USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 870 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 67 HIS : no HD1:sc= -0.113 K(o=5.7,f=3.8) USER MOD Set 1.2: A 71 CYS SG : rot 106:sc= 1.46 USER MOD Set 1.3: A 76 CYS SG : rot 135:sc= 0.708 USER MOD Set 1.4: A 81 CYS SG : rot -166:sc= 0.714 USER MOD Set 1.5: A 85 LYS NZ :NH3+ 146:sc= 2.97 (180deg=0.977) USER MOD Set 2.1: A 42 HIS : no HE2:sc= -0.662 K(o=5.7,f=4.5) USER MOD Set 2.2: A 43 THR OG1 : rot -56:sc= 1.36 USER MOD Set 2.3: A 46 CYS SG : rot 122:sc= 0.96 USER MOD Set 2.4: A 54 CYS SG : rot -156:sc= 2.16 USER MOD Set 2.5: A 57 CYS SG : rot 133:sc= 1.87 USER MOD Set 3.1: A 16 SER OG : rot 73:sc= 1.21 USER MOD Set 3.2: A 32 SER OG : rot 162:sc= 0.644 USER MOD Set 4.1: A 19 HIS : no HD1:sc= -0.917 X(o=7.8,f=7.3) USER MOD Set 4.2: A 23 CYS SG : rot 45:sc= 1.22 USER MOD Set 4.3: A 25 ASN : amide:sc= 1.02 K(o=7.8,f=5.4) USER MOD Set 4.4: A 28 CYS SG : rot 135:sc= 2.58 USER MOD Set 4.5: A 33 CYS SG : rot -164:sc= 0.819 USER MOD Set 4.6: A 37 LYS NZ :NH3+ 159:sc= 3.07 (180deg=1.17) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 80:sc= 1.17 USER MOD Single : A 11 GLN : amide:sc= -0.0387 X(o=-0.039,f=-0.43) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 78:sc= 0.0883 USER MOD Single : A 22 GLN : amide:sc= 0.897 K(o=0.9,f=0) USER MOD Single : A 27 ASN : amide:sc=-0.00111 X(o=-0.0011,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.21 K(o=1.2,f=-0.41) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 1.12 (180deg=0.711) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.136 (180deg=-0.136) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 1.1 (180deg=0.849) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.09) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.982 K(o=0.98,f=-1.2) USER MOD Single : A 64 CYS SG : rot 78:sc= 0.292 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.587 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.08) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 86 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.062) USER MOD Single : A 87 LYS NZ :NH3+ -128:sc= 1.13 (180deg=0.263) USER MOD Single : B 722 ASN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : B 726 MET CE :methyl 175:sc= 0 (180deg=-0.0448) USER MOD Single : B 727 SER OG : rot 180:sc= 0.24 USER MOD Single : B 735 SER OG : rot 180:sc= 0 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 745 SER OG : rot 57:sc= 0.0635 USER MOD Single : B 746 MET CE :methyl -105:sc= -2.66 (180deg=-6.02!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 50.985 -13.133 28.356 1.00 0.00 N ATOM 44 CA GLU A 4 50.501 -14.445 27.910 1.00 0.00 C ATOM 45 C GLU A 4 48.998 -14.460 27.596 1.00 0.00 C ATOM 46 O GLU A 4 48.574 -15.253 26.761 1.00 0.00 O ATOM 47 CB GLU A 4 50.799 -15.496 28.991 1.00 0.00 C ATOM 48 CG GLU A 4 52.271 -15.911 29.017 1.00 0.00 C ATOM 49 CD GLU A 4 52.575 -16.835 30.211 1.00 0.00 C ATOM 50 OE1 GLU A 4 52.920 -16.320 31.303 1.00 0.00 O ATOM 51 OE2 GLU A 4 52.498 -18.079 30.061 1.00 0.00 O ATOM 0 HA GLU A 4 51.026 -14.676 26.983 1.00 0.00 H new ATOM 0 HB2 GLU A 4 50.520 -15.098 29.967 1.00 0.00 H new ATOM 0 HB3 GLU A 4 