 1.00 0.00 O ATOM 1509 CB ASP A 96 1.254 11.147 5.175 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.238 11.212 4.915 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -1.000 11.421 5.882 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.644 11.053 3.744 1.00 0.00 O ATOM 0 H ASP A 96 1.977 13.082 6.550 1.00 0.00 H new ATOM 0 HA ASP A 96 0.729 10.585 7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.729 12.042 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.676 10.295 4.642 1.00 0.00 H new ATOM 1517 N LEU A 97 2.576 8.999 7.550 1.00 0.00 N ATOM 1518 CA LEU A 97 3.647 8.042 7.808 1.00 0.00 C ATOM 1519 C LEU A 97 3.838 7.106 6.619 1.00 0.00 C ATOM 1520 O LEU A 97 4.925 6.564 6.410 1.00 0.00 O ATOM 1521 CB LEU A 97 3.340 7.229 9.067 1.00 0.00 C ATOM 1522 CG LEU A 97 2.960 8.035 10.310 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.426 7.117 11.398 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.156 8.827 10.817 1.00 0.00 C ATOM 0 H LEU A 97 1.672 8.736 7.942 1.00 0.00 H new ATOM 0 HA LEU A 97 4.571 8.600 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.525 6.541 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.213 6.622 9.305 1.00 0.00 H new ATOM 0 HG LEU A 97 2.173 8.738 10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.161 7.708 12.275 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.542 6.594 11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.192 6.390 11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.868 9.395 11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.964 8.142 11.073 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.494 9.513 10.040 1.00 0.00 H new ATOM 1536 N LEU A 98 2.777 6.921 5.841 1.00 0.00 N ATOM 1537 CA LEU A 98 2.828 6.052 4.670 1.00 0.00 C ATOM 1538 C LEU A 98 3.706 6.658 3.580 1.00 0.00 C ATOM 1539 O LEU A 98 4.302 5.940 2.777 1.00 0.00 O ATOM 1540 CB LEU A 98 1.418 5.809 4.130 1.00 0.00 C ATOM 1541 CG LEU A 98 0.375 5.362 5.154 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.992 5.227 4.499 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.790 4.049 5.800 1.00 0.00 C ATOM 0 H LEU A 98 1.871 7.361 6.000 1.00 0.00 H new ATOM 0 HA LEU A 98 3.263 5.100 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.067 6.728 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.476 5.053 3.347 1.00 0.00 H new ATOM 0 HG LEU A 98 0.309 6.122 5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.722 4.908 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.293 6.189 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.941 4.487 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.036 3.746 6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.885 3.280 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.748 4.178 6.304 1.00 0.00 H new ATOM 1555 N LEU A 99 3.783 7.984 3.559 1.00 0.00 N ATOM 1556 CA LEU A 99 4.590 8.688 2.569 1.00 0.00 C ATOM 1557 C LEU A 99 6.075 8.576 2.898 1.00 0.00 C ATOM 1558 O LEU A 99 6.907 8.407 2.006 1.00 0.00 O ATOM 1559 CB LEU A 99 4.181 10.161 2.501 1.00 0.00 C ATOM 1560 CG LEU A 99 3.013 10.490 1.570 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.784 9.678 1.947 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.703 