USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 TYR OH : rot 171:sc= 0.755 USER MOD Set 1.2: A 95 TYR OH : rot 153:sc= 1.15 USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= -0.0851 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0391 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 9 THR OG1 : rot 23:sc= 0.682 USER MOD Single : A 14 GLN : amide:sc= -3.68! C(o=-3.7!,f=-6.3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.115 (180deg=-0.512) USER MOD Single : A 20 SER OG : rot 68:sc= 0.272 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0958 K(o=-0.096,f=-0.88) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.37 K(o=-1.4,f=-3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 11:sc= 0.465 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.155 K(o=-0.16,f=-2.3!) USER MOD Single : A 71 THR OG1 : rot 57:sc= 0.673 USER MOD Single : A 76 GLN : amide:sc= -0.73 K(o=-0.73,f=-4.3!) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.235) USER MOD Single : A 84 SER OG : rot 180:sc=-0.00107 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 30:sc= 0.583 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.18! C(o=-6.2!,f=-7.4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0695 K(o=-0.07,f=-1.1) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-1.6!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 18:sc= 0.728 USER MOD Single : A 114 TYR OH : rot 0:sc= -0.0842 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.960 6.587 -4.954 1.00 0.00 N ATOM 2 CA GLY A 1 26.658 7.996 -4.783 1.00 0.00 C ATOM 3 C GLY A 1 25.280 8.361 -5.297 1.00 0.00 C ATOM 4 O GLY A 1 24.752 7.706 -6.196 1.00 0.00 O ATOM 0 H1 GLY A 1 26.960 6.117 -4.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.240 6.149 -5.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.897 6.484 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.728 8.254 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.407 8.591 -5.306 1.00 0.00 H new ATOM 8 N SER A 2 24.695 9.408 -4.725 1.00 0.00 N ATOM 9 CA SER A 2 23.367 9.855 -5.128 1.00 0.00 C ATOM 10 C SER A 2 23.061 11.235 -4.553 1.00 0.00 C ATOM 11 O SER A 2 23.327 11.505 -3.382 1.00 0.00 O ATOM 12 CB SER A 2 22.306 8.853 -4.669 1.00 0.00 C ATOM 13 OG SER A 2 21.095 9.028 -5.383 1.00 0.00 O ATOM 0 H SER A 2 25.119 9.962 -3.981 1.00 0.00 H new ATOM 0 HA SER A 2 23.348 9.920 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.674 7.837 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.123 8.976 -3.601 1.00 0.00 H new ATOM 0 HG SER A 2 20.434 8.374 -5.072 1.00 0.00 H new ATOM 19 N SER A 3 22.500 12.106 -5.387 1.00 0.00 N ATOM 20 CA SER A 3 22.161 13.460 -4.964 1.00 0.00 C ATOM 21 C SER A 3 21.272 13.435 -3.725 1.00 0.00 C ATOM 22 O SER A 3 20.404 12.574 -3.587 1.00 0.00 O ATOM 23 CB SER A 3 21.457 14.209 -6.097 1.00 0.00 C ATOM 24 OG SER A 3 20.126 13.749 -6.263 1.00 0.00 O ATOM 0 H SER A 3 22.271 11.898 -6.359 1.00 0.00 H new ATOM 0 HA SER A 3 23.086 13.980 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.452 15.278 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.011 14.073 -7.026 1.00 0.00 H new ATOM 0 HG SER A 3 19.697 14.244 -6.992 1.00 0.00 H new ATOM 30 N GLY A 4 21.495 14.388 -2.825 1.00 0.00 N ATOM 31 CA GLY A 4 20.707 14.459 -1.609 1.00 0.00 C ATOM 32 C GLY A 4 20.877 15.779 -0.884 1.00 0.00 C ATOM 33 O GLY A 4 19.947 16.584 -0.819 1.00 0.00 O ATOM 0 H GLY A 4 22.208 15.112 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.654 14.315 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.995 13.644 -0.945 1.00 0.00 H new ATOM 37 N SER A 5 22.067 16.002 -0.335 1.00 0.00 N ATOM 38 CA SER A 5 22.354 17.232 0.394 1.00 0.00 C ATOM 39 C SER A 5 22.372 18.431 -0.549 1.00 0.00 C ATOM 40 O SER A 5 23.200 18.508 -1.457 1.00 0.00 O ATOM 41 CB SER A 5 23.696 17.119 1.119 1.00 0.00 C ATOM 42 OG SER A 5 23.658 16.102 2.106 1.00 0.00 O ATOM 0 H SER A 5 22.848 15.347 -0.381 1.00 0.00 H new ATOM 0 HA SER A 5 21.563 17.382 1.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.485 16.902 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.943 18.073 1.585 1.00 0.00 H new ATOM 0 HG SER A 5 24.528 16.048 2.554 1.00 0.00 H new ATOM 48 N SER A 6 21.453 19.365 -0.327 1.00 0.00 N ATOM 49 CA SER A 6 21.360 20.560 -1.158 1.00 0.00 C ATOM 50 C SER A 6 20.863 21.751 -0.344 1.00 0.00 C ATOM 51 O SER A 6 19.742 21.747 0.161 1.00 0.00 O ATOM 52 CB SER A 6 20.424 20.311 -2.342 1.00 0.00 C ATOM 53 OG SER A 6 20.810 19.153 -3.063 1.00 0.00 O ATOM 0 H SER A 6 20.762 19.317 0.422 1.00 0.00 H new ATOM 0 HA SER A 6 22.357 20.790 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.401 20.196 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.433 21.176 -3.005 1.00 0.00 H new ATOM 0 HG SER A 6 20.195 19.015 -3.814 1.00 0.00 H new ATOM 59 N GLY A 7 21.708 22.770 -0.223 1.00 0.00 N ATOM 60 CA GLY A 7 21.339 23.954 0.531 1.00 0.00 C ATOM 61 C GLY A 7 20.171 24.695 -0.090 1.00 0.00 C ATOM 62 O GLY A 7 20.361 25.573 -0.930 1.00 0.00 O ATOM 0 H GLY A 7 22.641 22.797 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.082 23.667 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.197 24.623 0.595 1.00 0.00 H new ATOM 66 N GLU A 8 18.959 24.338 0.324 1.00 0.00 N ATOM 67 CA GLU A 8 17.756 24.974 -0.199 1.00 0.00 C ATOM 68 C GLU A 8 17.461 26.275 0.543 1.00 0.00 C ATOM 69 O GLU A 8 17.442 27.352 -0.053 1.00 0.00 O ATOM 70 CB GLU A 8 16.560 24.026 -0.085 1.00 0.00 C ATOM 71 CG GLU A 8 16.455 23.037 -1.233 1.00 0.00 C ATOM 72 CD GLU A 8 15.930 23.672 -2.505 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.590 24.600 -3.020 1.00 0.00 O ATOM 74 OE2 GLU A 8 14.861 23.243 -2.986 1.00 0.00 O ATOM 0 H GLU A 8 18.785 23.612 1.019 1.00 0.00 H new ATOM 0 HA GLU A 8 17.927 25.207 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.632 23.475 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.644 24.615 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.437 22.605 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.797 22.218 -0.942 1.00 0.00 H new ATOM 81 N THR A 9 17.231 26.166 1.847 1.00 0.00 N ATOM 82 CA THR A 9 16.935 27.331 2.671 1.00 0.00 C ATOM 83 C THR A 9 15.951 28.263 1.973 1.00 0.00 C ATOM 84 O THR A 9 16.088 29.484 2.033 1.00 0.00 O ATOM 85 CB THR A 9 18.215 28.117 3.012 1.00 0.00 C ATOM 86 OG1 THR A 9 18.912 28.465 1.810 1.00 0.00 O ATOM 87 CG2 THR A 9 19.128 27.300 3.915 1.00 0.00 C ATOM 0 H THR A 9 17.244 25.282 2.356 1.00 0.00 H new ATOM 0 HA THR A 9 16.488 26.960 3.593 1.00 0.00 H new ATOM 0 HB THR A 9 17.926 29.026 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.286 28.459 1.056 1.00 0.00 H new ATOM 0 HG21 THR A 9 20.025 27.876 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.605 27.062 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 9 19.408 26.376 3.409 1.00 0.00 H new ATOM 95 N GLY A 10 14.957 27.678 1.311 1.00 0.00 N ATOM 96 CA GLY A 10 13.964 28.471 0.612 1.00 0.00 C ATOM 97 C GLY A 10 12.559 28.226 1.125 1.00 0.00 C ATOM 98 O GLY A 10 12.025 29.019 1.899 1.00 0.00 O ATOM 0 H GLY A 10 14.822 26.669 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.207 29.528 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.004 28.241 -0.453 1.00 0.00 H new ATOM 102 N GLY A 11 11.956 27.122 0.692 1.00 0.00 N ATOM 103 CA GLY A 11 10.609 26.795 1.121 1.00 0.00 C ATOM 104 C GLY A 11 9.737 26.316 -0.022 1.00 0.00 C ATOM 105 O GLY A 11 8.916 27.071 -0.542 1.00 0.00 O ATOM 0 H GLY A 11 12.377 26.449 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.653 26.023 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.153 27.673 1.578 1.00 0.00 H new ATOM 109 N GLU A 12 9.915 25.058 -0.413 1.00 0.00 N ATOM 110 CA GLU A 12 9.138 24.481 -1.504 1.00 0.00 C ATOM 111 C GLU A 12 7.762 24.037 -1.016 1.00 0.00 C ATOM 112 O GLU A 12 7.454 24.127 0.172 1.00 0.00 O ATOM 113 CB GLU A 12 9.882 23.293 -2.117 1.00 0.00 C ATOM 114 CG GLU A 12 10.943 23.695 -3.129 1.00 0.00 C ATOM 115 CD GLU A 12 11.523 22.507 -3.870 1.00 0.00 C ATOM 116 OE1 GLU A 12 10.836 21.466 -3.951 1.00 0.00 O ATOM 117 OE2 GLU A 12 12.663 22.616 -4.367 1.00 0.00 O ATOM 0 H GLU A 12 10.589 24.420 0.009 1.00 0.00 H new ATOM 0 HA GLU A 12 9.004 25.249 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.352 22.719 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.161 22.634 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.509 24.390 -3.848 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.745 24.226 -2.617 1.00 0.00 H new ATOM 124 N ARG A 13 6.939 23.557 -1.943 1.00 0.00 N ATOM 125 CA ARG A 13 5.595 23.100 -1.609 1.00 0.00 C ATOM 126 C ARG A 13 5.634 22.088 -0.467 1.00 0.00 C ATOM 127 O ARG A 13 6.704 21.747 0.036 1.00 0.00 O ATOM 128 CB ARG A 13 4.926 22.477 -2.835 1.00 0.00 C ATOM 129 CG ARG A 13 5.598 21.200 -3.313 1.00 0.00 C ATOM 130 CD ARG A 13 5.145 20.824 -4.715 1.00 0.00 C ATOM 131 NE ARG A 13 5.960 21.463 -5.744 1.00 0.00 N ATOM 132 CZ ARG A 13 7.133 20.990 -6.151 1.00 0.00 C ATOM 133 NH1 ARG A 13 7.625 19.880 -5.619 1.00 0.00 N ATOM 134 NH2 ARG A 13 7.817 21.628 -7.092 1.00 0.00 N ATOM 0 H ARG A 13 7.179 23.475 -2.931 1.00 0.00 H new ATOM 0 HA ARG A 13 5.013 23.964 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.883 22.263 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.927 23.204 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.680 21.331 -3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.368 20.387 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.195 19.742 -4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.102 21.112 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 13 5.610 22.319 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.103 19.386 -4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.526 19.519 -5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.442 22.483 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.717 21.264 -7.404 1.00 0.00 H new ATOM 148 N GLN A 14 4.460 21.612 -0.065 1.00 0.00 N ATOM 149 CA GLN A 14 4.360 20.641 1.017 1.00 0.00 C ATOM 150 C GLN A 14 3.597 19.400 0.566 1.00 0.00 C ATOM 151 O GLN A 14 2.439 19.485 0.153 1.00 0.00 O ATOM 152 CB GLN A 14 3.668 21.266 2.230 1.00 0.00 C ATOM 153 CG GLN A 14 4.305 22.567 2.689 1.00 0.00 C ATOM 154 CD GLN A 14 4.129 23.690 1.685 1.00 0.00 C ATOM 155 OE1 GLN A 14 3.285 23.612 0.792 1.00 0.00 O ATOM 156 NE2 GLN A 14 4.927 24.742 1.827 1.00 0.00 N ATOM 0 H GLN A 14 3.565 21.883 -0.473 1.00 0.00 H new ATOM 0 HA GLN A 14 5.370 20.343 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.622 21.449 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.683 20.553 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.867 22.865 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.369 22.404 2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.612 24.764 2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.854 25.528 1.181 1.00 0.00 H new ATOM 165 N LEU A 15 4.252 18.247 0.646 1.00 0.00 N ATOM 166 CA LEU A 15 3.635 16.987 0.246 1.00 0.00 C ATOM 167 C LEU A 15 2.608 16.531 1.278 1.00 0.00 C ATOM 168 O LEU A 15 2.924 16.384 2.459 1.00 0.00 O ATOM 169 CB LEU A 15 4.704 15.909 0.062 1.00 0.00 C ATOM 170 CG LEU A 15 4.228 14.461 0.191 1.00 0.00 C ATOM 171 CD1 LEU A 15 3.040 14.207 -0.725 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.362 13.496 -0.122 1.00 0.00 C ATOM 0 H LEU A 15 5.210 18.158 0.984 1.00 0.00 H new ATOM 0 HA LEU A 15 3.122 17.147 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.154 16.036 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.492 16.078 0.796 1.00 0.00 H new ATOM 0 HG LEU A 15 3.910 14.293 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.715 13.172 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.222 14.874 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.331 14.393 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.005 12.471 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.712 13.664 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.183 13.661 0.575 1.00 0.00 H new ATOM 184 N SER A 16 1.380 16.305 0.823 1.00 0.00 N ATOM 185 CA SER A 16 0.306 15.867 1.707 1.00 0.00 C ATOM 186 C SER A 16 -0.215 14.495 1.290 1.00 0.00 C ATOM 187 O SER A 16 -0.606 14.273 0.144 1.00 0.00 O ATOM 188 CB SER A 16 -0.837 16.884 1.699 1.00 0.00 C ATOM 189 OG SER A 16 -1.688 16.703 2.817 1.00 0.00 O ATOM 0 H SER A 16 1.104 16.418 -0.152 1.00 0.00 H new ATOM 0 HA SER A 16 0.708 15.792 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.429 17.895 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.413 16.781 0.779 1.00 0.00 H new ATOM 0 HG SER A 16 -2.409 17.366 2.790 1.00 0.00 H new ATOM 195 N PRO A 17 -0.220 13.551 2.243 1.00 0.00 N ATOM 196 CA PRO A 17 -0.691 12.184 1.999 1.00 0.00 C ATOM 197 C PRO A 17 -2.200 12.119 1.789 1.00 0.00 C ATOM 198 O PRO A 17 -2.675 11.520 0.825 1.00 0.00 O ATOM 199 CB PRO A 17 -0.297 11.440 3.278 1.00 0.00 C ATOM 200 CG PRO A 17 -0.235 12.496 4.327 1.00 0.00 C ATOM 201 CD PRO A 17 0.232 13.745 3.631 1.00 0.00 C ATOM 0 HA PRO A 17 -0.260 11.760 1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.029 10.673 3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.664 10.938 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.212 12.647 4.786 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.452 12.214 5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.205 14.640 4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.315 13.857 3.689 1.00 0.00 H new ATOM 209 N GLU A 18 -2.946 12.740 2.697 1.00 0.00 N ATOM 210 CA GLU A 18 -4.402 12.751 2.609 1.00 0.00 C ATOM 211 C GLU A 18 -4.860 13.187 1.220 1.00 0.00 C ATOM 212 O GLU A 18 -5.777 12.602 0.644 1.00 0.00 O ATOM 213 CB GLU A 18 -4.992 13.684 3.669 1.00 0.00 C ATOM 214 CG GLU A 18 -4.285 15.026 3.759 1.00 0.00 C ATOM 215 CD GLU A 18 -4.948 15.970 4.744 1.00 0.00 C ATOM 216 OE1 GLU A 18 -6.192 15.940 4.847 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.223 16.737 5.411 1.00 0.00 O ATOM 0 H GLU A 18 -2.567 13.241 3.501 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.759 11.737 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.046 13.852 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.945 13.192 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.248 14.867 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.267 15.490 2.773 1.00 0.00 H new ATOM 224 N LYS A 19 -4.215 14.220 0.688 1.00 0.00 N ATOM 225 CA LYS A 19 -4.554 14.736 -0.633 1.00 0.00 C ATOM 226 C LYS A 19 -4.286 13.690 -1.711 1.00 0.00 C ATOM 227 O LYS A 19 -5.117 13.465 -2.590 1.00 0.00 O ATOM 228 CB LYS A 19 -3.751 16.005 -0.928 1.00 0.00 C ATOM 229 CG LYS A 19 -4.449 17.281 -0.493 1.00 0.00 C ATOM 230 CD LYS A 19 -5.224 17.912 -1.639 1.00 0.00 C ATOM 231 