USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 696 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 71 THR OG1 : rot 51:sc= 0.964 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 72 CYS SG : rot -129:sc= -1.03 USER MOD Set 2.2: A 75 CYS SG : rot 180:sc= -2.32 USER MOD Set 2.3: A 88 HIS : no HD1:sc= 0.51 K(o=-4.5,f=-10!) USER MOD Set 2.4: A 89 GLN : amide:sc= 0.14 X(o=-4.5,f=-4.7) USER MOD Set 2.5: A 93 HIS : no HD1:sc= -1.8! K(o=-4.5!,f=-3.5) USER MOD Set 3.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 45 CYS SG : rot -27:sc= -1.4 USER MOD Set 4.2: A 48 CYS SG : rot 42:sc= -2.84! USER MOD Set 4.3: A 61 HIS : no HD1:sc= -0.728 K(o=-5.3,f=-11!) USER MOD Set 4.4: A 65 CYS SG : rot 50:sc= -0.361 USER MOD Set 5.1: A 19 CYS SG : rot 70:sc= -0.207 USER MOD Set 5.2: A 22 CYS SG : rot -40:sc= 0.501 USER MOD Set 5.3: A 35 HIS : no HD1:sc= -0.856 K(o=-1.5,f=-2.3) USER MOD Set 5.4: A 39 CYS SG : rot -39:sc= -0.952 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0407 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 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0395 X(o=-0.039,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 21:sc= 1.12 USER MOD Single : A 32 GLN : amide:sc= 0.301 K(o=0.3,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.01! C(o=-2!,f=-3.5!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 91:sc= 0.0013 USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -1.42 (180deg=-1.51) USER MOD Single : A 59 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.7!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= -3.96! (180deg=-6.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 156:sc= -0.204 (180deg=-0.904) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.158 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 140:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.64) USER MOD Single : A 95 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.76) USER MOD Single : A 96 ASN : amide:sc= 0.524 K(o=0.52,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -49.143 -43.640 8.871 1.00 0.00 N ATOM 9 CA SER A 2 -47.970 -42.809 9.119 1.00 0.00 C ATOM 10 C SER A 2 -47.849 -41.713 8.065 1.00 0.00 C ATOM 11 O SER A 2 -48.637 -41.653 7.121 1.00 0.00 O ATOM 12 CB SER A 2 -46.703 -43.667 9.127 1.00 0.00 C ATOM 13 OG SER A 2 -45.603 -42.947 9.655 1.00 0.00 O ATOM 0 HA SER A 2 -48.088 -42.339 10.095 1.00 0.00 H new ATOM 0 HB2 SER A 2 -46.872 -44.565 9.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -46.475 -43.994 8.112 1.00 0.00 H new ATOM 0 HG SER A 2 -44.806 -43.518 9.651 1.00 0.00 H new ATOM 19 N SER A 3 -46.855 -40.847 8.233 1.00 0.00 N ATOM 20 CA SER A 3 -46.631 -39.749 7.300 1.00 0.00 C ATOM 21 C SER A 3 -45.250 -39.134 7.505 1.00 0.00 C ATOM 22 O SER A 3 -44.751 -39.062 8.627 1.00 0.00 O ATOM 23 CB SER A 3 -47.709 -38.677 7.472 1.00 0.00 C ATOM 24 OG SER A 3 -47.823 -38.281 8.828 1.00 0.00 O ATOM 0 H SER A 3 -46.192 -40.884 9.007 1.00 0.00 H new ATOM 0 HA SER A 3 -46.685 -40.150 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 3 -47.467 -37.811 6.856 1.00 0.00 H new ATOM 0 HB3 SER A 3 -48.667 -39.060 7.120 1.00 0.00 H new ATOM 0 HG SER A 3 -48.517 -37.594 8.911 1.00 0.00 H new ATOM 30 N GLY A 4 -44.637 -38.693 6.410 1.00 0.00 N ATOM 31 CA GLY A 4 -43.319 -38.091 6.490 1.00 0.00 C ATOM 32 C GLY A 4 -43.221 -36.803 5.696 1.00 0.00 C ATOM 33 O GLY A 4 -44.206 -36.347 5.117 1.00 0.00 O ATOM 0 H GLY A 4 -45.030 -38.742 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -43.077 -37.890 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -42.577 -38.799 6.121 1.00 0.00 H new ATOM 37 N SER A 5 -42.029 -36.216 5.669 1.00 0.00 N ATOM 38 CA SER A 5 -41.807 -34.970 4.944 1.00 0.00 C ATOM 39 C SER A 5 -40.322 -34.621 4.906 1.00 0.00 C ATOM 40 O SER A 5 -39.626 -34.710 5.918 1.00 0.00 O ATOM 41 CB SER A 5 -42.594 -33.830 5.593 1.00 0.00 C ATOM 42 OG SER A 5 -42.765 -32.751 4.691 1.00 0.00 O ATOM 0 H SER A 5 -41.202 -36.583 6.140 1.00 0.00 H new ATOM 0 HA SER A 5 -42.157 -35.107 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 5 -43.569 -34.195 5.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 -42.071 -33.484 6.484 1.00 0.00 H new ATOM 0 HG SER A 5 -43.272 -32.036 5.129 1.00 0.00 H new ATOM 48 N SER A 6 -39.844 -34.222 3.732 1.00 0.00 N ATOM 49 CA SER A 6 -38.442 -33.862 3.560 1.00 0.00 C ATOM 50 C SER A 6 -38.231 -33.108 2.251 1.00 0.00 C ATOM 51 O SER A 6 -38.845 -33.424 1.232 1.00 0.00 O ATOM 52 CB SER A 6 -37.565 -35.116 3.585 1.00 0.00 C ATOM 53 OG SER A 6 -36.192 -34.776 3.666 1.00 0.00 O ATOM 0 H SER A 6 -40.407 -34.140 2.886 1.00 0.00 H new ATOM 0 HA SER A 6 -38.156 -33.210 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 -37.840 -35.739 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 6 -37.744 -35.707 2.687 1.00 0.00 H new ATOM 0 HG SER A 6 -35.653 -35.594 3.682 1.00 0.00 H new ATOM 59 N GLY A 7 -37.357 -32.106 2.286 1.00 0.00 N ATOM 60 CA GLY A 7 -37.081 -31.320 1.097 1.00 0.00 C ATOM 61 C GLY A 7 -35.610 -30.979 0.957 1.00 0.00 C ATOM 62 O GLY A 7 -34.745 -31.814 1.221 1.00 0.00 O ATOM 0 H GLY A 7 -36.835 -31.825 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -37.408 -31.872 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -37.663 -30.399 1.131 1.00 0.00 H new ATOM 66 N ALA A 8 -35.327 -29.750 0.539 1.00 0.00 N ATOM 67 CA ALA A 8 -33.951 -29.301 0.365 1.00 0.00 C ATOM 68 C ALA A 8 -33.891 -27.796 0.126 1.00 0.00 C ATOM 69 O ALA A 8 -34.877 -27.184 -0.286 1.00 0.00 O ATOM 70 CB ALA A 8 -33.295 -30.047 -0.788 1.00 0.00 C ATOM 0 H ALA A 8 -36.032 -29.048 0.315 1.00 0.00 H new ATOM 0 HA ALA A 8 -33.404 -29.519 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -32.268 -29.702 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -33.297 -31.116 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -33.850 -29.858 -1.707 1.00 0.00 H new ATOM 76 N SER A 9 -32.729 -27.206 0.387 1.00 0.00 N ATOM 77 CA SER A 9 -32.543 -25.771 0.205 1.00 0.00 C ATOM 78 C SER A 9 -31.621 -25.489 -0.978 1.00 0.00 C ATOM 79 O SER A 9 -30.435 -25.201 -0.819 1.00 0.00 O ATOM 80 CB SER A 9 -31.966 -25.145 1.476 1.00 0.00 C ATOM 81 OG SER A 9 -32.901 -25.196 2.539 1.00 0.00 O ATOM 0 H SER A 9 -31.903 -27.699 0.725 1.00 0.00 H new ATOM 0 HA SER A 9 -33.517 -25.326 -0.001 1.00 0.00 H new ATOM 0 HB2 SER A 9 -31.055 -25.671 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 9 -31.688 -24.109 1.281 1.00 0.00 H new ATOM 0 HG SER A 9 -32.508 -24.791 3.340 1.00 0.00 H new ATOM 87 N PRO A 10 -32.179 -25.575 -2.195 1.00 0.00 N ATOM 88 CA PRO A 10 -31.426 -25.332 -3.429 1.00 0.00 C ATOM 89 C PRO A 10 -31.047 -23.865 -3.598 1.00 0.00 C ATOM 90 O PRO A 10 -31.557 -22.996 -2.891 1.00 0.00 O ATOM 91 CB PRO A 10 -32.400 -25.763 -4.529 1.00 0.00 C ATOM 92 CG PRO A 10 -33.751 -25.604 -3.922 1.00 0.00 C ATOM 93 CD PRO A 10 -33.587 -25.914 -2.460 1.00 0.00 C ATOM 0 HA PRO A 10 -30.480 -25.873 -3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -32.291 -25.144 -5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -32.222 -26.794 -4.834 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -34.127 -24.591 -4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -34.469 -26.280 -4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -34.265 -25.322 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -33.795 -26.962 -2.246 1.00 0.00 H new ATOM 101 N VAL A 11 -30.148 -23.595 -4.540 1.00 0.00 N ATOM 102 CA VAL A 11 -29.702 -22.232 -4.803 1.00 0.00 C ATOM 103 C VAL A 11 -29.536 -21.987 -6.299 1.00 0.00 C ATOM 104 O VAL A 11 -29.098 -22.869 -7.037 1.00 0.00 O ATOM 105 CB VAL A 11 -28.368 -21.932 -4.093 1.00 0.00 C ATOM 106 CG1 VAL A 11 -28.554 -21.934 -2.584 1.00 0.00 C ATOM 107 CG2 VAL A 11 -27.305 -22.937 -4.509 1.00 0.00 C ATOM 0 H VAL A 11 -29.715 -24.302 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 11 -30.471 -21.566 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 11 -28.033 -20.939 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -27.601 -21.720 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -29.281 -21.171 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -28.913 -22.912 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -26.370 -22.710 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -27.630 -23.942 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -27.153 -22.880 -5.587 1.00 0.00 H new ATOM 117 N GLU A 12 -29.888 -20.783 -6.738 1.00 0.00 N ATOM 118 CA GLU A 12 -29.778 -20.423 -8.147 1.00 0.00 C ATOM 119 C GLU A 12 -28.673 -19.392 -8.360 1.00 0.00 C ATOM 120 O GLU A 12 -28.609 -18.382 -7.661 1.00 0.00 O ATOM 121 CB GLU A 12 -31.110 -19.873 -8.662 1.00 0.00 C ATOM 122 CG GLU A 12 -31.461 -18.505 -8.100 1.00 0.00 C ATOM 123 CD GLU A 12 -32.912 -18.133 -8.336 1.00 0.00 C ATOM 124 OE1 GLU A 12 -33.355 -18.185 -9.503 1.00 0.00 O ATOM 125 OE2 GLU A 12 -33.604 -17.789 -7.355 1.00 0.00 O ATOM 0 H GLU A 12 -30.251 -20.041 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 12 -29.525 -21.323 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -31.072 -19.811 -9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -31.905 -20.575 -8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -31.256 -18.492 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -30.818 -17.753 -8.557 1.00 0.00 H new ATOM 199 N TYR A 17 -21.634 -7.983 -10.551 1.00 0.00 N ATOM 200 CA TYR A 17 -20.458 -7.276 -11.047 1.00 0.00 C ATOM 201 C TYR A 17 -19.371 -7.211 -9.979 1.00 0.00 C ATOM 202 O TYR A 17 -19.465 -6.433 -9.030 1.00 0.00 O ATOM 203 CB TYR A 17 -20.837 -5.863 -11.493 1.00 0.00 C ATOM 204 CG TYR A 17 -21.992 -5.824 -12.468 1.00 0.00 C ATOM 205 CD1 TYR A 17 -22.228 -6.881 -13.338 1.00 0.00 C ATOM 206 CD2 TYR A 17 -22.847 -4.730 -12.518 1.00 0.00 C ATOM 207 CE1 TYR A 17 -23.281 -6.850 -14.231 1.00 0.00 C ATOM 208 CE2 TYR A 17 -23.904 -4.691 -13.407 1.00 0.00 C ATOM 209 CZ TYR A 17 -24.117 -5.752 -14.262 1.00 0.00 C ATOM 210 OH TYR A 17 -25.168 -5.718 -15.149 1.00 0.00 O ATOM 0 HA TYR A 17 -20.068 -7.827 -11.903 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -21.094 -5.271 -10.615 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.969 -5.391 -11.953 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -21.577 -7.742 -13.316 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -22.683 -3.897 -11.851 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -23.449 -7.680 -14.901 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -24.560 -3.834 -13.432 1.00 0.00 H new ATOM 0 HH TYR A 17 -25.659 -4.877 -15.042 1.00 0.00 H new ATOM 220 N GLN A 18 -18.340 -8.034 -10.142 1.00 0.00 N ATOM 221 CA GLN A 18 -17.234 -8.070 -9.193 1.00 0.00 C ATOM 222 C GLN A 18 -16.091 -7.173 -9.654 1.00 0.00 C ATOM 223 O GLN A 18 -15.965 -6.870 -10.841 1.00 0.00 O ATOM 224 CB GLN A 18 -16.733 -9.505 -9.016 1.00 0.00 C ATOM 225 CG GLN A 18 -17.369 -10.231 -7.842 1.00 0.00 C ATOM 226 CD GLN A 18 -17.423 -11.732 -8.044 1.00 0.00 C ATOM 227 OE1 GLN A 18 -18.356 -12.255 -8.653 1.00 0.00 O ATOM 228 NE2 GLN