11.980 1.611 1.00 0.00 C ATOM 0 H LEU A 99 3.296 8.593 4.216 1.00 0.00 H new ATOM 0 HA LEU A 99 4.415 8.224 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.923 10.493 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.046 10.744 2.186 1.00 0.00 H new ATOM 0 HG LEU A 99 3.299 10.226 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.964 9.926 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.011 8.615 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.495 9.910 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.869 12.197 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.437 12.269 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.580 12.543 1.291 1.00 0.00 H new ATOM 1574 N GLN A 100 6.400 8.670 4.183 1.00 0.00 N ATOM 1575 CA GLN A 100 7.785 8.578 4.629 1.00 0.00 C ATOM 1576 C GLN A 100 8.255 7.127 4.651 1.00 0.00 C ATOM 1577 O GLN A 100 9.444 6.851 4.805 1.00 0.00 O ATOM 1578 CB GLN A 100 7.938 9.197 6.020 1.00 0.00 C ATOM 1579 CG GLN A 100 7.217 8.424 7.112 1.00 0.00 C ATOM 1580 CD GLN A 100 7.283 9.117 8.459 1.00 0.00 C ATOM 1581 OE1 GLN A 100 6.764 10.221 8.628 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.923 8.471 9.426 1.00 0.00 N ATOM 0 H GLN A 100 5.723 8.810 4.933 1.00 0.00 H new ATOM 0 HA GLN A 100 8.405 9.131 3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.998 9.256 6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.558 10.218 5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.173 8.289 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.655 7.430 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.338 7.558 9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.000 8.888 10.354 1.00 0.00 H new ATOM 1591 N PHE A 101 7.312 6.203 4.496 1.00 0.00 N ATOM 1592 CA PHE A 101 7.629 4.780 4.499 1.00 0.00 C ATOM 1593 C PHE A 101 8.654 4.448 3.418 1.00 0.00 C ATOM 1594 O PHE A 101 8.416 4.676 2.232 1.00 0.00 O ATOM 1595 CB PHE A 101 6.360 3.953 4.286 1.00 0.00 C ATOM 1596 CG PHE A 101 6.631 2.523 3.913 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.907 2.176 2.601 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.612 1.527 4.876 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.156 0.861 2.255 1.00 0.00 C ATOM 1600 CE2 PHE A 101 6.861 0.210 4.537 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.135 -0.123 3.225 1.00 0.00 C ATOM 0 H PHE A 101 6.323 6.415 4.367 1.00 0.00 H new ATOM 0 HA PHE A 101 8.058 4.531 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.764 3.975 5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.761 4.417 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.928 2.942 1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.400 1.783 5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.367 0.603 1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.841 -0.557 5.297 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.332 -1.151 2.958 1.00 0.00 H new ATOM 1611 N ASP A 102 9.794 3.910 3.838 1.00 0.00 N ATOM 1612 CA ASP A 102 10.855 3.546 2.907 1.00 0.00 C ATOM 1613 C ASP A 102 10.342 2.570 1.852 1.00 0.00 C ATOM 1614 O ASP A 102 10.319 1.359 2.070 1.00 0.00 O ATOM 1615 CB ASP A 102 12.034 2.928 