50.180 -16.376 28.817 1.00 0.00 H new ATOM 0 HG2 GLU A 4 52.523 -16.421 28.087 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.900 -15.022 29.074 1.00 0.00 H new ATOM 58 N SER A 5 48.189 -13.595 28.223 1.00 0.00 N ATOM 59 CA SER A 5 46.733 -13.524 28.011 1.00 0.00 C ATOM 60 C SER A 5 46.345 -13.495 26.525 1.00 0.00 C ATOM 61 O SER A 5 45.500 -14.283 26.088 1.00 0.00 O ATOM 62 CB SER A 5 46.168 -12.306 28.755 1.00 0.00 C ATOM 63 OG SER A 5 44.755 -12.263 28.649 1.00 0.00 O ATOM 0 H SER A 5 48.530 -12.914 28.902 1.00 0.00 H new ATOM 0 HA SER A 5 46.294 -14.436 28.415 1.00 0.00 H new ATOM 0 HB2 SER A 5 46.457 -12.349 29.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 46.596 -11.392 28.344 1.00 0.00 H new ATOM 0 HG SER A 5 44.414 -11.481 29.131 1.00 0.00 H new ATOM 69 N ARG A 6 47.005 -12.645 25.718 1.00 0.00 N ATOM 70 CA ARG A 6 46.784 -12.554 24.265 1.00 0.00 C ATOM 71 C ARG A 6 47.154 -13.859 23.553 1.00 0.00 C ATOM 72 O ARG A 6 46.334 -14.422 22.831 1.00 0.00 O ATOM 73 CB ARG A 6 47.594 -11.376 23.690 1.00 0.00 C ATOM 74 CG ARG A 6 47.198 -10.029 24.318 1.00 0.00 C ATOM 75 CD ARG A 6 47.955 -8.852 23.694 1.00 0.00 C ATOM 76 NE ARG A 6 49.416 -8.928 23.891 1.00 0.00 N ATOM 77 CZ ARG A 6 50.123 -8.523 24.927 1.00 0.00 C ATOM 78 NH1 ARG A 6 49.613 -7.999 26.003 1.00 0.00 N ATOM 79 NH2 ARG A 6 51.411 -8.637 24.886 1.00 0.00 N ATOM 0 H ARG A 6 47.714 -11.996 26.060 1.00 0.00 H new ATOM 0 HA ARG A 6 45.722 -12.381 24.093 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.656 -11.553 23.857 1.00 0.00 H new ATOM 0 HB3 ARG A 6 47.445 -11.329 22.611 1.00 0.00 H new ATOM 0 HG2 ARG A 6 46.126 -9.875 24.195 1.00 0.00 H new ATOM 0 HG3 ARG A 6 47.395 -10.058 25.390 1.00 0.00 H new ATOM 0 HD2 ARG A 6 47.741 -8.816 22.626 1.00 0.00 H new ATOM 0 HD3 ARG A 6 47.585 -7.922 24.125 1.00 0.00 H new ATOM 0 HE ARG A 6 49.946 -9.348 23.127 1.00 0.00 H new ATOM 0 HH11 ARG A 6 48.603 -7.879 26.083 1.00 0.00 H new ATOM 0 HH12 ARG A 6 50.223 -7.708 26.767 1.00 0.00 H new ATOM 0 HH21 ARG A 6 51.862 -9.035 24.062 1.00 0.00 H new ATOM 0 HH22 ARG A 6 51.976 -8.329 25.678 1.00 0.00 H new ATOM 93 N ARG A 7 48.372 -14.358 23.791 1.00 0.00 N ATOM 94 CA ARG A 7 48.936 -15.595 23.205 1.00 0.00 C ATOM 95 C ARG A 7 48.049 -16.813 23.443 1.00 0.00 C ATOM 96 O ARG A 7 47.695 -17.532 22.510 1.00 0.00 O ATOM 97 CB ARG A 7 50.345 -15.846 23.769 1.00 0.00 C ATOM 98 CG ARG A 7 51.281 -14.660 23.509 1.00 0.00 C ATOM 99 CD ARG A 7 52.688 -14.931 24.030 1.00 0.00 C ATOM 100 NE ARG A 7 53.552 -13.797 23.667 1.00 0.00 N ATOM 101 CZ ARG A 7 54.779 -13.521 24.040 1.00 0.00 C ATOM 102 NH1 ARG A 7 55.473 -14.287 24.834 1.00 0.00 N ATOM 103 NH2 ARG A 7 55.309 -12.428 23.584 1.00 0.00 N ATOM 0 H ARG A 7 49.026 -13.896 24.424 1.00 0.00 H new ATOM 0 HA ARG A 7 48.991 -15.447 22.126 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.280 -16.030 24.841 1.00 0.00 H new ATOM 0 HB3 ARG A 7 50.763 -16.745 23.316 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.322 -14.456 22.439 1.00 0.00 H new ATOM 0 HG3 ARG A 7 50.880 -13.767 23.989 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.672 -15.062 25.112 1.00 0.00 H new ATOM 0 HD3 ARG A 7 53.078 -15.855 