A 18 -16.419 -12.435 -7.532 1.00 0.00 N ATOM 0 H GLN A 18 -18.248 -8.685 -10.922 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.598 -7.699 -8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.931 -10.065 -9.930 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.652 -9.489 -8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.806 -10.010 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.380 -9.852 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.666 -11.960 -7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.401 -13.449 -7.636 1.00 0.00 H new ATOM 237 N CYS A 19 -15.259 -6.749 -8.708 1.00 0.00 N ATOM 238 CA CYS A 19 -14.126 -5.885 -9.016 1.00 0.00 C ATOM 239 C CYS A 19 -12.962 -6.695 -9.579 1.00 0.00 C ATOM 240 O CYS A 19 -12.607 -7.746 -9.043 1.00 0.00 O ATOM 241 CB CYS A 19 -13.678 -5.130 -7.763 1.00 0.00 C ATOM 242 SG CYS A 19 -12.275 -4.002 -8.037 1.00 0.00 S ATOM 0 H CYS A 19 -15.349 -6.990 -7.721 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.444 -5.166 -9.771 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.521 -4.557 -7.376 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -13.404 -5.853 -6.995 1.00 0.00 H new ATOM 0 HG CYS A 19 -12.664 -2.993 -8.759 1.00 0.00 H new ATOM 247 N ARG A 20 -12.371 -6.199 -10.661 1.00 0.00 N ATOM 248 CA ARG A 20 -11.248 -6.877 -11.297 1.00 0.00 C ATOM 249 C ARG A 20 -9.971 -6.694 -10.482 1.00 0.00 C ATOM 250 O ARG A 20 -8.874 -7.005 -10.949 1.00 0.00 O ATOM 251 CB ARG A 20 -11.041 -6.345 -12.716 1.00 0.00 C ATOM 252 CG ARG A 20 -12.337 -6.131 -13.481 1.00 0.00 C ATOM 253 CD ARG A 20 -12.141 -6.333 -14.976 1.00 0.00 C ATOM 254 NE ARG A 20 -13.115 -5.581 -15.762 1.00 0.00 N ATOM 255 CZ ARG A 20 -12.985 -4.291 -16.053 1.00 0.00 C ATOM 256 NH1 ARG A 20 -11.929 -3.614 -15.625 1.00 0.00 N ATOM 257 NH2 ARG A 20 -13.914 -3.676 -16.774 1.00 0.00 N ATOM 0 H ARG A 20 -12.651 -5.330 -11.116 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.478 -7.941 -11.346 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.499 -5.401 -12.666 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.414 -7.044 -13.269 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.095 -6.823 -13.115 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.709 -5.124 -13.294 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.134 -6.023 -15.255 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.225 -7.394 -15.213 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.940 -6.072 -16.106 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.213 -4.083 -15.070 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.832 -2.624 -15.850 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.728 -4.194 -17.105 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.814 -2.686 -16.997 1.00 0.00 H new ATOM 271 N LEU A 21 -10.120 -6.187 -9.264 1.00 0.00 N ATOM 272 CA LEU A 21 -8.979 -5.961 -8.384 1.00 0.00 C ATOM 273 C LEU A 21 -9.115 -6.771 -7.098 1.00 0.00 C ATOM 274 O LEU A 21 -8.201 -7.500 -6.711 1.00 0.00 O ATOM 275 CB LEU A 21 -8.852 -4.474 -8.052 1.00 0.00 C ATOM 276 CG LEU A 21 -8.926 -3.512 -9.239 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.848 -2.070 -8.764 1.00 0.00 C ATOM 278 CD2 LEU A 21 -7.815 -3.808 -10.235 1.00 0.00 C ATOM 0 H LEU A 21 -11.020 -5.924 -8.863 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.079 -6.288 -8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.641 -4.211 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.902 -4.316 -7.541 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.884 -3.656 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.902 -1.401 -9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.679 -1.864 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.906 -1.910 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.883 -3.114 -11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.848 -3.693 -9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.917 -4.830 -10.601 1.00 0.00 H new ATOM 290 N CYS A 22 -10.262 -6.640 -6.441 1.00 0.00 N ATOM 291 CA CYS A 22 -10.520 -7.359 -5.199 1.00 0.00 C ATOM 292 C CYS A 22 -11.705 -8.308 -5.357 1.00 0.00 C ATOM 293 O CYS A 22 -12.256 -8.797 -4.372 1.00 0.00 O ATOM 294 CB CYS A 22 -10.789 -6.374 -4.060 1.00 0.00 C ATOM 295 SG CYS A 22 -12.147 -5.206 -4.393 1.00 0.00 S ATOM 0 H CYS A 22 -11.029 -6.042 -6.748 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.635 -7.947 -4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -11.021 -6.936 -3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.879 -5.809 -3.860 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.091 -4.817 -5.632 1.00 0.00 H new ATOM 300 N ASN A 23 -12.090 -8.564 -6.603 1.00 0.00 N ATOM 301 CA ASN A 23 -13.209 -9.453 -6.890 1.00 0.00 C ATOM 302 C ASN A 23 -14.321 -9.279 -5.859 1.00 0.00 C ATOM 303 O ASN A 23 -14.783 -10.249 -5.260 1.00 0.00 O ATOM 304 CB ASN A 23 -12.739 -10.909 -6.908 1.00 0.00 C ATOM 305 CG ASN A 23 -11.842 -11.213 -8.092 1.00 0.00 C ATOM 306 OD1 ASN A 23 -10.623 -11.311 -7.953 1.00 0.00 O ATOM 307 ND2 ASN A 23 -12.444 -11.362 -9.267 1.00 0.00 N ATOM 0 H ASN A 23 -11.643 -8.168 -7.430 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.604 -9.193 -7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.203 -11.126 -5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.607 -11.568 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.892 -11.566 -10.100 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.458 -11.272 -9.336 1.00 0.00 H new ATOM 314 N ALA A 24 -14.745 -8.036 -5.659 1.00 0.00 N ATOM 315 CA ALA A 24 -15.804 -7.734 -4.704 1.00 0.00 C ATOM 316 C ALA A 24 -17.121 -7.450 -5.417 1.00 0.00 C ATOM 317 O ALA A 24 -17.172 -6.661 -6.360 1.00 0.00 O ATOM 318 CB ALA A 24 -15.407 -6.552 -3.832 1.00 0.00 C ATOM 0 H ALA A 24 -14.371 -7.221 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.947 -8.608 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.207 -6.338 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.494 -6.792 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.235 -5.678 -4.460 1.00 0.00 H new ATOM 324 N LYS A 25 -18.187 -8.098 -4.959 1.00 0.00 N ATOM 325 CA LYS A 25 -19.507 -7.915 -5.552 1.00 0.00 C ATOM 326 C LYS A 25 -19.981 -6.475 -5.390 1.00 0.00 C ATOM 327 O LYS A 25 -20.114 -5.976 -4.272 1.00 0.00 O ATOM 328 CB LYS A 25 -20.515 -8.871 -4.909 1.00 0.00 C ATOM 329 CG LYS A 25 -20.255 -10.333 -5.228 1.00 0.00 C ATOM 330 CD LYS A 25 -21.336 -11.230 -4.648 1.00 0.00 C ATOM 331 CE LYS A 25 -21.044 -12.699 -4.914 1.00 0.00 C ATOM 332 NZ LYS A 25 -22.210 -13.565 -4.586 1.00 0.00 N ATOM 0 H LYS A 25 -18.163 -8.755 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.434 -8.137 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.494 -8.734 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.518 -8.607 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.210 -10.468 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.284 -10.627 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.412 -11.062 -3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.301 -10.966 -5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.777 -12.832 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.183 -13.011 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.971 -14.558 -4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.450 -13.458 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.025 -13.285 -5.168 1.00 0.00 H new ATOM 346 N LEU A 26 -20.238 -5.812 -6.512 1.00 0.00 N ATOM 347 CA LEU A 26 -20.700 -4.428 -6.495 1.00 0.00 C ATOM 348 C LEU A 26 -22.220 -4.363 -6.395 1.00 0.00 C ATOM 349 O LEU A 26 -22.887 -5.387 -6.252 1.00 0.00 O ATOM 350 CB LEU A 26 -20.227 -3.696 -7.752 1.00 0.00 C ATOM 351 CG LEU A 26 -18.863 -3.012 -7.659 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.713 -2.301 -6.322 1.00 0.00 C ATOM 353 CD2 LEU A 26 -17.744 -4.024 -7.855 1.00 0.00 C ATOM 0 H LEU A 26 -20.134 -6.210 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.276 -3.940 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -20.197 -4.411 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.971 -2.943 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.796 -2.268 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.736 -1.820 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.494 -1.548 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.801 -3.026 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.781 -3.519 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -17.808 -4.791 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.841 -4.488 -8.837 1.00 0.00 H new ATOM 365 N SER A 27 -22.762 -3.151 -6.475 1.00 0.00 N ATOM 366 CA SER A 27 -24.204 -2.952 -6.392 1.00 0.00 C ATOM 367 C SER A 27 -24.786 -2.619 -7.762 1.00 0.00 C ATOM 368 O SER A 27 -26.002 -2.635 -7.953 1.00 0.00 O ATOM 369 CB SER A 27 -24.529 -1.832 -5.401 1.00 0.00 C ATOM 370 OG SER A 27 -25.802 -2.029 -4.809 1.00 0.00 O ATOM 0 H SER A 27 -22.224 -2.293 -6.597 1.00 0.00 H new ATOM 0 HA SER A 27 -24.655 -3.880 -6.041 1.00 0.00 H new ATOM 0 HB2 SER A 27 -23.765 -1.796 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.508 -0.871 -5.914 1.00 0.00 H new ATOM 0 HG SER A 27 -25.986 -1.301 -4.179 1.00 0.00 H new ATOM 376 N SER A 28 -23.908 -2.317 -8.714 1.00 0.00 N ATOM 377 CA SER A 28 -24.333 -1.976 -10.066 1.00 0.00 C ATOM 378 C SER A 28 -23.128 -1.763 -10.977 1.00 0.00 C ATOM 379 O SER A 28 -21.999 -1.614 -10.508 1.00 0.00 O ATOM 380 CB SER A 28 -25.202 -0.717 -10.048 1.00 0.00 C ATOM 381 OG SER A 28 -26.553 -1.033 -9.758 1.00 0.00 O ATOM 0 H SER A 28 -22.898 -2.302 -8.573 1.00 0.00 H new ATOM 0 HA SER A 28 -24.919 -2.808 -10.457 1.00 0.00 H new ATOM 0 HB2 SER A 28 -24.821 -0.019 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 28 -25.142 -0.216 -11.014 1.00 0.00 H new ATOM 0 HG SER A 28 -26.597 -1.904 -9.312 1.00 0.00 H new ATOM 387 N LEU A 29 -23.376 -1.750 -12.282 1.00 0.00 N ATOM 388 CA LEU A 29 -22.312 -1.555 -13.261 1.00 0.00 C ATOM 389 C LEU A 29 -21.505 -0.299 -12.946 1.00 0.00 C ATOM 390 O LEU A 29 -20.282 -0.283 -13.086 1.00 0.00 O ATOM 391 CB LEU A 29 -22.900 -1.457 -14.670 1.00 0.00 C ATOM 392 CG LEU A 29 -22.001 -1.940 -15.808 1.00 0.00 C ATOM 393 CD1 LEU A 29 -21.794 -3.444 -15.723 1.00 0.00 C ATOM 394 CD2 LEU A 29 -22.593 -1.556 -17.156 1.00 0.00 C ATOM 0 H LEU A 29 -24.304 -1.872 -12.687 1.00 0.00 H new ATOM 0 HA LEU A 29 -21.645 -2.415 -13.211 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -23.826 -2.032 -14.696 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -23.165 -0.417 -14.860 1.00 0.00 H new ATOM 0 HG LEU A 29 -21.030 -1.454 -15.709 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -21.152 -3.770 -16.541 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -21.324 -3.693 -14.771 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -22.757 -3.949 -15.795 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -21.939 -1.908 -17.954 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -23.577 -2.013 -17.265 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -22.688 -0.472 -17.216 1.00 0.00 H new ATOM 406 N LEU A 30 -22.197 0.750 -12.517 1.00 0.00 N ATOM 407 CA LEU A 30 -21.545 2.010 -12.179 1.00 0.00 C ATOM 408 C LEU A 30 -20.581 1.829 -11.012 1.00 0.00 C ATOM 409 O LEU A 30 -19.405 2.180 -11.105 1.00 0.00 O ATOM 410 CB LEU A 30 -22.591 3.071 -11.831 1.00 0.00 C ATOM 411 CG LEU A 30 -22.160 4.526 -12.021 1.00 0.00 C ATOM 412 CD1 LEU A 30 -22.286 4.933 -13.481 1.00 0.00 C ATOM 413 CD2 LEU A 30 -22.987 5.447 -11.136 1.00 0.00 C ATOM 0 H LEU A 30 -23.210 0.753 -12.395 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.976 2.340 -13.048 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -23.477 2.893 -12.441 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.887 2.933 -10.791 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.114 4.616 -11.728 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.975 5.971 -13.597 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.651 4.293 -14.093 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -23.323 4.827 -13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.667 6.478 -11.284 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.041 5.353 -11.398 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.847 5.170 -10.091 1.00 0.00 H new ATOM 425 N GLU A 31 -21.086 1.275 -9.914 1.00 0.00 N ATOM 426 CA GLU A 31 -20.268 1.045 -8.729 1.00 0.00 C ATOM 427 C GLU A 31 -18.962 0.348 -9.096 1.00 0.00 C ATOM 428 O GLU A 31 -17.930 0.569 -8.463 1.00 0.00 O ATOM 429 CB GLU A 31 -21.037 0.206 -7.706 1.00 0.00 C ATOM 430 CG GLU A 31 -20.672 0.518 -6.264 1.00 0.00 C ATOM 431 CD GLU A 31 -21.683 -0.029 -5.275 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.779 0.558 -5.162 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.378 -1.044 -4.614 1.00 0.00 O ATOM 0 H GLU A 31 -22.057 0.977 -9.821 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.031 2.014 -8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.106 0.369 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.848 -0.850 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.690 0.100 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.594 1.598 -6.138 1.00 0.00 H new ATOM 440 N GLN A 32 -19.015 -0.493 -10.124 1.00 0.00 N ATOM 441 CA GLN A 32 -17.837 -1.224 -10.575 1.00 0.00 C ATOM 442 C GLN A 32 -16.839 -0.285 -11.246 1.00 0.00 C ATOM 443 O GLN A 32 -15.651 -0.296 -10.927 1.00 0.00 O ATOM 444 CB GLN A 32 -18.240 -2.336 -11.544 1.00 0.00 C ATOM 445 CG GLN A 32 -17.112 -3.303 -11.865 1.00 0.00 C ATOM 446 CD GLN A 32 -17.474 -4.279 -12.966 1.00 0.00 C ATOM 447 OE1 GLN A 32 -18.403 -4.043 -13.740 1.00 0.00 O ATOM 448 NE2 GLN A 32 -16.741 -5.383 -13.044 1.00 0.00 N ATOM 0 H GLN A 32 -19.861 -0.685 -10.660 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.360 -1.669 -9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.074 -2.893 -11.118 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.597 -1.887 -12.471 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.228 -2.738 -12.162 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.848 -3.858 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.981 -5.538 -12.382 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.938 -6.076 -13.766 1.00 0.00 H new ATOM 457 N GLY A 33 -17.330 0.525 -12.178 1.00 0.00 N ATOM 458 CA GLY A 33 -16.468 1.458 -12.880 1.00 0.00 C ATOM 459 C GLY A 33 -15.875 2.505 -11.958 1.00 0.00 C ATOM 460 O GLY A 33 -14.746 2.952 -12.161 1.00 0.00 O ATOM 0 H GLY A 33 -18.310 0.552 -12.460 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.662 0.908 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.037 1.952 -13.667 1.00 0.00 H new ATOM 464 N SER A 34 -16.637 2.898 -10.943 1.00 0.00 N ATOM 465 CA SER A 34 -16.182 3.903 -9.989 1.00 0.00 C ATOM 466 C SER A 34 -15.300 3.274 -8.916 1.00 0.00 C ATOM 467 O SER A 34 -14.191 3.740 -8.655 1.00 0.00 O ATOM 468 CB SER A 34 -17.380 4.598 -9.338 1.00 0.00 C ATOM 469 OG SER A 34 -18.112 5.351 -10.290 1.00 0.00 O ATOM 0 H SER A 34 -17.573 2.536 -10.760 1.00 0.00 H new ATOM 0 HA SER A 34 -15.592 4.642 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.031 3.854 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.034 5.254 -8.539 1.00 0.00 H new ATOM 0 HG SER A 34 -18.873 5.784 -9.850 1.00 0.00 H new ATOM 475 N HIS A 35 -15.801 2.210 -8.295 1.00 0.00 N ATOM 476 CA HIS A 35 -15.059 1.515 -7.250 1.00 0.00 C ATOM 477 C HIS A 35 -13.631 1.222 -7.700 1.00 0.00 C ATOM 478 O HIS A 35 -12.743 1.009 -6.876 1.00 0.00 O ATOM 479 CB HIS A 35 -15.765 0.211 -6.875 1.00 0.00 C ATOM 480 CG HIS A 35 -14.930 -0.701 -6.030 1.00 0.00 C ATOM 481 ND1 HIS A 35 -15.035 -0.761 -4.657 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.972 -1.594 -6.373 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.177 -1.651 -4.190 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.519 -2.171 -5.211 1.00 0.00 N ATOM 0 H HIS A 35 -16.718 1.811 -8.498 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.020 2.163 -6.375 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.685 0.447 -6.341 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.051 -0.313 -7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.628 -1.812 -7.373 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.037 -1.909 -3.151 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.793 -2.885 -5.147 1.00 0.00 H new ATOM 492 N GLU A 36 -13.419 1.213 -9.012 1.00 0.00 N ATOM 493 CA GLU A 36 -12.099 0.945 -9.570 1.00 0.00 C ATOM 494 C GLU A 36 -11.174 2.144 -9.379 1.00 0.00 C ATOM 495 O GLU A 36 -9.963 1.987 -9.221 1.00 0.00 O ATOM 496 CB GLU A 36 -12.210 0.604 -11.058 1.00 0.00 C ATOM 497 CG GLU A 36 -12.462 -0.869 -11.328 1.00 0.00 C ATOM 498 CD GLU A 36 -11.982 -1.302 -12.700 1.00 0.00 C ATOM 499 OE1 GLU A 36 -10.770 -1.565 -12.848 1.00 0.00 O ATOM 500 OE2 GLU A 36 -12.818 -1.378 -13.624 1.00 0.00 O ATOM 0 H GLU A 36 -14.144 1.388 -9.708 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.674 0.093 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.019 1.189 -11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.291 0.905 -11.560 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.959 -1.465 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.529 -1.073 -11.239 1.00 0.00 H new ATOM 507 N ARG A 37 -11.754 3.339 -9.396 1.00 0.00 N ATOM 508 CA ARG A 37 -10.982 4.565 -9.227 1.00 0.00 C ATOM 509 C ARG A 37 -10.416 4.660 -7.813 1.00 0.00 C ATOM 510 O ARG A 37 -9.257 5.030 -7.620 1.00 0.00 O ATOM 511 CB ARG A 37 -11.854 5.787 -9.522 1.00 0.00 C ATOM 512 CG ARG A 37 -12.569 6.335 -8.298 1.00 0.00 C ATOM 513 CD ARG A 37 -13.239 7.667 -8.595 1.00 0.00 C ATOM 514 NE ARG A 37 -13.753 8.303 -7.385 1.00 0.00 N ATOM 515 CZ ARG A 37 -14.353 9.488 -7.375 1.00 0.00 C ATOM 516 NH1 ARG A 37 -14.513 10.163 -8.505 1.00 0.00 N ATOM 517 NH2 ARG A 37 -14.794 10.001 -6.233 1.00 0.00 N ATOM 0 H ARG A 37 -12.755 3.485 -9.525 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.151 4.542 -9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.231 6.572 -9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.595 5.521 -10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.317 5.617 -7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.855 6.459 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.524 8.333 -9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.057 7.512 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.645 7.810 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.175 9.772 -9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.974 11.073 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.672 9.485 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.255 10.911 -6.227 1.00 0.00 H new ATOM 531 N LEU A 38 -11.242 4.324 -6.827 1.00 0.00 N ATOM 532 CA LEU A 38 -10.824 4.372 -5.430 1.00 0.00 C ATOM 533 C LEU A 38 -10.035 3.122 -5.055 1.00 0.00 C ATOM 534 O LEU A 38 -9.142 3.170 -4.208 1.00 0.00 O ATOM 535 CB LEU A 38 -12.044 4.512 -4.518 1.00 0.00 C ATOM 536 CG LEU A 38 -13.335 3.865 -5.020 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.107 3.247 -3.864 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.195 4.886 -5.752 1.00 0.00 C ATOM 0 H LEU A 38 -12.204 4.016 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.178 5.240 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.799 4.081 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.232 5.573 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.072 3.072 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.023 2.791 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.494 2.485 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.358 4.021 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.110 4.407 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.449 5.701 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.643 5.282 -6.605 1.00 0.00 H new ATOM 550 N CYS A 39 -10.369 2.005 -5.691 1.00 0.00 N ATOM 551 CA CYS A 39 -9.691 0.741 -5.426 1.00 0.00 C ATOM 552 C CYS A 39 -8.341 0.689 -6.136 1.00 0.00 C ATOM 553 O CYS A 39 -7.685 -0.352 -6.169 1.00 0.00 O ATOM 554 CB CYS A 39 -10.562 -0.433 -5.876 1.00 0.00 C ATOM 555 SG CYS A 39 -9.879 -2.069 -5.454 1.00 0.00 S ATOM 0 H CYS A 39 -11.106 1.949 -6.394 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.520 0.667 -4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.548 -0.335 -5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.700 -0.376 -6.956 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.590 -2.058 -5.624 1.00 0.00 H new ATOM 560 N ARG A 40 -7.932 1.820 -6.702 1.00 0.00 N ATOM 561 CA ARG A 40 -6.661 1.903 -7.412 1.00 0.00 C ATOM 562 C ARG A 40 -5.689 2.824 -6.680 1.00 0.00 C ATOM 563 O ARG A 40 -4.474 2.649 -6.761 1.00 0.00 O ATOM 564 CB ARG A 40 -6.882 2.408 -8.839 1.00 0.00 C ATOM 565 CG ARG A 40 -5.708 2.145 -9.767 1.00 0.00 C ATOM 566 CD ARG A 40 -5.766 0.743 -10.355 1.00 0.00 C ATOM 567 NE ARG A 40 -4.986 0.633 -11.585 1.00 0.00 N ATOM 568 CZ ARG A 40 -4.478 -0.510 -12.033 1.00 0.00 C ATOM 569 NH1 ARG A 40 -4.668 -1.634 -11.356 1.00 0.00 N ATOM 570 NH2 ARG A 40 -3.780 -0.529 -13.161 1.00 0.00 N ATOM 0 H ARG A 40 -8.462 2.691 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.229 0.903 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.773 1.932 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.078 3.480 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.708 2.879 -10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.774 2.273 -9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.392 0.027 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.803 0.478 -10.559 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.822 1.480 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.205 -1.623 -10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.277 -2.510 -11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.633 0.334 -13.685 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.390 -1.407 -13.505 1.00 0.00 H new ATOM 584 N ASN A 41 -6.234 3.804 -5.967 1.00 0.00 N ATOM 585 CA ASN A 41 -5.414 4.753 -5.221 1.00 0.00 C ATOM 586 C ASN A 41 -5.585 4.555 -3.718 1.00 0.00 C ATOM 587 O ASN A 41 -4.756 5.001 -2.925 1.00 0.00 O ATOM 588 CB ASN A 41 -5.783 6.188 -5.604 1.00 0.00 C ATOM 589 CG ASN A 41 -6.911 6.741 -4.755 1.00 0.00 C ATOM 590 OD1 ASN A 41 -6.805 6.810 -3.530 1.00 0.00 O ATOM 591 ND2 ASN A 41 -8.000 7.138 -5.403 1.00 0.00 N ATOM 0 H ASN A 41 -7.239 3.962 -5.890 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.370 4.573 -5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.906 6.826 -5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.074 6.218 -6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.792 7.518 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.045 7.063 -6.419 1.00 0.00 H new ATOM 598 N ALA A 42 -6.666 3.884 -3.334 1.00 0.00 N ATOM 599 CA ALA A 42 -6.944 3.625 -1.927 1.00 0.00 C ATOM 600 C ALA A 42 -5.653 3.422 -1.140 1.00 0.00 C ATOM 601 O ALA A 42 -5.378 4.145 -0.183 1.00 0.00 O ATOM 602 CB ALA A 42 -7.849 2.411 -1.783 1.00 0.00 C ATOM 0 H ALA A 42 -7.363 3.510 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.455 4.496 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.048 2.229 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.789 2.594 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.359 1.539 -2.215 1.00 0.00 H new ATOM 608 N ALA A 43 -4.866 2.433 -1.550 1.00 0.00 N ATOM 609 CA ALA A 43 -3.604 2.136 -0.884 1.00 0.00 C ATOM 610 C ALA A 43 -2.472 1.982 -1.895 1.00 0.00 C ATOM 611 O ALA A 43 -2.373 0.964 -2.581 1.00 0.00 O ATOM 612 CB ALA A 43 -3.735 0.876 -0.041 1.00 0.00 C ATOM 0 H ALA A 43 -5.080 1.824 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.361 2.974 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.785 0.667 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.509 1.021 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.005 0.036 -0.681 1.00 0.00 H new ATOM 618 N VAL A 44 -1.622 3.000 -1.984 1.00 0.00 N ATOM 619 CA VAL A 44 -0.497 2.977 -2.911 1.00 0.00 C ATOM 620 C VAL A 44 0.823 3.191 -2.180 1.00 0.00 C ATOM 621 O VAL A 44 1.199 4.322 -1.872 1.00 0.00 O ATOM 622 CB VAL A 44 -0.647 4.054 -4.002 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.565 4.056 -4.921 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.927 3.835 -4.794 1.00 0.00 C ATOM 0 H VAL A 44 -1.691 3.851 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.494 1.993 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.708 5.029 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.441 4.823 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.463 4.265 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.661 3.081 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.017 4.605 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.899 2.853 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.784 3.890 -4.123 1.00 0.00 H new ATOM 634 N CYS A 45 1.524 2.096 -1.903 1.00 0.00 N ATOM 635 CA CYS A 45 2.804 2.162 -1.207 1.00 0.00 C ATOM 636 C CYS A 45 3.757 3.123 -1.912 1.00 0.00 C ATOM 637 O CYS A 45 4.140 2.923 -3.065 1.00 0.00 O ATOM 638 CB CYS A 45 3.434 0.771 -1.122 1.00 0.00 C ATOM 639 SG CYS A 45 4.817 0.652 0.058 1.00 0.00 S ATOM 0 H CYS A 45 1.227 1.152 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 45 2.623 2.533 -0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.665 0.052 -0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.789 0.484 -2.112 1.00 0.00 H new ATOM 0 HG CYS A 45 5.385 1.815 0.179 1.00 0.00 H new ATOM 644 N PRO A 46 4.152 4.191 -1.203 1.00 0.00 N ATOM 645 CA PRO A 46 5.066 5.203 -1.740 1.00 0.00 C ATOM 646 C PRO A 46 6.484 4.671 -1.911 1.00 0.00 C ATOM 647 O PRO A 46 7.407 5.424 -2.223 1.00 0.00 O ATOM 648 CB PRO A 46 5.033 6.308 -0.681 1.00 0.00 C ATOM 649 CG PRO A 46 4.655 5.612 0.581 1.00 0.00 C ATOM 650 CD PRO A 46 3.735 4.493 0.177 1.00 0.00 C ATOM 0 HA PRO A 46 4.767 5.537 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.003 6.797 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.310 7.082 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.537 5.227 1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.159 6.295 1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.845 3.627 0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.689 4.796 0.224 1.00 0.00 H new ATOM 658 N TYR A 47 6.652 3.369 -1.705 1.00 0.00 N ATOM 659 CA TYR A 47 7.959 2.737 -1.834 1.00 0.00 C ATOM 660 C TYR A 47 8.056 1.949 -3.137 1.00 0.00 C ATOM 661 O TYR A 47 8.892 2.241 -3.993 1.00 0.00 O ATOM 662 CB TYR A 47 8.221 1.811 -0.645 1.00 0.00 C ATOM 663 CG TYR A 47 8.157 2.512 0.693 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.832 3.708 0.906 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.422 1.979 1.745 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.777 4.352 2.127 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.359 2.617 2.969 1.00 0.00 C ATOM 668 CZ TYR A 47 8.039 3.803 3.155 1.00 0.00 C ATOM 669 OH TYR A 47 7.981 4.440 4.373 1.00 0.00 O ATOM 0 H TYR A 47 5.899 2.731 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 47 8.715 3.523 -1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.491 1.002 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.204 1.355 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.410 4.142 0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.891 1.050 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.309 5.280 2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.781 2.190 3.775 1.00 0.00 H new ATOM 0 HH TYR A 47 7.419 3.922 4.986 1.00 0.00 H new ATOM 679 N CYS A 48 7.194 0.947 -3.280 1.00 0.00 N ATOM 680 CA CYS A 48 7.181 0.115 -4.478 1.00 0.00 C ATOM 681 C CYS A 48 6.034 0.513 -5.403 1.00 0.00 C ATOM 682 O CYS A 48 5.925 0.013 -6.523 1.00 0.00 O ATOM 683 CB CYS A 48 7.054 -1.361 -4.097 1.00 0.00 C ATOM 684 SG CYS A 48 5.643 -1.729 -3.006 1.00 0.00 S ATOM 0 H CYS A 48 6.496 0.692 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 48 8.122 0.267 -5.007 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.960 -1.953 -5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.973 -1.678 -3.604 1.00 0.00 H new ATOM 0 HG CYS A 48 4.600 -1.064 -3.406 1.00 0.00 H new ATOM 689 N SER A 49 5.183 1.416 -4.927 1.00 0.00 N ATOM 690 CA SER A 49 4.043 1.879 -5.710 1.00 0.00 C ATOM 691 C SER A 49 3.056 0.742 -5.957 1.00 0.00 C ATOM 692 O SER A 49 2.688 0.460 -7.099 1.00 0.00 O ATOM 693 CB SER A 49 4.515 2.458 -7.045 1.00 0.00 C ATOM 694 OG SER A 49 5.579 3.375 -6.855 1.00 0.00 O ATOM 0 H SER A 49 5.261 1.842 -4.003 1.00 0.00 H new ATOM 0 HA SER A 49 3.537 2.660 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.840 1.650 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.684 2.958 -7.542 1.00 0.00 H new ATOM 0 HG SER A 49 5.864 3.730 -7.723 1.00 0.00 H new ATOM 700 N LEU A 50 2.632 0.091 -4.880 1.00 0.00 N ATOM 701 CA LEU A 50 1.687 -1.017 -4.978 1.00 0.00 C ATOM 702 C LEU A 50 0.252 -0.505 -5.034 1.00 0.00 C ATOM 703 O LEU A 50 0.014 0.702 -5.088 1.00 0.00 O ATOM 704 CB LEU A 50 1.857 -1.965 -3.789 1.00 0.00 C ATOM 705 CG LEU A 50 2.784 -3.160 -4.011 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.196 -3.771 -2.681 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.110 -4.202 -4.892 1.00 0.00 C ATOM 0 H LEU A 50 2.927 0.311 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 50 1.896 -1.560 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.234 -1.390 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.874 -2.341 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 50 3.682 -2.809 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.856 -4.620 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.719 -3.024 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.309 -4.107 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.785 -5.045 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.195 -4.549 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.866 -3.759 -5.858 1.00 0.00 H new ATOM 719 N ARG A 51 -0.702 -1.430 -5.017 1.00 0.00 N ATOM 720 CA ARG A 51 -2.115 -1.072 -5.064 1.00 0.00 C ATOM 721 C ARG A 51 -2.968 -2.134 -4.377 1.00 0.00 C ATOM 722 O ARG A 51 -3.175 -3.223 -4.914 1.00 0.00 O ATOM 723 CB ARG A 51 -2.570 -0.897 -6.514 1.00 0.00 C ATOM 724 CG ARG A 51 -2.102 0.404 -7.147 1.00 0.00 C ATOM 725 CD ARG A 51 -2.693 0.593 -8.535 1.00 0.00 C ATOM 726 NE ARG A 51 -2.007 -0.219 -9.537 1.00 0.00 N ATOM 727 CZ ARG A 51 -0.986 0.220 -10.265 1.00 0.00 C ATOM 728 NH1 ARG A 51 -0.535 1.457 -10.103 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.414 -0.578 -11.157 1.00 0.00 N ATOM 0 H ARG A 51 -0.522 -2.433 -4.971 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.243 -0.129 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.198 -1.733 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.659 -0.939 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.388 1.242 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.014 0.408 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.751 0.330 -8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.630 1.644 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.329 -1.175 -9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.972 2.074 -9.418 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.249 1.791 -10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.758 -1.530 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.370 -0.240 -11.715 1.00 0.00 H new ATOM 743 N PHE A 52 -3.461 -1.810 -3.186 1.00 0.00 N ATOM 744 CA PHE A 52 -4.291 -2.737 -2.424 1.00 0.00 C ATOM 745 C PHE A 52 -5.745 -2.275 -2.406 1.00 0.00 C ATOM 746 O PHE A 52 -6.053 -1.143 -2.778 1.00 0.00 O ATOM 747 CB PHE A 52 -3.766 -2.865 -0.993 1.00 0.00 C ATOM 748 CG PHE A 52 -2.372 -3.418 -0.913 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.273 -2.580 -1.018 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.159 -4.775 -0.731 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.011 -3.086 -0.945 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.878 -5.286 -0.657 1.00 0.00 C ATOM 753 CZ PHE A 52 0.209 -4.440 -0.763 1.00 0.00 C ATOM 0 H PHE A 52 -3.300 -0.913 -2.728 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.244 -3.712 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.787 -1.884 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.437 -3.509 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.422 -1.520 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.005 -5.441 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.859 -2.423 -1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.726 -6.346 -0.516 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.212 -4.837 -0.704 1.00 0.00 H new ATOM 763 N PHE A 53 -6.635 -3.161 -1.971 1.00 0.00 N ATOM 764 CA PHE A 53 -8.057 -2.846 -1.905 1.00 0.00 C ATOM 765 C PHE A 53 -8.325 -1.752 -0.875 1.00 0.00 C ATOM 766 O PHE A 53 -9.016 -0.774 -1.158 1.00 0.00 O ATOM 767 CB