USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=32 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+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-5.2!) USER MOD Set 2.1: A 46 MET CE :methyl -136:sc= -1.08 (180deg=-0.0481) USER MOD Set 2.2: A 74 MET CE :methyl -136:sc= -1.39 (180deg=-3.2!) USER MOD Set 3.1: A 36 LYS NZ :NH3+ -142:sc= -3.57! (180deg=-5.08!) USER MOD Set 3.2: A 42 ASN : amide:sc= -0.464 K(o=-4,f=-9.9!) 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 3 SER OG : rot 21:sc= 0.141 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.47) USER MOD Single : A 15 HIS : no HE2:sc= -9.26! C(o=-9.3!,f=-11!) USER MOD Single : A 16 THR OG1 : rot 130:sc= -0.0382 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -71:sc= 0.718 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -70:sc= 0.275 USER MOD Single : A 40 GLN : amide:sc=-0.00783 X(o=-0.0078,f=0) USER MOD Single : A 45 SER OG : rot -73:sc= 0.0663 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -152:sc= 0.975 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.97! C(o=-3!,f=-7.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 120:sc= -0.639 USER MOD Single : A 75 ASN : amide:sc= -0.0588 K(o=-0.059,f=-0.78) 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 79 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3.1!) USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= -0.0732 (180deg=-0.32) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.027 (180deg=-0.196) USER MOD Single : A 100 GLN : amide:sc= -3.44! C(o=-3.4!,f=-13!) USER MOD Single : A 107 TYR OH : rot -19:sc= 1.04 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 45:sc= 0.274 USER MOD Single : A 115 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 18:sc= 0.19 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.094 27.086 42.891 1.00 0.00 N ATOM 2 CA GLY A 1 -26.235 27.203 41.727 1.00 0.00 C ATOM 3 C GLY A 1 -25.104 26.193 41.737 1.00 0.00 C ATOM 4 O GLY A 1 -24.048 26.440 42.318 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.851 27.797 42.837 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.514 26.135 42.918 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.534 27.242 43.753 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.831 27.068 40.824 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.819 28.210 41.686 1.00 0.00 H new ATOM 8 N SER A 2 -25.326 25.051 41.094 1.00 0.00 N ATOM 9 CA SER A 2 -24.319 23.998 41.036 1.00 0.00 C ATOM 10 C SER A 2 -23.541 24.062 39.725 1.00 0.00 C ATOM 11 O SER A 2 -23.971 24.701 38.765 1.00 0.00 O ATOM 12 CB SER A 2 -24.978 22.625 41.185 1.00 0.00 C ATOM 13 OG SER A 2 -25.145 22.285 42.550 1.00 0.00 O ATOM 0 H SER A 2 -26.194 24.831 40.606 1.00 0.00 H new ATOM 0 HA SER A 2 -23.622 24.150 41.860 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.947 22.627 40.686 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.367 21.869 40.691 1.00 0.00 H new ATOM 0 HG SER A 2 -25.570 21.404 42.618 1.00 0.00 H new ATOM 19 N SER A 3 -22.392 23.395 39.694 1.00 0.00 N ATOM 20 CA SER A 3 -21.550 23.378 38.503 1.00 0.00 C ATOM 21 C SER A 3 -20.811 22.050 38.379 1.00 0.00 C ATOM 22 O SER A 3 -20.337 21.495 39.370 1.00 0.00 O ATOM 23 CB SER A 3 -20.545 24.532 38.547 1.00 0.00 C ATOM 24 OG SER A 3 -21.128 25.733 38.072 1.00 0.00 O ATOM 0 H SER A 3 -22.023 22.859 40.479 1.00 0.00 H new ATOM 0 HA SER A 3 -22.193 23.498 37.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.194 24.674 39.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.673 24.283 37.942 1.00 0.00 H new ATOM 0 HG SER A 3 -22.104 25.668 38.129 1.00 0.00 H new ATOM 30 N GLY A 4 -20.716 21.544 37.153 1.00 0.00 N ATOM 31 CA GLY A 4 -20.034 20.285 36.920 1.00 0.00 C ATOM 32 C GLY A 4 -20.032 19.888 35.457 1.00 0.00 C ATOM 33 O GLY A 4 -20.591 18.856 35.086 1.00 0.00 O ATOM 0 H GLY A 4 -21.100 21.984 36.317 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.006 20.362 37.274 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.515 19.501 37.505 1.00 0.00 H new ATOM 37 N SER A 5 -19.403 20.711 34.623 1.00 0.00 N ATOM 38 CA SER A 5 -19.336 20.443 33.192 1.00 0.00 C ATOM 39 C SER A 5 -18.068 19.670 32.843 1.00 0.00 C ATOM 40 O SER A 5 -16.992 20.251 32.698 1.00 0.00 O ATOM 41 CB SER A 5 -19.380 21.754 32.404 1.00 0.00 C ATOM 42 OG SER A 5 -20.677 22.323 32.433 1.00 0.00 O ATOM 0 H SER A 5 -18.933 21.568 34.914 1.00 0.00 H new ATOM 0 HA SER A 5 -20.198 19.834 32.920 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.661 22.458 32.823 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.083 21.571 31.371 1.00 0.00 H new ATOM 0 HG SER A 5 -20.678 23.160 31.924 1.00 0.00 H new ATOM 48 N SER A 6 -18.202 18.354 32.709 1.00 0.00 N ATOM 49 CA SER A 6 -17.068 17.499 32.381 1.00 0.00 C ATOM 50 C SER A 6 -16.552 17.795 30.976 1.00 0.00 C ATOM 51 O SER A 6 -17.332 17.979 30.042 1.00 0.00 O ATOM 52 CB SER A 6 -17.464 16.026 32.491 1.00 0.00 C ATOM 53 OG SER A 6 -16.473 15.187 31.922 1.00 0.00 O ATOM 0 H SER A 6 -19.085 17.857 32.823 1.00 0.00 H new ATOM 0 HA SER A 6 -16.270 17.708 33.094 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.610 15.763 33.539 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.416 15.864 31.986 1.00 0.00 H new ATOM 0 HG SER A 6 -16.749 14.251 32.007 1.00 0.00 H new ATOM 59 N GLY A 7 -15.231 17.841 30.834 1.00 0.00 N ATOM 60 CA GLY A 7 -14.633 18.116 29.541 1.00 0.00 C ATOM 61 C GLY A 7 -13.118 18.091 29.586 1.00 0.00 C ATOM 62 O GLY A 7 -12.499 18.878 30.301 1.00 0.00 O ATOM 0 H GLY A 7 -14.564 17.693 31.592 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.984 17.380 28.818 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.967 19.092 29.190 1.00 0.00 H new ATOM 66 N GLU A 8 -12.519 17.183 28.821 1.00 0.00 N ATOM 67 CA GLU A 8 -11.067 17.058 28.779 1.00 0.00 C ATOM 68 C GLU A 8 -10.571 16.959 27.340 1.00 0.00 C ATOM 69 O GLU A 8 -11.238 16.410 26.462 1.00 0.00 O ATOM 70 CB GLU A 8 -10.616 15.829 29.571 1.00 0.00 C ATOM 71 CG GLU A 8 -10.641 16.032 31.077 1.00 0.00 C ATOM 72 CD GLU A 8 -10.594 14.725 31.843 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.208 13.742 31.378 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.944 14.685 32.908 1.00 0.00 O ATOM 0 H GLU A 8 -13.017 16.524 28.223 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.638 17.951 29.232 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.259 14.987 29.316 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.604 15.562 29.266 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.793 16.651 31.370 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.544 16.577 31.351 1.00 0.00 H new ATOM 81 N PRO A 9 -9.371 17.503 27.089 1.00 0.00 N ATOM 82 CA PRO A 9 -8.757 17.489 25.758 1.00 0.00 C ATOM 83 C PRO A 9 -8.321 16.091 25.335 1.00 0.00 C ATOM 84 O PRO A 9 -8.533 15.119 26.059 1.00 0.00 O ATOM 85 CB PRO A 9 -7.540 18.404 25.918 1.00 0.00 C ATOM 86 CG PRO A 9 -7.209 18.342 27.370 1.00 0.00 C ATOM 87 CD PRO A 9 -8.520 18.173 28.087 1.00 0.00 C ATOM 0 HA PRO A 9 -9.453 17.815 24.985 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.705 18.063 25.306 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.767 19.424 25.607 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.538 17.509 27.582 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.702 19.251 27.694 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.410 17.572 28.990 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.938 19.132 28.392 1.00 0.00 H new ATOM 95 N ALA A 10 -7.709 15.997 24.159 1.00 0.00 N ATOM 96 CA ALA A 10 -7.240 14.717 23.641 1.00 0.00 C ATOM 97 C ALA A 10 -5.822 14.833 23.094 1.00 0.00 C ATOM 98 O ALA A 10 -5.490 15.794 22.399 1.00 0.00 O ATOM 99 CB ALA A 10 -8.184 14.207 22.563 1.00 0.00 C ATOM 0 H ALA A 10 -7.526 16.792 23.547 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.226 14.002 24.464 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.822 13.251 22.185 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.181 14.077 22.984 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.227 14.927 21.746 1.00 0.00 H new ATOM 105 N HIS A 11 -4.987 13.849 23.413 1.00 0.00 N ATOM 106 CA HIS A 11 -3.603 13.841 22.953 1.00 0.00 C ATOM 107 C HIS A 11 -3.454 12.993 21.693 1.00 0.00 C ATOM 108 O HIS A 11 -4.170 12.009 21.507 1.00 0.00 O ATOM 109 CB HIS A 11 -2.682 13.310 24.051 1.00 0.00 C ATOM 110 CG HIS A 11 -2.818 14.039 25.352 1.00 0.00 C ATOM 111 ND1 HIS A 11 -2.459 13.489 26.565 1.00 0.00 N ATOM 112 CD2 HIS A 11 -3.275 15.284 25.625 1.00 0.00 C ATOM 113 CE1 HIS A 11 -2.692 14.363 27.528 1.00 0.00 C ATOM 114 NE2 HIS A 11 -3.186 15.461 26.984 1.00 0.00 N ATOM 0 H HIS A 11 -5.245 13.047 23.988 1.00 0.00 H new ATOM 0 HA HIS A 11 -3.319 14.866 22.715 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.895 12.253 24.212 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.648 13.379 23.712 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.641 16.004 24.908 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.510 14.207 28.581 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.457 16.303 27.491 1.00 0.00 H new ATOM 122 N GLY A 12 -2.520 13.381 20.831 1.00 0.00 N ATOM 123 CA GLY A 12 -2.295 12.646 19.600 1.00 0.00 C ATOM 124 C GLY A 12 -0.826 12.368 19.351 1.00 0.00 C ATOM 125 O GLY A 12 0.007 13.271 19.436 1.00 0.00 O ATOM 0 H GLY A 12 -1.915 14.191 20.963 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.839 11.702 19.640 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.701 13.213 18.762 1.00 0.00 H new ATOM 129 N ARG A 13 -0.506 11.115 19.044 1.00 0.00 N ATOM 130 CA ARG A 13 0.873 10.720 18.785 1.00 0.00 C ATOM 131 C ARG A 13 1.011 10.106 17.395 1.00 0.00 C ATOM 132 O ARG A 13 0.014 9.804 16.738 1.00 0.00 O ATOM 133 CB ARG A 13 1.348 9.723 19.844 1.00 0.00 C ATOM 134 CG ARG A 13 0.505 8.460 19.913 1.00 0.00 C ATOM 135 CD ARG A 13 -0.645 8.611 20.897 1.00 0.00 C ATOM 136 NE ARG A 13 -1.246 7.324 21.237 1.00 0.00 N ATOM 137 CZ ARG A 13 -0.769 6.516 22.177 1.00 0.00 C ATOM 138 NH1 ARG A 13 0.309 6.859 22.867 1.00 0.00 N ATOM 139 NH2 ARG A 13 -1.373 5.361 22.429 1.00 0.00 N ATOM 0 H ARG A 13 -1.183 10.356 18.969 1.00 0.00 H new ATOM 0 HA ARG A 13 1.495 11.614 18.832 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.382 9.449 19.635 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.339 10.210 20.819 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.111 8.230 18.923 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.131 7.619 20.210 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.284 9.094 21.805 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.405 9.264 20.469 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.077 7.030 20.725 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.775 7.746 22.677 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.673 6.236 23.588 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.204 5.094 21.901 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.006 4.741 23.151 1.00 0.00 H new ATOM 153 N GLN A 14 2.251 9.925 16.953 1.00 0.00 N ATOM 154 CA GLN A 14 2.518 9.349 15.641 1.00 0.00 C ATOM 155 C GLN A 14 1.468 8.303 15.282 1.00 0.00 C ATOM 156 O GLN A 14 1.275 7.327 16.008 1.00 0.00 O ATOM 157 CB GLN A 14 3.913 8.720 15.611 1.00 0.00 C ATOM 158 CG GLN A 14 4.452 8.504 14.206 1.00 0.00 C ATOM 159 CD GLN A 14 5.887 8.014 14.202 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.322 7.321 15.122 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.631 8.372 13.162 1.00 0.00 N ATOM 0 H GLN A 14 3.087 10.169 17.484 1.00 0.00 H new ATOM 0 HA GLN A 14 2.473 10.151 14.904 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.603 9.359 16.162 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.882 7.762 16.131 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.823 7.781 13.687 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.389 9.439 13.649 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.229 8.947 12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.604 8.072 13.103 1.00 0.00 H new ATOM 170 N HIS A 15 0.791 8.513 14.157 1.00 0.00 N ATOM 171 CA HIS A 15 -0.240 7.588 13.701 1.00 0.00 C ATOM 172 C HIS A 15 -0.689 7.930 12.284 1.00 0.00 C ATOM 173 O HIS A 15 -0.709 9.098 11.892 1.00 0.00 O ATOM 174 CB HIS A 15 -1.438 7.619 14.650 1.00 0.00 C ATOM 175 CG HIS A 15 -1.257 6.772 15.872 1.00 0.00 C ATOM 176 ND1 HIS A 15 -1.010 7.299 17.123 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.288 5.428 16.031 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.896 6.315 17.997 1.00 0.00 C ATOM 179 NE2 HIS A 15 -1.062 5.170 17.361 1.00 0.00 N ATOM 0 H HIS A 15 0.938 9.316 13.545 1.00 0.00 H new ATOM 0 HA HIS A 15 0.184 6.584 13.696 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.622 8.649 14.956 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.325 7.283 14.113 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -0.928 8.292 17.339 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.459 4.695 15.256 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.700 6.428 19.053 1.00 0.00 H new ATOM 187 N THR A 16 -1.050 6.905 11.518 1.00 0.00 N ATOM 188 CA THR A 16 -1.497 7.097 10.144 1.00 0.00 C ATOM 189 C THR A 16 -2.782 6.325 9.871 1.00 0.00 C ATOM 190 O THR A 16 -2.867 5.116 10.092 1.00 0.00 O ATOM 191 CB THR A 16 -0.420 6.653 9.136 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.933 6.740 7.802 1.00 0.00 O ATOM 193 CG2 THR A 16 0.032 5.229 9.420 1.00 0.00 C ATOM 0 H THR A 16 -1.041 5.933 11.826 1.00 0.00 H new ATOM 0 HA THR A 16 -1.684 8.163 10.018 1.00 0.00 H new ATOM 0 HB THR A 16 0.439 7.317 9.238 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.300 7.233 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.793 4.937 8.696 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.448 5.173 10.426 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.821 4.554 9.342 1.00 0.00 H new ATOM 201 N PRO A 17 -3.808 7.035 9.380 1.00 0.00 N ATOM 202 CA PRO A 17 -5.108 6.436 9.065 1.00 0.00 C ATOM 203 C PRO A 17 -5.041 5.510 7.855 1.00 0.00 C ATOM 204 O PRO A 17 -4.129 5.609 7.034 1.00 0.00 O ATOM 205 CB PRO A 17 -5.994 7.647 8.763 1.00 0.00 C ATOM 206 CG PRO A 17 -5.046 8.708 8.319 1.00 0.00 C ATOM 207 CD PRO A 17 -3.777 8.479 9.092 1.00 0.00 C ATOM 0 HA PRO A 17 -5.478 5.813 9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.725 7.419 7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.553 7.959 9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.866 8.646 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.450 9.701 8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.897 8.754 8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.752 9.071 10.007 1.00 0.00 H new ATOM 215 N CYS A 