3.660 1.00 0.00 C ATOM 1616 CG ASP A 102 12.458 3.761 4.854 1.00 0.00 C ATOM 1617 OD1 ASP A 102 11.635 3.939 5.776 1.00 0.00 O ATOM 1618 OD2 ASP A 102 13.614 4.236 4.866 1.00 0.00 O ATOM 0 H ASP A 102 10.007 3.717 4.817 1.00 0.00 H new ATOM 0 HA ASP A 102 11.190 4.453 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.762 1.927 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.878 2.817 2.980 1.00 0.00 H new ATOM 1623 N VAL A 103 9.931 3.107 0.707 1.00 0.00 N ATOM 1624 CA VAL A 103 9.418 2.284 -0.382 1.00 0.00 C ATOM 1625 C VAL A 103 10.555 1.641 -1.167 1.00 0.00 C ATOM 1626 O VAL A 103 10.341 0.699 -1.929 1.00 0.00 O ATOM 1627 CB VAL A 103 8.545 3.109 -1.346 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.379 4.173 -2.043 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.867 2.201 -2.361 1.00 0.00 C ATOM 0 H VAL A 103 9.943 4.108 0.510 1.00 0.00 H new ATOM 0 HA VAL A 103 8.807 1.504 0.072 1.00 0.00 H new ATOM 0 HB VAL A 103 7.769 3.611 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.746 4.746 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.812 4.841 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.178 3.695 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.254 2.801 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.625 1.669 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.236 1.481 -1.840 1.00 0.00 H new ATOM 1639 N GLU A 104 11.765 2.157 -0.975 1.00 0.00 N ATOM 1640 CA GLU A 104 12.937 1.632 -1.667 1.00 0.00 C ATOM 1641 C GLU A 104 13.195 0.180 -1.275 1.00 0.00 C ATOM 1642 O GLU A 104 13.607 -0.633 -2.102 1.00 0.00 O ATOM 1643 CB GLU A 104 14.168 2.484 -1.350 1.00 0.00 C ATOM 1644 CG GLU A 104 14.045 3.927 -1.812 1.00 0.00 C ATOM 1645 CD GLU A 104 15.067 4.837 -1.159 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.457 4.559 -0.006 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.475 5.828 -1.801 1.00 0.00 O ATOM 0 H GLU A 104 11.959 2.937 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 104 12.743 1.672 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.342 2.469 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.042 2.034 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.165 3.970 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.043 4.292 -1.588 1.00 0.00 H new ATOM 1654 N ASP A 105 12.952 -0.137 -0.008 1.00 0.00 N ATOM 1655 CA ASP A 105 13.157 -1.490 0.495 1.00 0.00 C ATOM 1656 C ASP A 105 12.534 -2.519 -0.444 1.00 0.00 C ATOM 1657 O ASP A 105 13.080 -3.605 -0.642 1.00 0.00 O ATOM 1658 CB ASP A 105 12.561 -1.632 1.896 1.00 0.00 C ATOM 1659 CG ASP A 105 11.093 -2.010 1.865 1.00 0.00 C ATOM 1660 OD1 ASP A 105 10.295 -1.237 1.294 1.00 0.00 O ATOM 1661 OD2 ASP A 105 10.742 -3.076 2.411 1.00 0.00 O ATOM 0 H ASP A 105 12.613 0.525 0.690 1.00 0.00 H new ATOM 0 HA ASP A 105 14.230 -1.674 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.117 -2.389 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.680 -0.692 2.435 1.00 0.00 H new ATOM 1666 N LEU A 106 11.388 -2.170 -1.018 1.00 0.00 N ATOM 1667 CA LEU A 106 10.689 -3.064 -1.935 1.00 0.00 C ATOM 1668 C LEU A 106 11.567 -3.408 -3.134 1.00 0.00 C ATOM 1669 O LEU A 106 11.530 -4.530 -3.642 1.00 0.00 O