PHE A 53 -8.863 -4.099 -1.556 1.00 0.00 C ATOM 768 CG PHE A 53 -10.142 -3.805 -0.826 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.919 -2.712 -1.174 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.567 -4.622 0.210 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.097 -2.439 -0.505 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.745 -4.354 0.883 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.510 -3.261 0.526 1.00 0.00 C ATOM 0 H PHE A 53 -6.397 -4.102 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.369 -2.483 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.094 -4.640 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.248 -4.758 -0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.600 -2.065 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.972 -5.477 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.694 -1.584 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.067 -4.999 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.429 -3.049 1.052 1.00 0.00 H new ATOM 783 N SER A 54 -7.774 -1.927 0.322 1.00 0.00 N ATOM 784 CA SER A 54 -7.956 -0.958 1.397 1.00 0.00 C ATOM 785 C SER A 54 -6.628 -0.310 1.775 1.00 0.00 C ATOM 786 O SER A 54 -5.554 -0.885 1.594 1.00 0.00 O ATOM 787 CB SER A 54 -8.574 -1.634 2.622 1.00 0.00 C ATOM 788 OG SER A 54 -9.989 -1.578 2.576 1.00 0.00 O ATOM 0 H SER A 54 -7.198 -2.731 0.572 1.00 0.00 H new ATOM 0 HA SER A 54 -8.631 -0.180 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.249 -2.673 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.217 -1.146 3.529 1.00 0.00 H new ATOM 0 HG SER A 54 -10.334 -2.380 2.131 1.00 0.00 H new ATOM 794 N PRO A 55 -6.701 0.916 2.314 1.00 0.00 N ATOM 795 CA PRO A 55 -5.514 1.669 2.730 1.00 0.00 C ATOM 796 C PRO A 55 -4.843 1.063 3.958 1.00 0.00 C ATOM 797 O PRO A 55 -3.654 1.274 4.193 1.00 0.00 O ATOM 798 CB PRO A 55 -6.072 3.057 3.056 1.00 0.00 C ATOM 799 CG PRO A 55 -7.500 2.819 3.407 1.00 0.00 C ATOM 800 CD PRO A 55 -7.947 1.660 2.559 1.00 0.00 C ATOM 0 HA PRO A 55 -4.743 1.674 1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.532 3.516 3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.981 3.730 2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.609 2.591 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.104 3.704 3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.686 1.047 3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.404 1.996 1.628 1.00 0.00 H new ATOM 808 N GLU A 56 -5.614 0.309 4.736 1.00 0.00 N ATOM 809 CA GLU A 56 -5.092 -0.327 5.940 1.00 0.00 C ATOM 810 C GLU A 56 -4.295 -1.580 5.591 1.00 0.00 C ATOM 811 O GLU A 56 -3.579 -2.128 6.431 1.00 0.00 O ATOM 812 CB GLU A 56 -6.236 -0.685 6.891 1.00 0.00 C ATOM 813 CG GLU A 56 -6.654 0.459 7.799 1.00 0.00 C ATOM 814 CD GLU A 56 -7.309 -0.022 9.080 1.00 0.00 C ATOM 815 OE1 GLU A 56 -8.312 -0.761 8.991 1.00 0.00 O ATOM 816 OE2 GLU A 56 -6.819 0.340 10.169 1.00 0.00 O ATOM 0 H GLU A 56 -6.600 0.124 4.554 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.426 0.380 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.097 -1.006 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.934 -1.534 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.779 1.060 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.346 1.109 7.263 1.00 0.00 H new ATOM 823 N LEU A 57 -4.423 -2.029 4.347 1.00 0.00 N ATOM 824 CA LEU A 57 -3.715 -3.218 3.886 1.00 0.00 C ATOM 825 C LEU A 57 -2.252 -2.901 3.594 1.00 0.00 C ATOM 826 O LEU A 57 -1.350 -3.602 4.053 1.00 0.00 O ATOM 827 CB LEU A 57 -4.387 -3.781 2.632 1.00 0.00 C ATOM 828 CG LEU A 57 -5.479 -4.825 2.867 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.237 -5.104 1.579 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.879 -6.108 3.425 1.00 0.00 C ATOM 0 H LEU A 57 -5.011 -1.587 3.640 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.755 -3.965 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.820 -2.952 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.618 -4.225 2.000 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.183 -4.429 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.010 -5.849 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.699 -4.184 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.546 -5.479 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.671 -6.840 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.153 -6.508 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.383 -5.896 4.372 1.00 0.00 H new ATOM 842 N LYS A 58 -2.023 -1.839 2.829 1.00 0.00 N ATOM 843 CA LYS A 58 -0.669 -1.426 2.478 1.00 0.00 C ATOM 844 C LYS A 58 0.115 -1.018 3.721 1.00 0.00 C ATOM 845 O LYS A 58 1.321 -1.249 3.808 1.00 0.00 O ATOM 846 CB LYS A 58 -0.710 -0.264 1.483 1.00 0.00 C ATOM 847 CG LYS A 58 -0.983 1.082 2.132 1.00 0.00 C ATOM 848 CD LYS A 58 0.298 1.730 2.631 1.00 0.00 C ATOM 849 CE LYS A 58 0.209 3.248 2.585 1.00 0.00 C ATOM 850 NZ LYS A 58 0.606 3.786 1.254 1.00 0.00 N ATOM 0 H LYS A 58 -2.758 -1.248 2.440 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.166 -2.275 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.241 -0.216 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.480 -0.462 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.470 1.742 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.674 0.952 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.496 1.407 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.138 1.395 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.810 3.559 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.852 3.673 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.746 4.814 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.492 3.336 0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.142 3.584 0.561 1.00 0.00 H new ATOM 864 N GLN A 59 -0.578 -0.413 4.680 1.00 0.00 N ATOM 865 CA GLN A 59 0.054 0.026 5.918 1.00 0.00 C ATOM 866 C GLN A 59 0.941 -1.073 6.495 1.00 0.00 C ATOM 867 O GLN A 59 2.038 -0.804 6.985 1.00 0.00 O ATOM 868 CB GLN A 59 -1.007 0.431 6.942 1.00 0.00 C ATOM 869 CG GLN A 59 -1.633 1.788 6.664 1.00 0.00 C ATOM 870 CD GLN A 59 -2.056 2.506 7.931 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.981 1.951 9.027 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.505 3.748 7.786 1.00 0.00 N ATOM 0 H GLN A 59 -1.577 -0.216 4.623 1.00 0.00 H new ATOM 0 HA GLN A 59 0.678 0.891 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.792 -0.325 6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.556 0.444 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.920 2.408 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.501 1.658 6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.550 4.169 6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.805 4.281 8.603 1.00 0.00 H new ATOM 881 N GLU A 60 0.458 -2.310 6.434 1.00 0.00 N ATOM 882 CA GLU A 60 1.208 -3.448 6.952 1.00 0.00 C ATOM 883 C GLU A 60 2.398 -3.771 6.053 1.00 0.00 C ATOM 884 O GLU A 60 3.519 -3.951 6.529 1.00 0.00 O ATOM 885 CB GLU A 60 0.299 -4.673 7.073 1.00 0.00 C ATOM 886 CG GLU A 60 -0.907 -4.450 7.970 1.00 0.00 C ATOM 887 CD GLU A 60 -0.524 -4.241 9.422 1.00 0.00 C ATOM 888 OE1 GLU A 60 0.406 -4.929 9.895 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.152 -3.390 10.086 1.00 0.00 O ATOM 0 H GLU A 60 -0.448 -2.549 6.032 1.00 0.00 H new ATOM 0 HA GLU A 60 1.583 -3.183 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.046 -4.959 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.880 -5.509 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.462 -3.581 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.575 -5.308 7.894 1.00 0.00 H new ATOM 896 N HIS A 61 2.145 -3.843 4.750 1.00 0.00 N ATOM 897 CA HIS A 61 3.194 -4.144 3.783 1.00 0.00 C ATOM 898 C HIS A 61 4.360 -3.170 3.925 1.00 0.00 C ATOM 899 O HIS A 61 5.518 -3.579 3.995 1.00 0.00 O ATOM 900 CB HIS A 61 2.638 -4.088 2.360 1.00 0.00 C ATOM 901 CG HIS A 61 3.692 -3.913 1.311 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.344 -4.972 0.716 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.206 -2.793 0.750 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.215 -4.511 -0.165 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.150 -3.192 -0.164 1.00 0.00 N ATOM 0 H HIS A 61 1.223 -3.697 4.340 1.00 0.00 H new ATOM 0 HA HIS A 61 3.559 -5.152 3.983 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.085 -5.006 2.158 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.926 -3.265 2.289 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.926 -1.775 0.979 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.869 -5.111 -0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.710 -2.570 -0.747 1.00 0.00 H new ATOM 913 N GLU A 62 4.044 -1.879 3.966 1.00 0.00 N ATOM 914 CA GLU A 62 5.066 -0.847 4.098 1.00 0.00 C ATOM 915 C GLU A 62 6.113 -1.247 5.133 1.00 0.00 C ATOM 916 O GLU A 62 7.268 -0.830 5.056 1.00 0.00 O ATOM 917 CB GLU A 62 4.427 0.487 4.491 1.00 0.00 C ATOM 918 CG GLU A 62 4.104 1.380 3.305 1.00 0.00 C ATOM 919 CD GLU A 62 3.200 2.539 3.677 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.611 2.502 4.778 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.081 3.483 2.868 1.00 0.00 O ATOM 0 H GLU A 62 3.090 -1.523 3.910 1.00 0.00 H new ATOM 0 HA GLU A 62 5.560 -0.735 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.511 0.291 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.101 1.019 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.031 1.768 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.625 0.785 2.527 1.00 0.00 H new ATOM 928 N SER A 63 5.699 -2.058 6.102 1.00 0.00 N ATOM 929 CA SER A 63 6.599 -2.512 7.156 1.00 0.00 C ATOM 930 C SER A 63 7.540 -3.595 6.637 1.00 0.00 C ATOM 931 O SER A 63 8.727 -3.612 6.964 1.00 0.00 O ATOM 932 CB SER A 63 5.798 -3.043 8.346 1.00 0.00 C ATOM 933 OG SER A 63 6.625 -3.205 9.485 1.00 0.00 O ATOM 0 H SER A 63 4.746 -2.414 6.179 1.00 0.00 H new ATOM 0 HA SER A 63 7.197 -1.661 7.481 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.985 -2.355 8.578 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.342 -3.998 8.085 1.00 0.00 H new ATOM 0 HG SER A 63 6.090 -3.544 10.233 1.00 0.00 H new ATOM 939 N LYS A 64 7.001 -4.500 5.827 1.00 0.00 N ATOM 940 CA LYS A 64 7.790 -5.587 5.261 1.00 0.00 C ATOM 941 C LYS A 64 8.171 -5.288 3.815 1.00 0.00 C ATOM 942 O LYS A 64 8.617 -6.173 3.083 1.00 0.00 O ATOM 943 CB LYS A 64 7.010 -6.902 5.332 1.00 0.00 C ATOM 944 CG LYS A 64 5.674 -6.856 4.611 1.00 0.00 C ATOM 945 CD LYS A 64 4.653 -7.769 5.269 1.00 0.00 C ATOM 946 CE LYS A 64 4.216 -7.232 6.623 1.00 0.00 C ATOM 947 NZ LYS A 64 2.997 -6.383 6.516 1.00 0.00 N ATOM 0 H LYS A 64 6.020 -4.502 5.548 1.00 0.00 H new ATOM 0 HA LYS A 64 8.704 -5.681 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.618 -7.699 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.840 -7.158 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.298 -5.833 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.811 -7.152 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.784 -7.872 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.079 -8.765 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.020 -8.065 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.027 -6.650 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.185 -5.451 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.743 -6.264 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.211 -6.840 7.020 1.00 0.00 H new ATOM 961 N CYS A 65 7.993 -4.036 3.408 1.00 0.00 N ATOM 962 CA CYS A 65 8.318 -3.619 2.049 1.00 0.00 C ATOM 963 C CYS A 65 9.826 -3.648 1.818 1.00 0.00 C ATOM 964 O CYS A 65 10.596 -3.114 2.616 1.00 0.00 O ATOM 965 CB CYS A 65 7.777 -2.213 1.782 1.00 0.00 C ATOM 966 SG CYS A 65 8.145 -1.580 0.113 1.00 0.00 S ATOM 0 H CYS A 65 7.625 -3.292 4.000 1.00 0.00 H new ATOM 0 HA CYS A 65 7.848 -4.319 1.358 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.697 -2.217 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.195 -1.528 2.519 1.00 0.00 H new ATOM 0 HG CYS A 65 7.808 -2.470 -0.773 1.00 0.00 H new ATOM 971 N GLU A 66 10.239 -4.274 0.721 1.00 0.00 N ATOM 972 CA GLU A 66 11.655 -4.373 0.385 1.00 0.00 C ATOM 973 C GLU A 66 12.165 -3.065 -0.212 1.00 0.00 C ATOM 974 O GLU A 66 13.361 -2.776 -0.173 1.00 0.00 O ATOM 975 CB GLU A 66 11.890 -5.521 -0.598 1.00 0.00 C ATOM 976 CG GLU A 66 11.228 -5.311 -1.949 1.00 0.00 C ATOM 977 CD GLU A 66 11.777 -6.235 -3.019 1.00 0.00 C ATOM 978 OE1 GLU A 66 11.815 -7.461 -2.782 1.00 0.00 O ATOM 979 OE2 GLU A 66 12.169 -5.732 -4.092 1.00 0.00 O ATOM 0 H GLU A 66 9.614 -4.720 0.050 1.00 0.00 H new ATOM 0 HA GLU A 66 12.207 -4.573 1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.963 -5.649 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.516 -6.446 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.154 -5.472 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.369 -4.276 -2.261 1.00 0.00 H new ATOM 986 N TYR A 67 11.249 -2.278 -0.766 1.00 0.00 N ATOM 987 CA TYR A 67 11.606 -1.001 -1.375 1.00 0.00 C ATOM 988 C TYR A 67 11.653 0.107 -0.328 1.00 0.00 C ATOM 989 O TYR A 67 12.272 1.151 -0.538 1.00 0.00 O ATOM 990 CB TYR A 67 10.604 -0.639 -2.472 1.00 0.00 C ATOM 991 CG TYR A 67 10.851 -1.358 -3.779 1.00 0.00 C ATOM 992 CD1 TYR A 67 10.442 -2.674 -3.959 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.493 -0.722 -4.834 1.00 0.00 C ATOM 994 CE1 TYR A 67 10.666 -3.335 -5.151 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.720 -1.374 -6.031 1.00 0.00 C ATOM 996 CZ TYR A 67 11.305 -2.681 -6.184 1.00 0.00 C ATOM 997 OH TYR A 67 11.529 -3.336 -7.373 1.00 0.00 O ATOM 0 H TYR A 67 10.255 -2.501 -0.806 1.00 0.00 H new ATOM 0 HA TYR A 67 12.598 -1.101 -1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.597 -0.871 -2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.641 0.436 -2.646 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.940 -3.189 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.821 0.300 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.343 -4.358 -5.274 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.219 -0.864 -6.842 1.00 0.00 H new ATOM 0 HH TYR A 67 11.988 -2.735 -7.996 1.00 0.00 H new ATOM 1007 N LYS A 68 10.996 -0.127 0.803 1.00 0.00 N ATOM 1008 CA LYS A 68 10.963 0.849 1.886 1.00 0.00 C ATOM 1009 C LYS A 68 12.369 1.336 2.222 1.00 0.00 C ATOM 1010 O LYS A 68 12.654 2.532 2.160 1.00 0.00 O ATOM 1011 CB LYS A 68 10.312 0.239 3.129 1.00 0.00 C ATOM 1012 CG LYS A 68 10.484 1.082 4.381 1.00 0.00 C ATOM 1013 CD LYS A 68 9.335 0.877 5.354 1.00 0.00 C ATOM 1014 CE LYS A 68 9.472 1.773 6.575 1.00 0.00 C ATOM 1015 NZ LYS A 68 8.166 1.981 7.260 1.00 0.00 N ATOM 0 H LYS A 68 10.479 -0.985 0.994 1.00 0.00 H new ATOM 0 HA LYS A 68 10.371 1.703 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.248 0.098 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.738 -0.749 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.425 0.824 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.546 2.135 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.390 1.086 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.305 -0.166 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.182 1.329 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.882 2.737 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.302 2.597 8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.496 2.428 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.787 1.064 7.570 1.00 0.00 H new ATOM 1029 N LYS A 69 13.244 0.402 2.578 1.00 0.00 N ATOM 1030 CA LYS A 69 14.621 0.734 2.922 1.00 0.00 C ATOM 1031 C LYS A 69 15.365 1.290 1.711 1.00 0.00 C ATOM 1032 O LYS A 69 16.059 2.303 1.808 1.00 0.00 O ATOM 1033 CB LYS A 69 15.348 -0.501 3.457 1.00 0.00 C ATOM 1034 CG LYS A 69 15.543 -1.591 2.416 1.00 0.00 C ATOM 1035 CD LYS A 69 15.778 -2.945 3.064 1.00 0.00 C ATOM 1036 CE LYS A 69 15.726 -4.069 2.040 1.00 0.00 C ATOM 1037 NZ LYS A 69 17.052 -4.301 1.404 1.00 0.00 N ATOM 0 H LYS A 69 13.023 -0.592 2.636 1.00 0.00 H new ATOM 0 HA LYS A 69 14.600 1.499 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.322 -0.200 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.785 -0.909 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.665 -1.642 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.391 -1.339 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.748 -2.948 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.025 -3.117 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.390 -4.986 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.992 -3.827 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.975 -5.074 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.362 -3.434 0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.747 -4.557 2.134 1.00 0.00 H new ATOM 1051 N LEU A 70 15.215 0.623 0.573 1.00 0.00 N ATOM 1052 CA LEU A 70 15.871 1.051 -0.658 1.00 0.00 C ATOM 1053 C LEU A 70 15.438 2.462 -1.043 1.00 0.00 C ATOM 1054 O LEU A 70 16.042 3.094 -1.911 1.00 0.00 O ATOM 1055 CB LEU A 70 15.552 0.078 -1.794 1.00 0.00 C ATOM 1056 CG LEU A 70 16.149 -1.324 -1.665 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.651 -2.221 -2.788 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.669 -1.259 -1.666 1.00 0.00 C ATOM 0 H LEU A 70 14.645 -0.217 0.476 1.00 0.00 H new ATOM 0 HA LEU A 70 16.947 1.056 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.469 -0.016 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.902 0.515 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 70 15.825 -1.750 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.086 -3.215 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.564 -2.294 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.945 -1.798 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.076 -2.266 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.013 -0.813 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.008 -0.652 -0.826 1.00 0.00 H new ATOM 1070 N THR A 71 14.388 2.952 -0.392 1.00 0.00 N ATOM 1071 CA THR A 71 13.874 4.288 -0.665 1.00 0.00 C ATOM 1072 C THR A 71 14.519 5.323 0.249 1.00 0.00 C ATOM 1073 O THR A 71 14.441 5.219 1.474 1.00 0.00 O ATOM 1074 CB THR A 71 12.345 4.348 -0.491 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.714 3.411 -1.371 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.822 5.748 -0.775 1.00 0.00 C ATOM 0 H THR A 71 13.876 2.443 0.329 1.00 0.00 H new ATOM 0 HA THR A 71 14.124 4.517 -1.701 1.00 0.00 H new ATOM 0 HB THR A 71 12.110 4.092 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.130 2.530 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.740 5.765 -0.646 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.281 6.455 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.069 6.028 -1.799 1.00 0.00 H new ATOM 1084 N CYS A 72 15.156 6.322 -0.352 1.00 0.00 N ATOM 1085 CA CYS A 72 15.815 7.377 0.408 1.00 0.00 C ATOM 1086 C CYS A 72 14.797 8.382 0.938 1.00 0.00 C ATOM 1087 O CYS A 72 14.556 9.422 0.323 1.00 0.00 O ATOM 1088 CB CYS A 72 16.849 8.093 -0.464 1.00 0.00 C ATOM 1089 SG CYS A 72 18.003 9.150 0.467 1.00 0.00 S ATOM 0 H CYS A 72 15.230 6.423 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 72 16.321 6.917 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.421 7.348 -1.016 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.327 8.704 -1.200 1.00 0.00 H new ATOM 0 HG CYS A 72 18.044 10.331 -0.076 1.00 0.00 H new ATOM 1094 N LEU A 73 14.203 8.066 2.083 1.00 0.00 N ATOM 1095 CA LEU A 73 13.211 8.941 2.698 1.00 0.00 C ATOM 1096 C LEU A 73 13.718 10.378 2.763 1.00 0.00 C ATOM 1097 O LEU A 73 12.935 11.326 2.704 1.00 0.00 O ATOM 1098 CB LEU A 73 12.866 8.446 4.104 1.00 0.00 C ATOM 1099 CG LEU A 73 12.569 6.952 4.235 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.310 6.585 5.688 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.382 6.566 3.365 1.00 0.00 C ATOM 0 H LEU A 73 14.391 7.210 2.605 1.00 0.00 H new ATOM 0 HA LEU A 73 12.312 8.920 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.695 8.691 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.998 9.001 4.460 1.00 0.00 H new ATOM 0 HG LEU A 73 13.441 6.396 3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.100 5.518 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.189 6.824 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.454 7.149 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.185 5.499 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.503 7.130 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.606 6.792 2.323 1.00 0.00 H new ATOM 1113 N GLU A 74 15.033 10.532 2.882 1.00 0.00 N ATOM 1114 CA GLU A 74 15.644 11.854 2.954 1.00 0.00 C ATOM 1115 C GLU A 74 15.177 12.732 1.796 1.00 0.00 C ATOM 1116 O GLU A 74 14.705 13.850 2.001 1.00 0.00 O ATOM 1117 CB GLU A 74 17.169 11.737 2.937 1.00 0.00 C ATOM 1118 CG GLU A 74 17.773 11.445 4.300 1.00 0.00 C ATOM 1119 CD GLU A 74 17.523 10.021 4.756 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.458 9.767 5.356 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.395 9.160 4.513 1.00 0.00 O ATOM 0 H GLU A 74 15.695 9.758 2.931 1.00 0.00 H new ATOM 0 HA GLU A 74 15.333 12.320 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.456 10.946 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.592 12.665 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.847 11.628 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 74 17.357 12.136 5.033 1.00 0.00 H new ATOM 1128 N CYS A 75 15.313 12.217 0.578 1.00 0.00 N ATOM 1129 CA CYS A 75 14.907 12.952 -0.613 1.00 0.00 C ATOM 1130 C CYS A 75 14.022 12.090 -1.509 1.00 0.00 C ATOM 1131 O CYS A 75 14.053 12.214 -2.733 1.00 0.00 O ATOM 1132 CB CYS A 75 16.138 13.421 -1.392 1.00 0.00 C ATOM 1133 SG CYS A 75 17.129 12.066 -2.101 1.00 0.00 S ATOM 0 H CYS A 75 15.702 11.293 0.391 1.00 0.00 H new ATOM 0 HA CYS A 75 14.333 13.822 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.816 14.081 -2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.771 14.012 -0.730 1.00 0.00 H new ATOM 0 HG CYS A 75 18.146 12.561 -2.741 1.00 0.00 H new ATOM 1138 N MET A 76 13.234 11.218 -0.889 1.00 0.00 N ATOM 1139 CA MET A 76 12.339 10.337 -1.630 1.00 0.00 C ATOM 1140 C MET A 76 13.006 9.832 -2.906 1.00 0.00 C ATOM 1141 O MET A 76 12.462 9.978 -4.001 1.00 0.00 O ATOM 1142 CB MET A 76 11.039 11.067 -1.975 1.00 0.00 C ATOM 1143 CG MET A 76 10.049 11.121 -0.824 1.00 0.00 C ATOM 1144 SD MET A 76 9.039 9.631 -0.706 1.00 0.00 S ATOM 1145 CE MET A 76 9.873 8.761 0.618 1.00 0.00 C ATOM 0 H MET A 76 13.197 11.103 0.124 1.00 0.00 H new ATOM 0 HA MET A 76 12.109 9.480 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.275 12.084 -2.288 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.569 10.573 -2.825 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.592 11.262 0.111 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.399 11.987 -0.949 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.177 8.072 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.716 8.202 0.212 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.235 9.479 1.354 1.00 0.00 H new ATOM 1155 N ARG A 77 14.186 9.239 -2.757 1.00 0.00 N ATOM 1156 CA ARG A 77 14.927 8.715 -3.897 1.00 0.00 C ATOM 1157 C ARG A 77 15.042 7.195 -3.818 1.00 0.00 C ATOM 1158 O ARG A 77 15.796 6.660 -3.005 1.00 0.00 O ATOM 1159 CB ARG A 77 16.322 9.340 -3.957 1.00 0.00 C ATOM 1160 CG ARG A 77 16.410 10.545 -4.880 1.00 0.00 C ATOM 1161 CD ARG A 77 16.698 10.129 -6.314 1.00 0.00 C ATOM 1162 NE ARG A 77 15.472 9.919 -7.079 1.00 0.00 N ATOM 1163 CZ ARG A 77 15.397 9.128 -8.143 1.00 0.00 C ATOM 1164 NH1 ARG A 77 16.470 8.474 -8.565 1.00 0.00 N ATOM 1165 NH2 ARG A 77 14.245 8.989 -8.788 1.00 0.00 N ATOM 0 H ARG A 77 14.649 9.110 -1.857 1.00 0.00 H new ATOM 0 HA ARG A 77 14.381 8.975 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.620 9.640 -2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.035 8.586 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.474 11.102 -4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 77 17.195 11.216 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.302 10.896 -6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.287 9.212 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 77 14.627 10.406 -6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.357 8.577 -8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.409 7.867 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.417 9.490 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.188 8.381 -9.605 1.00 0.00 H new ATOM 1179 N THR A 78 14.289 6.505 -4.669 1.00 0.00 N ATOM 1180 CA THR A 78 14.305 5.048 -4.695 1.00 0.00 C ATOM 1181 C THR A 78 15.343 4.527 -5.683 1.00 0.00 C ATOM 1182 O THR A 78 15.494 5.063 -6.781 1.00 0.00 O ATOM 1183 CB THR A 78 12.924 4.478 -5.071 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.896 5.169 -4.353 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.851 2.990 -4.765 1.00 0.00 C ATOM 0 H THR A 78 13.660 6.932 -5.349 1.00 0.00 H new ATOM 0 HA THR A 78 14.566 4.717 -3.690 1.00 0.00 H new ATOM 0 HB THR A 78 12.777 4.620 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.021 4.802 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.867 2.610 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.615 2.463 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.019 2.829 -3.700 1.00 0.00 H new ATOM 1193 N PHE A 79 16.056 3.478 -5.285 1.00 0.00 N ATOM 1194 CA PHE A 79 17.081 2.885 -6.136 1.00 0.00 C ATOM 1195 C PHE A 79 16.748 1.430 -6.455 1.00 0.00 C ATOM 1196 O PHE A 79 15.683 0.931 -6.091 1.00 0.00 O ATOM 1197 CB PHE A 79 18.450 2.969 -5.456 1.00 0.00 C ATOM 1198 CG PHE A 79 18.992 4.367 -5.371 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.413 5.298 -4.523 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.081 4.750 -6.137 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.909 6.585 -4.443 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.582 6.035 -6.061 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.996 6.954 -5.212 1.00 0.00 C ATOM 0 H PHE A 79 15.943 3.022 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 79 17.112 3.446 -7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.373 2.556 -4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.158 2.346 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.565 5.014 -3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.544 4.035 -6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.448 7.302 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.431 6.321 -6.665 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.387 7.959 -5.150 1.00 0.00 H new ATOM 1213 N LYS A 80 17.665 0.756 -7.139 1.00 0.00 N ATOM 1214 CA LYS A 80 17.471 -0.641 -7.509 1.00 0.00 C ATOM 1215 C LYS A 80 18.206 -1.566 -6.544 1.00 0.00 C ATOM 1216 O LYS A 80 17.955 -2.771 -6.510 1.00 0.00 O ATOM 1217 CB LYS A 80 17.961 -0.885 -8.938 1.00 0.00 C ATOM 1218 CG LYS A 80 19.440 -0.599 -9.131 1.00 0.00 C ATOM 1219 CD LYS A 80 19.671 0.802 -9.672 1.00 0.00 C ATOM 1220 CE LYS A 80 21.053 1.320 -9.306 1.00 0.00 C ATOM 1221 NZ LYS A 80 21.460 2.469 -10.163 1.00 0.00 N ATOM 0 H LYS A 80 18.551 1.155 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 80 16.405 -0.860 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.762 -1.922 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.386 -0.260 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.961 -0.713 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 80 19.866 -1.330 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.558 0.798 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.912 1.476 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 80 21.061 1.627 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 80 21.781 0.515 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 22.407 2.793 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.477 2.170 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.779 3.247 -10.047 1.00 0.00 H new ATOM 1235 N SER A 81 19.114 -0.995 -5.759 1.00 0.00 N ATOM 1236 CA SER A 81 19.887 -1.769 -4.795 1.00 0.00 C ATOM 1237 C SER A 81 20.332 -0.893 -3.627 1.00 0.00 C ATOM 1238 O SER A 81 20.246 0.333 -3.689 1.00 0.00 O ATOM 1239 CB SER A 81 21.108 -2.395 -5.472 1.00 0.00 C ATOM 1240 OG SER A 81 20.732 -3.122 -6.629 1.00 0.00 O ATOM 0 H SER A 81 19.332 0.001 -5.772 1.00 0.00 H new ATOM 0 HA SER A 81 19.248 -2.563 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.818 -1.614 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.617 -3.057 -4.772 1.00 0.00 H new ATOM 0 HG SER A 81 21.530 -3.511 -7.044 1.00 0.00 H new ATOM 1246 N SER A 82 20.809 -1.533 -2.564 1.00 0.00 N ATOM 1247 CA SER A 82 21.265 -0.814 -1.380 1.00 0.00 C ATOM 1248 C SER A 82 22.635 -0.187 -1.619 1.00 0.00 C ATOM 1249 O SER A 82 22.873 0.967 -1.262 1.00 0.00 O ATOM 1250 CB SER A 82 21.325 -1.757 -0.177 1.00 0.00 C ATOM 1251 OG SER A 82 20.094 -1.767 0.526 1.00 0.00 O ATOM 0 H SER A 82 20.890 -2.548 -2.498 1.00 0.00 H new ATOM 0 HA SER A 82 20.552 -0.016 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.563 -2.766 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.127 -1.447 0.493 1.00 0.00 H new ATOM 0 HG SER A 82 20.158 -2.379 1.289 1.00 0.00 H new ATOM 1257 N PHE A 83 23.533 -0.957 -2.225 1.00 0.00 N ATOM 1258 CA PHE A 83 24.881 -0.479 -2.511 1.00 0.00 C ATOM 1259 C PHE A 83 24.839 0.800 -3.343 1.00 0.00 C ATOM 1260 O PHE A 83 25.621 1.724 -3.120 1.00 0.00 O ATOM 1261 CB PHE A 83 25.680 -1.555 -3.250 1.00 0.00 C ATOM 1262 CG PHE A 83 27.088 -1.141 -3.571 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.373 -0.461 -4.743 1.00 0.00 C ATOM 1264 CD2 PHE A 83 28.125 -1.433 -2.700 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.668 -0.078 -5.042 1.00 0.00 C ATOM 1266 CE2 PHE A 83 29.421 -1.053 -2.993 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.693 -0.376 -4.166 1.00 0.00 C ATOM 0 H PHE A 83 23.352 -1.914 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 83 25.371 -0.259 -1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.705 -2.459 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 83 25.164 -1.808 -4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 83 26.575 -0.227 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 83 27.918 -1.963 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 83 28.877 0.453 -5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 83 30.221 -1.285 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.706 -0.080 -4.398 1.00 0.00 H new ATOM 1277 N SER A 84 23.920 0.845 -4.302 1.00 0.00 N ATOM 1278 CA SER A 84 23.778 2.009 -5.170 1.00 0.00 C ATOM 1279 C SER A 84 23.397 3.246 -4.363 1.00 0.00 C ATOM 1280 O SER A 84 24.141 4.226 -4.320 1.00 0.00 O ATOM 1281 CB SER A 84 22.724 1.743 -6.246 1.00 0.00 C ATOM 1282 OG SER A 84 23.026 0.567 -6.977 1.00 0.00 O ATOM 0 H SER A 84 23.263 0.090 -4.498 1.00 0.00 H new ATOM 0 HA SER A 84 24.739 2.193 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.743 1.644 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.671 2.594 -6.925 1.00 0.00 H new ATOM 0 HG SER A 84 22.200 0.068 -7.149 1.00 0.00 H new ATOM 1288 N ILE A 85 22.233 3.192 -3.725 1.00 0.00 N ATOM 1289 CA ILE A 85 21.752 4.307 -2.918 1.00 0.00 C ATOM 1290 C ILE A 85 22.753 4.666 -1.825 1.00 0.00 C ATOM 1291 O ILE A 85 22.918 5.836 -1.481 1.00 0.00 O ATOM 1292 CB ILE A 85 20.392 3.987 -2.269 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.953 5.138 -1.361 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.473 2.686 -1.485 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.510 5.042 -0.920 1.00 0.00 C ATOM 0 H ILE A 85 21.605 2.388 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 85 21.633 5.156 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 85 19.648 3.867 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.593 5.159 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 85 20.102 6.082 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.505 2.473 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.746 1.873 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.227 2.779 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.268 5.890 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.861 5.052 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.360 4.115 -0.367 1.00 0.00 H new ATOM 1307 N TRP A 86 23.418 3.652 -1.284 1.00 0.00 N ATOM 1308 CA TRP A 86 24.405 3.861 -0.230 1.00 0.00 C ATOM 1309 C TRP A 86 25.340 5.012 -0.581 1.00 0.00 C ATOM 1310 O TRP A 86 25.601 5.886 0.245 1.00 0.00 O ATOM 1311 CB TRP A 86 25.212 2.583 0.001 1.00 0.00 C ATOM 1312 CG TRP A 86 26.113 2.657 1.197 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.770 3.052 2.458 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.506 2.330 1.242 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.865 2.990 3.285 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.943 2.550 2.563 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.427 1.872 0.296 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 29.259 2.327 2.958 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.733 1.651 0.689 1.00 0.00 C ATOM 1320 CH2 TRP A 86 30.139 1.878 2.011 1.00 0.00 C ATOM 0 H TRP A 86 23.292 2.677 -1.557 1.00 0.00 H new ATOM 0 HA TRP A 86 23.873 4.117 0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.525 1.745 0.124 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.812 2.376 -0.885 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.782 3.367 2.761 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.874 3.232 4.276 1.00 0.00 H new ATOM 0 HE3 TRP A 86 28.123 1.694 -0.