18 -6.013 4.610 7.749 1.00 0.00 N ATOM 216 CA CYS A 18 -6.066 3.667 6.640 1.00 0.00 C ATOM 217 C CYS A 18 -6.521 4.359 5.358 1.00 0.00 C ATOM 218 O CYS A 18 -7.052 5.469 5.394 1.00 0.00 O ATOM 219 CB CYS A 18 -7.010 2.510 6.971 1.00 0.00 C ATOM 220 SG CYS A 18 -6.895 1.103 5.819 1.00 0.00 S ATOM 0 H CYS A 18 -6.776 4.515 8.420 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.062 3.274 6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.796 2.158 7.980 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.035 2.881 6.974 1.00 0.00 H new ATOM 225 N LEU A 19 -6.310 3.695 4.227 1.00 0.00 N ATOM 226 CA LEU A 19 -6.699 4.245 2.933 1.00 0.00 C ATOM 227 C LEU A 19 -8.154 3.915 2.616 1.00 0.00 C ATOM 228 O LEU A 19 -8.902 4.763 2.130 1.00 0.00 O ATOM 229 CB LEU A 19 -5.789 3.701 1.831 1.00 0.00 C ATOM 230 CG LEU A 19 -4.298 3.635 2.163 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.836 4.936 2.803 1.00 0.00 C ATOM 232 CD2 LEU A 19 -4.006 2.455 3.079 1.00 0.00 C ATOM 0 H LEU A 19 -5.872 2.775 4.180 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.594 5.329 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.127 2.698 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.916 4.321 0.944 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.745 3.493 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.772 4.871 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.009 5.762 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.396 5.108 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.940 2.424 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.570 2.565 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.299 1.529 2.584 1.00 0.00 H new ATOM 244 N PHE A 20 -8.549 2.677 2.896 1.00 0.00 N ATOM 245 CA PHE A 20 -9.915 2.235 2.642 1.00 0.00 C ATOM 246 C PHE A 20 -10.839 2.637 3.788 1.00 0.00 C ATOM 247 O PHE A 20 -11.983 3.035 3.567 1.00 0.00 O ATOM 248 CB PHE A 20 -9.955 0.717 2.450 1.00 0.00 C ATOM 249 CG PHE A 20 -9.021 0.224 1.382 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.438 0.136 0.064 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.724 -0.151 1.696 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.581 -0.318 -0.920 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.862 -0.606 0.716 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.291 -0.688 -0.594 1.00 0.00 C ATOM 0 H PHE A 20 -7.942 1.963 3.299 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.263 2.720 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.704 0.233 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.972 0.417 2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.445 0.426 -0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.383 -0.087 2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.920 -0.384 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.855 -0.897 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.619 -1.041 -1.362 1.00 0.00 H new ATOM 264 N CYS A 21 -10.335 2.531 5.013 1.00 0.00 N ATOM 265 CA CYS A 21 -11.113 2.882 6.194 1.00 0.00 C ATOM 266 C CYS A 21 -10.454 4.027 6.959 1.00 0.00 C ATOM 267 O CYS A 21 -9.412 4.541 6.551 1.00 0.00 O ATOM 268 CB CYS A 21 -11.267 1.666 7.109 1.00 0.00 C ATOM 269 SG CYS A 21 -9.725 1.154 7.933 1.00 0.00 S ATOM 0 H CYS A 21 -9.390 2.204 5.213 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.100 3.208 5.865 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.015 1.889 7.869 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.648 0.830 6.523 1.00 0.00 H new ATOM 274 N ASP A 22 -11.070 4.421 8.068 1.00 0.00 N ATOM 275 CA ASP A 22 -10.544 5.504 8.891 1.00 0.00 C ATOM 276 C ASP A 22 -9.889 4.957 10.155 1.00 0.00 C ATOM 277 O ASP A 22 -10.139 5.446 11.257 1.00 0.00 O ATOM 278 CB ASP A 22 -11.661 6.481 9.261 1.00 0.00 C ATOM 279 CG ASP A 22 -12.538 6.833 8.076 1.00 0.00 C ATOM 280 OD1 ASP A 22 -13.506 6.090 7.812 1.00 0.00 O ATOM 281 OD2 ASP A 22 -12.258 7.854 7.414 1.00 0.00 O ATOM 0 H ASP A 22 -11.934 4.007 8.418 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.787 6.033 8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.276 6.044 10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.223 7.392 9.668 1.00 0.00 H new ATOM 286 N ARG A 23 -9.051 3.939 9.989 1.00 0.00 N ATOM 287 CA ARG A 23 -8.362 3.324 11.117 1.00 0.00 C ATOM 288 C ARG A 23 -6.920 3.816 11.207 1.00 0.00 C ATOM 289 O ARG A 23 -6.177 3.777 10.226 1.00 0.00 O ATOM 290 CB ARG A 23 -8.385 1.800 10.987 1.00 0.00 C ATOM 291 CG ARG A 23 -9.756 1.189 11.227 1.00 0.00 C ATOM 292 CD ARG A 23 -9.741 -0.315 11.008 1.00 0.00 C ATOM 293 NE ARG A 23 -10.817 -0.985 11.734 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.835 -1.126 13.055 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.841 -0.647 13.790 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.849 -1.748 13.643 1.00 0.00 N ATOM 0 H ARG A 23 -8.833 3.523 9.084 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.884 3.612 12.030 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.043 1.524 9.990 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.677 1.373 11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.079 1.406 12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.483 1.648 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.835 -0.527 9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.781 -0.719 11.329 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.597 -1.365 11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.060 -0.169 13.342 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.858 -0.757 14.804 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.615 -2.118 13.081 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.862 -1.856 14.657 1.00 0.00 H new ATOM 310 N LEU A 24 -6.531 4.278 12.390 1.00 0.00 N ATOM 311 CA LEU A 24 -5.179 4.778 12.609 1.00 0.00 C ATOM 312 C LEU A 24 -4.243 3.650 13.030 1.00 0.00 C ATOM 313 O LEU A 24 -4.668 2.676 13.652 1.00 0.00 O ATOM 314 CB LEU A 24 -5.186 5.875 13.676 1.00 0.00 C ATOM 315 CG LEU A 24 -5.791 7.215 13.256 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.019 8.102 14.470 1.00 0.00 C ATOM 317 CD2 LEU A 24 -4.893 7.913 12.245 1.00 0.00 C ATOM 0 H LEU A 24 -7.133 4.317 13.212 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.816 5.195 11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.734 5.507 14.543 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.159 6.048 13.998 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.755 7.024 12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.450 9.051 14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.702 7.606 15.159 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.068 8.285 14.971 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.340 8.865 11.958 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.914 8.091 12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.781 7.284 11.362 1.00 0.00 H new ATOM 329 N PHE A 25 -2.966 3.789 12.690 1.00 0.00 N ATOM 330 CA PHE A 25 -1.969 2.782 13.034 1.00 0.00 C ATOM 331 C PHE A 25 -0.640 3.436 13.403 1.00 0.00 C ATOM 332 O PHE A 25 -0.118 4.268 12.661 1.00 0.00 O ATOM 333 CB PHE A 25 -1.766 1.815 11.866 1.00 0.00 C ATOM 334 CG PHE A 25 -3.014 1.075 11.478 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.945 1.656 10.632 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.256 -0.202 11.958 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.095 0.977 10.274 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.403 -0.886 11.603 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.323 -0.296 10.759 1.00 0.00 C ATOM 0 H PHE A 25 -2.597 4.589 12.176 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.334 2.227 13.898 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.400 2.371 11.003 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.993 1.094 12.132 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.770 2.650 10.248 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.539 -0.669 12.618 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.814 1.442 9.616 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.580 -1.881 11.985 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.219 -0.829 10.479 1.00 0.00 H new ATOM 349 N ALA A 26 -0.100 3.054 14.555 1.00 0.00 N ATOM 350 CA ALA A 26 1.168 3.601 15.023 1.00 0.00 C ATOM 351 C ALA A 26 2.120 3.853 13.859 1.00 0.00 C ATOM 352 O ALA A 26 2.593 4.973 13.663 1.00 0.00 O ATOM 353 CB ALA A 26 1.806 2.663 16.036 1.00 0.00 C ATOM 0 H ALA A 26 -0.520 2.368 15.182 1.00 0.00 H new ATOM 0 HA ALA A 26 0.967 4.557 15.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.752 3.084 16.377 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.137 2.538 16.887 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.987 1.694 15.571 1.00 0.00 H new ATOM 359 N SER A 27 2.398 2.805 13.091 1.00 0.00 N ATOM 360 CA SER A 27 3.298 2.912 11.949 1.00 0.00 C ATOM 361 C SER A 27 2.604 2.466 10.666 1.00 0.00 C ATOM 362 O SER A 27 1.494 1.934 10.701 1.00 0.00 O ATOM 363 CB SER A 27 4.554 2.070 12.182 1.00 0.00 C ATOM 364 OG SER A 27 5.342 2.608 13.229 1.00 0.00 O ATOM 0 H SER A 27 2.013 1.872 13.239 1.00 0.00 H new ATOM 0 HA SER A 27 3.585 3.958 11.841 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.269 1.047 12.426 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.142 2.027 11.265 1.00 0.00 H new ATOM 0 HG SER A 27 6.138 2.051 13.359 1.00 0.00 H new ATOM 370 N ALA A 28 3.265 2.686 9.535 1.00 0.00 N ATOM 371 CA ALA A 28 2.714 2.305 8.240 1.00 0.00 C ATOM 372 C ALA A 28 2.537 0.794 8.142 1.00 0.00 C ATOM 373 O ALA A 28 1.434 0.303 7.906 1.00 0.00 O ATOM 374 CB ALA A 28 3.608 2.809 7.117 1.00 0.00 C ATOM 0 H ALA A 28 4.184 3.127 9.489 1.00 0.00 H new ATOM 0 HA ALA A 28 1.731 2.766 8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.184 2.517 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.678 3.896 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.603 2.376 7.222 1.00 0.00 H new ATOM 380 N GLU A 29 3.632 0.062 8.324 1.00 0.00 N ATOM 381 CA GLU A 29 3.596 -1.394 8.253 1.00 0.00 C ATOM 382 C GLU A 29 2.303 -1.937 8.854 1.00 0.00 C ATOM 383 O GLU A 29 1.667 -2.823 8.285 1.00 0.00 O ATOM 384 CB GLU A 29 4.801 -1.992 8.985 1.00 0.00 C ATOM 385 CG GLU A 29 6.029 -2.150 8.105 1.00 0.00 C ATOM 386 CD GLU A 29 7.054 -3.096 8.700 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.351 -2.966 9.906 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.560 -3.966 7.960 1.00 0.00 O ATOM 0 H GLU A 29 4.553 0.453 8.521 1.00 0.00 H new ATOM 0 HA GLU A 29 3.637 -1.682 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.052 -1.356 9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.524 -2.967 9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.725 -2.519 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.488 -1.174 7.949 1.00 0.00 H new ATOM 395 N GLU A 30 1.921 -1.397 10.007 1.00 0.00 N ATOM 396 CA GLU A 30 0.704 -1.829 10.685 1.00 0.00 C ATOM 397 C GLU A 30 -0.494 -1.773 9.741 1.00 0.00 C ATOM 398 O GLU A 30 -1.142 -2.787 9.480 1.00 0.00 O ATOM 399 CB GLU A 30 0.441 -0.954 11.913 1.00 0.00 C ATOM 400 CG GLU A 30 1.083 -1.482 13.185 1.00 0.00 C ATOM 401 CD GLU A 30 2.569 -1.737 13.026 1.00 0.00 C ATOM 402 OE1 GLU A 30 3.220 -0.998 12.258 1.00 0.00 O ATOM 403 OE2 GLU A 30 3.081 -2.677 13.670 1.00 0.00 O ATOM 0 H GLU A 30 2.436 -0.661 10.491 1.00 0.00 H new ATOM 0 HA GLU A 30 0.844 -2.861 11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.813 0.052 11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.635 -0.871 12.066 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.925 -0.766 13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.589 -2.408 13.480 1.00 0.00 H new ATOM 410 N THR A 31 -0.784 -0.580 9.232 1.00 0.00 N ATOM 411 CA THR A 31 -1.903 -0.390 8.319 1.00 0.00 C ATOM 412 C THR A 31 -1.881 -1.424 7.199 1.00 0.00 C ATOM 413 O THR A 31 -2.815 -2.213 7.051 1.00 0.00 O ATOM 414 CB THR A 31 -1.891 1.021 7.700 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.567 1.992 8.700 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.241 1.353 7.082 1.00 0.00 C ATOM 0 H THR A 31 -0.258 0.270 9.437 1.00 0.00 H new ATOM 0 HA THR A 31 -2.813 -0.513 8.906 1.00 0.00 H new ATOM 0 HB THR A 31 -1.135 1.042 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.318 2.083 9.323 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.208 2.354 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.471 0.629 6.300 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.013 1.314 7.851 1.00 0.00 H new ATOM 424 N PHE A 32 -0.810 -1.416 6.413 1.00 0.00 N ATOM 425 CA PHE A 32 -0.667 -2.354 5.306 1.00 0.00 C ATOM 426 C PHE A 32 -1.130 -3.750 5.712 1.00 0.00 C ATOM 427 O PHE A 32 -2.092 -4.282 5.158 1.00 0.00 O ATOM 428 CB PHE A 32 0.789 -2.404 4.838 1.00 0.00 C ATOM 429 CG PHE A 32 1.281 -1.104 4.268 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.476 -0.353 3.426 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.547 -0.633 4.574 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.926 0.843 2.900 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.003 0.563 4.051 1.00 0.00 C ATOM 434 CZ PHE A 32 2.190 1.302 3.214 1.00 0.00 C ATOM 0 H PHE A 32 -0.028 -0.770 6.522 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.294 -2.007 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.423 -2.686 5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.893 -3.185 4.084 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.514 -0.706 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.186 -1.207 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.290 1.418 2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.993 0.919 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.542 2.238 2.806 1.00 0.00 H new ATOM 444 N SER A 33 -0.439 -4.337 6.684 1.00 0.00 N ATOM 445 CA SER A 33 -0.776 -5.673 7.162 1.00 0.00 C ATOM 446 C SER A 33 -2.270 -5.785 7.452 1.00 0.00 C ATOM 447 O SER A 33 -2.911 -6.775 7.096 1.00 0.00 O ATOM 448 CB SER A 33 0.025 -6.003 8.423 1.00 0.00 C ATOM 449 OG SER A 33 -0.057 -7.384 8.731 1.00 0.00 O ATOM 0 H SER A 33 0.357 -3.909 7.156 1.00 0.00 H new ATOM 0 HA SER A 33 -0.520 -6.388 6.380 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.068 -5.720 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.352 -5.417 9.261 1.00 0.00 H new ATOM 0 HG SER A 33 0.464 -7.570 9.540 1.00 0.00 H new ATOM 455 N HIS A 34 -2.819 -4.763 8.100 1.00 0.00 N ATOM 456 CA HIS A 34 -4.238 -4.745 8.438 1.00 0.00 C ATOM 457 C HIS A 34 -5.097 -4.851 7.182 1.00 0.00 C ATOM 458 O HIS A 34 -6.094 -5.574 7.158 1.00 0.00 O ATOM 459 CB HIS A 34 -4.586 -3.467 9.202 1.00 0.00 C ATOM 460 CG HIS A 34 -5.975 -2.972 8.939 