ATOM 1670 CB LEU A 106 9.385 -2.420 -2.411 1.00 0.00 C ATOM 1671 CG LEU A 106 8.346 -2.130 -1.328 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.972 -1.927 -1.948 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.310 -3.258 -0.307 1.00 0.00 C ATOM 0 H LEU A 106 10.923 -1.275 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 106 10.458 -3.986 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.628 -1.484 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.931 -3.073 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 106 8.631 -1.211 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.245 -1.722 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.006 -1.086 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.679 -2.828 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.565 -3.034 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.050 -4.192 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.290 -3.357 0.160 1.00 0.00 H new ATOM 1685 N TYR A 107 12.356 -2.438 -3.581 1.00 0.00 N ATOM 1686 CA TYR A 107 13.244 -2.639 -4.720 1.00 0.00 C ATOM 1687 C TYR A 107 14.565 -3.260 -4.279 1.00 0.00 C ATOM 1688 O TYR A 107 14.745 -3.597 -3.109 1.00 0.00 O ATOM 1689 CB TYR A 107 13.504 -1.309 -5.430 1.00 0.00 C ATOM 1690 CG TYR A 107 12.274 -0.439 -5.558 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.091 -0.947 -6.079 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.296 0.892 -5.158 1.00 0.00 C ATOM 1693 CE1 TYR A 107 9.965 -0.156 -6.197 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.174 1.690 -5.271 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.011 1.162 -5.792 1.00 0.00 C ATOM 1696 OH TYR A 107 8.892 1.954 -5.908 1.00 0.00 O ATOM 0 H TYR A 107 12.399 -1.504 -3.172 1.00 0.00 H new ATOM 0 HA TYR A 107 12.756 -3.324 -5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.272 -0.760 -4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.902 -1.510 -6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.051 -1.978 -6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.206 1.309 -4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.053 -0.567 -6.604 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.207 2.722 -4.953 1.00 0.00 H new ATOM 0 HH TYR A 107 8.626 2.009 -6.850 1.00 0.00 H new ATOM 1706 N GLU A 108 15.487 -3.408 -5.225 1.00 0.00 N ATOM 1707 CA GLU A 108 16.793 -3.989 -4.935 1.00 0.00 C ATOM 1708 C GLU A 108 17.893 -3.272 -5.712 1.00 0.00 C ATOM 1709 O GLU A 108 17.856 -3.171 -6.938 1.00 0.00 O ATOM 1710 CB GLU A 108 16.800 -5.480 -5.278 1.00 0.00 C ATOM 1711 CG GLU A 108 16.117 -6.348 -4.235 1.00 0.00 C ATOM 1712 CD GLU A 108 17.058 -6.777 -3.125 1.00 0.00 C ATOM 1713 OE1 GLU A 108 18.278 -6.852 -3.380 1.00 0.00 O ATOM 1714 OE2 GLU A 108 16.574 -7.037 -2.004 1.00 0.00 O ATOM 0 H GLU A 108 15.354 -3.134 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 108 16.987 -3.868 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 108 16.307 -5.625 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 108 17.831 -5.812 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.279 -5.800 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 108 15.704 -7.233 -4.719 1.00 0.00 H new