23.603 1.00 0.00 H new ATOM 0 HE ARG A 7 53.133 -13.122 23.027 1.00 0.00 H new ATOM 0 HH11 ARG A 7 55.065 -15.149 25.197 1.00 0.00 H new ATOM 0 HH12 ARG A 7 56.424 -14.025 25.093 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.774 -11.823 22.961 1.00 0.00 H new ATOM 0 HH22 ARG A 7 56.261 -12.174 23.848 1.00 0.00 H new ATOM 117 N LEU A 8 47.665 -17.021 24.700 1.00 0.00 N ATOM 118 CA LEU A 8 46.802 -18.118 25.133 1.00 0.00 C ATOM 119 C LEU A 8 45.382 -17.988 24.551 1.00 0.00 C ATOM 120 O LEU A 8 44.784 -18.999 24.182 1.00 0.00 O ATOM 121 CB LEU A 8 46.822 -18.183 26.674 1.00 0.00 C ATOM 122 CG LEU A 8 48.224 -18.450 27.272 1.00 0.00 C ATOM 123 CD1 LEU A 8 48.189 -18.325 28.793 1.00 0.00 C ATOM 124 CD2 LEU A 8 48.784 -19.827 26.915 1.00 0.00 C ATOM 0 H LEU A 8 47.954 -16.414 25.467 1.00 0.00 H new ATOM 0 HA LEU A 8 47.182 -19.063 24.746 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.441 -17.243 27.073 1.00 0.00 H new ATOM 0 HB3 LEU A 8 46.142 -18.968 27.004 1.00 0.00 H new ATOM 0 HG LEU A 8 48.879 -17.697 26.834 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.183 -18.516 29.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.873 -17.319 29.068 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.486 -19.051 29.202 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.769 -19.948 27.366 1.00 0.00 H new ATOM 0 HD22 LEU A 8 48.115 -20.601 27.292 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.868 -19.916 25.832 1.00 0.00 H new ATOM 136 N SER A 9 44.856 -16.766 24.393 1.00 0.00 N ATOM 137 CA SER A 9 43.548 -16.541 23.752 1.00 0.00 C ATOM 138 C SER A 9 43.590 -16.852 22.249 1.00 0.00 C ATOM 139 O SER A 9 42.662 -17.472 21.730 1.00 0.00 O ATOM 140 CB SER A 9 43.047 -15.110 23.964 1.00 0.00 C ATOM 141 OG SER A 9 42.890 -14.831 25.345 1.00 0.00 O ATOM 0 H SER A 9 45.318 -15.911 24.702 1.00 0.00 H new ATOM 0 HA SER A 9 42.852 -17.228 24.233 1.00 0.00 H new ATOM 0 HB2 SER A 9 43.751 -14.404 23.524 1.00 0.00 H new ATOM 0 HB3 SER A 9 42.095 -14.973 23.450 1.00 0.00 H new ATOM 0 HG SER A 9 43.763 -14.618 25.737 1.00 0.00 H new ATOM 147 N ILE A 10 44.678 -16.499 21.548 1.00 0.00 N ATOM 148 CA ILE A 10 44.871 -16.811 20.118 1.00 0.00 C ATOM 149 C ILE A 10 44.818 -18.330 19.884 1.00 0.00 C ATOM 150 O ILE A 10 44.197 -18.779 18.920 1.00 0.00 O ATOM 151 CB ILE A 10 46.181 -16.175 19.596 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.082 -14.633 19.591 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.523 -16.645 18.170 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.448 -13.954 19.726 1.00 0.00 C ATOM 0 H ILE A 10 45.457 -15.984 21.959 1.00 0.00 H new ATOM 0 HA ILE A 10 44.054 -16.373 19.544 1.00 0.00 H new ATOM 0 HB ILE A 10 46.971 -16.498 20.274 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.608 -14.306 18.665 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.438 -14.311 20.410 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.450 -16.173 17.844 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.645 -17.728 18.163 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.716 -16.367 17.492 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.319 -12.872 19.717 1.00 