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.098 -3.556 9.486 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.419 -1.940 8.184 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.173 -2.905 9.077 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.788 -1.920 8.286 1.00 0.00 N ATOM 0 H HIS A 34 -2.303 -3.936 8.402 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.446 -5.606 9.073 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.470 -3.649 10.270 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.874 -2.687 8.933 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.099 -4.364 10.109 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.810 -1.259 7.608 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.193 -3.139 9.344 1.00 0.00 H new ATOM 472 N CYS A 35 -4.705 -4.125 6.140 1.00 0.00 N ATOM 473 CA CYS A 35 -5.440 -4.136 4.880 1.00 0.00 C ATOM 474 C CYS A 35 -5.318 -5.492 4.191 1.00 0.00 C ATOM 475 O CYS A 35 -6.251 -5.952 3.533 1.00 0.00 O ATOM 476 CB CYS A 35 -4.925 -3.032 3.956 1.00 0.00 C ATOM 477 SG CYS A 35 -4.868 -1.395 4.721 1.00 0.00 S ATOM 0 H CYS A 35 -3.883 -3.522 6.143 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.492 -3.954 5.100 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.924 -3.297 3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.562 -2.986 3.072 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.079 -0.960 4.906 1.00 0.00 H new ATOM 483 N LYS A 36 -4.160 -6.126 4.346 1.00 0.00 N ATOM 484 CA LYS A 36 -3.914 -7.428 3.739 1.00 0.00 C ATOM 485 C LYS A 36 -4.756 -8.509 4.410 1.00 0.00 C ATOM 486 O LYS A 36 -5.008 -9.565 3.828 1.00 0.00 O ATOM 487 CB LYS A 36 -2.430 -7.788 3.838 1.00 0.00 C ATOM 488 CG LYS A 36 -1.617 -7.355 2.630 1.00 0.00 C ATOM 489 CD LYS A 36 -0.144 -7.212 2.971 1.00 0.00 C ATOM 490 CE LYS A 36 0.194 -5.793 3.402 1.00 0.00 C ATOM 491 NZ LYS A 36 0.226 -4.855 2.245 1.00 0.00 N ATOM 0 H LYS A 36 -3.377 -5.759 4.887 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.198 -7.370 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.011 -7.325 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.334 -8.867 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.737 -8.085 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.998 -6.405 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.115 -7.907 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.459 -7.483 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.542 -5.449 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.162 -5.786 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.999 -4.171 2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.381 -5.391 1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.679 -4.347 2.185 1.00 0.00 H new ATOM 505 N LEU A 37 -5.188 -8.239 5.637 1.00 0.00 N ATOM 506 CA LEU A 37 -6.003 -9.188 6.387 1.00 0.00 C ATOM 507 C LEU A 37 -7.488 -8.875 6.229 1.00 0.00 C ATOM 508 O LEU A 37 -8.297 -9.768 5.979 1.00 0.00 O ATOM 509 CB LEU A 37 -5.620 -9.161 7.868 1.00 0.00 C ATOM 510 CG LEU A 37 -4.139 -9.377 8.181 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.740 -8.609 9.432 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.840 -10.860 8.346 1.00 0.00 C ATOM 0 H LEU A 37 -4.987 -7.371 6.133 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.816 -10.185 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.922 -8.200 8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.196 -9.928 8.386 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.552 -8.999 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.683 -8.775 9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.917 -7.545 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.334 -8.956 10.277 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.782 -10.995 8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.437 -11.263 9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.087 -11.386 7.424 1.00 0.00 H new ATOM 524 N GLU A 38 -7.838 -7.601 6.373 1.00 0.00 N ATOM 525 CA GLU A 38 -9.225 -7.171 6.245 1.00 0.00 C ATOM 526 C GLU A 38 -9.575 -6.892 4.786 1.00 0.00 C ATOM 527 O GLU A 38 -10.363 -7.615 4.176 1.00 0.00 O ATOM 528 CB GLU A 38 -9.475 -5.919 7.089 1.00 0.00 C ATOM 529 CG GLU A 38 -9.257 -6.136 8.578 1.00 0.00 C ATOM 530 CD GLU A 38 -10.474 -6.723 9.266 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.606 -6.381 8.864 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.293 -7.524 10.207 1.00 0.00 O ATOM 0 H GLU A 38 -7.180 -6.849 6.578 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.863 -7.977 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.815 -5.122 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.498 -5.579 6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.406 -6.801 8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.003 -5.185 9.047 1.00 0.00 H new ATOM 539 N HIS A 39 -8.985 -5.836 4.234 1.00 0.00 N ATOM 540 CA HIS A 39 -9.234 -5.461 2.846 1.00 0.00 C ATOM 541 C HIS A 39 -8.495 -6.392 1.890 1.00 0.00 C ATOM 542 O HIS A 39 -8.489 -6.174 0.679 1.00 0.00 O ATOM 543 CB HIS A 39 -8.804 -4.014 2.603 1.00 0.00 C ATOM 544 CG HIS A 39 -9.379 -3.044 3.589 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.704 -3.055 3.971 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.800 -2.030 4.274 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.915 -2.089 4.846 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.776 -1.452 5.048 1.00 0.00 N ATOM 0 H HIS A 39 -8.332 -5.226 4.726 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.304 -5.551 2.657 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.716 -3.956 2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.104 -3.718 1.598 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.411 -3.707 3.631 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.763 -1.731 4.222 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.859 -1.859 5.317 1.00 0.00 H new ATOM 556 N GLN A 40 -7.872 -7.427 2.444 1.00 0.00 N ATOM 557 CA GLN A 40 -7.128 -8.390 1.639 1.00 0.00 C ATOM 558 C GLN A 40 -6.453 -7.704 0.456 1.00 0.00 C ATOM 559 O GLN A 40 -6.334 -8.282 -0.624 1.00 0.00 O ATOM 560 CB GLN A 40 -8.059 -9.496 1.139 1.00 0.00 C ATOM 561 CG GLN A 40 -9.212 -8.983 0.291 1.00 0.00 C ATOM 562 CD GLN A 40 -10.276 -10.037 0.054 1.00 0.00 C ATOM 563 OE1 GLN A 40 -10.478 -10.489 -1.073 1.00 0.00 O ATOM 564 NE2 GLN A 40 -10.963 -10.435 1.119 1.00 0.00 N ATOM 0 H GLN A 40 -7.867 -7.621 3.445 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.356 -8.832 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.479 -10.211 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.461 -10.036 1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.663 -8.121 0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.827 -8.639 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.762 -10.033 2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.691 -11.142 1.021 1.00 0.00 H new ATOM 573 N PHE A 41 -6.013 -6.468 0.667 1.00 0.00 N ATOM 574 CA PHE A 41 -5.351 -5.702 -0.382 1.00 0.00 C ATOM 575 C PHE A 41 -3.879 -5.479 -0.046 1.00 0.00 C ATOM 576 O PHE A 41 -3.547 -4.950 1.013 1.00 0.00 O ATOM 577 CB PHE A 41 -6.051 -4.356 -0.580 1.00 0.00 C ATOM 578 CG PHE A 41 -5.138 -3.274 -1.083 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.928 -3.103 -2.442 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.491 -2.428 -0.197 1.00 0.00 C ATOM 581 CE1 PHE A 41 -4.088 -2.109 -2.907 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.650 -1.432 -0.656 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.449 -1.271 -2.013 1.00 0.00 C ATOM 0 H PHE A 41 -6.103 -5.975 1.556 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.411 -6.274 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.873 -4.483 -1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.488 -4.040 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.426 -3.754 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.646 -2.548 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.931 -1.987 -3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.151 -0.780 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.794 -0.492 -2.375 1.00 0.00 H new ATOM 593 N ASN A 42 -3.002 -5.887 -0.958 1.00 0.00 N ATOM 594 CA ASN A 42 -1.566 -5.733 -0.759 1.00 0.00 C ATOM 595 C ASN A 42 -1.056 -4.462 -1.433 1.00 0.00 C ATOM 596 O ASN A 42 -1.427 -4.157 -2.566 1.00 0.00 O ATOM 597 CB ASN A 42 -0.820 -6.950 -1.309 1.00 0.00 C ATOM 598 CG ASN A 42 0.499 -7.189 -0.601 1.00 0.00 C ATOM 599 OD1 ASN A 42 1.304 -6.272 -0.437 1.00 0.00 O ATOM 600 ND2 ASN A 42 0.727 -8.427 -0.177 1.00 0.00 N ATOM 0 H ASN A 42 -3.261 -6.326 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.380 -5.655 0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.449 -7.834 -1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.637 -6.809 -2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.598 -8.648 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.031 -9.156 -0.335 1.00 0.00 H new ATOM 607 N ILE A 43 -0.204 -3.726 -0.727 1.00 0.00 N ATOM 608 CA ILE A 43 0.358 -2.490 -1.258 1.00 0.00 C ATOM 609 C ILE A 43 1.633 -2.761 -2.049 1.00 0.00 C ATOM 610 O ILE A 43 1.915 -2.088 -3.041 1.00 0.00 O ATOM 611 CB ILE A 43 0.668 -1.485 -0.133 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.183 -0.170 -0.723 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.684 -2.070 0.835 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.104 0.659 -1.385 1.00 0.00 C ATOM 0 H ILE A 43 0.112 -3.964 0.213 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.393 -2.061 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.252 -1.281 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.646 0.418 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.961 -0.389 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.893 -1.348 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.283 -2.983 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.606 -2.299 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.541 1.576 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.344 0.090 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.663 0.909 -0.653 1.00 0.00 H new ATOM 626 N ASP A 44 2.400 -3.750 -1.604 1.00 0.00 N ATOM 627 CA ASP A 44 3.644 -4.113 -2.272 1.00 0.00 C ATOM 628 C ASP A 44 3.387 -4.508 -3.723 1.00 0.00 C ATOM 629 O ASP A 44 4.115 -4.097 -4.627 1.00 0.00 O ATOM 630 CB ASP A 44 4.329 -5.263 -1.531 1.00 0.00 C ATOM 631 CG ASP A 44 4.689 -4.899 -0.104 1.00 0.00 C ATOM 632 OD1 ASP A 44 4.824 -3.691 0.185 1.00 0.00 O ATOM 633 OD2 ASP A 44 4.836 -5.822 0.724 1.00 0.00 O ATOM 0 H ASP A 44 2.182 -4.315 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 44 4.300 -3.243 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.671 -6.132 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.233 -5.551 -2.069 1.00 0.00 H new ATOM 638 N SER A 45 2.348 -5.308 -3.938 1.00 0.00 N ATOM 639 CA SER A 45 1.998 -5.762 -5.279 1.00 0.00 C ATOM 640 C SER A 45 1.867 -4.581 -6.236 1.00 0.00 C ATOM 641 O SER A 45 2.274 -4.659 -7.395 1.00 0.00 O ATOM 642 CB SER A 45 0.690 -6.555 -5.246 1.00 0.00 C ATOM 643 OG SER A 45 -0.424 -5.694 -5.080 1.00 0.00 O ATOM 0 H SER A 45 1.734 -5.655 -3.201 1.00 0.00 H new ATOM 0 HA SER A 45 2.798 -6.410 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.581 -7.122 -6.171 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.720 -7.278 -4.431 1.00 0.00 H new ATOM 0 HG SER A 45 -0.446 -5.362 -4.158 1.00 0.00 H new ATOM 649 N MET A 46 1.296 -3.488 -5.741 1.00 0.00 N ATOM 650 CA MET A 46 1.112 -2.289 -6.551 1.00 0.00 C ATOM 651 C MET A 46 2.456 -1.717 -6.989 1.00 0.00 C ATOM 652 O MET A 46 2.713 -1.551 -8.182 1.00 0.00 O ATOM 653 CB MET A 46 0.326 -1.235 -5.770 1.00 0.00 C ATOM 654 CG MET A 46 -1.022 -1.729 -5.270 1.00 0.00 C ATOM 655 SD MET A 46 -2.247 -0.411 -5.158 1.00 0.00 S ATOM 656 CE MET A 46 -3.359 -0.868 -6.486 1.00 0.00 C ATOM 0 H MET A 46 0.953 -3.408 -4.784 1.00 0.00 H new ATOM 0 HA MET A 46 0.548 -2.566 -7.441 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.922 -0.906 -4.919 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.171 -0.364 -6.406 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.391 -2.506 -5.939 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.896 -2.187 -4.289 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.625 0.020 -7.059 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.868 -1.588 -7.140 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.261 -1.314 -6.068 1.00 0.00 H new ATOM 666 N VAL A 47 3.311 -1.417 -6.017 1.00 0.00 N ATOM 667 CA VAL A 47 4.630 -0.863 -6.302 1.00 0.00 C ATOM 668 C VAL A 47 5.283 -1.578 -7.480 1.00 0.00 C ATOM 669 O VAL A 47 5.921 -0.950 -8.325 1.00 0.00 O ATOM 670 CB VAL A 47 5.558 -0.964 -5.076 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.946 -0.442 -5.413 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.966 -0.207 -3.897 1.00 0.00 C ATOM 0 H VAL A 47 3.114 -1.548 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 47 4.485 0.188 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 47 5.649 -2.013 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.587 -0.521 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.369 -1.032 -6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.878 0.602 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.634 -0.289 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.844 0.843 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.995 -0.632 -3.642 1.00 0.00 H new ATOM 682 N HIS A 48 5.118 -2.896 -7.530 1.00 0.00 N ATOM 683 CA HIS A 48 5.690 -3.697 -8.607 1.00 0.00 C ATOM 684 C HIS A 48 4.776 -3.699 -9.828 1.00 0.00 C ATOM 685 O HIS A 48 5.244 -3.686 -10.967 1.00 0.00 O ATOM 686 CB HIS A 48 5.929 -5.131 -8.132 1.00 0.00 C ATOM 687 CG HIS A 48 7.105 -5.271 -7.216 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.404 -5.373 -7.669 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.174 -5.323 -5.865 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.220 -5.484 -6.636 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.499 -5.456 -5.530 1.00 0.00 N ATOM 0 H HIS A 48 4.594 -3.432 -6.838 1.00 0.00 H new ATOM 0 HA HIS A 48 6.644 -3.252 -8.890 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.036 -5.489 -7.620 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.077 -5.773 -9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.342 -5.270 -5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.294 -5.581 -6.687 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.867 -5.522 -4.581 1.00 0.00 H new ATOM 699 N LYS A 49 3.470 -3.715 -9.584 1.00 0.00 N ATOM 700 CA LYS A 49 2.490 -3.718 -10.663 1.00 0.00 C ATOM 701 C LYS A 49 2.631 -2.470 -11.530 1.00 0.00 C ATOM 702 O LYS A 49 3.066 -2.547 -12.679 1.00 0.00 O ATOM 703 CB LYS A 49 1.072 -3.797 -10.091 1.00 0.00 C ATOM 704 CG LYS A 49 0.049 -4.336 -11.076 1.00 0.00 C ATOM 705 CD LYS A 49 -0.578 -3.220 -11.896 1.00 0.00 C ATOM 706 CE LYS A 49 -1.821 -3.699 -12.630 1.00 0.00 C ATOM 707 NZ LYS A 49 -3.031 -3.649 -11.763 1.00 0.00 N ATOM 0 H LYS A 49 3.066 -3.726 -8.648 1.00 0.00 H new ATOM 0 HA LYS A 49 2.674 -4.594 -11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.081 -4.432 -9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.764 -2.803 -9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.527 -5.054 -11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.730 -4.873 -10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.838 -2.388 -11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.149 -2.844 -12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.982 -3.081 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.666 -4.720 -12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.850 -4.015 -12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.875 -4.231 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.214 -2.666 -11.478 1.00 0.00 H new ATOM 721 N HIS A 50 2.262 -1.322 -10.971 1.00 0.00 N ATOM 722 CA HIS A 50 2.349 -0.058 -11.693 1.00 0.00 C ATOM 723 C HIS A 50 3.716 0.590 -11.489 1.00 0.00 C ATOM 724 O HIS A 50 3.860 1.807 -11.600 1.00 0.00 O ATOM 725 CB HIS A 50 1.246 0.895 -11.231 1.00 0.00 C ATOM 726 CG HIS A 50 -0.133 0.430 -11.584 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.646 0.498 -12.862 1.00 0.00 N ATOM 728 CD2 HIS A 50 -1.107 -0.113 -10.817 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.877 0.019 -12.866 1.00 0.00 C ATOM 730 NE2 HIS A 50 -2.181 -0.360 -11.638 1.00 0.00 N ATOM 0 H HIS A 50 1.900 -1.241 -10.021 1.00 0.00 H new ATOM 0 HA HIS A 50 2.218 -0.264 -12.755 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.313 1.019 -10.150 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.415 1.876 -11.675 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.152 0.861 -13.677 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.051 -0.315 -9.757 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.525 -0.051 -13.727 1.00 0.00 H new ATOM 738 N GLY A 51 4.717 -0.232 -11.190 1.00 0.00 N ATOM 739 CA GLY A 51 6.058 0.279 -10.975 1.00 0.00 C ATOM 740 C GLY A 51 6.059 1.649 -10.326 1.00 0.00 C ATOM 741 O GLY A 51 6.610 2.604 -10.875 1.00 0.00 O ATOM 0 H GLY A 51 4.623 -1.243 -11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.613 -0.418 -10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.581 0.332 -11.930 1.00 0.00 H new ATOM 745 N LEU A 52 5.439 1.748 -9.155 1.00 0.00 N ATOM 746 CA LEU A 52 5.369 3.012 -8.430 1.00 0.00 C ATOM 747 C LEU A 52 6.746 3.425 -7.920 1.00 0.00 C ATOM 748 O LEU A 52 7.277 2.826 -6.985 1.00 0.00 O ATOM 749 CB LEU A 52 4.392 2.897 -7.259 1.00 0.00 C ATOM 750 CG LEU A 52 2.960 2.495 -7.615 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.212 2.030 -6.376 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.231 3.655 -8.278 1.00 0.00 C ATOM 0 H LEU A 52 4.977 0.968 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 52 5.013 3.778 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.788 2.167 -6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.361 3.856 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 52 3.000 1.666 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.195 1.748 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.723 1.170 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.181 2.838 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.214 3.352 -8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.201 4.504 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.756 3.941 -9.190 1.00 0.00 H new ATOM 764 N GLU A 53 7.318 4.452 -8.541 1.00 0.00 N ATOM 765 CA GLU A 53 8.632 4.945 -8.148 1.00 0.00 C ATOM 766 C GLU A 53 8.541 5.789 -6.880 1.00 0.00 C ATOM 767 O GLU A 53 7.456 5.994 -6.334 1.00 0.00 O ATOM 768 CB GLU A 53 9.251 5.770 -9.279 1.00 0.00 C ATOM 769 CG GLU A 53 9.857 4.925 -10.387 1.00 0.00 C ATOM 770 CD GLU A 53 8.809 4.194 -11.203 1.00 0.00 C ATOM 771 OE1 GLU A 53 7.770 4.809 -11.522 1.00 0.00 O ATOM 772 OE2 GLU A 53 9.028 3.006 -11.522 1.00 0.00 O ATOM 0 H GLU A 53 6.892 4.958 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 53 9.268 4.084 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.486 6.418 -9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.023 6.418 -8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.445 5.564 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.544 4.199 -9.951 1.00 0.00 H new ATOM 779 N PHE A 54 9.687 6.276 -6.416 1.00 0.00 N ATOM 780 CA PHE A 54 9.737 7.097 -5.212 1.00 0.00 C ATOM 781 C PHE A 54 8.493 7.973 -5.099 1.00 0.00 C ATOM 782 O PHE A 54 7.825 7.991 -4.065 1.00 0.00 O ATOM 783 CB PHE A 54 10.992 7.972 -5.217 1.00 0.00 C ATOM 784 CG PHE A 54 10.979 9.046 -4.167 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.416 10.284 -4.431 1.00 0.00 C ATOM 786 CD2 PHE A 54 11.529 8.817 -2.916 1.00 0.00 C ATOM 787 CE1 PHE A 54 10.403 11.274 -3.467 1.00 0.00 C ATOM 788 CE2 PHE A 54 11.519 9.803 -1.948 1.00 0.00 C ATOM 789 CZ PHE A 54 10.954 11.033 -2.223 1.00 0.00 C ATOM 0 H PHE A 54 10.594 6.116 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 54 9.771 6.431 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.867 7.339 -5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.098 8.435 -6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.982 10.478 -5.401 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.971 7.857 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.962 12.235 -3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.953 9.612 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.943 11.805 -1.467 1.00 0.00 H new ATOM 799 N TYR A 55 8.189 8.700 -6.168 1.00 0.00 N ATOM 800 CA TYR A 55 7.028 9.581 -6.189 1.00 0.00 C ATOM 801 C TYR A 55 5.759 8.802 -6.521 1.00 0.00 C ATOM 802 O TYR A 55 4.742 8.930 -5.840 1.00 0.00 O ATOM 803 CB TYR A 55 7.232 10.704 -7.207 1.00 0.00 C ATOM 804 CG TYR A 55 8.108 11.828 -6.702 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.633 12.739 -5.767 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.412 11.978 -7.159 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.429 13.768 -5.303 1.00 0.00 C ATOM 808 CE2 TYR A 55 10.216 13.003 -6.699 1.00 0.00 C ATOM 809 CZ TYR A 55 9.720 13.896 -5.772 1.00 0.00 C ATOM 810 OH TYR A 55 10.517 14.918 -5.311 1.00 0.00 O ATOM 0 H TYR A 55 8.731 8.696 -7.032 1.00 0.00 H new ATOM 0 HA TYR A 55 6.916 10.016 -5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.676 10.287 -8.111 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.260 11.110 -7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.623 12.641 -5.396 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.803 11.282 -7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.043 14.468 -4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 55 11.228 13.105 -7.063 1.00 0.00 H new ATOM 0 HH TYR A 55 11.397 14.866 -5.740 1.00 0.00 H new ATOM 820 N GLY A 56 5.827 7.994 -7.575 1.00 0.00 N ATOM 821 CA GLY A 56 4.678 7.205 -7.980 1.00 0.00 C ATOM 822 C GLY A 56 3.899 6.665 -6.797 1.00 0.00 C ATOM 823 O GLY A 56 2.698 6.907 -6.674 1.00 0.00 O ATOM 0 H GLY A 56 6.657 7.872 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.019 7.818 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.013 6.374 -8.601 1.00 0.00 H new ATOM 827 N TYR A 57 4.582 5.932 -5.926 1.00 0.00 N ATOM 828 CA TYR A 57 3.945 5.353 -4.749 1.00 0.00 C ATOM 829 C TYR A 57 3.177 6.415 -3.967 1.00 0.00 C ATOM 830 O TYR A 57 2.011 6.223 -3.621 1.00 0.00 O ATOM 831 CB TYR A 57 4.993 4.698 -3.846 1.00 0.00 C ATOM 832 CG TYR A 57 4.522 4.492 -2.424 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.733 3.399 -2.085 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.866 5.389 -1.421 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.301 3.207 -0.787 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.439 5.203 -0.120 1.00 0.00 C ATOM 837 CZ TYR A 57 3.657 4.111 0.192 1.00 0.00 C ATOM 838 OH TYR A 57 3.229 3.924 1.486 1.00 0.00 O ATOM 0 H TYR A 57 5.577 5.724 -6.012 1.00 0.00 H new ATOM 0 HA TYR A 57 3.239 4.594 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.275 3.734 -4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.890 5.317 -3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.453 2.688 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.477 6.246 -1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.687 2.353 -0.540 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.716 5.909 0.649 1.00 0.00 H new ATOM 0 HH TYR A 57 3.159 4.792 1.936 1.00 0.00 H new ATOM 848 N ILE A 58 3.839 7.534 -3.695 1.00 0.00 N ATOM 849 CA ILE A 58 3.218 8.627 -2.957 1.00 0.00 C ATOM 850 C ILE A 58 1.832 8.945 -3.507 1.00 0.00 C ATOM 851 O ILE A 58 0.891 9.184 -2.749 1.00 0.00 O ATOM 852 CB ILE A 58 4.082 9.901 -3.006 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.447 9.643 -2.365 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.371 11.050 -2.307 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.482 10.693 -2.704 1.00 0.00 C ATOM 0 H ILE A 58 4.805 7.708 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 58 3.128 8.298 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 58 4.238 10.177 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.328 9.598 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.812 8.668 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.994 11.943 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.421 11.246 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.188 10.785 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.425 10.446 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.630 10.723 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.139 11.668 -2.357 1.00 0.00 H new ATOM 867 N LYS A 59 1.712 8.943 -4.830 1.00 0.00 N ATOM 868 CA LYS A 59 0.440 9.228 -5.483 1.00 0.00 C ATOM 869 C LYS A 59 -0.587 8.143 -5.172 1.00 0.00 C ATOM 870 O LYS A 59 -1.772 8.428 -4.997 1.00 0.00 O ATOM 871 CB LYS A 59 0.635 9.342 -6.997 1.00 0.00 C ATOM 872 CG LYS A 59 1.592 10.448 -7.405 1.00 0.00 C ATOM 873 CD LYS A 59 1.510 10.735 -8.895 1.00 0.00 C ATOM 874 CE LYS A 59 2.710 11.535 -9.376 1.00 0.00 C ATOM 875 NZ LYS A 59 2.808 11.550 -10.862 1.00 0.00 N ATOM 0 H LYS A 59 2.481 8.747 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 59 0.067 10.177 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.007 8.392 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.332 9.518 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.361 11.355 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.611 10.163 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.454 9.796 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.594 11.286 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.636 12.558 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.622 11.110 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.639 12.105 -11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.904 10.576 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.949 11.979 -11.262 1.00 0.00 H new ATOM 889 N LEU A 60 -0.124 6.900 -5.104 1.00 0.00 N ATOM 890 CA LEU A 60 -1.002 5.772 -4.813 1.00 0.00 C ATOM 891 C LEU A 60 -1.694 5.955 -3.466 1.00 0.00 C ATOM 892 O LEU A 60 -2.908 5.781 -3.352 1.00 0.00 O ATOM 893 CB LEU A 60 -0.205 4.466 -4.816 1.00 0.00 C ATOM 894 CG LEU A 60 -1.017 3.184 -4.630 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.342 2.966 -3.160 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.293 3.236 -5.458 1.00 0.00 C ATOM 0 H LEU A 60 0.854 6.648 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.765 5.727 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.336 4.396 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.542 4.518 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.416 2.343 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.920 2.049 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.416 2.883 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.923 3.809 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.858 2.315 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.897 4.086 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.038 3.344 -6.512 1.00 0.00 H new ATOM 908 N ILE A 61 -0.916 6.308 -2.449 1.00 0.00 N ATOM 909 CA ILE A 61 -1.455 6.518 -1.111 1.00 0.00 C ATOM 910 C ILE A 61 -2.482 7.645 -1.103 1.00 0.00 C ATOM 911 O ILE A 61 -3.671 7.414 -0.888 1.00 0.00 O ATOM 912 CB ILE A 61 -0.341 6.847 -0.100 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.658 5.691 -0.015 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.937 7.140 1.268 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.010 4.352 0.259 1.00 0.00 C ATOM 0 H ILE A 61 0.090 6.455 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.938 5.587 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 61 0.189 7.736 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.214 5.632 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.381 5.904 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.137 7.371 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.613 7.992 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.488 6.268 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.777 3.579 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.522 4.393 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.693 4.117 -0.541 1.00 0.00 H new ATOM 927 N ASN A 62 -2.014 8.867 -1.341 1.00 0.00 N ATOM 928 CA ASN A 62 -2.892 10.031 -1.363 1.00 0.00 C ATOM 929 C ASN A 62 -4.101 9.784 -2.259 1.00 0.00 C ATOM 930 O ASN A 62 -5.220 10.183 -1.935 1.00 0.00 O ATOM 931 CB ASN A 62 -2.127 11.264 -1.848 1.00 0.00 C ATOM 932 CG ASN A 62 -1.226 11.844 -0.775 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.620 11.962 0.385 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.008 12.210 -1.160 1.00 0.00 N ATOM 0 H ASN A 62 -1.032 9.076 -1.521 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.245 10.207 -0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.526 10.997 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.837 12.025 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.643 12.607 -0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.276 12.094 -2.133 1.00 0.00 H new ATOM 941 N PHE A 63 -3.869 9.122 -3.388 1.00 0.00 N ATOM 942 CA PHE A 63 -4.939 8.822 -4.332 1.00 0.00 C ATOM 943 C PHE A 63 -6.173 8.295 -3.606 1.00 0.00 C ATOM 944 O PHE A 63 -7.258 8.868 -3.709 1.00 0.00 O ATOM 945 CB PHE A 63 -4.464 7.796 -5.364 1.00 0.00 C ATOM 946 CG PHE A 63 -5.586 7.050 -6.028 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.402 7.680 -6.953 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.824 5.719 -5.726 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.435 6.996 -7.566 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.855 5.030 -6.336 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.663 5.670 -7.256 1.00 0.00 C ATOM 0 H PHE A 63 -2.950 8.783 -3.671 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.207 9.746 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.876 8.306 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.802 7.081 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.229 8.718 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.197 5.214 -5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.063 7.498 -8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.029 3.992 -6.094 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.471 5.134 -7.732 1.00 0.00 H new ATOM 961 N ILE A 64 -5.999 7.200 -2.873 1.00 0.00 N ATOM 962 CA ILE A 64 -7.097 6.597 -2.130 1.00 0.00 C ATOM 963 C ILE A 64 -7.647 7.559 -1.083 1.00 0.00 C ATOM 964 O ILE A 64 -8.827 7.506 -0.734 1.00 0.00 O ATOM 965 CB ILE A 64 -6.658 5.295 -1.434 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.862 4.417 -2.401 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.869 4.543 -0.902 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.515 3.057 -1.838 1.00 0.00 C ATOM 0 H ILE A 64 -5.108 6.713 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.878 6.367 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.015 5.551 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.438 4.286 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.942 4.934 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.542 3.625 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.399 5.168 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.536 4.296 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.951 2.490 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.912 3.179 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.431 2.521 -1.591 1.00 0.00 H new ATOM 980 N ARG A 65 -6.785 8.440 -0.586 1.00 0.00 N ATOM 981 CA ARG A 65 -7.184 9.416 0.421 1.00 0.00 C ATOM 982 C ARG A 65 -8.162 10.431 -0.163 1.00 0.00 C ATOM 983 O ARG A 65 -9.090 10.876 0.514 1.00 0.00 O ATOM 984 CB ARG A 65 -5.955 10.137 0.978 1.00 0.00 C ATOM 985 CG ARG A 65 -4.882 9.197 1.502 1.00 0.00 C ATOM 986 CD ARG A 65 -5.304 8.541 2.807 1.00 0.00 C ATOM 987 NE ARG A 65 -4.160 8.249 3.668 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.271 7.729 4.885 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.466 7.445 5.383 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.183 7.491 5.607 1.00 0.00 N ATOM 0 H ARG A 65 -5.805 8.498 -0.864 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.682 8.883 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.526 10.764 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.268 10.802 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.675 8.428 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.955 9.750 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.997 9.196 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.841 7.617 2.591 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.226 8.456 3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.305 7.626 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.547 7.046 6.318 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.261 7.707 5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.268 7.092 6.542 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.947 10.794 -1.423 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.809 11.757 -2.099 1.00 0.00 C ATOM 1006 C LEU A 66 -10.020 11.065 -2.717 1.00 0.00 C ATOM 1007 O LEU A 66 -11.163 11.435 -2.452 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.025 12.501 -3.181 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.630 13.821 -3.661 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.534 14.800 -4.051 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.574 13.580 -4.831 1.00 0.00 C ATOM 0 H LEU A 66 -7.183 10.436 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.163 12.473 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.022 12.700 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.916 11.841 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.202 14.256 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.984 15.733 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.897 14.996 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.934 14.373 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.996 14.530 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.024 13.123 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.379 12.915 -4.518 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.760 10.056 -3.542 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.827 9.308 -4.196 1.00 0.00 C ATOM 1025 C LYS A 67 -11.560 8.419 -3.197 1.00 0.00 C ATOM 1026 O LYS A 67 -12.777 8.515 -3.042 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.258 8.456 -5.333 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.943 9.249 -6.589 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.205 9.584 -7.368 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.886 9.983 -8.801 1.00 0.00 C ATOM 1031 NZ LYS A 67 -12.025 9.708 -9.719 1.00 0.00 N ATOM 0 H LYS A 67 -8.819 9.738 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.538 10.024 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.349 7.964 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.972 7.670 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.426 10.170 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.265 8.676 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.873 8.722 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.735 10.397 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.639 11.044 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.005 9.439 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.769 9.993 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.245 8.692 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.859 10.247 -9.409 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.811 7.554 -2.521 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.389 6.647 -1.536 1.00 0.00 C ATOM 1047 C ASN A 68 -12.192 5.543 -2.218 1.00 0.00 C ATOM 1048 O ASN A 68 -13.340 5.269 -1.867 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.286 7.420 -0.566 1.00 0.00 C ATOM 1050 CG ASN A 68 -12.353 6.770 0.802 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -13.292 6.033 1.105 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.356 7.040 1.636 1.00 0.00 N ATOM 0 H ASN A 68 -9.802 7.462 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.573 6.187 -0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.912 8.439 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.291 7.490 -0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.348 6.631 2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.598 7.656 1.342 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.575 4.893 -3.216 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.213 3.808 -3.967 1.00 0.00 C ATOM 1061 C PRO A 69 -12.392 2.549 -3.126 1.00 0.00 C ATOM 1062 O PRO A 69 -12.243 2.578 -1.904 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.235 3.550 -5.116 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.915 4.009 -4.600 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.207 5.168 -3.687 1.00 0.00 C ATOM 0 HA PRO A 69 -13.217 4.075 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.210 2.494 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.523 4.100 -6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.406 3.208 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.260 4.311 -5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.499 5.216 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.147 6.120 -4.214 1.00 0.00 H new ATOM 1073 N THR A 70 -12.712 1.441 -3.788 1.00 0.00 N ATOM 1074 CA THR A 70 -12.912 0.171 -3.102 1.00 0.00 C ATOM 1075 C THR A 70 -11.938 -0.887 -3.608 1.00 0.00 C ATOM 1076 O THR A 70 -11.541 -0.874 -4.773 1.00 0.00 O ATOM 1077 CB THR A 70 -14.352 -0.345 -3.283 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.567 -1.497 -2.460 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.621 -0.697 -4.738 1.00 0.00 C ATOM 0 H THR A 70 -12.838 1.398 -4.799 1.00 0.00 H new ATOM 0 HA THR A 70 -12.729 0.352 -2.043 1.00 0.00 H new ATOM 0 HB THR A 70 -15.039 0.447 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.485 -1.818 -2.580 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.644 -1.059 -4.842 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.485 0.189 -5.358 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.927 -1.474 -5.059 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.555 -1.804 -2.725 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.629 -2.871 -3.083 1.00 0.00 C ATOM 1089 C VAL A 71 -10.904 -3.389 -4.490 1.00 0.00 C ATOM 1090 O VAL A 71 -10.062 -3.273 -5.380 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.714 -4.045 -2.089 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.787 -5.173 -2.515 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.383 -3.575 -0.681 1.00 0.00 C ATOM 0 H VAL A 71 -11.872 -1.829 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.626 -2.445 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.735 -4.426 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.860 -5.993 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.075 -5.526 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.760 -4.809 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.448 -4.417 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.372 -3.167 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.091 -2.803 -0.379 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.089 -3.959 -4.683 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.475 -4.496 -5.983 1.00 0.00 C ATOM 1105 C GLU A 72 -11.878 -3.663 -7.114 1.00 0.00 C ATOM 1106 O GLU A 72 -11.364 -4.204 -8.093 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.999 -4.533 -6.112 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.510 -5.690 -6.954 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.783 -5.347 -7.704 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.858 -5.324 -7.069 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -15.704 -5.102 -8.926 1.00 0.00 O ATOM 0 H GLU A 72 -12.798 -4.061 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.087 -5.512 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.438 -4.597 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.341 -3.596 -6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.740 -5.983 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.692 -6.550 -6.310 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.952 -2.344 -6.972 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.422 -1.436 -7.982 1.00 0.00 C ATOM 1120 C TYR A 73 -9.897 -1.445 -7.977 1.00 0.00 C ATOM 1121 O TYR A 73 -9.263 -1.665 -9.008 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.936 -0.015 -7.740 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.310 1.018 -8.650 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -11.846 1.283 -9.904 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.184 1.729 -8.254 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.277 2.226 -10.738 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.609 2.674 -9.082 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.159 2.919 -10.323 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.591 3.859 -11.151 1.00 0.00 O ATOM 0 H TYR A 73 -12.374 -1.880 -6.167 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.765 -1.779 -8.958 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.017 -0.000 -7.877 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.742 0.261 -6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.722 0.743 -10.232 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.751 1.540 -7.283 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.706 2.420 -11.710 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.734 3.218 -8.759 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.603 4.734 -10.710 1.00 0.00 H new ATOM 1139 N MET A 74 -9.314 -1.205 -6.807 1.00 0.00 N ATOM 1140 CA MET A 74 -7.863 -1.187 -6.665 1.00 0.00 C ATOM 1141 C MET A 74 -7.229 -2.353 -7.418 1.00 0.00 C ATOM 1142 O MET A 74 -6.132 -2.230 -7.961 1.00 0.00 O ATOM 1143 CB MET A 74 -7.472 -1.247 -5.188 1.00 0.00 C ATOM 1144 CG MET A 74 -7.876 -0.010 -4.402 1.00 0.00 C ATOM 1145 SD MET A 74 -7.336 1.520 -5.189 1.00 0.00 S ATOM 1146 CE MET A 74 -5.571 1.447 -4.896 1.00 0.00 C ATOM 0 H MET A 74 -9.824 -1.020 -5.943 1.00 0.00 H new ATOM 0 HA MET A 74 -7.493 -0.255 -7.093 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.934 -2.123 -4.734 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.393 -1.380 -5.111 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.960 0.007 -4.290 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.453 -0.067 -3.399 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.215 2.425 -4.571 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.361 0.709 -4.122 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.061 1.163 -5.816 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.928 -3.483 -7.446 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.432 -4.671 -8.132 1.00 0.00 C ATOM 1158 C ASN A 75 -7.564 -4.521 -9.645 1.00 0.00 C ATOM 1159 O ASN A 75 -6.747 -5.042 -10.404 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.196 -5.912 -7.663 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.928 -6.239 -6.207 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.834 -6.000 -5.696 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.930 -6.788 -5.531 1.00 0.00 N ATOM 0 H ASN A 75 -8.839 -3.601 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.376 -4.787 -7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.265 -5.753 -7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.915 -6.764 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.810 -7.029 -4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.820 -6.968 -5.995 1.00 0.00 H new ATOM 1170 N SER A 76 -8.598 -3.804 -10.075 1.00 0.00 N ATOM 1171 CA SER A 76 -8.839 -3.588 -11.497 1.00 0.00 C ATOM 1172 C SER A 76 -8.419 -2.181 -11.911 1.00 0.00 C ATOM 1173 O SER A 76 -9.252 -1.282 -12.031 1.00 0.00 O ATOM 1174 