ATOM 1721 N PRO A 109 18.895 -2.761 -4.982 1.00 0.00 N ATOM 1722 CA PRO A 109 20.025 -2.044 -5.581 1.00 0.00 C ATOM 1723 C PRO A 109 20.943 -2.968 -6.374 1.00 0.00 C ATOM 1724 O PRO A 109 21.942 -3.464 -5.853 1.00 0.00 O ATOM 1725 CB PRO A 109 20.763 -1.469 -4.369 1.00 0.00 C ATOM 1726 CG PRO A 109 20.406 -2.376 -3.243 1.00 0.00 C ATOM 1727 CD PRO A 109 19.004 -2.844 -3.516 1.00 0.00 C ATOM 0 HA PRO A 109 19.696 -1.289 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.840 -1.448 -4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.452 -0.444 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 109 21.095 -3.219 -3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.464 -1.854 -2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 109 18.843 -3.861 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 109 18.266 -2.212 -3.022 1.00 0.00 H new ATOM 1735 N VAL A 110 20.598 -3.194 -7.638 1.00 0.00 N ATOM 1736 CA VAL A 110 21.392 -4.058 -8.504 1.00 0.00 C ATOM 1737 C VAL A 110 21.280 -3.626 -9.962 1.00 0.00 C ATOM 1738 O VAL A 110 20.199 -3.274 -10.434 1.00 0.00 O ATOM 1739 CB VAL A 110 20.957 -5.530 -8.380 1.00 0.00 C ATOM 1740 CG1 VAL A 110 19.581 -5.734 -8.995 1.00 0.00 C ATOM 1741 CG2 VAL A 110 21.983 -6.445 -9.033 1.00 0.00 C ATOM 0 H VAL A 110 19.774 -2.791 -8.085 1.00 0.00 H new ATOM 0 HA VAL A 110 22.428 -3.966 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 110 20.897 -5.785 -7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 110 19.291 -6.780 -8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 110 18.855 -5.106 -8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 110 19.610 -5.462 -10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 110 21.660 -7.482 -8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 110 22.077 -6.191 -10.089 1.00 0.00 H new ATOM 0 HG23 VAL A 110 22.948 -6.318 -8.542 1.00 0.00 H new ATOM 1751 N SER A 111 22.404 -3.658 -10.671 1.00 0.00 N ATOM 1752 CA SER A 111 22.433 -3.267 -12.076 1.00 0.00 C ATOM 1753 C SER A 111 22.121 -1.782 -12.233 1.00 0.00 C ATOM 1754 O SER A 111 21.373 -1.383 -13.126 1.00 0.00 O ATOM 1755 CB SER A 111 21.430 -4.099 -12.879 1.00 0.00 C ATOM 1756 OG SER A 111 21.572 -3.864 -14.269 1.00 0.00 O ATOM 0 H SER A 111 23.306 -3.951 -10.296 1.00 0.00 H new ATOM 0 HA SER A 111 23.437 -3.452 -12.459 1.00 0.00 H new ATOM 0 HB2 SER A 111 21.580 -5.158 -12.669 1.00 0.00 H new ATOM 0 HB3 SER A 111 20.415 -3.852 -12.567 1.00 0.00 H new ATOM 0 HG SER A 111 21.495 -2.904 -14.448 1.00 0.00 H new ATOM 1762 N THR A 112 22.700 -0.966 -11.357 1.00 0.00 N ATOM 1763 CA THR A 112 22.484 0.474 -11.397 1.00 0.00 C ATOM 1764 C THR A 112 22.528 0.998 -12.828 1.00 0.00 C ATOM 1765 O THR A 112 23.586 1.089 -13.449 1.00 0.00 O ATOM 1766 CB THR A 112 23.535 1.223 -10.556 1.00 0.00 C ATOM 1767 OG1 THR A 112 24.851 0.786 -10.915 1.00 0.00 O ATOM 1768 CG2 THR A 112 23.306 0.991 -9.070 1.00 0.00 C ATOM 0 H THR A 112 23.322 -1.279 -10.612 1.00 0.00 H new ATOM 0 HA THR A 112 21.495 0.657 -10.977 1.00 0.00 H new ATOM 0 HB THR A 112 23.438 2.289 -10.760 1.00 0.00 H new ATOM 0 HG1 THR A 112 24.920 0.722 -11.891 1.00 0.00 H new ATOM 0 HG21 THR A 112 24.061 1.530 -8.497 1.00 0.00 H new ATOM 