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.574 2.502 3.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.453 1.298 -0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 86 31.167 1.695 2.288 1.00 0.00 H new ATOM 1331 N ARG A 87 25.843 5.006 -1.812 1.00 0.00 N ATOM 1332 CA ARG A 87 26.751 6.051 -2.271 1.00 0.00 C ATOM 1333 C ARG A 87 26.026 7.388 -2.389 1.00 0.00 C ATOM 1334 O ARG A 87 26.612 8.446 -2.157 1.00 0.00 O ATOM 1335 CB ARG A 87 27.361 5.668 -3.621 1.00 0.00 C ATOM 1336 CG ARG A 87 28.052 4.315 -3.615 1.00 0.00 C ATOM 1337 CD ARG A 87 29.440 4.401 -2.999 1.00 0.00 C ATOM 1338 NE ARG A 87 30.346 5.218 -3.801 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.669 5.131 -3.734 1.00 0.00 C ATOM 1340 NH1 ARG A 87 32.239 4.266 -2.906 1.00 0.00 N ATOM 1341 NH2 ARG A 87 32.426 5.909 -4.497 1.00 0.00 N ATOM 0 H ARG A 87 25.637 4.290 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 87 27.549 6.154 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.575 5.662 -4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 87 28.080 6.432 -3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.449 3.600 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.128 3.940 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.366 4.821 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.853 3.398 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 87 29.940 5.893 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 87 31.661 3.665 -2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 87 33.256 4.201 -2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.992 6.575 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 87 33.442 5.841 -4.445 1.00 0.00 H new ATOM 1355 N HIS A 88 24.748 7.333 -2.752 1.00 0.00 N ATOM 1356 CA HIS A 88 23.943 8.540 -2.900 1.00 0.00 C ATOM 1357 C HIS A 88 23.730 9.221 -1.552 1.00 0.00 C ATOM 1358 O HIS A 88 23.479 10.424 -1.487 1.00 0.00 O ATOM 1359 CB HIS A 88 22.593 8.203 -3.534 1.00 0.00 C ATOM 1360 CG HIS A 88 21.545 9.248 -3.302 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.417 10.373 -4.089 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.572 9.333 -2.365 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.411 11.105 -3.645 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.881 10.496 -2.600 1.00 0.00 N ATOM 0 H HIS A 88 24.248 6.466 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 88 24.481 9.228 -3.552 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.728 8.068 -4.607 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.241 7.252 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.376 8.619 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.078 12.043 -4.065 1.00 0.00 H new ATOM 0 HE2 HIS A 88 19.087 10.834 -2.056 1.00 0.00 H new ATOM 1372 N GLN A 89 23.832 8.443 -0.479 1.00 0.00 N ATOM 1373 CA GLN A 89 23.648 8.971 0.868 1.00 0.00 C ATOM 1374 C GLN A 89 24.991 9.308 1.508 1.00 0.00 C ATOM 1375 O GLN A 89 25.068 10.139 2.413 1.00 0.00 O ATOM 1376 CB GLN A 89 22.895 7.962 1.736 1.00 0.00 C ATOM 1377 CG GLN A 89 21.549 7.550 1.161 1.00 0.00 C ATOM 1378 CD GLN A 89 20.860 6.487 1.993 1.00 0.00 C ATOM 1379 OE1 GLN A 89 21.508 5.737 2.723 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.538 6.417 1.888 1.00 0.00 N ATOM 0 H GLN A 89 24.041 7.445 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 89 23.060 9.886 0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.513 7.073 1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.742 8.390 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.904 8.426 1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.690 7.177 0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.041 7.059 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.020 5.721 2.425 1.00 0.00 H new ATOM 1389 N VAL A 90 26.048 8.656 1.032 1.00 0.00 N ATOM 1390 CA VAL A 90 27.388 8.887 1.558 1.00 0.00 C ATOM 1391 C VAL A 90 28.117 9.957 0.752 1.00 0.00 C ATOM 1392 O VAL A 90 29.050 10.590 1.245 1.00 0.00 O ATOM 1393 CB VAL A 90 28.225 7.594 1.549 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.675 7.894 1.898 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.636 6.573 2.511 1.00 0.00 C ATOM 0 H VAL A 90 26.002 7.964 0.284 1.00 0.00 H new ATOM 0 HA VAL A 90 27.270 9.228 2.587 1.00 0.00 H new ATOM 0 HB VAL A 90 28.199 7.171 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 90 30.251 6.969 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 90 30.089 8.588 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.725 8.341 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 90 28.239 5.665 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.631 6.985 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.615 6.336 2.210 1.00 0.00 H new ATOM 1405 N GLU A 91 27.685 10.153 -0.489 1.00 0.00 N ATOM 1406 CA GLU A 91 28.297 11.146 -1.363 1.00 0.00 C ATOM 1407 C GLU A 91 27.539 12.469 -1.299 1.00 0.00 C ATOM 1408 O GLU A 91 28.141 13.541 -1.249 1.00 0.00 O ATOM 1409 CB GLU A 91 28.334 10.636 -2.805 1.00 0.00 C ATOM 1410 CG GLU A 91 29.258 9.446 -3.007 1.00 0.00 C ATOM 1411 CD GLU A 91 29.875 9.414 -4.391 1.00 0.00 C ATOM 1412 OE1 GLU A 91 29.200 9.838 -5.352 1.00 0.00 O ATOM 1413 OE2 GLU A 91 31.034 8.965 -4.513 1.00 0.00 O ATOM 0 H GLU A 91 26.913 9.637 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 91 29.317 11.315 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.325 10.357 -3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.652 11.447 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.052 9.476 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.699 8.525 -2.841 1.00 0.00 H new ATOM 1420 N VAL A 92 26.212 12.384 -1.303 1.00 0.00 N ATOM 1421 CA VAL A 92 25.370 13.573 -1.245 1.00 0.00 C ATOM 1422 C VAL A 92 25.096 13.982 0.198 1.00 0.00 C ATOM 1423 O VAL A 92 25.541 15.037 0.652 1.00 0.00 O ATOM 1424 CB VAL A 92 24.029 13.347 -1.967 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.226 14.637 -2.019 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.264 12.798 -3.366 1.00 0.00 C ATOM 0 H VAL A 92 25.697 11.504 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 92 25.915 14.372 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 92 23.453 12.612 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.282 14.457 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.027 14.983 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 92 23.793 15.397 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.306 12.644 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 92 24.860 13.508 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.795 11.848 -3.300 1.00 0.00 H new ATOM 1436 N HIS A 93 24.359 13.140 0.916 1.00 0.00 N ATOM 1437 CA HIS A 93 24.025 13.413 2.309 1.00 0.00 C ATOM 1438 C HIS A 93 25.241 13.212 3.209 1.00 0.00 C ATOM 1439 O HIS A 93 25.370 13.859 4.248 1.00 0.00 O ATOM 1440 CB HIS A 93 22.881 12.509 2.768 1.00 0.00 C ATOM 1441 CG HIS A 93 21.626 12.678 1.969 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.590 13.500 2.360 1.00 0.00 N ATOM 1443 CD2 HIS A 93 21.244 12.127 0.794 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.624 13.445 1.460 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.996 12.619 0.499 1.00 0.00 N ATOM 0 H HIS A 93 23.982 12.263 0.556 1.00 0.00 H new ATOM 0 HA HIS A 93 23.708 14.453 2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 93 23.203 11.470 2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.665 12.715 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.814 11.430 0.198 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.689 13.984 1.503 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.446 12.385 -0.328 1.00 0.00 H new ATOM 1453 N ASN A 94 26.129 12.311 2.802 1.00 0.00 N ATOM 1454 CA ASN A 94 27.334 12.024 3.572 1.00 0.00 C ATOM 1455 C ASN A 94 26.981 11.428 4.932 1.00 0.00 C ATOM 1456 O ASN A 94 27.468 11.885 5.965 1.00 0.00 O ATOM 1457 CB ASN A 94 28.160 13.298 3.760 1.00 0.00 C ATOM 1458 CG ASN A 94 28.065 14.229 2.567 1.00 0.00 C ATOM 1459 OD1 ASN A 94 28.611 13.948 1.501 1.00 0.00 O ATOM 1460 ND2 ASN A 94 27.369 15.347 2.743 1.00 0.00 N ATOM 0 H ASN A 94 26.037 11.767 1.944 1.00 0.00 H new ATOM 0 HA ASN A 94 27.925 11.295 3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.819 13.821 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 94 29.203 13.030 3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 94 27.271 16.013 1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 94 26.933 15.540 3.645 1.00 0.00 H new ATOM 1467 N GLN A 95 26.132 10.405 4.921 1.00 0.00 N ATOM 1468 CA GLN A 95 25.714 9.747 6.154 1.00 0.00 C ATOM 1469 C GLN A 95 26.179 8.295 6.179 1.00 0.00 C ATOM 1470 O GLN A 95 25.563 7.425 5.564 1.00 0.00 O ATOM 1471 CB GLN A 95 24.193 9.812 6.301 1.00 0.00 C ATOM 1472 CG GLN A 95 23.702 11.075 6.989 1.00 0.00 C ATOM 1473 CD GLN A 95 24.103 11.139 8.449 1.00 0.00 C ATOM 1474 OE1 GLN A 95 25.195 11.599 8.785 1.00 0.00 O ATOM 1475 NE2 GLN A 95 23.221 10.675 9.327 1.00 0.00 N ATOM 0 H GLN A 95 25.721 10.014 4.073 1.00 0.00 H new ATOM 0 HA GLN A 95 26.175 10.271 6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.738 9.746 5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.854 8.944 6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.101 11.946 6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.616 11.127 6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 95 22.328 10.303 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 95 23.437 10.691 10.324 1.00 0.00 H new ATOM 1484 N ASN A 96 27.269 8.040 6.895 1.00 0.00 N ATOM 1485 CA ASN A 96 27.816 6.692 7.000 1.00 0.00 C ATOM 1486 C ASN A 96 27.175 5.933 8.158 1.00 0.00 C ATOM 1487 O ASN A 96 27.865 5.297 8.954 1.00 0.00 O ATOM 1488 CB ASN A 96 29.333 6.749 7.191 1.00 0.00 C ATOM 1489 CG ASN A 96 29.741 7.685 8.312 1.00 0.00 C ATOM 1490 OD1 ASN A 96 30.164 8.815 8.069 1.00 0.00 O ATOM 1491 ND2 ASN A 96 29.614 7.218 9.549 1.00 0.00 N ATOM 0 H ASN A 96 27.791 8.748 7.411 1.00 0.00 H new ATOM 0 HA ASN A 96 27.592 6.163 6.074 1.00 0.00 H new ATOM 0 HB2 ASN A 96 29.707 5.748 7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 96 29.801 7.074 6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 96 29.872 7.803 10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 96 29.259 6.274 9.704 1.00 0.00 H new