CB SER A 76 -10.317 -3.808 -11.824 1.00 0.00 C ATOM 1175 OG SER A 76 -10.635 -5.188 -11.842 1.00 0.00 O ATOM 0 H SER A 76 -9.282 -3.363 -9.459 1.00 0.00 H new ATOM 0 HA SER A 76 -8.240 -4.307 -12.056 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.936 -3.299 -11.085 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.548 -3.366 -12.793 1.00 0.00 H new ATOM 0 HG SER A 76 -11.586 -5.302 -12.052 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.121 -1.998 -12.127 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.589 -0.701 -12.529 1.00 0.00 C ATOM 1183 C ILE A 77 -5.835 -0.801 -13.851 1.00 0.00 C ATOM 1184 O ILE A 77 -5.354 -1.872 -14.223 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.647 -0.122 -11.456 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.356 -0.063 -10.102 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.163 1.260 -11.867 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -5.506 0.528 -9.000 1.00 0.00 C ATOM 0 H ILE A 77 -6.418 -2.731 -12.031 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.442 -0.034 -12.650 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.780 -0.776 -11.363 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.267 0.527 -10.203 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.659 -1.070 -9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.499 1.656 -11.099 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.625 1.191 -12.812 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.019 1.925 -11.985 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.073 0.538 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.607 -0.075 -8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.224 1.547 -9.265 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.734 0.321 -14.554 1.00 0.00 N ATOM 1201 CA TYR A 78 -5.039 0.360 -15.835 1.00 0.00 C ATOM 1202 C TYR A 78 -4.278 1.671 -16.002 1.00 0.00 C ATOM 1203 O TYR A 78 -4.444 2.603 -15.216 1.00 0.00 O ATOM 1204 CB TYR A 78 -6.034 0.185 -16.984 1.00 0.00 C ATOM 1205 CG TYR A 78 -7.372 0.841 -16.732 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -8.276 0.295 -15.829 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -7.733 2.007 -17.396 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -9.501 0.891 -15.595 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -8.955 2.610 -17.168 1.00 0.00 C ATOM 1210 CZ TYR A 78 -9.835 2.048 -16.267 1.00 0.00 C ATOM 1211 OH TYR A 78 -11.053 2.645 -16.037 1.00 0.00 O ATOM 0 H TYR A 78 -6.125 1.216 -14.259 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.322 -0.461 -15.856 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.601 0.600 -17.894 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.188 -0.879 -17.161 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.017 -0.611 -15.301 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.046 2.450 -18.103 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.192 0.453 -14.890 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.220 3.516 -17.692 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.132 3.451 -16.589 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.441 1.735 -17.033 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.653 2.931 -17.305 1.00 0.00 C ATOM 1223 C ASN A 79 -3.291 3.762 -18.414 1.00 0.00 C ATOM 1224 O ASN A 79 -3.823 3.235 -19.391 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.224 2.548 -17.696 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.203 3.565 -17.224 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.179 3.580 -16.054 1.00 0.00 O ATOM 1228 ND2 ASN A 79 0.243 4.422 -18.135 1.00 0.00 N ATOM 0 H ASN A 79 -3.291 0.972 -17.694 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.625 3.532 -16.396 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.984 1.573 -17.273 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.161 2.450 -18.780 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.930 5.130 -17.876 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.102 4.373 -19.094 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.236 5.094 -18.262 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.606 5.733 -17.103 1.00 0.00 C ATOM 1237 C PRO A 80 -3.402 5.521 -15.820 1.00 0.00 C ATOM 1238 O PRO A 80 -4.633 5.528 -15.833 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.588 7.216 -17.482 1.00 0.00 C ATOM 1240 CG PRO A 80 -3.710 7.373 -18.449 1.00 0.00 C ATOM 1241 CD PRO A 80 -3.786 6.078 -19.209 1.00 0.00 C ATOM 0 HA PRO A 80 -1.619 5.320 -16.896 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.728 7.850 -16.607 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.636 7.498 -17.931 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.647 7.576 -17.930 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.530 8.211 -19.123 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.811 5.836 -19.489 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.204 6.118 -20.130 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.691 5.332 -14.713 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.331 5.119 -13.420 1.00 0.00 C ATOM 1251 C VAL A 81 -4.144 6.339 -13.002 1.00 0.00 C ATOM 1252 O VAL A 81 -3.848 7.472 -13.380 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.295 4.806 -12.325 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.437 3.615 -12.725 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.430 6.026 -12.046 1.00 0.00 C ATOM 0 H VAL A 81 -1.671 5.322 -14.686 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.997 4.264 -13.534 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.827 4.548 -11.409 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.711 3.409 -11.939 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.072 2.741 -12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.912 3.840 -13.653 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.703 5.787 -11.270 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.906 6.316 -12.957 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.060 6.850 -11.712 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.195 6.104 -12.202 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.072 7.172 -11.713 1.00 0.00 C ATOM 1267 C PRO A 82 -5.377 8.075 -10.700 1.00 0.00 C ATOM 1268 O PRO A 82 -5.985 8.998 -10.158 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.223 6.410 -11.050 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.634 5.098 -10.662 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.606 4.778 -11.712 1.00 0.00 C ATOM 0 HA PRO A 82 -6.390 7.838 -12.515 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.604 6.946 -10.180 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.060 6.281 -11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.178 5.152 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.400 4.324 -10.618 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.764 4.225 -11.295 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.025 4.166 -12.511 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.102 7.803 -10.449 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.324 8.592 -9.500 1.00 0.00 C ATOM 1281 C TRP A 83 -2.104 9.207 -10.175 1.00 0.00 C ATOM 1282 O TRP A 83 -1.155 9.616 -9.507 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.886 7.722 -8.321 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.928 6.636 -8.707 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.611 6.784 -9.036 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.214 5.237 -8.807 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.060 5.561 -9.334 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.023 4.595 -9.200 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.359 4.463 -8.600 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -0.948 3.218 -9.391 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.283 3.097 -8.790 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.084 2.485 -9.182 1.00 0.00 C ATOM 0 H TRP A 83 -3.584 7.042 -10.889 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.957 9.399 -9.131 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.421 8.355 -7.565 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.767 7.273 -7.863 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.080 7.724 -9.059 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.908 5.398 -9.610 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.287 4.925 -8.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.025 2.745 -9.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.162 2.490 -8.634 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.057 1.414 -9.322 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.135 9.270 -11.503 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.030 9.836 -12.267 1.00 0.00 C ATOM 1305 C GLU A 84 -1.172 11.350 -12.389 1.00 0.00 C ATOM 1306 O GLU A 84 -0.811 11.939 -13.409 1.00 0.00 O ATOM 1307 CB GLU A 84 -0.967 9.204 -13.659 1.00 0.00 C ATOM 1308 CG GLU A 84 0.088 8.119 -13.788 1.00 0.00 C ATOM 1309 CD GLU A 84 1.442 8.666 -14.198 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.478 9.610 -15.016 1.00 0.00 O ATOM 1311 OE2 GLU A 84 2.465 8.151 -13.701 1.00 0.00 O ATOM 0 H GLU A 84 -2.913 8.936 -12.071 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.104 9.618 -11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.942 8.781 -13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.766 9.984 -14.394 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.185 7.597 -12.836 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.240 7.384 -14.523 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.699 11.975 -11.343 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.889 13.421 -11.330 1.00 0.00 C ATOM 1320 C LYS A 85 -0.884 14.094 -10.401 1.00 0.00 C ATOM 1321 O LYS A 85 -0.537 13.553 -9.351 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.315 13.765 -10.892 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.376 12.885 -11.529 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.418 13.066 -13.037 1.00 0.00 C ATOM 1325 CE LYS A 85 -5.432 12.133 -13.682 1.00 0.00 C ATOM 1326 NZ LYS A 85 -5.120 10.702 -13.412 1.00 0.00 N ATOM 0 H LYS A 85 -2.003 11.503 -10.492 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.727 13.793 -12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.384 13.676 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.521 14.806 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.174 11.840 -11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.351 13.125 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.671 14.100 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.429 12.876 -13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.429 12.364 -13.306 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.449 12.304 -14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.639 10.101 -14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.098 10.542 -13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.404 10.462 -12.441 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.422 15.276 -10.793 1.00 0.00 N ATOM 1341 CA ASP A 86 0.542 16.023 -9.993 1.00 0.00 C ATOM 1342 C ASP A 86 -0.068 16.443 -8.659 1.00 0.00 C ATOM 1343 O ASP A 86 0.602 16.425 -7.628 1.00 0.00 O ATOM 1344 CB ASP A 86 1.023 17.257 -10.758 1.00 0.00 C ATOM 1345 CG ASP A 86 1.407 18.397 -9.836 1.00 0.00 C ATOM 1346 OD1 ASP A 86 2.322 18.208 -9.008 1.00 0.00 O ATOM 1347 OD2 ASP A 86 0.792 19.479 -9.943 1.00 0.00 O ATOM 0 H ASP A 86 -0.699 15.738 -11.659 1.00 0.00 H new ATOM 0 HA ASP A 86 1.394 15.373 -9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.881 16.987 -11.374 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.237 17.590 -11.435 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.342 16.820 -8.689 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.041 17.245 -7.482 1.00 0.00 C ATOM 1354 C GLU A 87 -1.921 16.192 -6.384 1.00 0.00 C ATOM 1355 O GLU A 87 -1.763 16.521 -5.208 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.516 17.513 -7.788 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.734 18.554 -8.873 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.131 19.143 -8.845 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.090 18.385 -8.590 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -5.265 20.362 -9.078 1.00 0.00 O ATOM 0 H GLU A 87 -1.911 16.840 -9.535 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.577 18.166 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.991 16.580 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.014 17.842 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.004 19.355 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.555 18.100 -9.848 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.996 14.926 -6.777 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.899 13.824 -5.827 1.00 0.00 C ATOM 1369 C TYR A 88 -0.591 13.892 -5.045 1.00 0.00 C ATOM 1370 O TYR A 88 -0.553 13.607 -3.848 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.001 12.483 -6.556 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.418 12.091 -6.907 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.402 12.017 -5.928 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.774 11.794 -8.217 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.698 11.658 -6.244 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -5.068 11.436 -8.542 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.026 11.369 -7.552 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.316 11.012 -7.872 1.00 0.00 O ATOM 0 H TYR A 88 -2.124 14.637 -7.747 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.727 13.911 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.409 12.530 -7.470 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.562 11.705 -5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.149 12.244 -4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.026 11.844 -8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.450 11.604 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.328 11.210 -9.566 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.379 10.842 -8.835 1.00 0.00 H new ATOM 1388 N LEU A 89 0.481 14.273 -5.732 1.00 0.00 N ATOM 1389 CA LEU A 89 1.794 14.381 -5.103 1.00 0.00 C ATOM 1390 C LEU A 89 1.681 14.986 -3.708 1.00 0.00 C ATOM 1391 O LEU A 89 2.362 14.557 -2.776 1.00 0.00 O ATOM 1392 CB LEU A 89 2.726 15.232 -5.967 1.00 0.00 C ATOM 1393 CG LEU A 89 3.146 14.621 -7.305 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.750 15.683 -8.210 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.130 13.481 -7.085 1.00 0.00 C ATOM 0 H LEU A 89 0.467 14.512 