CE LYS A 19 -6.616 17.312 -1.767 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.471 17.637 -0.592 1.00 0.00 N ATOM 0 H LYS A 19 -3.454 14.716 1.152 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.617 14.976 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.786 15.939 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.550 16.057 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.129 17.062 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.711 17.990 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.303 18.987 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.678 17.769 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.090 17.685 -2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.537 16.230 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.473 17.585 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.285 16.956 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.253 18.598 -0.259 1.00 0.00 H new ATOM 246 N SER A 20 -3.122 13.053 -1.635 1.00 0.00 N ATOM 247 CA SER A 20 -2.744 12.032 -2.605 1.00 0.00 C ATOM 248 C SER A 20 -3.946 11.172 -2.984 1.00 0.00 C ATOM 249 O SER A 20 -4.820 10.911 -2.158 1.00 0.00 O ATOM 250 CB SER A 20 -1.628 11.151 -2.042 1.00 0.00 C ATOM 251 OG SER A 20 -0.466 11.913 -1.766 1.00 0.00 O ATOM 0 H SER A 20 -2.424 13.226 -0.911 1.00 0.00 H new ATOM 0 HA SER A 20 -2.382 12.534 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.971 10.663 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.388 10.362 -2.755 1.00 0.00 H new ATOM 0 HG SER A 20 -0.645 12.525 -1.022 1.00 0.00 H new ATOM 257 N GLU A 21 -3.981 10.734 -4.238 1.00 0.00 N ATOM 258 CA GLU A 21 -5.075 9.903 -4.727 1.00 0.00 C ATOM 259 C GLU A 21 -4.563 8.538 -5.176 1.00 0.00 C ATOM 260 O GLU A 21 -3.721 8.442 -6.069 1.00 0.00 O ATOM 261 CB GLU A 21 -5.794 10.597 -5.886 1.00 0.00 C ATOM 262 CG GLU A 21 -5.970 12.093 -5.684 1.00 0.00 C ATOM 263 CD GLU A 21 -7.137 12.654 -6.473 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.295 12.420 -6.068 1.00 0.00 O ATOM 265 OE2 GLU A 21 -6.893 13.328 -7.496 1.00 0.00 O ATOM 0 H GLU A 21 -3.265 10.941 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.779 9.756 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.233 10.426 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.774 10.139 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.121 12.298 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.055 12.606 -5.981 1.00 0.00 H new ATOM 272 N ILE A 22 -5.077 7.485 -4.550 1.00 0.00 N ATOM 273 CA ILE A 22 -4.673 6.125 -4.885 1.00 0.00 C ATOM 274 C ILE A 22 -5.749 5.417 -5.701 1.00 0.00 C ATOM 275 O ILE A 22 -6.870 5.221 -5.231 1.00 0.00 O ATOM 276 CB ILE A 22 -4.376 5.298 -3.621 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.188 5.894 -2.862 1.00 0.00 C ATOM 278 CG2 ILE A 22 -4.103 3.847 -3.988 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.803 5.107 -1.629 1.00 0.00 C ATOM 0 H ILE A 22 -5.774 7.547 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.763 6.204 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.251 5.329 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.330 5.948 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.429 6.916 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.895 3.276 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.976 3.428 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.243 3.796 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.954 5.587 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.647 5.075 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.530 4.092 -1.916 1.00 0.00 H new ATOM 291 N TRP A 23 -5.400 5.034 -6.924 1.00 0.00 N ATOM 292 CA TRP A 23 -6.337 4.345 -7.805 1.00 0.00 C ATOM 293 C TRP A 23 -5.788 2.986 -8.227 1.00 0.00 C ATOM 294 O TRP A 23 -4.587 2.737 -8.140 1.00 0.00 O ATOM 295 CB TRP A 23 -6.627 5.198 -9.042 1.00 0.00 C ATOM 296 CG TRP A 23 -5.463 5.296 -9.982 1.00 0.00 C ATOM 297 CD1 TRP A 23 -5.114 4.400 -10.951 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.495 6.350 -10.039 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.987 4.832 -11.608 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.589 6.026 -11.068 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.307 7.535 -9.324 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.512 6.846 -11.396 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.237 8.347 -9.650 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.351 8.000 -10.679 1.00 0.00 C ATOM 0 H TRP A 23 -4.476 5.188 -7.328 1.00 0.00 H new ATOM 0 HA TRP A 23 -7.265 4.187 -7.256 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.480 4.776 -9.574 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.914 6.200 -8.724 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.646 3.486 -11.169 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.523 4.343 -12.373 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.985 7.812 -8.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.828 6.580 -12.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.081 9.265 -9.102 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.525 8.656 -10.910 1.00 0.00 H new ATOM 315 N GLY A 24 -6.677 2.110 -8.684 1.00 0.00 N ATOM 316 CA GLY A 24 -6.262 0.787 -9.113 1.00 0.00 C ATOM 317 C GLY A 24 -7.393 -0.221 -9.060 1.00 0.00 C ATOM 318 O GLY A 24 -8.144 -0.293 -8.087 1.00 0.00 O ATOM 0 H GLY A 24 -7.677 2.293 -8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.877 0.843 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.443 0.444 -8.481 1.00 0.00 H new ATOM 322 N PRO A 25 -7.528 -1.022 -10.127 1.00 0.00 N ATOM 323 CA PRO A 25 -8.574 -2.044 -10.223 1.00 0.00 C ATOM 324 C PRO A 25 -8.342 -3.203 -9.260 1.00 0.00 C ATOM 325 O PRO A 25 -9.111 -4.163 -9.231 1.00 0.00 O ATOM 326 CB PRO A 25 -8.469 -2.524 -11.673 1.00 0.00 C ATOM 327 CG PRO A 25 -7.061 -2.239 -12.065 1.00 0.00 C ATOM 328 CD PRO A 25 -6.669 -0.991 -11.323 1.00 0.00 C ATOM 0 HA PRO A 25 -9.555 -1.649 -9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.696 -3.587 -11.756 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.174 -1.997 -12.316 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.407 -3.071 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.977 -2.095 -13.142 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.612 -0.996 -11.059 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.844 -0.096 -11.921 1.00 0.00 H new ATOM 336 N GLY A 26 -7.275 -3.108 -8.472 1.00 0.00 N ATOM 337 CA GLY A 26 -6.960 -4.155 -7.518 1.00 0.00 C ATOM 338 C GLY A 26 -8.020 -4.297 -6.443 1.00 0.00 C ATOM 339 O GLY A 26 -8.317 -5.406 -5.997 1.00 0.00 O ATOM 0 H GLY A 26 -6.623 -2.324 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.852 -5.103 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.999 -3.940 -7.051 1.00 0.00 H new ATOM 343 N LEU A 27 -8.590 -3.173 -6.025 1.00 0.00 N ATOM 344 CA LEU A 27 -9.622 -3.176 -4.994 1.00 0.00 C ATOM 345 C LEU A 27 -10.904 -3.821 -5.509 1.00 0.00 C ATOM 346 O LEU A 27 -11.841 -4.062 -4.746 1.00 0.00 O ATOM 347 CB LEU A 27 -9.908 -1.748 -4.527 1.00 0.00 C ATOM 348 CG LEU A 27 -8.688 -0.910 -4.144 1.00 0.00 C ATOM 349 CD1 LEU A 27 -8.964 0.569 -4.369 1.00 0.00 C ATOM 350 CD2 LEU A 27 -8.296 -1.167 -2.696 1.00 0.00 C ATOM 0 H LEU A 27 -8.355 -2.248 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.256 -3.761 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.446 -1.229 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.576 -1.795 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.855 -1.205 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.084 1.150 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.194 0.740 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.811 0.878 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.426 -0.562 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.126 -0.902 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.055 -2.222 -2.566 1.00 0.00 H new ATOM 362 N LYS A 28 -10.940 -4.102 -6.807 1.00 0.00 N ATOM 363 CA LYS A 28 -12.105 -4.723 -7.425 1.00 0.00 C ATOM 364 C LYS A 28 -12.112 -6.228 -7.182 1.00 0.00 C ATOM 365 O LYS A 28 -11.227 -6.763 -6.514 1.00 0.00 O ATOM 366 CB LYS A 28 -12.123 -4.438 -8.929 1.00 0.00 C ATOM 367 CG LYS A 28 -12.076 -2.959 -9.268 1.00 0.00 C ATOM 368 CD LYS A 28 -12.180 -2.727 -10.766 1.00 0.00 C ATOM 369 CE LYS A 28 -13.616 -2.850 -11.251 1.00 0.00 C ATOM 370 NZ LYS A 28 -14.331 -1.544 -11.205 1.00 0.00 N ATOM 0 H LYS A 28 -10.174 -3.909 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.998 -4.295 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.273 -4.936 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.024 -4.873 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.891 -2.443 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.146 -2.529 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.796 -1.736 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.554 -3.449 -11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.623 -3.232 -12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.146 -3.576 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.306 -1.670 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.347 -1.191 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.840 -0.858 -11.813 1.00 0.00 H new ATOM 384 N ALA A 29 -13.116 -6.907 -7.728 1.00 0.00 N ATOM 385 CA ALA A 29 -13.236 -8.351 -7.573 1.00 0.00 C ATOM 386 C ALA A 29 -12.416 -9.086 -8.628 1.00 0.00 C ATOM 387 O ALA A 29 -11.475 -9.810 -8.303 1.00 0.00 O ATOM 388 CB ALA A 29 -14.696 -8.771 -7.650 1.00 0.00 C ATOM 0 H ALA A 29 -13.858 -6.479 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.843 -8.620 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.770 -9.852 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.258 -8.280 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.107 -8.482 -8.617 1.00 0.00 H new ATOM 394 N ASP A 30 -12.781 -8.897 -9.891 1.00 0.00 N ATOM 395 CA ASP A 30 -12.079 -9.542 -10.995 1.00 0.00 C ATOM 396 C ASP A 30 -10.718 -8.893 -11.227 1.00 0.00 C ATOM 397 O ASP A 30 -10.574 -8.015 -12.078 1.00 0.00 O ATOM 398 CB ASP A 30 -12.917 -9.470 -12.272 1.00 0.00 C ATOM 399 CG ASP A 30 -14.160 -10.334 -12.199 1.00 0.00 C ATOM 400 OD1 ASP A 30 -14.878 -10.256 -11.179 1.00 0.00 O ATOM 401 OD2 ASP A 30 -14.417 -11.087 -13.161 1.00 0.00 O ATOM 0 H ASP A 30 -13.559 -8.302 -10.176 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.922 -10.588 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.208 -8.435 -12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.309 -9.785 -13.120 1.00 0.00 H new ATOM 406 N VAL A 31 -9.722 -9.330 -10.463 1.00 0.00 N ATOM 407 CA VAL A 31 -8.372 -8.792 -10.585 1.00 0.00 C ATOM 408 C VAL A 31 -7.505 -9.677 -11.472 1.00 0.00 C ATOM 409 O VAL A 31 -7.968 -10.689 -12.000 1.00 0.00 O ATOM 410 CB VAL A 31 -7.698 -8.648 -9.207 1.00 0.00 C ATOM 411 CG1 VAL A 31 -8.517 -7.739 -8.304 1.00 0.00 C ATOM 412 CG2 VAL A 31 -7.502 -10.014 -8.566 1.00 0.00 C ATOM 0 H VAL A 31 -9.824 -10.055 -9.753 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.465 -7.806 -11.041 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.718 -8.193 -9.347 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.025 -7.649 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.602 -6.753 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.512 -8.162 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.025 -9.894 -7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.470 -10.498 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.870 -10.629 -9.207 1.00 0.00 H new ATOM 422 N VAL A 32 -6.244 -9.291 -11.633 1.00 0.00 N ATOM 423 CA VAL A 32 -5.310 -10.051 -12.456 1.00 0.00 C ATOM 424 C VAL A 32 -5.236 -11.505 -12.003 1.00 0.00 C ATOM 425 O VAL A 32 -5.613 -11.836 -10.879 1.00 0.00 O ATOM 426 CB VAL A 32 -3.898 -9.439 -12.413 1.00 0.00 C ATOM 427 CG1 VAL A 32 -3.937 -7.975 -12.826 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.292 -9.594 -11.027 1.00 0.00 C ATOM 0 H VAL A 32 -5.845 -8.456 -11.204 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.684 -10.011 -13.479 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.267 -9.975 -13.122 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.930 -7.560 -12.789 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.326 -7.893 -13.841 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.583 -7.422 -12.144 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.294 -9.156 -11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.920 -9.085 -10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.227 -10.652 -10.775 1.00 0.00 H new ATOM 438 N LEU A 33 -4.747 -12.369 -12.886 1.00 0.00 N ATOM 439 CA LEU A 33 -4.622 -13.789 -12.577 1.00 0.00 C ATOM 440 C LEU A 33 -3.501 -14.032 -11.572 1.00 0.00 C ATOM 441 O LEU A 33 -3.717 -14.548 -10.475 1.00 0.00 O ATOM 442 CB LEU A 33 -4.359 -14.588 -13.855 1.00 0.00 C ATOM 443 CG LEU A 33 -3.475 -15.826 -13.702 1.00 0.00 C ATOM 444 CD1 LEU A 33 -4.203 -16.908 -12.920 1.00 0.00 C ATOM 445 CD2 LEU A 33 -3.047 -16.348 -15.066 1.00 0.00 C ATOM 0 H LEU A 33 -4.431 -12.111 -13.821 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.560 -14.123 -12.134 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.318 -14.900 -14.269 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.897 -13.924 -14.586 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.581 -15.544 -13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.559 -17.781 -12.821 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.459 -16.532 -11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.115 -17.188 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.418 -17.229 -14.938 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.930 -16.614 -15.647 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.486 -15.575 -15.591 1.00 0.00 H new ATOM 457 N PRO A 34 -2.272 -13.649 -11.952 1.00 0.00 N ATOM 458 CA PRO A 34 -1.093 -13.812 -11.097 1.00 0.00 C ATOM 459 C PRO A 34 -1.117 -12.879 -9.891 1.00 0.00 C ATOM 460 O PRO A 34 -1.649 -13.226 -8.837 1.00 0.00 O ATOM 461 CB PRO A 34 0.071 -13.456 -12.026 1.00 0.00 C ATOM 462 CG PRO A 34 -0.526 -12.555 -13.052 1.00 0.00 C ATOM 463 CD PRO A 34 -1.941 -13.027 -13.245 1.00 0.00 C ATOM 0 HA PRO A 34 -1.030 -14.816 -10.677 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.874 -12.959 -11.482 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.500 -14.348 -12.483 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.503 -11.517 -12.721 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.033 -12.604 -13.987 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.612 -12.200 -13.477 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.018 -13.740 -14.066 1.00 0.00 H new ATOM 471 N ALA A 35 -0.538 -11.694 -10.054 1.00 0.00 N ATOM 472 CA ALA A 35 -0.495 -10.710 -8.980 1.00 0.00 C ATOM 473 C ALA A 35 -0.913 -9.332 -9.480 1.00 0.00 C ATOM 474 O ALA A 35 -0.727 -9.004 -10.652 1.00 0.00 O ATOM 475 CB ALA A 35 0.898 -10.653 -8.371 1.00 0.00 C ATOM 0 H ALA A 35 -0.092 -11.392 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.203 -11.018 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.915 -9.914 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.159 -11.631 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.619 -10.373 -9.139 1.00 0.00 H new ATOM 481 N ARG A 36 -1.479 -8.529 -8.586 1.00 0.00 N ATOM 482 CA ARG A 36 -1.925 -7.186 -8.938 1.00 0.00 C ATOM 483 C ARG A 36 -1.086 -6.130 -8.225 1.00 0.00 C ATOM 484 O ARG A 36 -0.570 -6.366 -7.132 1.00 0.00 O ATOM 485 CB ARG A 36 -3.402 -7.006 -8.581 1.00 0.00 C ATOM 486 CG ARG A 36 -3.912 -5.591 -8.796 1.00 0.00 C ATOM 487 CD ARG A 36 -4.047 -5.266 -10.276 1.00 0.00 C ATOM 488 NE ARG A 36 -3.885 -3.839 -10.540 1.00 0.00 N ATOM 489 CZ ARG A 36 -3.827 -3.320 -11.762 1.00 0.00 C ATOM 490 NH1 ARG A 36 -3.920 -4.107 -12.825 1.00 0.00 N ATOM 491 NH2 ARG A 36 -3.678 -2.011 -11.921 1.00 0.00 N ATOM 0 H ARG A 36 -1.640 -8.785 -7.612 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.800 -7.059 -10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.998 -7.693 -9.181 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.551 -7.282 -7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.879 -5.473 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.229 -4.882 -8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.301 -5.826 -10.840 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.025 -5.592 -10.631 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.812 -3.206 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.036 -5.113 -12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.875 -3.706 -13.762 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.608 -1.403 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.633 -1.613 -12.859 1.00 0.00 H new ATOM 505 N TYR A 37 -0.953 -4.966 -8.850 1.00 0.00 N ATOM 506 CA TYR A 37 -0.175 -3.875 -8.277 1.00 0.00 C ATOM 507 C TYR A 37 -0.828 -2.527 -8.568 1.00 0.00 C ATOM 508 O TYR A 37 -1.394 -2.317 -9.642 1.00 0.00 O ATOM 509 CB TYR A 37 1.251 -3.892 -8.830 1.00 0.00 C ATOM 510 CG TYR A 37 1.333 -3.571 -10.305 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.291 -2.256 -10.753 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.450 -4.581 -11.251 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.365 -1.957 -12.100 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.525 -4.292 -12.600 1.00 0.00 C ATOM 515 CZ TYR A 37 1.482 -2.979 -13.019 1.00 0.00 C ATOM 516 OH TYR A 37 1.555 -2.687 -14.362 1.00 0.00 O ATOM 0 H TYR A 37 -1.374 -4.754 -9.754 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.141 -4.016 -7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.855 -3.173 -8.276 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.687 -4.876 -8.656 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.199 -1.454 -10.036 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.483 -5.611 -10.926 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.331 -0.930 -12.431 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.617 -5.090 -13.322 1.00 0.00 H new ATOM 0 HH TYR A 37 1.636 -3.519 -14.874 1.00 0.00 H new ATOM 526 N PHE A 38 -0.746 -1.616 -7.604 1.00 0.00 N ATOM 527 CA PHE A 38 -1.329 -0.288 -7.755 1.00 0.00 C ATOM 528 C PHE A 38 -0.253 0.790 -7.681 1.00 0.00 C ATOM 529 O PHE A 38 0.862 0.540 -7.222 1.00 0.00 O ATOM 530 CB PHE A 38 -2.385 -0.046 -6.675 1.00 0.00 C ATOM 531 CG PHE A 38 -1.813 0.061 -5.290 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.452 -1.076 -4.585 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.635 1.299 -4.693 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.924 -0.981 -3.311 1.00 0.00 C ATOM 535 CE2 PHE A 38 -1.108 1.401 -3.420 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.753 0.259 -2.728 1.00 0.00 C ATOM 0 H PHE A 38 -0.281 -1.773 -6.710 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.803 -0.236 -8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.927 0.871 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.110 -0.860 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.585 -2.048 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.912 2.195 -5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.646 -1.875 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.974 2.372 -2.966 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.342 0.336 -1.732 1.00 0.00 H new ATOM 546 N TYR A 39 -0.594 1.991 -8.136 1.00 0.00 N ATOM 547 CA TYR A 39 0.343 3.107 -8.125 1.00 0.00 C ATOM 548 C TYR A 39 0.025 4.074 -6.988 1.00 0.00 C ATOM 549 O TYR A 39 -1.051 4.016 -6.392 1.00 0.00 O ATOM 550 CB TYR A 39 0.304 3.846 -9.464 1.00 0.00 C ATOM 551 CG TYR A 39 0.303 2.926 -10.663 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.466 2.285 -11.073 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.861 2.698 -11.387 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.469 1.444 -12.169 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.867 1.857 -12.484 1.00 0.00 C ATOM 556 CZ TYR A 39 0.301 1.234 -12.871 1.00 0.00 C ATOM 557 OH TYR A 39 0.300 0.396 -13.962 1.00 0.00 O ATOM 0 H TYR A 39 -1.513 2.216 -8.517 1.00 0.00 H new ATOM 0 HA TYR A 39 1.344 2.706 -7.968 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.587 4.474 -9.497 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.165 4.511 -9.528 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.383 2.447 -10.526 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.777 3.186 -11.087 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.381 0.954 -12.474 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.781 1.689 -13.035 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.602 0.356 -14.343 1.00 0.00 H new ATOM 567 N ILE A 40 0.969 4.962 -6.694 1.00 0.00 N ATOM 568 CA ILE A 40 0.790 5.943 -5.631 1.00 0.00 C ATOM 569 C ILE A 40 1.192 7.338 -6.096 1.00 0.00 C ATOM 570 O ILE A 40 2.378 7.641 -6.226 1.00 0.00 O ATOM 571 CB ILE A 40 1.611 5.574 -4.381 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.184 4.204 -3.849 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.448 6.639 -3.307 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.276 3.483 -3.090 1.00 0.00 C ATOM 0 H ILE A 40 1.865 5.022 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.269 5.940 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 40 2.664 5.523 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.321 4.330 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.863 3.583 -4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.034 6.364 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.796 7.598 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.397 6.719 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.903 2.520 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.132 3.325 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.582 4.084 -2.234 1.00 0.00 H new ATOM 586 N GLN A 41 0.196 8.183 -6.344 1.00 0.00 N ATOM 587 CA GLN A 41 0.447 9.547 -6.793 1.00 0.00 C ATOM 588 C GLN A 41 0.596 10.493 -5.606 1.00 0.00 C ATOM 589 O GLN A 41 -0.159 10.412 -4.638 1.00 0.00 O ATOM 590 CB GLN A 41 -0.687 10.024 -7.702 1.00 0.00 C ATOM 591 CG GLN A 41 -0.487 11.433 -8.237 1.00 0.00 C ATOM 592 CD GLN A 41 0.530 11.491 -9.359 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.626 10.574 -10.175 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.298 12.574 -9.406 1.00 0.00 N ATOM 0 H GLN A 41 -0.791 7.947 -6.242 1.00 0.00 H new ATOM 0 HA GLN A 41 1.380 9.551 -7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.782 9.336 -8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.626 9.984 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.441 11.820 -8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.164 12.084 -7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.185 13.310 -8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.001 12.669 -10.139 1.00 0.00 H new ATOM 603 N ALA A 42 1.574 11.389 -5.689 1.00 0.00 N ATOM 604 CA ALA A 42 1.820 12.352 -4.622 1.00 0.00 C ATOM 605 C ALA A 42 1.159 13.692 -4.928 1.00 0.00 C ATOM 606 O ALA A 42 1.397 14.287 -5.979 1.00 0.00 O ATOM 607 CB ALA A 42 3.316 12.535 -4.411 1.00 0.00 C ATOM 0 H ALA A 42 2.209 11.468 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 42 1.380 11.961 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.485 13.257 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.765 11.580 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.771 12.900 -5.332 1.00 0.00 H new ATOM 613 N VAL A 43 0.328 14.161 -4.004 1.00 0.00 N ATOM 614 CA VAL A 43 -0.367 15.431 -4.175 1.00 0.00 C ATOM 615 C VAL A 43 0.008 16.416 -3.074 1.00 0.00 C ATOM 616 O VAL A 43 0.420 16.017 -1.984 1.00 0.00 O ATOM 617 CB VAL A 43 -1.896 15.239 -4.177 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.602 16.574 -4.357 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.307 14.258 -5.264 1.00 0.00 C ATOM 0 H VAL A 43 0.119 13.681 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.057 15.833 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.194 14.825 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.681 16.418 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.331 17.242 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.301 17.020 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.390 14.134 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.997 14.641 -6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.829 13.295 -5.084 1.00 0.00 H new ATOM 629 N ASP A 44 -0.136 17.704 -3.365 1.00 0.00 N ATOM 630 CA ASP A 44 0.187 18.748 -2.399 1.00 0.00 C ATOM 631 C ASP A 44 -1.004 19.034 -1.490 1.00 0.00 C ATOM 632 O ASP A 44 -2.044 18.382 -1.587 1.00 0.00 O ATOM 633 CB ASP A 44 0.612 20.027 -3.121 1.00 0.00 C ATOM 634 CG ASP A 44 1.581 20.859 -2.304 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.742 20.429 -2.143 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.177 21.939 -1.824 1.00 0.00 O ATOM 0 H ASP A 44 -0.474 18.051 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 44 1.015 18.396 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.075 19.767 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.272 20.623 -3.348 1.00 0.00 H new ATOM 641 N THR A 45 -0.844 20.012 -0.604 1.00 0.00 N ATOM 642 CA THR A 45 -1.904 20.383 0.325 1.00 0.00 C ATOM 643 C THR A 45 -3.047 21.087 -0.398 1.00 0.00 C ATOM 644 O THR A 45 -4.145 21.223 0.141 1.00 0.00 O ATOM 645 CB THR A 45 -1.376 21.301 1.443 1.00 0.00 C ATOM 646 OG1 THR A 45 -0.776 22.470 0.875 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.358 20.571 2.306 1.00 0.00 C ATOM 0 H THR A 45 0.010 20.562 -0.510 1.00 0.00 H new ATOM 0 HA THR A 45 -2.273 19.458 0.769 1.00 0.00 H new ATOM 0 HB THR A 45 -2.218 21.594 2.070 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.444 23.049 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.001 21.239 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.826 19.698 2.761 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.481 20.252 1.688 1.00 0.00 H new ATOM 655 N SER A 46 -2.781 21.532 -1.622 1.00 0.00 N ATOM 656 CA SER A 46 -3.787 22.225 -2.418 1.00 0.00 C ATOM 657 C SER A 46 -4.499 21.257 -3.357 1.00 0.00 C ATOM 658 O SER A 46 -5.710 21.343 -3.555 1.00 0.00 O ATOM 659 CB SER A 46 -3.141 23.354 -3.224 1.00 0.00 C ATOM 660 OG SER A 46 -2.538 24.310 -2.370 1.00 0.00 O ATOM 0 H SER A 46 -1.878 21.425 -2.084 1.00 0.00 H new ATOM 0 HA SER A 46 -4.524 22.650 -1.737 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.391 22.940 -3.899 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.895 23.840 -3.844 1.00 0.00 H new ATOM 0 HG SER A 46 -2.131 25.020 -2.909 1.00 0.00 H new ATOM 666 N GLY A 47 -3.736 20.334 -3.935 1.00 0.00 N ATOM 667 CA GLY A 47 -4.309 19.361 -4.847 1.00 0.00 C ATOM 668 C GLY A 47 -3.633 19.370 -6.204 1.00 0.00 C ATOM 669 O GLY A 47 -4.292 19.231 -7.234 1.00 0.00 O ATOM 0 H GLY A 47 -2.731 20.243 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.227 18.366 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.372 19.567 -4.973 1.00 0.00 H new ATOM 673 N ASN A 48 -2.315 19.536 -6.205 1.00 0.00 N ATOM 674 CA ASN A 48 -1.549 19.565 -7.446 1.00 0.00 C ATOM 675 C ASN A 48 -0.517 18.442 -7.475 1.00 0.00 C ATOM 676 O ASN A 48 0.290 18.302 -6.555 1.00 0.00 O ATOM 677 CB ASN A 48 -0.853 20.917 -7.610 1.00 0.00 C ATOM 678 CG ASN A 48 -0.035 21.297 -6.391 1.00 0.00 C ATOM 679 OD1 ASN A 48 1.027 20.727 -6.140 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.527 22.265 -5.626 1.00 0.00 N ATOM 0 H ASN A 48 -1.755 19.653 -5.361 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.242 19.419 -8.274 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.203 20.885 -8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.601 21.687 -7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.021 22.563 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.411 22.710 -5.872 1.00 0.00 H new ATOM 687 N LYS A 49 -0.547 17.644 -8.537 1.00 0.00 N ATOM 688 CA LYS A 49 0.387 16.535 -8.688 1.00 0.00 C ATOM 689 C LYS A 49 1.829 17.018 -8.571 1.00 0.00 C ATOM 690 O LYS A 49 2.187 18.070 -9.101 1.00 0.00 O ATOM 691 CB LYS A 49 0.177 15.844 -10.037 1.00 0.00 C ATOM 692 CG LYS A 49 -1.193 15.206 -10.187 1.00 0.00 C ATOM 693 CD LYS A 49 -1.406 14.665 -11.591 1.00 0.00 C ATOM 694 CE LYS A 49 -2.873 14.713 -11.991 1.00 0.00 C ATOM 695 NZ LYS A 49 -3.589 13.461 -11.621 1.00 0.00 N ATOM 0 H LYS A 49 -1.209 17.745 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 49 0.196 15.821 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.318 16.573 -10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.941 15.078 -10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.300 14.397 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.965 15.941 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.816 15.246 -12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.047 13.637 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.354 15.563 -11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.951 14.872 -13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.585 13.533 -11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.146 12.653 -12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.536 13.322 -10.592 1.00 0.00 H new