0.00 H new ATOM 0 HD12 ILE A 10 47.913 -14.256 20.664 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.086 -14.250 18.893 1.00 0.00 H new ATOM 166 N GLN A 11 45.396 -19.142 20.781 1.00 0.00 N ATOM 167 CA GLN A 11 45.314 -20.610 20.695 1.00 0.00 C ATOM 168 C GLN A 11 43.859 -21.118 20.720 1.00 0.00 C ATOM 169 O GLN A 11 43.531 -22.050 19.983 1.00 0.00 O ATOM 170 CB GLN A 11 46.147 -21.281 21.802 1.00 0.00 C ATOM 171 CG GLN A 11 47.659 -21.038 21.690 1.00 0.00 C ATOM 172 CD GLN A 11 48.304 -21.651 20.445 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.773 -22.523 19.769 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.492 -21.213 20.099 1.00 0.00 N ATOM 0 H GLN A 11 45.930 -18.804 21.582 1.00 0.00 H new ATOM 0 HA GLN A 11 45.736 -20.891 19.730 1.00 0.00 H new ATOM 0 HB2 GLN A 11 45.803 -20.917 22.770 1.00 0.00 H new ATOM 0 HB3 GLN A 11 45.961 -22.355 21.780 1.00 0.00 H new ATOM 0 HG2 GLN A 11 47.844 -19.964 21.689 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.147 -21.445 22.576 1.00 0.00 H new ATOM 0 HE21 GLN A 11 49.949 -20.487 20.651 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.959 -21.599 19.278 1.00 0.00 H new ATOM 183 N ARG A 12 42.955 -20.486 21.489 1.00 0.00 N ATOM 184 CA ARG A 12 41.518 -20.838 21.503 1.00 0.00 C ATOM 185 C ARG A 12 40.886 -20.584 20.130 1.00 0.00 C ATOM 186 O ARG A 12 40.119 -21.414 19.638 1.00 0.00 O ATOM 187 CB ARG A 12 40.745 -20.069 22.593 1.00 0.00 C ATOM 188 CG ARG A 12 41.328 -20.247 24.005 1.00 0.00 C ATOM 189 CD ARG A 12 40.521 -19.492 25.070 1.00 0.00 C ATOM 190 NE ARG A 12 39.176 -20.069 25.273 1.00 0.00 N ATOM 191 CZ ARG A 12 38.211 -19.573 26.028 1.00 0.00 C ATOM 192 NH1 ARG A 12 38.359 -18.469 26.707 1.00 0.00 N ATOM 193 NH2 ARG A 12 37.066 -20.184 26.120 1.00 0.00 N ATOM 0 H ARG A 12 43.195 -19.719 22.117 1.00 0.00 H new ATOM 0 HA ARG A 12 41.450 -21.901 21.736 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.740 -19.008 22.343 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.707 -20.402 22.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 41.351 -21.308 24.255 1.00 0.00 H new ATOM 0 HG3 ARG A 12 42.359 -19.894 24.017 1.00 0.00 H new ATOM 0 HD2 ARG A 12 41.066 -19.508 26.014 1.00 0.00 H new ATOM 0 HD3 ARG A 12 40.424 -18.447 24.775 1.00 0.00 H new ATOM 0 HE ARG A 12 38.971 -20.938 24.780 1.00 0.00 H new ATOM 0 HH11 ARG A 12 39.241 -17.959 26.665 1.00 0.00 H new ATOM 0 HH12 ARG A 12 37.592 -18.116 27.279 1.00 0.00 H new ATOM 0 HH21 ARG A 12 36.908 -21.052 25.608 1.00 0.00 H new ATOM 0 HH22 ARG A 12 36.326 -19.795 26.705 1.00 0.00 H new ATOM 207 N CYS A 13 41.244 -19.474 19.483 1.00 0.00 N ATOM 208 CA CYS A 13 40.787 -19.141 18.132 1.00 0.00 C ATOM 209 C CYS A 13 41.347 -20.131 17.095 1.00 0.00 C ATOM 210 O CYS A 13 40.613 -20.558 16.206 1.00 0.00 O ATOM 211 CB CYS A 13 41.160 -17.693 17.792 1.00 0.00 C ATOM 212 SG CYS A 13 40.366 -16.559 18.969 1.00 0.00 S ATOM 0 H CYS A 13 41.866 -18.773 19.886 1.00 0.00 H new ATOM 0 HA CYS A 13 39.701 -19.228 18.100 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.242 -17.569 17.827 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.845 -17.456 16.776 1.00 0.00 H new ATOM 0 HG CYS A 13 