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 89 2.210 13.378 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.236 16.186 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.626 15.449 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 89 2.259 14.219 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.043 15.230 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.014 16.466 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.627 16.116 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.418 13.058 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.016 13.859 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.662 12.709 -6.475 1.00 0.00 H new ATOM 1407 N LYS A 90 0.815 15.984 -3.569 1.00 0.00 N ATOM 1408 CA LYS A 90 0.610 16.647 -2.287 1.00 0.00 C ATOM 1409 C LYS A 90 -0.055 15.705 -1.288 1.00 0.00 C ATOM 1410 O LYS A 90 -0.964 14.946 -1.624 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.247 17.901 -2.469 1.00 0.00 C ATOM 1412 CG LYS A 90 0.513 19.078 -3.057 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.427 20.087 -3.694 1.00 0.00 C ATOM 1414 CE LYS A 90 -0.788 19.692 -5.117 1.00 0.00 C ATOM 1415 NZ LYS A 90 -2.120 20.224 -5.520 1.00 0.00 N ATOM 0 H LYS A 90 0.243 16.352 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 90 1.586 16.935 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.090 17.663 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.660 18.192 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.094 19.565 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.222 18.718 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.335 20.168 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.041 21.071 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.026 20.064 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.790 18.605 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.222 20.158 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.869 19.667 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.200 21.219 -5.227 1.00 0.00 H new ATOM 1429 N PRO A 91 0.406 15.754 -0.029 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.132 14.914 1.044 1.00 0.00 C ATOM 1431 C PRO A 91 -1.547 15.317 1.443 1.00 0.00 C ATOM 1432 O PRO A 91 -1.759 16.378 2.030 1.00 0.00 O ATOM 1433 CB PRO A 91 0.839 15.154 2.203 1.00 0.00 C ATOM 1434 CG PRO A 91 1.419 16.501 1.939 1.00 0.00 C ATOM 1435 CD PRO A 91 1.487 16.636 0.443 1.00 0.00 C ATOM 0 HA PRO A 91 -0.209 13.869 0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.324 15.126 3.163 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.614 14.388 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.799 17.285 2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.409 16.594 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.332 17.667 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.457 16.325 0.055 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.514 14.463 1.120 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.910 14.731 1.446 1.00 0.00 C ATOM 1445 C VAL A 92 -4.090 14.961 2.942 1.00 0.00 C ATOM 1446 O VAL A 92 -4.954 15.731 3.363 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.821 13.571 1.003 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.280 13.906 1.273 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.601 13.253 -0.468 1.00 0.00 C ATOM 0 H VAL A 92 -2.356 13.581 0.633 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.194 15.634 0.906 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.563 12.686 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.909 13.075 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.422 14.080 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.556 14.804 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.253 12.431 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.831 14.133 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.561 12.967 -0.627 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.269 14.290 3.742 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.336 14.422 5.193 1.00 0.00 C ATOM 1461 C LEU A 93 -2.067 15.065 5.741 1.00 0.00 C ATOM 1462 O LEU A 93 -1.199 15.493 4.981 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.548 13.052 5.840 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.388 12.055 5.041 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.499 11.199 4.153 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.211 11.181 5.977 1.00 0.00 C ATOM 0 H LEU A 93 -2.549 13.649 3.410 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.181 15.066 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.571 12.606 6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.022 13.200 6.810 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.072 12.614 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.114 10.496 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.954 11.839 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.790 10.648 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.803 10.477 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.544 10.630 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.876 11.809 6.570 1.00 0.00 H new ATOM 1478 N GLU A 94 -1.965 15.127 7.066 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.800 15.717 7.715 1.00 0.00 C ATOM 1480 C GLU A 94 0.035 14.646 8.412 1.00 0.00 C ATOM 1481 O GLU A 94 -0.500 13.663 8.924 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.235 16.779 8.726 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.091 17.333 9.558 1.00 0.00 C ATOM 1484 CD GLU A 94 0.947 18.051 8.717 1.00 0.00 C ATOM 1485 OE1 GLU A 94 0.583 19.031 8.034 1.00 0.00 O ATOM 1486 OE2 GLU A 94 2.124 17.633 8.743 1.00 0.00 O ATOM 0 H GLU A 94 -2.674 14.776 7.710 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.187 16.188 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.716 17.599 8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.983 16.349 9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.489 18.022 10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.387 16.517 10.101 1.00 0.00 H new ATOM 1493 N ASP A 95 1.348 14.845 8.427 1.00 0.00 N ATOM 1494 CA ASP A 95 2.258 13.898 9.061 1.00 0.00 C ATOM 1495 C ASP A 95 1.991 12.478 8.572 1.00 0.00 C ATOM 1496 O ASP A 95 1.928 11.539 9.366 1.00 0.00 O ATOM 1497 CB ASP A 95 2.115 13.962 10.582 1.00 0.00 C ATOM 1498 CG ASP A 95 3.143 13.106 11.297 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.338 13.198 10.947 1.00 0.00 O ATOM 1500 OD2 ASP A 95 2.751 12.345 12.206 1.00 0.00 O ATOM 0 H ASP A 95 1.806 15.654 8.007 1.00 0.00 H new ATOM 0 HA ASP A 95 3.277 14.172 8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.216 14.996 10.910 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.114 13.635 10.864 1.00 0.00 H new ATOM 1505 N ASP A 96 1.834 12.329 7.261 1.00 0.00 N ATOM 1506 CA ASP A 96 1.574 11.023 6.666 1.00 0.00 C ATOM 1507 C ASP A 96 2.763 10.088 6.867 1.00 0.00 C ATOM 1508 O ASP A 96 3.874 10.373 6.416 1.00 0.00 O ATOM 1509 CB ASP A 96 1.271 11.170 5.174 1.00 0.00 C ATOM 1510 CG ASP A 96 1.982 12.356 4.553 1.00 0.00 C ATOM 1511 OD1 ASP A 96 3.229 12.332 4.486 1.00 0.00 O ATOM 1512 OD2 ASP A 96 1.292 13.310 4.135 1.00 0.00 O ATOM 0 H ASP A 96 1.882 13.096 6.590 1.00 0.00 H new ATOM 0 HA ASP A 96 0.706 10.590 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.568 10.259 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.196 11.281 5.034 1.00 0.00 H new ATOM 1517 N LEU A 97 2.523 8.972 7.546 1.00 0.00 N ATOM 1518 CA LEU A 97 3.574 7.995 7.807 1.00 0.00 C ATOM 1519 C LEU A 97 3.744 7.048 6.624 1.00 0.00 C ATOM 1520 O LEU A 97 4.825 6.500 6.404 1.00 0.00 O ATOM 1521 CB LEU A 97 3.252 7.196 9.072 1.00 0.00 C ATOM 1522 CG LEU A 97 2.774 8.009 10.275 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.224 7.090 11.355 1.00 0.00 C ATOM 1524 CD2 LEU A 97 3.907 8.863 10.826 1.00 0.00 C ATOM 0 H LEU A 97 1.610 8.721 7.926 1.00 0.00 H new ATOM 0 HA LEU A 97 4.509 8.535 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.485 6.461 8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.144 6.642 9.364 1.00 0.00 H new ATOM 0 HG LEU A 97 1.973 8.671 9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.888 7.686 12.204 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.384 6.522 10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.005 6.403 11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.548 9.435 11.682 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.729 8.219 11.138 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.256 9.547 10.053 1.00 0.00 H new ATOM 1536 N LEU A 98 2.671 6.862 5.863 1.00 0.00 N ATOM 1537 CA LEU A 98 2.701 5.983 4.699 1.00 0.00 C ATOM 1538 C LEU A 98 3.552 6.584 3.585 1.00 0.00 C ATOM 1539 O LEU A 98 4.166 5.861 2.799 1.00 0.00 O ATOM 1540 CB LEU A 98 1.281 5.727 4.191 1.00 0.00 C ATOM 1541 CG LEU A 98 0.354 4.970 5.142 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.084 5.039 4.653 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.803 3.523 5.285 1.00 0.00 C ATOM 0 H LEU A 98 1.769 7.308 6.031 1.00 0.00 H new ATOM 0 HA LEU A 98 3.148 5.036 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.822 6.687 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.346 5.168 3.257 1.00 0.00 H new ATOM 0 HG LEU A 98 0.405 5.443 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.729 4.495 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.402 6.080 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.153 4.591 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.132 2.999 5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.782 3.037 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.817 3.494 5.683 1.00 0.00 H new ATOM 1555 N LEU A 99 3.586 7.910 3.524 1.00 0.00 N ATOM 1556 CA LEU A 99 4.364 8.610 2.507 1.00 0.00 C ATOM 1557 C LEU A 99 5.852 8.574 2.840 1.00 0.00 C ATOM 1558 O LEU A 99 6.689 8.366 1.962 1.00 0.00 O ATOM 1559 CB LEU A 99 3.892 10.059 2.383 1.00 0.00 C ATOM 1560 CG LEU A 99 2.707 10.302 1.448 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.470 9.576 1.955 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.434 11.792 1.309 1.00 0.00 C ATOM 0 H LEU A 99 3.084 8.523 4.167 1.00 0.00 H new ATOM 0 HA LEU A 99 4.211 8.103 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.625 10.419 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.730 10.665 2.039 1.00 0.00 H new ATOM 0 HG LEU A 99 2.958 9.906 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.637 9.760 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.670 8.506 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.216 9.941 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.587 11.946 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.204 12.213 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.315 12.287 0.899 1.00 0.00 H new ATOM 1574 N GLN A 100 6.174 8.777 4.114 1.00 0.00 N ATOM 1575 CA GLN A 100 7.561 8.766 4.562 1.00 0.00 C ATOM 1576 C GLN A 100 8.110 7.344 4.600 1.00 0.00 C ATOM 1577 O GLN A 100 9.312 7.135 4.770 1.00 0.00 O ATOM 1578 CB GLN A 100 7.677 9.407 5.946 1.00 0.00 C ATOM 1579 CG GLN A 100 6.796 8.750 6.996 1.00 0.00 C ATOM 1580 CD GLN A 100 7.473 7.574 7.673 1.00 0.00 C ATOM 1581 OE1 GLN A 100 7.741 6.551 7.043 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.753 7.715 8.964 1.00 0.00 N ATOM 0 H GLN A 100 5.493 8.951 4.853 1.00 0.00 H new ATOM 0 HA GLN A 100 8.150 9.344 3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.716 9.359 6.274 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.414 10.462 5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.522 9.489 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.871 8.412 6.529 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.513 8.581 9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.208 6.957 9.473 1.00 0.00 H new ATOM 1591 N PHE A 101 7.222 6.368 4.440 1.00 0.00 N ATOM 1592 CA PHE A 101 7.618 4.964 4.457 1.00 0.00 C ATOM 1593 C PHE A 101 8.752 4.707 3.469 1.00 0.00 C ATOM 1594 O PHE A 101 8.771 5.263 2.371 1.00 0.00 O ATOM 1595 CB PHE A 101 6.422 4.071 4.122 1.00 0.00 C ATOM 1596 CG PHE A 101 6.791 2.632 3.903 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.926 1.767 4.977 1.00 0.00 C ATOM 1598 CD2 PHE A 101 7.003 2.144 2.624 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.266 0.441 4.779 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.342 0.820 2.420 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.475 -0.032 3.499 1.00 0.00 C ATOM 0 H PHE A 101 6.224 6.523 4.297 1.00 0.00 H new ATOM 0 HA PHE A 101 7.972 4.724 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.695 4.132 4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.933 4.453 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.764 2.132 5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.902 2.806 1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.368 -0.223 5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.503 0.452 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.742 -1.067 3.342 1.00 0.00 H new ATOM 1611 N ASP A 102 9.695 3.860 3.868 1.00 0.00 N ATOM 1612 CA ASP A 102 10.833 3.528 3.019 1.00 0.00 C ATOM 1613 C ASP A 102 10.432 2.525 1.941 1.00 0.00 C ATOM 1614 O ASP A 102 10.647 1.322 2.087 1.00 0.00 O ATOM 1615 CB ASP A 102 11.976 2.960 3.861 1.00 0.00 C ATOM 1616 CG ASP A 102 13.338 3.259 3.265 1.00 0.00 C ATOM 1617 OD1 ASP A 102 13.504 3.071 2.041 1.00 0.00 O ATOM 1618 OD2 ASP A 102 14.237 3.680 4.021 1.00 0.00 O ATOM 0 H ASP A 102 9.694 3.391 4.774 1.00 0.00 H new ATOM 0 HA ASP A 102 11.171 4.443 2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.924 3.376 4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.853 1.881 3.955 1.00 0.00 H new ATOM 1623 N VAL A 103 9.846 3.029 0.859 1.00 0.00 N ATOM 1624 CA VAL A 103 9.415 2.178 -0.243 1.00 0.00 C ATOM 1625 C VAL A 103 10.605 1.497 -0.910 1.00 0.00 C ATOM 1626 O VAL A 103 10.477 0.406 -1.464 1.00 0.00 O ATOM 1627 CB VAL A 103 8.638 2.982 -1.302 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.550 3.991 -1.982 1.00 0.00 C ATOM 1629 CG2 VAL A 103 8.008 2.048 -2.324 1.00 0.00 C ATOM 0 H VAL A 103 9.659 4.022 0.723 1.00 0.00 H new ATOM 0 HA VAL A 103 8.757 1.419 0.182 1.00 0.00 H new ATOM 0 HB VAL A 103 7.839 3.529 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.983 4.550 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.949 4.680 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.372 3.467 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.463 2.633 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.789 1.472 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.320 1.369 -1.821 1.00 0.00 H new ATOM 1639 