ATOM 709 N PHE A 50 2.654 16.241 -7.876 1.00 0.00 N ATOM 710 CA PHE A 50 4.058 16.590 -7.691 1.00 0.00 C ATOM 711 C PHE A 50 4.859 16.315 -8.960 1.00 0.00 C ATOM 712 O PHE A 50 5.721 17.104 -9.347 1.00 0.00 O ATOM 713 CB PHE A 50 4.650 15.803 -6.520 1.00 0.00 C ATOM 714 CG PHE A 50 4.543 16.517 -5.203 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.371 17.163 -4.843 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.615 16.542 -4.324 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.269 17.820 -3.631 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.518 17.198 -3.111 1.00 0.00 C ATOM 719 CZ PHE A 50 4.345 17.838 -2.765 1.00 0.00 C ATOM 0 H PHE A 50 2.375 15.366 -7.432 1.00 0.00 H new ATOM 0 HA PHE A 50 4.116 17.656 -7.470 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.142 14.841 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.700 15.594 -6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.527 17.153 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.536 16.044 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.350 18.318 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.360 17.210 -2.434 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.269 18.352 -1.818 1.00 0.00 H new ATOM 729 N THR A 51 4.567 15.189 -9.604 1.00 0.00 N ATOM 730 CA THR A 51 5.260 14.808 -10.828 1.00 0.00 C ATOM 731 C THR A 51 6.768 14.982 -10.684 1.00 0.00 C ATOM 732 O THR A 51 7.479 15.164 -11.672 1.00 0.00 O ATOM 733 CB THR A 51 4.772 15.637 -12.031 1.00 0.00 C ATOM 734 OG1 THR A 51 5.003 17.030 -11.793 1.00 0.00 O ATOM 735 CG2 THR A 51 3.292 15.400 -12.287 1.00 0.00 C ATOM 0 H THR A 51 3.855 14.525 -9.298 1.00 0.00 H new ATOM 0 HA THR A 51 5.034 13.756 -11.004 1.00 0.00 H new ATOM 0 HB THR A 51 5.332 15.322 -12.912 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.574 17.137 -11.004 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.970 15.996 -13.141 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.124 14.344 -12.498 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.719 15.690 -11.406 1.00 0.00 H new ATOM 743 N SER A 52 7.249 14.924 -9.446 1.00 0.00 N ATOM 744 CA SER A 52 8.673 15.078 -9.172 1.00 0.00 C ATOM 745 C SER A 52 9.186 13.934 -8.303 1.00 0.00 C ATOM 746 O SER A 52 8.411 13.100 -7.835 1.00 0.00 O ATOM 747 CB SER A 52 8.940 16.417 -8.482 1.00 0.00 C ATOM 748 OG SER A 52 8.984 17.476 -9.423 1.00 0.00 O ATOM 0 H SER A 52 6.674 14.772 -8.617 1.00 0.00 H new ATOM 0 HA SER A 52 9.205 15.055 -10.123 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.160 16.612 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.884 16.368 -7.940 1.00 0.00 H new ATOM 0 HG SER A 52 9.154 18.321 -8.957 1.00 0.00 H new ATOM 754 N SER A 53 10.498 13.901 -8.092 1.00 0.00 N ATOM 755 CA SER A 53 11.117 12.858 -7.282 1.00 0.00 C ATOM 756 C SER A 53 11.304 13.327 -5.842 1.00 0.00 C ATOM 757 O SER A 53 12.192 14.121 -5.532 1.00 0.00 O ATOM 758 CB SER A 53 12.466 12.453 -7.878 1.00 0.00 C ATOM 759 OG SER A 53 13.115 11.491 -7.065 1.00 0.00 O ATOM 0 H SER A 53 11.153 14.585 -8.471 1.00 0.00 H new ATOM 0 HA SER A 53 10.454 11.993 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.318 12.047 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.100 13.333 -7.982 1.00 0.00 H new ATOM 0 HG SER A 53 13.974 11.248 -7.469 1.00 0.00 H new ATOM 765 N PRO A 54 10.447 12.826 -4.941 1.00 0.00 N ATOM 766 CA PRO A 54 10.497 13.178 -3.519 1.00 0.00 C ATOM 767 C PRO A 54 11.722 12.599 -2.821 1.00 0.00 C ATOM 768 O PRO A 54 12.410 13.294 -2.075 1.00 0.00 O ATOM 769 CB PRO A 54 9.216 12.557 -2.954 1.00 0.00 C ATOM 770 CG PRO A 54 8.900 11.433 -3.880 1.00 0.00 C ATOM 771 CD PRO A 54 9.363 11.875 -5.241 1.00 0.00 C ATOM 0 HA PRO A 54 10.567 14.255 -3.368 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.365 12.200 -1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.404 13.284 -2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.409 10.519 -3.572 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.831 11.218 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.719 11.035 -5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.559 12.347 -5.805 1.00 0.00 H new ATOM 779 N GLY A 55 11.990 11.320 -3.069 1.00 0.00 N ATOM 780 CA GLY A 55 13.134 10.670 -2.456 1.00 0.00 C ATOM 781 C GLY A 55 13.223 9.199 -2.813 1.00 0.00 C ATOM 782 O GLY A 55 12.656 8.761 -3.813 1.00 0.00 O ATOM 0 H GLY A 55 11.436 10.723 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.047 11.174 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.071 10.775 -1.373 1.00 0.00 H new ATOM 786 N GLU A 56 13.940 8.436 -1.994 1.00 0.00 N ATOM 787 CA GLU A 56 14.104 7.006 -2.230 1.00 0.00 C ATOM 788 C GLU A 56 12.900 6.227 -1.709 1.00 0.00 C ATOM 789 O GLU A 56 12.139 5.646 -2.484 1.00 0.00 O ATOM 790 CB GLU A 56 15.382 6.499 -1.560 1.00 0.00 C ATOM 791 CG GLU A 56 15.761 5.084 -1.963 1.00 0.00 C ATOM 792 CD GLU A 56 17.147 4.692 -1.488 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.335 4.546 -0.263 1.00 0.00 O ATOM 794 OE2 GLU A 56 18.043 4.533 -2.343 1.00 0.00 O ATOM 0 H GLU A 56 14.416 8.784 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 56 14.179 6.848 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.204 7.171 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.255 6.538 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.030 4.386 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.715 4.995 -3.048 1.00 0.00 H new ATOM 801 N LYS A 57 12.733 6.219 -0.391 1.00 0.00 N ATOM 802 CA LYS A 57 11.622 5.512 0.236 1.00 0.00 C ATOM 803 C LYS A 57 10.809 6.453 1.120 1.00 0.00 C ATOM 804 O LYS A 57 10.979 6.477 2.339 1.00 0.00 O ATOM 805 CB LYS A 57 12.142 4.337 1.066 1.00 0.00 C ATOM 806 CG LYS A 57 12.864 3.284 0.243 1.00 0.00 C ATOM 807 CD LYS A 57 11.889 2.305 -0.389 1.00 0.00 C ATOM 808 CE LYS A 57 12.577 1.416 -1.414 1.00 0.00 C ATOM 809 NZ LYS A 57 13.495 0.435 -0.770 1.00 0.00 N ATOM 0 H LYS A 57 13.353 6.694 0.264 1.00 0.00 H new ATOM 0 HA LYS A 57 10.973 5.132 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.819 4.715 1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.304 3.870 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.450 3.770 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.565 2.742 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.439 1.686 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.079 2.855 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.825 0.882 -1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.139 2.035 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.944 -0.152 -1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.228 0.944 -0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.954 -0.173 -0.122 1.00 0.00 H new ATOM 823 N VAL A 58 9.924 7.225 0.498 1.00 0.00 N ATOM 824 CA VAL A 58 9.082 8.165 1.228 1.00 0.00 C ATOM 825 C VAL A 58 7.710 7.566 1.515 1.00 0.00 C ATOM 826 O VAL A 58 7.092 7.863 2.538 1.00 0.00 O ATOM 827 CB VAL A 58 8.903 9.481 0.449 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.204 10.269 0.424 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.413 9.200 -0.964 1.00 0.00 C ATOM 0 H VAL A 58 9.771 7.218 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 58 9.587 8.376 2.171 1.00 0.00 H new ATOM 0 HB VAL A 58 8.151 10.085 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.058 11.196 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.508 10.501 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.980 9.675 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.292 10.141 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.140 8.577 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.455 8.681 -0.921 1.00 0.00 H new ATOM 839 N PHE A 59 7.238 6.719 0.606 1.00 0.00 N ATOM 840 CA PHE A 59 5.938 6.078 0.761 1.00 0.00 C ATOM 841 C PHE A 59 6.098 4.592 1.070 1.00 0.00 C ATOM 842 O PHE A 59 6.966 3.922 0.512 1.00 0.00 O ATOM 843 CB PHE A 59 5.102 6.259 -0.508 1.00 0.00 C ATOM 844 CG PHE A 59 4.307 7.533 -0.525 1.00 0.00 C ATOM 845 CD1 PHE A 59 4.944 8.762 -0.583 1.00 0.00 C ATOM 846 CD2 PHE A 59 2.922 7.501 -0.482 1.00 0.00 C ATOM 847 CE1 PHE A 59 4.214 9.936 -0.598 1.00 0.00 C ATOM 848 CE2 PHE A 59 2.187 8.672 -0.498 1.00 0.00 C ATOM 849 CZ PHE A 59 2.834 9.891 -0.557 1.00 0.00 C ATOM 0 H PHE A 59 7.737 6.461 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 59 5.424 6.552 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.763 6.241 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.421 5.414 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.023 8.803 -0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.411 6.551 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.722 10.888 -0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.108 8.634 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.262 10.807 -0.571 1.00 0.00 H new ATOM 859 N GLN A 60 5.254 4.086 1.964 1.00 0.00 N ATOM 860 CA GLN A 60 5.303 2.680 2.348 1.00 0.00 C ATOM 861 C GLN A 60 3.923 2.038 2.240 1.00 0.00 C ATOM 862 O GLN A 60 2.901 2.720 2.326 1.00 0.00 O ATOM 863 CB GLN A 60 5.834 2.538 3.776 1.00 0.00 C ATOM 864 CG GLN A 60 5.998 1.095 4.223 1.00 0.00 C ATOM 865 CD GLN A 60 7.026 0.939 5.326 1.00 0.00 C ATOM 866 OE1 GLN A 60 6.854 1.459 6.429 1.00 0.00 O ATOM 867 NE2 GLN A 60 8.103 0.220 5.035 1.00 0.00 N ATOM 0 H GLN A 60 4.529 4.628 2.435 1.00 0.00 H new ATOM 0 HA GLN A 60 5.978 2.166 1.664 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.797 3.044 3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.154 3.046 4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.037 0.715 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.292 0.485 3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.205 -0.193 4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.828 0.081 5.738 1.00 0.00 H new ATOM 876 N VAL A 61 3.901 0.722 2.052 1.00 0.00 N ATOM 877 CA VAL A 61 2.647 -0.012 1.933 1.00 0.00 C ATOM 878 C VAL A 61 2.685 -1.300 2.747 1.00 0.00 C ATOM 879 O VAL A 61 3.688 -2.015 2.753 1.00 0.00 O ATOM 880 CB VAL A 61 2.335 -0.355 0.464 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.061 -1.180 0.367 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.223 0.914 -0.367 1.00 0.00 C ATOM 0 H VAL A 61 4.737 0.143 1.979 1.00 0.00 H new ATOM 0 HA VAL A 61 1.862 0.637 2.322 1.00 0.00 H new ATOM 0 HB VAL A 61 3.156 -0.951 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.857 -1.413 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.184 -2.107 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.228 -0.613 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.002 0.653 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.422 1.538 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.165 1.461 -0.324 1.00 0.00 H new ATOM 892 N LYS A 62 1.586 -1.592 3.435 1.00 0.00 N ATOM 893 CA LYS A 62 1.491 -2.795 4.252 1.00 0.00 C ATOM 894 C LYS A 62 0.268 -3.620 3.866 1.00 0.00 C ATOM 895 O LYS A 62 -0.813 -3.077 3.639 1.00 0.00 O ATOM 896 CB LYS A 62 1.422 -2.424 5.736 1.00 0.00 C ATOM 897 CG LYS A 62 0.970 -3.567 6.628 1.00 0.00 C ATOM 898 CD LYS A 62 1.543 -3.441 8.029 1.00 0.00 C ATOM 899 CE LYS A 62 0.834 -2.356 8.825 1.00 0.00 C ATOM 900 NZ LYS A 62 1.431 -2.181 10.179 1.00 0.00 N ATOM 0 H LYS A 62 0.748 -1.011 3.443 1.00 0.00 H new ATOM 0 HA LYS A 62 2.383 -3.396 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.405 -2.086 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.738 -1.585 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.119 -3.581 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.281 -4.516 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.450 -4.395 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.607 -3.213 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.886 -1.413 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.222 -2.609 8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.920 -1.433 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.358 -3.073 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.432 -1.915 10.085 1.00 0.00 H new ATOM 914 N VAL A 63 0.446 -4.936 3.794 1.00 0.00 N ATOM 915 CA VAL A 63 -0.644 -5.836 3.438 1.00 0.00 C ATOM 916 C VAL A 63 -0.939 -6.816 4.568 1.00 0.00 C ATOM 917 O VAL A 63 -0.095 -7.637 4.928 1.00 0.00 O ATOM 918 CB VAL A 63 -0.321 -6.629 2.157 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.439 -7.611 1.841 1.00 0.00 C ATOM 920 CG2 VAL A 63 -0.087 -5.682 0.990 1.00 0.00 C ATOM 0 H VAL A 63 1.335 -5.402 3.978 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.522 -5.215 3.261 1.00 0.00 H new ATOM 0 HB VAL A 63 0.594 -7.198 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.193 -8.162 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.555 -8.310 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.371 -7.066 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.140 -6.259 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.983 -5.085 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.750 -5.023 1.219 1.00 0.00 H new ATOM 930 N SER A 64 -2.143 -6.724 5.124 1.00 0.00 N ATOM 931 CA SER A 64 -2.549 -7.601 6.216 1.00 0.00 C ATOM 932 C SER A 64 -3.821 -8.362 5.858 1.00 0.00 C ATOM 933 O SER A 64 -4.752 -7.801 5.280 1.00 0.00 O ATOM 934 CB SER A 64 -2.770 -6.789 7.494 1.00 0.00 C ATOM 935 OG SER A 64 -1.552 -6.594 8.191 1.00 0.00 O ATOM 0 H SER A 64 -2.854 -6.051 4.836 1.00 0.00 H new ATOM 0 HA SER A 64 -1.750 -8.323 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.208 -5.823 7.244 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.483 -7.305 8.138 1.00 0.00 H new ATOM 0 HG SER A 64 -1.720 -6.071 9.003 1.00 0.00 H new ATOM 941 N ALA A 65 -3.854 -9.645 6.205 1.00 0.00 N ATOM 942 CA ALA A 65 -5.011 -10.484 5.921 1.00 0.00 C ATOM 943 C ALA A 65 -5.776 -10.813 7.199 1.00 0.00 C ATOM 944 O ALA A 65 -5.194 -11.155 8.229 1.00 0.00 O ATOM 945 CB ALA A 65 -4.578 -11.762 5.219 1.00 0.00 C ATOM 0 H ALA A 65 -3.092 -10.126 6.683 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.678 -9.929 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.453 -12.379 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.082 -11.512 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.888 -12.313 5.859 1.00 0.00 H new ATOM 951 N PRO A 66 -7.112 -10.709 7.134 1.00 0.00 N ATOM 952 CA PRO A 66 -7.985 -10.991 8.277 1.00 0.00 C ATOM 953 C PRO A 66 -8.020 -12.475 8.627 1.00 0.00 C ATOM 954 O PRO A 66 -8.322 -12.848 9.760 1.00 0.00 O ATOM 955 CB PRO A 66 -9.360 -10.522 7.798 1.00 0.00 C ATOM 956 CG PRO A 66 -9.296 -10.616 6.312 1.00 0.00 C ATOM 957 CD PRO A 66 -7.873 -10.307 5.939 1.00 0.00 C ATOM 0 HA PRO A 66 -7.642 -10.493 9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.155 -11.150 8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.565 -9.502 8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.582 -11.611 5.971 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.984 -9.910 5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.559 -10.864 5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.737 -9.249 5.713 1.00 0.00 H new ATOM 965 N GLU A 67 -7.708 -13.317 7.646 1.00 0.00 N ATOM 966 CA GLU A 67 -7.705 -14.761 7.852 1.00 0.00 C ATOM 967 C GLU A 67 -6.814 -15.140 9.031 1.00 0.00 C ATOM 968 O GLU A 67 -7.287 -15.677 10.032 1.00 0.00 O ATOM 969 CB GLU A 67 -7.229 -15.478 6.587 1.00 0.00 C ATOM 970 CG GLU A 67 -7.964 -15.045 5.329 1.00 0.00 C ATOM 971 CD GLU A 67 -7.672 -15.945 4.144 1.00 0.00 C ATOM 972 OE1 GLU A 67 -6.553 -16.497 4.081 1.00 0.00 O ATOM 973 OE2 GLU A 67 -8.561 -16.097 3.280 1.00 0.00 O ATOM 0 H GLU A 67 -7.454 -13.024 6.702 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.725 -15.073 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.162 -15.296 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.355 -16.553 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.037 -15.042 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.682 -14.022 5.082 1.00 0.00 H new ATOM 980 N GLU A 68 -5.521 -14.858 8.903 1.00 0.00 N ATOM 981 CA GLU A 68 -4.564 -15.171 9.957 1.00 0.00 C ATOM 982 C GLU A 68 -3.673 -13.969 10.257 1.00 0.00 C ATOM 983 O GLU A 68 -2.993 -13.451 9.371 1.00 0.00 O ATOM 984 CB GLU A 68 -3.703 -16.370 9.555 1.00 0.00 C ATOM 985 CG GLU A 68 -2.858 -16.124 8.316 1.00 0.00 C ATOM 986 CD GLU A 68 -2.521 -17.404 7.576 1.00 0.00 C ATOM 987 OE1 GLU A 68 -1.649 -18.157 8.060 1.00 0.00 O ATOM 988 OE2 GLU A 68 -3.128 -17.654 6.514 1.00 0.00 O ATOM 0 H GLU A 68 -5.113 -14.414 8.080 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.124 -15.421 10.858 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.047 -16.631 10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.351 -17.229 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.391 -15.450 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.935 -15.622 8.604 1.00 0.00 H new ATOM 995 N GLN A 69 -3.682 -13.532 11.512 1.00 0.00 N ATOM 996 CA GLN A 69 -2.876 -12.390 11.929 1.00 0.00 C ATOM 997 C GLN A 69 -1.509 -12.414 11.255 1.00 0.00 C ATOM 998 O GLN A 69 -1.145 -11.486 10.533 1.00 0.00 O ATOM 999 CB GLN A 69 -2.708 -12.386 13.450 1.00 0.00 C ATOM 1000 CG GLN A 69 -4.025 -12.324 14.207 1.00 0.00 C ATOM 1001 CD GLN A 69 -4.469 -10.902 14.489 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -3.712 -9.952 14.290 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -5.702 -10.748 14.957 1.00 0.00 N ATOM 0 H GLN A 69 -4.238 -13.951 12.258 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.395 -11.481 11.625 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.168 -13.284 13.750 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.093 -11.533 13.737 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.796 -12.834 13.629 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.924 -12.863 15.149 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.296 -11.563 15.107 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.055 -9.814 15.166 1.00 0.00 H new ATOM 1012 N PHE A 70 -0.755 -13.482 11.495 1.00 0.00 N ATOM 1013 CA PHE A 70 0.574 -13.627 10.911 1.00 0.00 C ATOM 1014 C PHE A 70 0.515 -13.515 9.391 1.00 0.00 C ATOM 1015 O PHE A 70 0.121 -14.457 8.701 1.00 0.00 O ATOM 1016 CB PHE A 70 1.187 -14.970 11.312 1.00 0.00 C ATOM 1017 CG PHE A 70 2.194 -15.487 10.326 1.00 0.00 C ATOM 1018 CD1 PHE A 70 3.399 -14.829 10.136 1.00 0.00 C ATOM 1019 CD2 PHE A 70 1.937 -16.632 9.588 1.00 0.00 C ATOM 1020 CE1 PHE A 70 4.327 -15.303 9.228 1.00 0.00 C ATOM 1021 CE2 PHE A 70 2.862 -17.110 8.679 1.00 0.00 C ATOM 1022 CZ PHE A 70 4.059 -16.446 8.500 1.00 0.00 C ATOM 0 H PHE A 70 -1.041 -14.260 12.090 1.00 0.00 H new ATOM 0 HA PHE A 70 1.201 -12.821 11.293 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.665 -14.866 12.286 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.390 -15.705 11.425 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.615 -13.936 10.704 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.003 -17.157 9.725 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.261 -14.780 9.088 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.648 -18.002 8.109 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.784 -16.819 7.792 1.00 0.00 H new ATOM 1032 N THR A 71 0.910 -12.356 8.872 1.00 0.00 N ATOM 1033 CA THR A 71 0.901 -12.119 7.434 1.00 0.00 C ATOM 1034 C THR A 71 2.318 -11.973 6.893 1.00 0.00 C ATOM 1035 O THR A 71 2.963 -10.941 7.084 1.00 0.00 O ATOM 1036 CB THR A 71 0.094 -10.856 7.078 1.00 0.00 C ATOM 1037 OG1 THR A 71 -1.163 -10.868 7.764 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.142 -10.771 5.578 1.00 0.00 C ATOM 0 H THR A 71 1.240 -11.567 9.427 1.00 0.00 H new ATOM 0 HA THR A 71 0.427 -12.985 6.973 1.00 0.00 H new ATOM 0 HB THR A 71 0.669 -9.984 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.008 -10.936 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.714 -9.871 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.817 -10.733 5.060 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.698 -11.648 5.247 1.00 0.00 H new ATOM 1046 N ARG A 72 2.798 -13.010 6.215 1.00 0.00 N ATOM 1047 CA ARG A 72 4.140 -12.996 5.645 1.00 0.00 C ATOM 1048 C ARG A 72 4.119 -12.465 4.215 1.00 0.00 C ATOM 1049 O ARG A 72 4.075 -13.235 3.256 1.00 0.00 O ATOM 1050 CB ARG A 72 4.742 -14.403 5.669 1.00 0.00 C ATOM 1051 CG ARG A 72 6.182 -14.457 5.188 1.00 0.00 C ATOM 1052 CD ARG A 72 6.800 -15.825 5.433 1.00 0.00 C ATOM 1053 NE ARG A 72 7.445 -15.908 6.740 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.557 -15.254 7.055 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.145 -14.471 6.160 1.00 0.00 N ATOM 1056 NH2 ARG A 72 9.084 -15.381 8.266 1.00 0.00 N ATOM 0 H ARG A 72 2.277 -13.871 6.047 1.00 0.00 H new ATOM 0 HA ARG A 72 4.757 -12.333 6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.693 -14.793 6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.135 -15.060 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.220 -14.225 4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.767 -13.695 5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.027 -16.590 5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.532 -16.037 4.654 1.00 0.00 H new ATOM 0 HE ARG A 72 7.018 -16.502 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.743 -14.370 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.999 -13.969 6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.635 -15.982 8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.938 -14.878 8.506 1.00 0.00 H new ATOM 1070 N VAL A 73 4.150 -11.143 4.080 1.00 0.00 N ATOM 1071 CA VAL A 73 4.134 -10.508 2.768 1.00 0.00 C ATOM 1072 C VAL A 73 5.310 -9.551 2.607 1.00 0.00 C ATOM 1073 O VAL A 73 5.515 -8.658 3.427 1.00 0.00 O ATOM 1074 CB VAL A 73 2.823 -9.735 2.534 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.852 -9.029 1.187 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.628 -10.673 2.627 1.00 0.00 C ATOM 0 H VAL A 73 4.186 -10.491 4.864 1.00 0.00 H new ATOM 0 HA VAL A 73 4.213 -11.306 2.029 1.00 0.00 H new ATOM 0 HB VAL A 73 2.724 -8.978 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.917 -8.488 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.685 -8.327 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.974 -9.765 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.710 -10.110 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.718 -11.454 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.599 -11.128 3.617 1.00 0.00 H new ATOM 1086 N GLY A 74 6.082 -9.745 1.541 1.00 0.00 N ATOM 1087 CA GLY A 74 7.228 -8.891 1.291 1.00 0.00 C ATOM 1088 C GLY A 74 6.912 -7.763 0.329 1.00 0.00 C ATOM 1089 O GLY A 74 7.246 -7.834 -0.854 1.00 0.00 O ATOM 0 H GLY A 74 5.934 -10.478 0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.578 -8.472 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.043 -9.491 0.887 1.00 0.00 H new ATOM 1093 N VAL A 75 6.265 -6.719 0.836 1.00 0.00 N ATOM 1094 CA VAL A 75 5.903 -5.571 0.014 1.00 0.00 C ATOM 1095 C VAL A 75 7.098 -4.649 -0.201 1.00 0.00 C ATOM 1096 O VAL A 75 7.762 -4.246 0.754 1.00 0.00 O ATOM 1097 CB VAL A 75 4.755 -4.764 0.650 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.547 -3.454 -0.093 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.474 -5.585 0.669 1.00 0.00 C ATOM 0 H VAL A 75 5.981 -6.645 1.813 1.00 0.00 H new ATOM 0 HA VAL A 75 5.573 -5.963 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 75 5.025 -4.530 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.732 -2.898 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.461 -2.862 -0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.298 -3.662 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.673 -5.000 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.197 -5.851 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.633 -6.493 1.250 1.00 0.00 H new ATOM 1109 N GLN A 76 7.366 -4.321 -1.461 1.00 0.00 N ATOM 1110 CA GLN A 76 8.483 -3.446 -1.800 1.00 0.00 C ATOM 1111 C GLN A 76 8.048 -2.366 -2.785 1.00 0.00 C ATOM 1112 O GLN A 76 7.220 -2.608 -3.663 1.00 0.00 O ATOM 1113 CB GLN A 76 9.633 -4.261 -2.394 1.00 0.00 C ATOM 1114 CG GLN A 76 10.915 -3.463 -2.574 1.00 0.00 C ATOM 1115 CD GLN A 76 11.623 -3.192 -1.261 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.017 -2.712 -0.303 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.913 -3.500 -1.210 1.00 0.00 N ATOM 0 H GLN A 76 6.826 -4.647 -2.263 1.00 0.00 H new ATOM 0 HA GLN A 76 8.824 -2.962 -0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.834 -5.115 -1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.324 -4.659 -3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.586 -4.006 -3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.683 -2.515 -3.060 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.375 -3.896 -2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.442 -3.341 -0.353 1.00 0.00 H new ATOM 1126 N VAL A 77 8.612 -1.172 -2.632 1.00 0.00 N ATOM 1127 CA VAL A 77 8.283 -0.053 -3.508 1.00 0.00 C ATOM 1128 C VAL A 77 9.453 0.291 -4.423 1.00 0.00 C ATOM 1129 O VAL A 77 10.610 0.286 -3.998 1.00 0.00 O ATOM 1130 CB VAL A 77 7.894 1.198 -2.699 1.00 0.00 C ATOM 1131 CG1 VAL A 77 6.680 0.913 -1.827 1.00 0.00 C ATOM 1132 CG2 VAL A 77 9.067 1.673 -1.855 1.00 0.00 C ATOM 0 H VAL A 77 9.299 -0.955 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 77 7.431 -0.365 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 77 7.632 1.994 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.419 1.808 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.839 0.624 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.911 0.102 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.774 2.558 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.362 0.883 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.907 1.919 -2.505 1.00 0.00 H new ATOM 1142 N LEU A 78 9.146 0.589 -5.680 1.00 0.00 N ATOM 1143 CA LEU A 78 10.172 0.937 -6.657 1.00 0.00 C ATOM 1144 C LEU A 78 9.757 2.157 -7.472 1.00 0.00 C ATOM 1145 O LEU A 78 8.580 2.335 -7.787 1.00 0.00 O ATOM 1146 CB LEU A 78 10.439 -0.247 -7.589 1.00 0.00 C ATOM 1147 CG LEU A 78 11.704 -0.156 -8.443 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.946 -0.261 -7.572 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.705 -1.241 -9.510 1.00 0.00 C ATOM 0 H LEU A 78 8.194 0.597 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 78 11.087 1.179 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.496 -1.153 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.583 -0.361 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 78 11.715 0.815 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.836 -0.194 -8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.951 0.552 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.943 -1.216 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.612 -1.162 -10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.670 -2.220 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.834 -1.119 -10.154 1.00 0.00 H new ATOM 1161 N ASP A 79 10.731 2.994 -7.812 1.00 0.00 N ATOM 1162 CA ASP A 79 10.468 4.197 -8.594 1.00 0.00 C ATOM 1163 C ASP A 79 10.353 3.865 -10.078 1.00 0.00 C ATOM 1164 O ASP A 79 11.271 3.297 -10.670 1.00 0.00 O ATOM 1165 CB ASP A 79 11.576 5.228 -8.372 1.00 0.00 C ATOM 1166 CG ASP A 79 12.837 4.898 -9.147 1.00 0.00 C ATOM 1167 OD1 ASP A 79 12.896 5.223 -10.351 1.00 0.00 O ATOM 1168 OD2 ASP A 79 13.764 4.315 -8.548 1.00 0.00 O ATOM 0 H ASP A 79 11.710 2.862 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 79 9.520 4.618 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.217 6.213 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.810 5.282 -7.309 1.00 0.00 H new ATOM 1173 N ARG A 80 9.221 4.224 -10.674 1.00 0.00 N ATOM 1174 CA ARG A 80 8.986 3.962 -12.089 1.00 0.00 C ATOM 1175 C ARG A 80 9.056 5.253 -12.899 1.00 0.00 C ATOM 1176 O ARG A 80 9.792 5.343 -13.882 1.00 0.00 O ATOM 1177 CB ARG A 80 7.622 3.297 -12.287 1.00 0.00 C ATOM 1178 CG ARG A 80 7.649 1.788 -12.105 1.00 0.00 C ATOM 1179 CD ARG A 80 6.576 1.108 -12.942 1.00 0.00 C ATOM 1180 NE ARG A 80 6.952 1.024 -14.350 1.00 0.00 N ATOM 1181 CZ ARG A 80 7.800 0.122 -14.832 1.00 0.00 C ATOM 1182 NH1 ARG A 80 8.356 -0.769 -14.023 1.00 0.00 N ATOM 1183 NH2 ARG A 80 8.092 0.109 -16.127 1.00 0.00 N ATOM 0 H ARG A 80 8.452 4.697 -10.199 1.00 0.00 H new ATOM 0 HA ARG A 80 9.766 3.288 -12.443 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.911 3.727 -11.581 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.256 3.528 -13.288 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.630 1.404 -12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.501 1.544 -11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.395 0.105 -12.555 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.640 1.659 -12.849 1.00 0.00 H new ATOM 0 HE ARG A 80 6.541 1.695 -14.999 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.133 -0.763 -13.028 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.007 -1.460 -14.396 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.665 0.792 -16.753 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.743 -0.584 -16.496 1.00 0.00 H new ATOM 1197 N LYS A 81 8.285 6.251 -12.481 1.00 0.00 N ATOM 1198 CA LYS A 81 8.260 7.538 -13.166 1.00 0.00 C ATOM 1199 C LYS A 81 8.891 8.627 -12.304 1.00 0.00 C ATOM 1200 O LYS A 81 9.329 8.367 -11.183 1.00 0.00 O ATOM 1201 CB LYS A 81 6.821 7.923 -13.519 1.00 0.00 C ATOM 1202 CG LYS A 81 6.047 6.813 -14.209 1.00 0.00 C ATOM 1203 CD LYS A 81 6.272 6.825 -15.711 1.00 0.00 C ATOM 1204 CE LYS A 81 5.198 7.628 -16.430 1.00 0.00 C ATOM 1205 NZ LYS A 81 5.607 9.045 -16.632 1.00 0.00 N ATOM 0 H LYS A 81 7.669 6.193 -11.670 1.00 0.00 H new ATOM 0 HA LYS A 81 8.841 7.444 -14.083 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.296 8.208 -12.607 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.837 8.800 -14.166 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.352 5.849 -13.802 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.983 6.925 -13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.252 7.249 -15.930 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.276 5.802 -16.087 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.988 7.170 -17.396 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.273 7.596 -15.