40.688 -15.334 18.676 1.00 0.00 H new ATOM 218 N ILE A 14 42.614 -20.548 17.222 1.00 0.00 N ATOM 219 CA ILE A 14 43.230 -21.562 16.346 1.00 0.00 C ATOM 220 C ILE A 14 42.458 -22.882 16.463 1.00 0.00 C ATOM 221 O ILE A 14 42.046 -23.437 15.446 1.00 0.00 O ATOM 222 CB ILE A 14 44.735 -21.715 16.670 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.478 -20.450 16.196 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.356 -22.959 16.006 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.854 -20.244 16.821 1.00 0.00 C ATOM 0 H ILE A 14 43.246 -20.191 17.938 1.00 0.00 H new ATOM 0 HA ILE A 14 43.169 -21.240 15.306 1.00 0.00 H new ATOM 0 HB ILE A 14 44.835 -21.842 17.748 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.590 -20.496 15.113 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.861 -19.579 16.416 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.413 -23.020 16.265 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.844 -23.854 16.359 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.251 -22.884 14.924 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.299 -19.330 16.427 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.753 -20.162 17.903 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.494 -21.093 16.580 1.00 0.00 H new ATOM 237 N GLN A 15 42.189 -23.357 17.687 1.00 0.00 N ATOM 238 CA GLN A 15 41.384 -24.565 17.915 1.00 0.00 C ATOM 239 C GLN A 15 39.968 -24.425 17.326 1.00 0.00 C ATOM 240 O GLN A 15 39.466 -25.367 16.711 1.00 0.00 O ATOM 241 CB GLN A 15 41.325 -24.896 19.413 1.00 0.00 C ATOM 242 CG GLN A 15 42.676 -25.416 19.926 1.00 0.00 C ATOM 243 CD GLN A 15 42.544 -26.034 21.312 1.00 0.00 C ATOM 244 OE1 GLN A 15 42.823 -25.427 22.338 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.099 -27.272 21.388 1.00 0.00 N ATOM 0 H GLN A 15 42.522 -22.916 18.544 1.00 0.00 H new ATOM 0 HA GLN A 15 41.870 -25.391 17.396 1.00 0.00 H new ATOM 0 HB2 GLN A 15 41.040 -24.005 19.973 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.554 -25.645 19.591 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.070 -26.158 19.231 1.00 0.00 H new ATOM 0 HG3 GLN A 15 43.394 -24.597 19.958 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.865 -27.783 20.537 1.00 0.00 H new ATOM 0 HE22 GLN A 15 41.989 -27.719 22.298 1.00 0.00 H new ATOM 254 N SER A 16 39.343 -23.250 17.457 1.00 0.00 N ATOM 255 CA SER A 16 38.018 -22.962 16.886 1.00 0.00 C ATOM 256 C SER A 16 38.022 -23.035 15.353 1.00 0.00 C ATOM 257 O SER A 16 37.126 -23.642 14.766 1.00 0.00 O ATOM 258 CB SER A 16 37.517 -21.582 17.318 1.00 0.00 C ATOM 259 OG SER A 16 37.330 -21.513 18.722 1.00 0.00 O ATOM 0 H SER A 16 39.745 -22.463 17.967 1.00 0.00 H new ATOM 0 HA SER A 16 37.346 -23.730 17.269 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.232 -20.820 17.007 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.577 -21.361 16.813 1.00 0.00 H new ATOM 0 HG SER A 16 38.202 -21.475 19.167 1.00 0.00 H new ATOM 265 N LEU A 17 39.032 -22.456 14.686 1.00 0.00 N ATOM 266 CA LEU A 17 39.163 -22.508 13.225 1.00 0.00 C ATOM 267 C LEU A 17 39.464 -23.939 12.752 1.00 0.00 C ATOM 268 O LEU A 17 38.849 -24.407 11.796 1.00 0.00 O ATOM 