0 HG22 THR A 112 22.315 1.351 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 112 23.378 -0.075 -8.853 1.00 0.00 H new ATOM 1776 N PRO A 113 21.351 1.352 -13.365 1.00 0.00 N ATOM 1777 CA PRO A 113 21.229 1.874 -14.729 1.00 0.00 C ATOM 1778 C PRO A 113 21.825 3.271 -14.871 1.00 0.00 C ATOM 1779 O PRO A 113 22.445 3.592 -15.885 1.00 0.00 O ATOM 1780 CB PRO A 113 19.716 1.913 -14.960 1.00 0.00 C ATOM 1781 CG PRO A 113 19.127 2.029 -13.597 1.00 0.00 C ATOM 1782 CD PRO A 113 20.049 1.271 -12.682 1.00 0.00 C ATOM 0 HA PRO A 113 21.769 1.260 -15.450 1.00 0.00 H new ATOM 0 HB2 PRO A 113 19.433 2.759 -15.587 1.00 0.00 H new ATOM 0 HB3 PRO A 113 19.369 1.012 -15.466 1.00 0.00 H new ATOM 0 HG2 PRO A 113 19.048 3.073 -13.294 1.00 0.00 H new ATOM 0 HG3 PRO A 113 18.120 1.612 -13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 113 20.088 1.719 -11.689 1.00 0.00 H new ATOM 0 HD3 PRO A 113 19.727 0.238 -12.553 1.00 0.00 H new ATOM 1790 N PHE A 114 21.634 4.097 -13.848 1.00 0.00 N ATOM 1791 CA PHE A 114 22.152 5.460 -13.859 1.00 0.00 C ATOM 1792 C PHE A 114 22.143 6.034 -15.273 1.00 0.00 C ATOM 1793 O PHE A 114 23.129 6.617 -15.725 1.00 0.00 O ATOM 1794 CB PHE A 114 23.573 5.492 -13.293 1.00 0.00 C ATOM 1795 CG PHE A 114 23.623 5.726 -11.810 1.00 0.00 C ATOM 1796 CD1 PHE A 114 22.847 4.966 -10.950 1.00 0.00 C ATOM 1797 CD2 PHE A 114 24.445 6.705 -11.277 1.00 0.00 C ATOM 1798 CE1 PHE A 114 22.890 5.178 -9.585 1.00 0.00 C ATOM 1799 CE2 PHE A 114 24.492 6.922 -9.913 1.00 0.00 C ATOM 1800 CZ PHE A 114 23.713 6.158 -9.066 1.00 0.00 C ATOM 0 H PHE A 114 21.124 3.846 -13.001 1.00 0.00 H new ATOM 0 HA PHE A 114 21.504 6.073 -13.233 1.00 0.00 H new ATOM 0 HB2 PHE A 114 24.067 4.548 -13.521 1.00 0.00 H new ATOM 0 HB3 PHE A 114 24.138 6.277 -13.796 1.00 0.00 H new ATOM 0 HD1 PHE A 114 22.201 4.199 -11.351 1.00 0.00 H new ATOM 0 HD2 PHE A 114 25.056 7.305 -11.935 1.00 0.00 H new ATOM 0 HE1 PHE A 114 22.281 4.578 -8.925 1.00 0.00 H new ATOM 0 HE2 PHE A 114 25.137 7.688 -9.510 1.00 0.00 H new ATOM 0 HZ PHE A 114 23.747 6.327 -8.000 1.00 0.00 H new ATOM 1810 N SER A 115 21.022 5.864 -15.967 1.00 0.00 N ATOM 1811 CA SER A 115 20.885 6.361 -17.331 1.00 0.00 C ATOM 1812 C SER A 115 19.738 7.361 -17.433 1.00 0.00 C ATOM 1813 O SER A 115 18.620 7.087 -16.995 1.00 0.00 O ATOM 1814 CB SER A 115 20.650 5.199 -18.299 1.00 0.00 C ATOM 1815 OG SER A 115 20.321 5.671 -19.593 1.00 0.00 O ATOM 0 H SER A 115 20.196 5.386 -15.607 1.00 0.00 H new ATOM 0 HA SER A 115 21.811 6.868 -17.600 1.00 0.00 H new ATOM 0 HB2 SER A 115 21.545 4.579 -18.352 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.845 4.566 -17.924 1.00 0.00 H new ATOM 0 HG SER A 115 20.178 4.909 -20.192 1.00 0.00 H new ATOM 1821 N SER A 116 20.023 8.523 -18.012 1.00 0.00 N ATOM 1822 CA SER A 116 19.018 9.567 -18.168 1.00 0.00 C ATOM 1823 C SER A 116 19.465 10.604 -19.194 1.00 0.00 C ATOM 1824 O SER A 116 20.470 11.288 -19.004 1.00 0.00 O ATOM 1825 CB SER A 116 18.745 10.247 -16.825 1.00 0.00 C ATOM 1826 OG SER A 116 19.898 10.920 -16.351 1.00 0.00 O ATOM 0 H SER A 116 20.943 8.765 -18.381 1.00 0.00 H new ATOM 0 HA SER A 116 18.099 9.101 -18.525 1.00 0.00 H new ATOM 0 HB2 SER A 116 17.925 10.956 -16.933 1.00 0.00 H new ATOM 0 HB3 SER A 116 18.428 9.503 -16.094 1.00 0.00 H new ATOM 0 HG SER A 116 20.490 11.126 -17.105 1.00 0.00 H new ATOM 1832 N GLY A 117 18.711 10.713 -20.283 1.00 0.00 N ATOM 1833 CA GLY A 117 19.045 11.668 -21.324 1.00 0.00 C ATOM 1834 C GLY A 117 18.070 11.627 -22.484 1.00 0.00 C ATOM 1835 O GLY A 117 18.433 11.312 -23.617 1.00 0.00 O ATOM 0 H GLY A 117 17.875 10.157 -20.463 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.059 12.672 -20.900 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.051 11.463 -21.691 1.00 0.00 H new ATOM 1839 N PRO A 118 16.798 11.949 -22.204 1.00 0.00 N ATOM 1840 CA PRO A 118 15.741 11.954 -23.220 1.00 0.00 C ATOM 1841 C PRO A 118 15.910 13.086 -24.227 1.00 0.00 C ATOM 1842 O PRO A 118 15.648 14.249 -23.918 1.00 0.00 O ATOM 1843 CB PRO A 118 14.463 12.152 -22.401 1.00 0.00 C ATOM 1844 CG PRO A 118 14.911 12.849 -21.163 1.00 0.00 C ATOM 1845 CD PRO A 118 16.294 12.335 -20.875 1.00 0.00 C ATOM 0 HA PRO A 118 15.744 11.042 -23.816 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.731 12.747 -22.947 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.990 11.198 -22.169 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.918 13.930 -21.305 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.237 12.641 -20.332 1.00 0.00 H new ATOM 0 HD2 PRO A 118 16.919 13.100 -20.415 1.00 0.00 H new ATOM 0 HD3 PRO A 118 16.273 11.486 -20.191 1.00 0.00 H new ATOM 1853 N SER A 119 16.348 12.739 -25.433 1.00 0.00 N ATOM 1854 CA SER A 119 16.555 13.728 -26.485 1.00 0.00 C ATOM 1855 C SER A 119 15.294 13.896 -27.327 1.00 0.00 C ATOM 1856 O SER A 119 15.166 13.303 -28.398 1.00 0.00 O ATOM 1857 CB SER A 119 17.727 13.316 -27.378 1.00 0.00 C ATOM 1858 OG SER A 119 18.181 14.407 -28.160 1.00 0.00 O ATOM 0 H SER A 119 16.566 11.781 -25.706 1.00 0.00 H new ATOM 0 HA SER A 119 16.786 14.683 -26.012 1.00 0.00 H new ATOM 0 HB2 SER A 119 18.544 12.942 -26.761 1.00 0.00 H new ATOM 0 HB3 SER A 119 17.421 12.499 -28.031 1.00 0.00 H new ATOM 0 HG SER A 119 18.931 14.118 -28.721 1.00 0.00 H new ATOM 1864 N SER A 120 14.366 14.710 -26.835 1.00 0.00 N ATOM 1865 CA SER A 120 13.113 14.955 -27.539 1.00 0.00 C ATOM 1866 C SER A 120 12.894 16.449 -27.755 1.00 0.00 C ATOM 1867 O SER A 120 12.676 17.199 -26.805 1.00 0.00 O ATOM 1868 CB SER A 120 11.939 14.363 -26.756 1.00 0.00 C ATOM 1869 OG SER A 120 11.719 15.077 -25.552 1.00 0.00 O ATOM 0 H SER A 120 14.458 15.211 -25.951 1.00 0.00 H new ATOM 0 HA SER A 120 13.172 14.470 -28.513 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.038 14.390 -27.369 1.00 0.00 H new ATOM 0 HB3 SER A 120 12.139 13.316 -26.530 1.00 0.00 H new ATOM 0 HG SER A 120 11.921 16.026 -25.693 1.00 0.00 H new ATOM 1875 N GLY A 121 12.954 16.875 -29.013 1.00 0.00 N ATOM 1876 CA GLY A 121 12.760 18.277 -29.332 1.00 0.00 C ATOM 1877 C GLY A 121 13.094 18.594 -30.776 1.00 0.00 C ATOM 1878 O GLY A 121 14.274 18.664 -31.117 1.00 0.00 O ATOM 0 H GLY A 121 13.134 16.274 -29.817 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.724 18.552 -29.133 1.00 0.00 H new ATOM 0 HA3 GLY A 121 13.383 18.885 -28.676 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.657 -0.426 6.719 1.00 0.00 ZN