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.981 9.490 -17.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.538 9.558 -15.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.589 9.078 -16.974 1.00 0.00 H new ATOM 1219 N ASP A 82 8.932 9.844 -12.832 1.00 0.00 N ATOM 1220 CA ASP A 82 9.507 10.973 -12.110 1.00 0.00 C ATOM 1221 C ASP A 82 8.666 11.319 -10.885 1.00 0.00 C ATOM 1222 O ASP A 82 9.180 11.825 -9.888 1.00 0.00 O ATOM 1223 CB ASP A 82 9.619 12.191 -13.028 1.00 0.00 C ATOM 1224 CG ASP A 82 10.745 13.121 -12.621 1.00 0.00 C ATOM 1225 OD1 ASP A 82 11.896 12.878 -13.040 1.00 0.00 O ATOM 1226 OD2 ASP A 82 10.474 14.093 -11.885 1.00 0.00 O ATOM 0 H ASP A 82 8.574 10.075 -13.759 1.00 0.00 H new ATOM 0 HA ASP A 82 10.505 10.688 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.780 11.856 -14.053 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.677 12.739 -13.016 1.00 0.00 H new ATOM 1231 N GLY A 83 7.367 11.044 -10.968 1.00 0.00 N ATOM 1232 CA GLY A 83 6.475 11.335 -9.860 1.00 0.00 C ATOM 1233 C GLY A 83 5.499 10.207 -9.592 1.00 0.00 C ATOM 1234 O GLY A 83 4.329 10.448 -9.291 1.00 0.00 O ATOM 0 H GLY A 83 6.917 10.625 -11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.064 11.523 -8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.920 12.249 -10.074 1.00 0.00 H new ATOM 1238 N SER A 84 5.978 8.972 -9.701 1.00 0.00 N ATOM 1239 CA SER A 84 5.138 7.803 -9.473 1.00 0.00 C ATOM 1240 C SER A 84 5.958 6.645 -8.911 1.00 0.00 C ATOM 1241 O SER A 84 7.188 6.657 -8.965 1.00 0.00 O ATOM 1242 CB SER A 84 4.457 7.376 -10.775 1.00 0.00 C ATOM 1243 OG SER A 84 3.428 6.433 -10.528 1.00 0.00 O ATOM 0 H SER A 84 6.944 8.755 -9.946 1.00 0.00 H new ATOM 0 HA SER A 84 4.374 8.072 -8.743 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.041 8.251 -11.275 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.195 6.944 -11.451 1.00 0.00 H new ATOM 0 HG SER A 84 3.008 6.178 -11.376 1.00 0.00 H new ATOM 1249 N PHE A 85 5.267 5.646 -8.372 1.00 0.00 N ATOM 1250 CA PHE A 85 5.930 4.481 -7.798 1.00 0.00 C ATOM 1251 C PHE A 85 5.136 3.209 -8.082 1.00 0.00 C ATOM 1252 O PHE A 85 3.955 3.266 -8.427 1.00 0.00 O ATOM 1253 CB PHE A 85 6.106 4.659 -6.289 1.00 0.00 C ATOM 1254 CG PHE A 85 7.181 5.642 -5.923 1.00 0.00 C ATOM 1255 CD1 PHE A 85 8.516 5.274 -5.957 1.00 0.00 C ATOM 1256 CD2 PHE A 85 6.856 6.935 -5.544 1.00 0.00 C ATOM 1257 CE1 PHE A 85 9.508 6.176 -5.622 1.00 0.00 C ATOM 1258 CE2 PHE A 85 7.844 7.841 -5.208 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.171 7.461 -5.245 1.00 0.00 C ATOM 0 H PHE A 85 4.249 5.620 -8.321 1.00 0.00 H new ATOM 0 HA PHE A 85 6.912 4.388 -8.262 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.161 4.989 -5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.341 3.693 -5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.785 4.270 -6.249 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.820 7.238 -5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.545 5.876 -5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.578 8.846 -4.916 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.944 8.167 -4.980 1.00 0.00 H new ATOM 1269 N ILE A 86 5.793 2.063 -7.936 1.00 0.00 N ATOM 1270 CA ILE A 86 5.149 0.778 -8.176 1.00 0.00 C ATOM 1271 C ILE A 86 5.209 -0.107 -6.935 1.00 0.00 C ATOM 1272 O ILE A 86 6.244 -0.201 -6.276 1.00 0.00 O ATOM 1273 CB ILE A 86 5.802 0.033 -9.356 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.998 -1.222 -9.702 1.00 0.00 C ATOM 1275 CG2 ILE A 86 7.241 -0.328 -9.023 1.00 0.00 C ATOM 1276 CD1 ILE A 86 3.906 -0.979 -10.720 1.00 0.00 C ATOM 0 H ILE A 86 6.771 1.999 -7.653 1.00 0.00 H new ATOM 0 HA ILE A 86 4.108 0.987 -8.420 1.00 0.00 H new ATOM 0 HB ILE A 86 5.805 0.691 -10.225 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.677 -1.984 -10.084 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.552 -1.620 -8.791 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.689 -0.854 -9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.807 0.581 -8.821 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.261 -0.971 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.378 -1.912 -10.917 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.205 -0.240 -10.332 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.347 -0.610 -11.646 1.00 0.00 H new ATOM 1288 N VAL A 87 4.091 -0.756 -6.624 1.00 0.00 N ATOM 1289 CA VAL A 87 4.016 -1.636 -5.464 1.00 0.00 C ATOM 1290 C VAL A 87 4.106 -3.101 -5.879 1.00 0.00 C ATOM 1291 O VAL A 87 3.414 -3.539 -6.798 1.00 0.00 O ATOM 1292 CB VAL A 87 2.712 -1.416 -4.676 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.664 -2.324 -3.457 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.575 0.043 -4.269 1.00 0.00 C ATOM 0 H VAL A 87 3.225 -0.689 -7.159 1.00 0.00 H new ATOM 0 HA VAL A 87 4.864 -1.390 -4.824 1.00 0.00 H new ATOM 0 HB VAL A 87 1.871 -1.670 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.735 -2.154 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.712 -3.365 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.511 -2.105 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.648 0.180 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.420 0.326 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.559 0.670 -5.161 1.00 0.00 H new ATOM 1304 N ARG A 88 4.962 -3.852 -5.195 1.00 0.00 N ATOM 1305 CA ARG A 88 5.143 -5.268 -5.493 1.00 0.00 C ATOM 1306 C ARG A 88 5.081 -6.104 -4.218 1.00 0.00 C ATOM 1307 O ARG A 88 5.556 -5.682 -3.163 1.00 0.00 O ATOM 1308 CB ARG A 88 6.480 -5.496 -6.200 1.00 0.00 C ATOM 1309 CG ARG A 88 6.594 -4.774 -7.533 1.00 0.00 C ATOM 1310 CD ARG A 88 7.853 -5.184 -8.282 1.00 0.00 C ATOM 1311 NE ARG A 88 9.034 -4.477 -7.794 1.00 0.00 N ATOM 1312 CZ ARG A 88 10.273 -4.766 -8.176 1.00 0.00 C ATOM 1313 NH1 ARG A 88 10.492 -5.743 -9.045 1.00 0.00 N ATOM 1314 NH2 ARG A 88 11.297 -4.078 -7.687 1.00 0.00 N ATOM 0 H ARG A 88 5.541 -3.504 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 88 4.333 -5.581 -6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.288 -5.166 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.618 -6.565 -6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.718 -4.994 -8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.603 -3.697 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.004 -6.258 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.724 -4.983 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 88 8.900 -3.720 -7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.708 -6.275 -9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.445 -5.962 -9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.133 -3.326 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.248 -4.301 -7.981 1.00 0.00 H new ATOM 1328 N TYR A 89 4.493 -7.290 -4.323 1.00 0.00 N ATOM 1329 CA TYR A 89 4.366 -8.184 -3.178 1.00 0.00 C ATOM 1330 C TYR A 89 4.523 -9.641 -3.604 1.00 0.00 C ATOM 1331 O TYR A 89 4.172 -10.013 -4.724 1.00 0.00 O ATOM 1332 CB TYR A 89 3.012 -7.984 -2.495 1.00 0.00 C ATOM 1333 CG TYR A 89 1.876 -8.711 -3.178 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.535 -8.426 -4.494 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.143 -9.682 -2.506 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.497 -9.088 -5.122 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.105 -10.349 -3.126 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.215 -10.048 -4.434 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.249 -10.710 -5.055 1.00 0.00 O ATOM 0 H TYR A 89 4.097 -7.655 -5.189 1.00 0.00 H new ATOM 0 HA TYR A 89 5.161 -7.943 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.082 -8.325 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.784 -6.919 -2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.090 -7.674 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.389 -9.919 -1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.245 -8.855 -6.146 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.453 -11.102 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.553 -11.449 -4.487 1.00 0.00 H new ATOM 1349 N ARG A 90 5.052 -10.461 -2.702 1.00 0.00 N ATOM 1350 CA ARG A 90 5.256 -11.877 -2.983 1.00 0.00 C ATOM 1351 C ARG A 90 4.129 -12.717 -2.388 1.00 0.00 C ATOM 1352 O ARG A 90 3.789 -12.574 -1.214 1.00 0.00 O ATOM 1353 CB ARG A 90 6.602 -12.341 -2.425 1.00 0.00 C ATOM 1354 CG ARG A 90 7.000 -13.737 -2.876 1.00 0.00 C ATOM 1355 CD ARG A 90 7.997 -14.369 -1.917 1.00 0.00 C ATOM 1356 NE ARG A 90 9.320 -13.760 -2.023 1.00 0.00 N ATOM 1357 CZ ARG A 90 10.113 -13.903 -3.079 1.00 0.00 C ATOM 1358 NH1 ARG A 90 9.718 -14.632 -4.114 1.00 0.00 N ATOM 1359 NH2 ARG A 90 11.303 -13.318 -3.101 1.00 0.00 N ATOM 0 H ARG A 90 5.347 -10.169 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 90 5.254 -12.011 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.375 -11.636 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.562 -12.318 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.112 -14.365 -2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.435 -13.688 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.632 -14.267 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.072 -15.437 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 90 9.654 -13.194 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.804 -15.084 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.328 -14.741 -4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.610 -12.757 -2.306 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.911 -13.429 -3.913 1.00 0.00 H new ATOM 1373 N MET A 91 3.556 -13.593 -3.206 1.00 0.00 N ATOM 1374 CA MET A 91 2.469 -14.457 -2.760 1.00 0.00 C ATOM 1375 C MET A 91 2.147 -15.513 -3.812 1.00 0.00 C ATOM 1376 O MET A 91 2.182 -15.239 -5.012 1.00 0.00 O ATOM 1377 CB MET A 91 1.221 -13.626 -2.456 1.00 0.00 C ATOM 1378 CG MET A 91 0.305 -14.260 -1.422 1.00 0.00 C ATOM 1379 SD MET A 91 -0.738 -13.052 -0.583 1.00 0.00 S ATOM 1380 CE MET A 91 -1.737 -14.124 0.446 1.00 0.00 C ATOM 0 H MET A 91 3.826 -13.724 -4.181 1.00 0.00 H new ATOM 0 HA MET A 91 2.791 -14.963 -1.850 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.527 -12.641 -2.103 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.662 -13.474 -3.379 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.326 -15.003 -1.909 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.908 -14.788 -0.684 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.435 -13.522 1.028 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.294 -14.818 -0.184 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.091 -14.686 1.121 1.00 0.00 H new ATOM 1390 N TYR A 92 1.833 -16.720 -3.356 1.00 0.00 N ATOM 1391 CA TYR A 92 1.508 -17.818 -4.258 1.00 0.00 C ATOM 1392 C TYR A 92 0.224 -18.519 -3.823 1.00 0.00 C ATOM 1393 O TYR A 92 0.222 -19.718 -3.544 1.00 0.00 O ATOM 1394 CB TYR A 92 2.659 -18.824 -4.308 1.00 0.00 C ATOM 1395 CG TYR A 92 4.014 -18.183 -4.508 1.00 0.00 C ATOM 1396 CD1 TYR A 92 4.368 -17.626 -5.731 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.940 -18.134 -3.473 1.00 0.00 C ATOM 1398 CE1 TYR A 92 5.605 -17.041 -5.918 1.00 0.00 C ATOM 1399 CE2 TYR A 92 6.179 -17.549 -3.651 1.00 0.00 C ATOM 1400 CZ TYR A 92 6.507 -17.004 -4.875 1.00 0.00 C ATOM 1401 OH TYR A 92 7.740 -16.421 -5.057 1.00 0.00 O ATOM 0 H TYR A 92 1.797 -16.963 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 92 1.355 -17.402 -5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.671 -19.397 -3.381 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.478 -19.531 -5.117 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.664 -17.651 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.687 -18.560 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.865 -16.615 -6.876 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.887 -17.519 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 92 7.669 -15.707 -5.724 1.00 0.00 H new ATOM 1411 N ALA A 93 -0.866 -17.762 -3.767 1.00 0.00 N ATOM 1412 CA ALA A 93 -2.157 -18.309 -3.369 1.00 0.00 C ATOM 1413 C ALA A 93 -3.272 -17.288 -3.569 1.00 0.00 C ATOM 1414 O ALA A 93 -3.062 -16.086 -3.407 1.00 0.00 O ATOM 1415 CB ALA A 93 -2.112 -18.766 -1.918 1.00 0.00 C ATOM 0 H ALA A 93 -0.881 -16.767 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.370 -19.169 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.083 -19.172 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.349 -19.536 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.872 -17.918 -1.277 1.00 0.00 H new ATOM 1421 N SER A 94 -4.457 -17.774 -3.923 1.00 0.00 N ATOM 1422 CA SER A 94 -5.604 -16.903 -4.150 1.00 0.00 C ATOM 1423 C SER A 94 -5.725 -15.863 -3.039 1.00 0.00 C ATOM 1424 O SER A 94 -5.059 -15.960 -2.008 1.00 0.00 O ATOM 1425 CB SER A 94 -6.890 -17.728 -4.233 1.00 0.00 C ATOM 1426 OG SER A 94 -6.834 -18.651 -5.307 1.00 0.00 O ATOM 0 H SER A 94 -4.648 -18.767 -4.059 1.00 0.00 H new ATOM 0 HA SER A 94 -5.452 -16.383 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.043 -18.264 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.744 -17.064 -4.364 1.00 0.00 H new ATOM 0 HG SER A 94 -7.666 -19.167 -5.338 1.00 0.00 H new ATOM 1432 N TYR A 95 -6.579 -14.870 -3.257 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.787 -13.811 -2.277 1.00 0.00 C ATOM 1434 C TYR A 95 -8.261 -13.698 -1.901 1.00 0.00 C ATOM 1435 O TYR A 95 -9.011 -12.928 -2.503 1.00 0.00 O ATOM 1436 CB TYR A 95 -6.285 -12.474 -2.826 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.118 -12.610 -3.778 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -3.890 -13.088 -3.339 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -5.245 -12.262 -5.117 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -2.821 -13.213 -4.206 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -4.182 -12.385 -5.991 1.00 0.00 C ATOM 1442 CZ TYR A 95 -2.972 -12.861 -5.531 1.00 0.00 C ATOM 1443 OH TYR A 95 -1.911 -12.985 -6.397 1.00 0.00 O ATOM 0 H TYR A 95 -7.139 -14.776 -4.104 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.221 -14.064 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -7.105 -11.971 -3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.991 -11.836 -1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.768 -13.367 -2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.191 -11.889 -5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.872 -13.584 -3.848 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.298 -12.110 -7.029 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.246 -13.122 -7.308 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.671 -14.470 -0.901 1.00 0.00 N ATOM 1454 CA LYS A 96 -10.054 -14.457 -0.441 1.00 0.00 C ATOM 1455 C LYS A 96 -10.372 -13.158 0.293 1.00 0.00 C ATOM 1456 O LYS A 96 -11.465 -12.610 0.159 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.319 -15.652 0.478 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.755 -16.146 0.436 1.00 0.00 C ATOM 1459 CD LYS A 96 -11.889 -17.526 1.058 1.00 0.00 C ATOM 1460 CE LYS A 96 -11.936 -17.451 2.576 1.00 0.00 C ATOM 1461 NZ LYS A 96 -11.466 -18.715 3.208 1.00 0.00 N ATOM 0 H LYS A 96 -8.064 -15.113 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.701 -14.528 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.654 -16.469 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.069 -15.374 1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.398 -15.443 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.100 -16.177 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.795 -18.006 0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.049 -18.148 0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.317 -16.622 2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.956 -17.241 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.513 -18.624 4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.072 -19.503 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.484 -18.902 2.921 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.408 -12.671 1.068 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.585 -11.435 1.822 1.00 0.00 C ATOM 1477 C ASN A 97 -8.237 -10.834 2.205 1.00 0.00 C ATOM 1478 O ASN A 97 -7.413 -11.486 2.848 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.416 -11.696 3.081 1.00 0.00 C ATOM 1480 CG ASN A 97 -11.570 -12.645 2.825 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -12.703 -12.217 2.602 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -11.288 -13.942 2.857 1.00 0.00 N ATOM 0 H ASN A 97 -8.497 -13.113 1.190 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.113 -10.723 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.773 -12.111 3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.804 -10.750 3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.025 -14.628 2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.335 -14.252 3.046 1.00 0.00 H new ATOM 1489 N LEU A 98 -8.017 -9.586 1.806 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.769 -8.894 2.107 1.00 0.00 C ATOM 1491 C LEU A 98 -7.038 -7.489 2.635 1.00 0.00 C ATOM 1492 O LEU A 98 -8.119 -6.934 2.433 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.888 -8.822 0.858 1.00 0.00 C ATOM 1494 CG LEU A 98 -5.523 -10.161 0.217 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.765 -9.940 -1.083 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.701 -11.006 1.178 1.00 0.00 C ATOM 0 H LEU A 98 -8.687 -9.032 1.273 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.247 -9.458 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.398 -8.212 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.966 -8.303 1.118 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.445 -10.697 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.513 -10.904 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.388 -9.374 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.850 -9.384 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.450 -11.955 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.784 -10.476 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.279 -11.193 2.083 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.048 -6.916 3.312 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.175 -5.574 3.866 1.00 0.00 C ATOM 1510 C LYS A 99 -5.045 -4.674 3.378 1.00 0.00 C ATOM 1511 O LYS A 99 -3.872 -4.930 3.651 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.173 -5.629 5.396 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.834 -4.428 6.049 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.471 -4.324 7.521 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.092 -5.453 8.329 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.664 -5.416 9.754 1.00 0.00 N ATOM 0 H LYS A 99 -5.148 -7.361 3.490 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.122 -5.156 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.685 -6.535 5.719 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.144 -5.702 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.528 -3.518 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.916 -4.506 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.387 -4.349 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.810 -3.365 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.178 -5.384 8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.811 -6.411 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.109 -6.201 10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.629 -5.508 9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.954 -4.513 10.180 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.405 -3.618 2.655 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.421 -2.679 2.130 1.00 0.00 C ATOM 1532 C VAL A 100 -4.143 -1.560 3.128 1.00 0.00 C ATOM 1533 O VAL A 100 -5.042 -1.113 3.839 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.889 -2.060 0.800 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.746 -1.319 0.124 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -5.455 -3.134 -0.117 1.00 0.00 C ATOM 0 H VAL A 100 -6.371 -3.392 2.420 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.505 -3.244 1.957 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.680 -1.341 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.096 -0.888 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.391 -0.523 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.931 -2.014 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.781 -2.679 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.686 -3.878 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.304 -3.616 0.368 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.892 -1.114 3.175 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.496 -0.047 4.087 1.00 0.00 C ATOM 1548 C GLU A 101 -1.421 0.835 3.458 1.00 0.00 C ATOM 1549 O GLU A 101 -0.433 0.337 2.917 1.00 0.00 O ATOM 1550 CB GLU A 101 -1.983 -0.635 5.403 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.086 -0.948 6.400 1.00 0.00 C ATOM 1552 CD GLU A 101 -2.596 -1.781 7.569 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.594 -3.025 7.451 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -2.215 -1.190 8.601 1.00 0.00 O ATOM 0 H GLU A 101 -2.136 -1.474 2.593 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.373 0.567 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.427 -1.548 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.283 0.067 5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.508 -0.015 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.890 -1.480 5.892 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.622 2.146 3.533 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.670 3.098 2.973 1.00 0.00 C ATOM 1563 C ILE A 102 -0.524 4.322 3.869 1.00 0.00 C ATOM 1564 O ILE A 102 -1.465 5.097 4.039 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.094 3.554 1.564 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.606 2.363 0.751 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.070 4.227 0.853 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -3.095 2.133 0.889 1.00 0.00 C ATOM 0 H ILE A 102 -2.435 2.574 3.976 1.00 0.00 H new ATOM 0 HA ILE A 102 0.289 2.584 2.907 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.903 4.278 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.367 2.521 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.077 1.464 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.245 4.544 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.392 5.097 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.898 3.524 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.388 1.274 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.338 1.943 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.633 3.017 0.546 1.00 0.00 H new ATOM 1580 N LYS A 103 0.664 4.492 4.441 1.00 0.00 N ATOM 1581 CA LYS A 103 0.936 5.624 5.318 1.00 0.00 C ATOM 1582 C LYS A 103 2.209 6.349 4.891 1.00 0.00 C ATOM 1583 O LYS A 103 2.984 5.839 4.083 1.00 0.00 O ATOM 1584 CB LYS A 103 1.067 5.152 6.768 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.151 4.400 7.275 1.00 0.00 C ATOM 1586 CD LYS A 103 0.067 3.870 8.682 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.850 2.695 8.984 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.385 1.917 10.166 1.00 0.00 N ATOM 0 H LYS A 103 1.454 3.859 4.312 1.00 0.00 H new ATOM 0 HA LYS A 103 0.100 6.319 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.943 4.509 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.242 6.017 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.018 5.060 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.374 3.571 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.106 3.561 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.112 4.667 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.861 3.061 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.899 2.040 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.037 1.125 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.570 1.546 9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.363 2.535 11.002 1.00 0.00 H new ATOM 1602 N PHE A 104 2.418 7.541 5.441 1.00 0.00 N ATOM 1603 CA PHE A 104 3.597 8.336 5.117 1.00 0.00 C ATOM 1604 C PHE A 104 4.064 9.135 6.330 1.00 0.00 C ATOM 1605 O PHE A 104 3.342 9.994 6.835 1.00 0.00 O ATOM 1606 CB PHE A 104 3.296 9.283 3.954 1.00 0.00 C ATOM 1607 CG PHE A 104 4.121 10.538 3.973 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.362 10.576 3.358 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.656 11.679 4.607 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.124 11.729 3.374 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.413 12.835 4.626 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.649 12.860 4.010 1.00 0.00 C ATOM 0 H PHE A 104 1.787 7.977 6.113 1.00 0.00 H new ATOM 0 HA PHE A 104 4.395 7.654 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.469 8.758 3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.240 9.552 3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.738 9.694 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.691 11.665 5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.089 11.746 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.038 13.718 5.122 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.243 13.762 4.025 1.00 0.00 H new ATOM 1622 N GLN A 105 5.276 8.844 6.792 1.00 0.00 N ATOM 1623 CA GLN A 105 5.838 9.534 7.947 1.00 0.00 C ATOM 1624 C GLN A 105 4.817 9.628 9.076 1.00 0.00 C ATOM 1625 O GLN A 105 4.821 10.584 9.851 1.00 0.00 O ATOM 1626 CB GLN A 105 6.309 10.934 7.551 1.00 0.00 C ATOM 1627 CG GLN A 105 7.536 10.932 6.653 1.00 0.00 C ATOM 1628 CD GLN A 105 8.379 12.182 6.814 1.00 0.00 C ATOM 1629 OE1 GLN A 105 7.948 13.161 7.423 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.589 12.155 6.267 1.00 0.00 N ATOM 0 H GLN A 105 5.887 8.136 6.385 1.00 0.00 H new ATOM 0 HA GLN A 105 6.692 8.958 8.302 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.496 11.451 7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.531 11.503 8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.145 10.056 6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.221 10.842 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.906 11.322 5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.201 12.967 6.343 1.00 0.00 H new ATOM 1639 N GLY A 106 3.944 8.630 9.162 1.00 0.00 N ATOM 1640 CA GLY A 106 2.928 8.620 10.199 1.00 0.00 C ATOM 1641 C GLY A 106 1.676 9.371 9.792 1.00 0.00 C ATOM 1642 O GLY A 106 0.984 9.939 10.636 1.00 0.00 O ATOM 0 H GLY A 106 3.922 7.828 8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.668 7.589 10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.336 9.065 11.107 1.00 0.00 H new ATOM 1646 N GLN A 107 1.386 9.376 8.495 1.00 0.00 N ATOM 1647 CA GLN A 107 0.210 10.066 7.978 1.00 0.00 C ATOM 1648 C GLN A 107 -0.467 9.243 6.887 1.00 0.00 C ATOM 1649 O GLN A 107 0.087 9.053 5.804 1.00 0.00 O ATOM 1650 CB GLN A 107 0.599 11.440 7.430 1.00 0.00 C ATOM 1651 CG GLN A 107 1.175 12.374 8.482 1.00 0.00 C ATOM 1652 CD GLN A 107 1.687 13.673 7.892 1.00 0.00 C ATOM 1653 OE1 GLN A 107 0.911 14.578 7.587 1.00 0.00 O ATOM 1654 NE2 GLN A 107 3.002 13.771 7.728 1.00 0.00 N ATOM 0 H GLN A 107 1.949 8.910 7.783 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.495 10.197 8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.330 11.310 6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.280 11.906 6.984 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.409 12.594 9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.989 11.870 9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.608 12.995 7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.405 14.622 7.335 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.669 8.757 7.180 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.423 7.955 6.223 1.00 0.00 C ATOM 1665 C HIS A 108 -2.606 8.706 4.908 1.00 0.00 C ATOM 1666 O HIS A 108 -2.830 9.917 4.899 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.787 7.580 6.803 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.772 6.310 7.597 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.022 5.072 7.042 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.533 6.090 8.911 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -3.939 