N GLU A 104 11.762 2.149 -0.852 1.00 0.00 N ATOM 1640 CA GLU A 104 12.975 1.606 -1.451 1.00 0.00 C ATOM 1641 C GLU A 104 13.171 0.146 -1.054 1.00 0.00 C ATOM 1642 O GLU A 104 13.504 -0.696 -1.888 1.00 0.00 O ATOM 1643 CB GLU A 104 14.193 2.430 -1.027 1.00 0.00 C ATOM 1644 CG GLU A 104 14.091 3.900 -1.397 1.00 0.00 C ATOM 1645 CD GLU A 104 15.247 4.719 -0.854 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.585 4.550 0.337 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.812 5.528 -1.618 1.00 0.00 O ATOM 0 H GLU A 104 11.885 3.053 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 104 12.870 1.659 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.322 2.344 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.085 2.008 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.060 3.997 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.153 4.303 -1.014 1.00 0.00 H new ATOM 1654 N ASP A 105 12.964 -0.145 0.225 1.00 0.00 N ATOM 1655 CA ASP A 105 13.118 -1.503 0.735 1.00 0.00 C ATOM 1656 C ASP A 105 12.373 -2.502 -0.146 1.00 0.00 C ATOM 1657 O ASP A 105 12.786 -3.654 -0.283 1.00 0.00 O ATOM 1658 CB ASP A 105 12.605 -1.592 2.173 1.00 0.00 C ATOM 1659 CG ASP A 105 12.623 -3.011 2.707 1.00 0.00 C ATOM 1660 OD1 ASP A 105 13.613 -3.729 2.453 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.648 -3.403 3.381 1.00 0.00 O ATOM 0 H ASP A 105 12.689 0.541 0.928 1.00 0.00 H new ATOM 0 HA ASP A 105 14.179 -1.752 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.217 -0.958 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.588 -1.203 2.218 1.00 0.00 H new ATOM 1666 N LEU A 106 11.274 -2.052 -0.742 1.00 0.00 N ATOM 1667 CA LEU A 106 10.471 -2.907 -1.610 1.00 0.00 C ATOM 1668 C LEU A 106 11.257 -3.315 -2.852 1.00 0.00 C ATOM 1669 O LEU A 106 11.180 -4.459 -3.299 1.00 0.00 O ATOM 1670 CB LEU A 106 9.186 -2.185 -2.020 1.00 0.00 C ATOM 1671 CG LEU A 106 8.363 -1.580 -0.882 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.102 -0.926 -1.425 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.013 -2.645 0.147 1.00 0.00 C ATOM 0 H LEU A 106 10.919 -1.101 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 106 10.214 -3.809 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.447 -1.388 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.555 -2.889 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 106 8.963 -0.813 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.529 -0.501 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.374 -0.135 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.498 -1.673 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.427 -2.197 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.431 -3.434 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.929 -3.068 0.559 1.00 0.00 H new ATOM 1685 N TYR A 107 12.015 -2.372 -3.402 1.00 0.00 N ATOM 1686 CA TYR A 107 12.815 -2.634 -4.592 1.00 0.00 C ATOM 1687 C TYR A 107 13.929 -3.632 -4.291 1.00 0.00 C ATOM 1688 O TYR A 107 14.832 -3.352 -3.503 1.00 0.00 O ATOM 1689 CB TYR A 107 13.414 -1.331 -5.126 1.00 0.00 C ATOM 1690 CG TYR A 107 12.408 -0.209 -5.250 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.099 -0.464 -5.639 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.767 1.106 -4.979 1.00 0.00 C ATOM 1693 CE1 TYR A 107 10.177 0.559 -5.755 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.852 2.134 -5.091 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.558 1.855 -5.479 1.00 0.00 C ATOM 1696 OH TYR A 107 9.643 2.877 -5.593 1.00 0.00 O ATOM 0 H TYR A 107 12.092 -1.420 -3.043 1.00 0.00 H new ATOM 0 HA TYR A 107 12.161 -3.064 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.220 -1.014 -4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.859 -1.519 -6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.797 -1.478 -5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.779 1.328 -4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.163 0.344 -6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.148 3.150 -4.876 1.00 0.00 H new ATOM 0 HH TYR A 107 8.893 2.584 -6.152 1.00 0.00 H new ATOM 1706 N GLU A 108 13.856 -4.799 -4.925 1.00 0.00 N ATOM 1707 CA GLU A 108 14.858 -5.839 -4.725 1.00 0.00 C ATOM 1708 C GLU A 108 15.657 -6.078 -6.003 1.00 0.00 C ATOM 1709 O GLU A 108 15.417 -7.029 -6.747 1.00 0.00 O ATOM 1710 CB GLU A 108 14.190 -7.141 -4.278 1.00 0.00 C ATOM 1711 CG GLU A 108 12.973 -7.518 -5.106 1.00 0.00 C ATOM 1712 CD GLU A 108 12.197 -8.676 -4.511 1.00 0.00 C ATOM 1713 OE1 GLU A 108 12.744 -9.799 -4.475 1.00 0.00 O ATOM 1714 OE2 GLU A 108 11.045 -8.461 -4.081 1.00 0.00 O ATOM 0 H GLU A 108 13.115 -5.047 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 108 15.543 -5.503 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.919 -7.950 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.893 -7.047 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.316 -6.653 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.292 -7.780 -6.115 1.00 0.00 H new ATOM 1721 N PRO A 109 16.630 -5.193 -6.265 1.00 0.00 N ATOM 1722 CA PRO A 109 17.485 -5.286 -7.453 1.00 0.00 C ATOM 1723 C PRO A 109 18.444 -6.470 -7.386 1.00 0.00 C ATOM 1724 O PRO A 109 18.690 -7.023 -6.314 1.00 0.00 O ATOM 1725 CB PRO A 109 18.262 -3.967 -7.434 1.00 0.00 C ATOM 1726 CG PRO A 109 18.273 -3.554 -6.003 1.00 0.00 C ATOM 1727 CD PRO A 109 16.972 -4.035 -5.423 1.00 0.00 C ATOM 0 HA PRO A 109 16.904 -5.442 -8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.274 -4.099 -7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 109 17.781 -3.215 -8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 109 19.121 -3.993 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.365 -2.472 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 109 17.079 -4.317 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.203 -3.264 -5.468 1.00 0.00 H new ATOM 1735 N VAL A 110 18.984 -6.854 -8.539 1.00 0.00 N ATOM 1736 CA VAL A 110 19.917 -7.971 -8.611 1.00 0.00 C ATOM 1737 C VAL A 110 21.348 -7.481 -8.800 1.00 0.00 C ATOM 1738 O VAL A 110 21.891 -7.529 -9.904 1.00 0.00 O ATOM 1739 CB VAL A 110 19.558 -8.930 -9.762 1.00 0.00 C ATOM 1740 CG1 VAL A 110 20.530 -10.099 -9.807 1.00 0.00 C ATOM 1741 CG2 VAL A 110 18.126 -9.421 -9.618 1.00 0.00 C ATOM 0 H VAL A 110 18.791 -6.407 -9.435 1.00 0.00 H new ATOM 0 HA VAL A 110 19.842 -8.507 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 110 19.639 -8.386 -10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 110 20.260 -10.765 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 110 21.542 -9.725 -9.962 1.00 0.00 H new ATOM 0 HG13 VAL A 110 20.485 -10.646 -8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 110 17.889 -10.097 -10.439 1.00 0.00 H new ATOM 0 HG22 VAL A 110 18.016 -9.948 -8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 110 17.445 -8.570 -9.641 1.00 0.00 H new ATOM 1751 N SER A 111 21.954 -7.008 -7.716 1.00 0.00 N ATOM 1752 CA SER A 111 23.322 -6.505 -7.763 1.00 0.00 C ATOM 1753 C SER A 111 23.820 -6.152 -6.364 1.00 0.00 C ATOM 1754 O SER A 111 23.040 -5.763 -5.495 1.00 0.00 O ATOM 1755 CB SER A 111 23.405 -5.277 -8.671 1.00 0.00 C ATOM 1756 OG SER A 111 24.671 -4.649 -8.565 1.00 0.00 O ATOM 0 H SER A 111 21.519 -6.962 -6.794 1.00 0.00 H new ATOM 0 HA SER A 111 23.958 -7.292 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 111 23.228 -5.573 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 111 22.621 -4.569 -8.403 1.00 0.00 H new ATOM 0 HG SER A 111 24.699 -3.868 -9.156 1.00 0.00 H new ATOM 1762 N THR A 112 25.125 -6.291 -6.155 1.00 0.00 N ATOM 1763 CA THR A 112 25.728 -5.989 -4.863 1.00 0.00 C ATOM 1764 C THR A 112 26.625 -4.759 -4.949 1.00 0.00 C ATOM 1765 O THR A 112 27.712 -4.793 -5.525 1.00 0.00 O ATOM 1766 CB THR A 112 26.555 -7.177 -4.337 1.00 0.00 C ATOM 1767 OG1 THR A 112 27.441 -7.648 -5.359 1.00 0.00 O ATOM 1768 CG2 THR A 112 25.646 -8.310 -3.884 1.00 0.00 C ATOM 0 H THR A 112 25.785 -6.611 -6.864 1.00 0.00 H new ATOM 0 HA THR A 112 24.909 -5.791 -4.171 1.00 0.00 H new ATOM 0 HB THR A 112 27.138 -6.836 -3.481 1.00 0.00 H new ATOM 0 HG1 THR A 112 27.877 -6.884 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 112 26.252 -9.138 -3.517 1.00 0.00 H new ATOM 0 HG22 THR A 112 24.993 -7.956 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 112 25.040 -8.649 -4.725 1.00 0.00 H new ATOM 1776 N PRO A 113 26.162 -3.645 -4.363 1.00 0.00 N ATOM 1777 CA PRO A 113 26.908 -2.384 -4.359 1.00 0.00 C ATOM 1778 C PRO A 113 28.151 -2.448 -3.478 1.00 0.00 C ATOM 1779 O PRO A 113 29.245 -2.076 -3.903 1.00 0.00 O ATOM 1780 CB PRO A 113 25.902 -1.378 -3.792 1.00 0.00 C ATOM 1781 CG PRO A 113 24.969 -2.199 -2.970 1.00 0.00 C ATOM 1782 CD PRO A 113 24.874 -3.532 -3.658 1.00 0.00 C ATOM 0 HA PRO A 113 27.277 -2.126 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 113 26.399 -0.619 -3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 113 25.373 -0.855 -4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 113 25.342 -2.311 -1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 113 23.990 -1.725 -2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 113 24.734 -4.344 -2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 113 24.033 -3.568 -4.350 1.00 0.00 H new ATOM 1790 N PHE A 114 27.975 -2.921 -2.249 1.00 0.00 N ATOM 1791 CA PHE A 114 29.083 -3.034 -1.308 1.00 0.00 C ATOM 1792 C PHE A 114 28.838 -4.163 -0.311 1.00 0.00 C ATOM 1793 O PHE A 114 27.694 -4.491 0.003 1.00 0.00 O ATOM 1794 CB PHE A 114 29.281 -1.713 -0.560 1.00 0.00 C ATOM 1795 CG PHE A 114 28.014 -1.160 0.025 1.00 0.00 C ATOM 1796 CD1 PHE A 114 27.491 -1.682 1.197 1.00 0.00 C ATOM 1797 CD2 PHE A 114 27.345 -0.118 -0.597 1.00 0.00 C ATOM 1798 CE1 PHE A 114 26.325 -1.174 1.739 1.00 0.00 C ATOM 1799 CE2 PHE A 114 26.178 0.393 -0.060 1.00 0.00 C ATOM 1800 CZ PHE A 114 25.667 -0.136 1.109 1.00 0.00 C ATOM 0 H PHE A 114 27.076 -3.232 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 114 29.986 -3.263 -1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 114 30.006 -1.863 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 114 29.707 -0.978 -1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 114 28.000 -2.495 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 114 27.740 0.300 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 114 25.929 -1.589 2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 114 25.666 1.205 -0.554 1.00 0.00 H new ATOM 0 HZ PHE A 114 24.755 0.261 1.529 1.00 0.00 H new ATOM 1810 N SER A 115 29.922 -4.755 0.181 1.00 0.00 N ATOM 1811 CA SER A 115 29.825 -5.851 1.138 1.00 0.00 C ATOM 1812 C SER A 115 29.736 -5.319 2.566 1.00 0.00 C ATOM 1813 O SER A 115 30.734 -5.269 3.285 1.00 0.00 O ATOM 1814 CB SER A 115 31.032 -6.782 1.003 1.00 0.00 C ATOM 1815 OG SER A 115 31.101 -7.689 2.090 1.00 0.00 O ATOM 0 H SER A 115 30.876 -4.494 -0.067 1.00 0.00 H new ATOM 0 HA SER A 115 28.916 -6.412 0.920 1.00 0.00 H new ATOM 0 HB2 SER A 115 30.965 -7.336 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 115 31.947 -6.192 0.959 1.00 0.00 H new ATOM 0 HG SER A 115 31.880 -8.274 1.979 1.00 0.00 H new ATOM 1821 N SER A 116 28.533 -4.924 2.969 1.00 0.00 N ATOM 1822 CA SER A 116 28.312 -4.392 4.309 1.00 0.00 C ATOM 1823 C SER A 116 26.982 -4.880 4.875 1.00 0.00 C ATOM 1824 O SER A 116 26.125 -5.370 4.141 1.00 0.00 O ATOM 1825 CB SER A 116 28.339 -2.863 4.284 1.00 0.00 C ATOM 1826 OG SER A 116 28.530 -2.335 5.585 1.00 0.00 O ATOM 0 H SER A 116 27.696 -4.962 2.387 1.00 0.00 H new ATOM 0 HA SER A 116 29.114 -4.752 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 116 29.140 -2.521 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 116 27.404 -2.486 3.869 1.00 0.00 H new ATOM 0 HG SER A 116 28.545 -1.356 5.542 1.00 0.00 H new ATOM 1832 N GLY A 117 26.818 -4.741 6.187 1.00 0.00 N ATOM 1833 CA GLY A 117 25.590 -5.172 6.830 1.00 0.00 C ATOM 1834 C GLY A 117 25.688 -5.145 8.343 1.00 0.00 C ATOM 1835 O GLY A 117 25.824 -6.179 8.996 1.00 0.00 O ATOM 0 H GLY A 117 27.513 -4.338 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.771 -4.528 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.347 -6.183 6.503 1.00 0.00 H new ATOM 1839 N PRO A 118 25.620 -3.937 8.922 1.00 0.00 N ATOM 1840 CA PRO A 118 25.701 -3.750 10.374 1.00 0.00 C ATOM 1841 C PRO A 118 24.464 -4.275 11.096 1.00 0.00 C ATOM 1842 O PRO A 118 23.353 -4.210 10.571 1.00 0.00 O ATOM 1843 CB PRO A 118 25.808 -2.231 10.531 1.00 0.00 C ATOM 1844 CG PRO A 118 25.166 -1.678 9.305 1.00 0.00 C ATOM 1845 CD PRO A 118 25.458 -2.661 8.205 1.00 0.00 C ATOM 0 HA PRO A 118 26.537 -4.297 10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 118 25.300 -1.889 11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 118 26.848 -1.913 10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 118 24.092 -1.559 9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 118 25.567 -0.693 9.065 1.00 0.00 H new ATOM 0 HD2 PRO A 118 24.644 -2.707 7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 118 26.360 -2.392 7.655 1.00 0.00 H new ATOM 1853 N SER A 119 24.665 -4.794 12.303 1.00 0.00 N ATOM 1854 CA SER A 119 23.566 -5.333 13.095 1.00 0.00 C ATOM 1855 C SER A 119 23.512 -4.672 14.469 1.00 0.00 C ATOM 1856 O SER A 119 24.514 -4.614 15.182 1.00 0.00 O ATOM 1857 CB SER A 119 23.716 -6.848 13.251 1.00 0.00 C ATOM 1858 OG SER A 119 24.882 -7.171 13.990 1.00 0.00 O ATOM 0 H SER A 119 25.578 -4.853 12.754 1.00 0.00 H new ATOM 0 HA SER A 119 22.634 -5.120 12.571 1.00 0.00 H new ATOM 0 HB2 SER A 119 22.838 -7.254 13.754 1.00 0.00 H new ATOM 0 HB3 SER A 119 23.764 -7.315 12.267 1.00 0.00 H new ATOM 0 HG SER A 119 25.185 -6.381 14.484 1.00 0.00 H new ATOM 1864 N SER A 120 22.335 -4.175 14.834 1.00 0.00 N ATOM 1865 CA SER A 120 22.149 -3.515 16.121 1.00 0.00 C ATOM 1866 C SER A 120 21.248 -4.343 17.032 1.00 0.00 C ATOM 1867 O SER A 120 20.029 -4.175 17.037 1.00 0.00 O ATOM 1868 CB SER A 120 21.550 -2.122 15.921 1.00 0.00 C ATOM 1869 OG SER A 120 21.550 -1.388 17.133 1.00 0.00 O ATOM 0 H SER A 120 21.495 -4.217 14.256 1.00 0.00 H new ATOM 0 HA SER A 120 23.125 -3.418 16.596 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.121 -1.582 15.165 1.00 0.00 H new ATOM 0 HB3 SER A 120 20.530 -2.212 15.546 1.00 0.00 H new ATOM 0 HG SER A 120 21.164 -0.501 16.978 1.00 0.00 H new ATOM 1875 N GLY A 121 21.858 -5.238 17.802 1.00 0.00 N ATOM 1876 CA GLY A 121 21.097 -6.080 18.707 1.00 0.00 C ATOM 1877 C GLY A 121 21.778 -6.251 20.051 1.00 0.00 C ATOM 1878 O GLY A 121 22.885 -5.746 20.230 1.00 0.00 O ATOM 0 H GLY A 121 22.866 -5.395 17.816 1.00 0.00 H new ATOM 0 HA2 GLY A 121 20.108 -5.646 18.857 1.00 0.00 H new ATOM 0 HA3 GLY A 121 20.950 -7.059 18.251 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.475 -0.381 6.667 1.00 0.00 ZN