4.146 7.981 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.643 4.738 9.124 1.00 0.00 N ATOM 0 H HIS A 108 -2.142 8.904 8.072 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.857 7.045 6.025 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.138 8.392 7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.504 7.481 5.988 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.299 6.839 9.654 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.088 3.086 7.838 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.517 4.267 10.020 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.507 7.981 3.799 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.661 8.579 2.478 1.00 0.00 C ATOM 1683 C VAL A 109 -4.081 8.395 1.954 1.00 0.00 C ATOM 1684 O VAL A 109 -4.734 9.356 1.550 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.670 7.971 1.467 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.831 8.624 0.103 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.242 8.115 1.971 1.00 0.00 C ATOM 0 H VAL A 109 -2.321 6.978 3.789 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.451 9.643 2.586 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.889 6.908 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.123 8.182 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.847 8.465 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.639 9.694 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.446 7.681 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.008 9.171 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.139 7.597 2.924 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.553 7.152 1.964 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.897 6.842 1.492 1.00 0.00 C ATOM 1699 C ALA A 110 -6.798 6.413 2.645 1.00 0.00 C ATOM 1700 O ALA A 110 -6.398 6.454 3.808 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.845 5.756 0.428 1.00 0.00 C ATOM 0 H ALA A 110 -4.025 6.344 2.294 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.319 7.746 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.855 5.534 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.243 6.099 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.399 4.855 0.849 1.00 0.00 H new ATOM 1707 N LYS A 111 -8.018 6.003 2.315 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.978 5.566 3.322 1.00 0.00 C ATOM 1709 C LYS A 111 -8.633 4.170 3.832 1.00 0.00 C ATOM 1710 O LYS A 111 -9.487 3.285 3.873 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.394 5.573 2.744 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.121 6.894 2.932 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.899 6.922 4.236 1.00 0.00 C ATOM 1714 CE LYS A 111 -13.294 6.340 4.066 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.951 6.079 5.376 1.00 0.00 N ATOM 0 H LYS A 111 -8.366 5.964 1.357 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.931 6.262 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.344 5.344 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.973 4.779 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.400 7.712 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.803 7.057 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.358 6.357 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.973 7.949 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.906 7.029 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.233 5.411 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.899 5.683 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.381 5.402 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.033 6.970 5.907 1.00 0.00 H new ATOM 1729 N SER A 112 -7.376 3.981 4.222 1.00 0.00 N ATOM 1730 CA SER A 112 -6.919 2.692 4.728 1.00 0.00 C ATOM 1731 C SER A 112 -7.073 2.618 6.244 1.00 0.00 C ATOM 1732 O SER A 112 -7.194 3.632 6.932 1.00 0.00 O ATOM 1733 CB SER A 112 -5.457 2.459 4.341 1.00 0.00 C ATOM 1734 OG SER A 112 -5.361 1.767 3.108 1.00 0.00 O ATOM 0 H SER A 112 -6.657 4.704 4.197 1.00 0.00 H new ATOM 0 HA SER A 112 -7.536 1.913 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.940 3.416 4.266 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.957 1.887 5.123 1.00 0.00 H new ATOM 0 HG SER A 112 -6.213 1.833 2.629 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.067 1.388 6.779 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.923 0.174 5.970 1.00 0.00 C ATOM 1742 C PRO A 113 -8.153 -0.099 5.110 1.00 0.00 C ATOM 1743 O PRO A 113 -9.228 0.448 5.356 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.747 -0.930 7.016 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.410 -0.402 8.240 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.202 1.088 8.214 1.00 0.00 C ATOM 0 HA PRO A 113 -6.095 0.249 5.266 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.206 -1.863 6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.693 -1.140 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.472 -0.648 8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -6.977 -0.841 9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.044 1.619 8.658 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.312 1.379 8.771 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.987 -0.947 4.102 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.083 -1.291 3.204 1.00 0.00 C ATOM 1756 C TYR A 114 -9.571 -2.714 3.459 1.00 0.00 C ATOM 1757 O TYR A 114 -8.860 -3.683 3.190 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.642 -1.145 1.747 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.713 0.275 1.232 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.927 0.840 0.858 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.567 1.053 1.119 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.996 2.136 0.387 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.628 2.351 0.650 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.844 2.888 0.285 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.909 4.180 -0.184 1.00 0.00 O ATOM 0 H TYR A 114 -7.104 -1.409 3.886 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.906 -0.604 3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.619 -1.508 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.268 -1.781 1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.831 0.255 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.612 0.636 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.947 2.559 0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.728 2.942 0.570 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.839 4.404 -0.398 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.788 -2.831 3.978 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.372 -4.135 4.268 1.00 0.00 C ATOM 1777 C ILE A 115 -12.239 -4.619 3.110 1.00 0.00 C ATOM 1778 O ILE A 115 -13.371 -4.165 2.936 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.224 -4.097 5.551 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.474 -3.364 6.665 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.584 -5.509 5.988 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.183 -4.039 7.071 1.00 0.00 C ATOM 0 H ILE A 115 -11.389 -2.039 4.206 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.543 -4.827 4.412 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.146 -3.555 5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.255 -2.348 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.123 -3.285 7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.186 -5.467 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.152 -6.001 5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.672 -6.073 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.706 -3.464 7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.396 -5.046 7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.515 -4.094 6.211 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.701 -5.543 2.322 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.425 -6.091 1.181 1.00 0.00 C ATOM 1796 C LEU A 116 -12.657 -7.589 1.351 1.00 0.00 C ATOM 1797 O LEU A 116 -11.770 -8.400 1.083 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.654 -5.827 -0.113 1.00 0.00 C ATOM 1799 CG LEU A 116 -11.524 -4.362 -0.530 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -10.283 -3.738 0.090 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -11.484 -4.240 -2.046 1.00 0.00 C ATOM 0 H LEU A 116 -10.766 -5.928 2.452 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.394 -5.596 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.652 -6.244 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.142 -6.372 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.398 -3.822 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.207 -2.695 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.353 -3.791 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.398 -4.280 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.391 -3.190 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.629 -4.795 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.403 -4.647 -2.468 1.00 0.00 H new ATOM 1813 N LYS A 117 -13.856 -7.950 1.797 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.207 -9.351 2.000 1.00 0.00 C ATOM 1815 C LYS A 117 -15.510 -9.694 1.287 1.00 0.00 C ATOM 1816 O LYS A 117 -16.204 -8.812 0.782 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.336 -9.654 3.495 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.534 -8.986 4.149 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.828 -9.584 5.515 1.00 0.00 C ATOM 1820 CE LYS A 117 -17.098 -9.001 6.116 1.00 0.00 C ATOM 1821 NZ LYS A 117 -17.668 -9.885 7.171 1.00 0.00 N ATOM 0 H LYS A 117 -14.601 -7.292 2.025 1.00 0.00 H new ATOM 0 HA LYS A 117 -13.411 -9.964 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.411 -10.733 3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.428 -9.330 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.345 -7.917 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.408 -9.095 3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.929 -10.666 5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.988 -9.397 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.882 -8.021 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.837 -8.851 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.532 -9.453 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.898 -10.812 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.972 -10.007 7.934 1.00 0.00 H new ATOM 1835 N GLY A 118 -15.839 -10.982 1.249 1.00 0.00 N ATOM 1836 CA GLY A 118 -17.059 -11.418 0.596 1.00 0.00 C ATOM 1837 C GLY A 118 -16.818 -12.540 -0.394 1.00 0.00 C ATOM 1838 O GLY A 118 -15.673 -12.853 -0.720 1.00 0.00 O ATOM 0 H GLY A 118 -15.282 -11.731 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -17.772 -11.750 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.513 -10.573 0.079 1.00 0.00 H new ATOM 1842 N SER A 119 -17.899 -13.149 -0.871 1.00 0.00 N ATOM 1843 CA SER A 119 -17.799 -14.247 -1.826 1.00 0.00 C ATOM 1844 C SER A 119 -18.559 -13.922 -3.108 1.00 0.00 C ATOM 1845 O SER A 119 -19.511 -13.143 -3.099 1.00 0.00 O ATOM 1846 CB SER A 119 -18.343 -15.537 -1.209 1.00 0.00 C ATOM 1847 OG SER A 119 -17.651 -15.864 -0.017 1.00 0.00 O ATOM 0 H SER A 119 -18.854 -12.901 -0.612 1.00 0.00 H new ATOM 0 HA SER A 119 -16.747 -14.387 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 119 -19.406 -15.422 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 119 -18.248 -16.354 -1.924 1.00 0.00 H new ATOM 0 HG SER A 119 -18.019 -16.691 0.358 1.00 0.00 H new ATOM 1853 N GLY A 120 -18.130 -14.527 -4.212 1.00 0.00 N ATOM 1854 CA GLY A 120 -18.780 -14.291 -5.488 1.00 0.00 C ATOM 1855 C GLY A 120 -20.285 -14.456 -5.411 1.00 0.00 C ATOM 1856 O GLY A 120 -20.801 -15.324 -4.706 1.00 0.00 O ATOM 0 H GLY A 120 -17.344 -15.176 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -18.545 -13.283 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -18.379 -14.982 -6.230 1.00 0.00 H new ATOM 1860 N PRO A 121 -21.016 -13.606 -6.148 1.00 0.00 N ATOM 1861 CA PRO A 121 -22.481 -13.641 -6.176 1.00 0.00 C ATOM 1862 C PRO A 121 -23.018 -14.877 -6.891 1.00 0.00 C ATOM 1863 O PRO A 121 -23.923 -15.548 -6.396 1.00 0.00 O ATOM 1864 CB PRO A 121 -22.851 -12.374 -6.950 1.00 0.00 C ATOM 1865 CG PRO A 121 -21.662 -12.089 -7.801 1.00 0.00 C ATOM 1866 CD PRO A 121 -20.468 -12.547 -7.011 1.00 0.00 C ATOM 0 HA PRO A 121 -22.907 -13.685 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -23.744 -12.527 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -23.062 -11.545 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -21.727 -12.618 -8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -21.593 -11.026 -8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.678 -12.926 -7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -20.038 -11.734 -6.426 1.00 0.00 H new ATOM 1874 N SER A 122 -22.453 -15.173 -8.057 1.00 0.00 N ATOM 1875 CA SER A 122 -22.877 -16.327 -8.841 1.00 0.00 C ATOM 1876 C SER A 122 -21.951 -16.543 -10.034 1.00 0.00 C ATOM 1877 O SER A 122 -21.034 -15.757 -10.273 1.00 0.00 O ATOM 1878 CB SER A 122 -24.316 -16.140 -9.325 1.00 0.00 C ATOM 1879 OG SER A 122 -24.484 -14.878 -9.949 1.00 0.00 O ATOM 0 H SER A 122 -21.700 -14.630 -8.480 1.00 0.00 H new ATOM 0 HA SER A 122 -22.828 -17.208 -8.201 1.00 0.00 H new ATOM 0 HB2 SER A 122 -24.573 -16.933 -10.027 1.00 0.00 H new ATOM 0 HB3 SER A 122 -25.001 -16.226 -8.481 1.00 0.00 H new ATOM 0 HG SER A 122 -25.411 -14.783 -10.251 1.00 0.00 H new ATOM 1885 N SER A 123 -22.198 -17.615 -10.780 1.00 0.00 N ATOM 1886 CA SER A 123 -21.385 -17.939 -11.946 1.00 0.00 C ATOM 1887 C SER A 123 -22.167 -17.705 -13.235 1.00 0.00 C ATOM 1888 O SER A 123 -23.379 -17.906 -13.284 1.00 0.00 O ATOM 1889 CB SER A 123 -20.914 -19.393 -11.879 1.00 0.00 C ATOM 1890 OG SER A 123 -22.003 -20.289 -12.014 1.00 0.00 O ATOM 0 H SER A 123 -22.955 -18.274 -10.597 1.00 0.00 H new ATOM 0 HA SER A 123 -20.515 -17.283 -11.945 1.00 0.00 H new ATOM 0 HB2 SER A 123 -20.186 -19.579 -12.668 1.00 0.00 H new ATOM 0 HB3 SER A 123 -20.408 -19.571 -10.930 1.00 0.00 H new ATOM 0 HG SER A 123 -21.675 -21.211 -11.970 1.00 0.00 H new ATOM 1896 N GLY A 124 -21.461 -17.279 -14.279 1.00 0.00 N ATOM 1897 CA GLY A 124 -22.105 -17.024 -15.555 1.00 0.00 C ATOM 1898 C GLY A 124 -21.167 -17.227 -16.728 1.00 0.00 C ATOM 1899 O GLY A 124 -20.492 -16.293 -17.160 1.00 0.00 O ATOM 0 H GLY A 124 -20.456 -17.106 -14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -22.965 -17.685 -15.663 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -22.484 -16.002 -15.569 1.00 0.00 H new TER 1903 GLY A 124