269 CB LEU A 17 40.230 -21.498 12.761 1.00 0.00 C ATOM 270 CG LEU A 17 40.419 -21.417 11.230 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.134 -21.086 10.457 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.452 -20.339 10.902 1.00 0.00 C ATOM 0 H LEU A 17 39.781 -21.938 15.146 1.00 0.00 H new ATOM 0 HA LEU A 17 38.216 -22.223 12.767 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.961 -20.509 13.133 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.184 -21.762 13.218 1.00 0.00 H new ATOM 0 HG LEU A 17 40.743 -22.410 10.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.351 -21.047 9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.386 -21.856 10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.751 -20.119 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.587 -20.281 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 17 41.105 -19.376 11.277 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.402 -20.590 11.373 1.00 0.00 H new ATOM 284 N VAL A 18 40.357 -24.662 13.440 1.00 0.00 N ATOM 285 CA VAL A 18 40.681 -26.073 13.152 1.00 0.00 C ATOM 286 C VAL A 18 39.424 -26.945 13.258 1.00 0.00 C ATOM 287 O VAL A 18 39.171 -27.762 12.370 1.00 0.00 O ATOM 288 CB VAL A 18 41.798 -26.573 14.092 1.00 0.00 C ATOM 289 CG1 VAL A 18 41.928 -28.100 14.093 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.157 -25.993 13.686 1.00 0.00 C ATOM 0 H VAL A 18 40.885 -24.281 14.225 1.00 0.00 H new ATOM 0 HA VAL A 18 41.050 -26.147 12.129 1.00 0.00 H new ATOM 0 HB VAL A 18 41.515 -26.237 15.090 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.728 -28.397 14.771 1.00 0.00 H new ATOM 0 HG12 VAL A 18 40.989 -28.545 14.423 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.159 -28.446 13.086 1.00 0.00 H new ATOM 0 HG21 VAL A 18 43.927 -26.361 14.364 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.394 -26.300 12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.118 -24.905 13.737 1.00 0.00 H new ATOM 300 N HIS A 19 38.613 -26.755 14.305 1.00 0.00 N ATOM 301 CA HIS A 19 37.332 -27.444 14.471 1.00 0.00 C ATOM 302 C HIS A 19 36.414 -27.109 13.284 1.00 0.00 C ATOM 303 O HIS A 19 35.970 -28.015 12.583 1.00 0.00 O ATOM 304 CB HIS A 19 36.695 -27.049 15.819 1.00 0.00 C ATOM 305 CG HIS A 19 35.313 -27.618 16.055 1.00 0.00 C ATOM 306 ND1 HIS A 19 34.970 -28.618 16.940 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.148 -27.212 15.455 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.638 -28.810 16.861 1.00 0.00 C ATOM 309 NE2 HIS A 19 33.088 -27.978 15.959 1.00 0.00 N ATOM 0 H HIS A 19 38.831 -26.113 15.067 1.00 0.00 H new ATOM 0 HA HIS A 19 37.486 -28.523 14.484 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.351 -27.377 16.625 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.640 -25.962 15.875 1.00 0.00 H new ATOM 0 HD2 HIS A 19 34.062 -26.430 14.715 1.00 0.00 H new ATOM 0 HE1 HIS A 19 33.087 -29.534 17.443 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.104 -27.917 15.696 1.00 0.00 H new ATOM 317 N ALA A 20 36.176 -25.821 13.013 1.00 0.00 N ATOM 318 CA ALA A 20 35.330 -25.348 11.915 1.00 0.00 C ATOM 319 C ALA A 20 35.743 -25.863 10.522 1.00 0.00 C ATOM 320 O ALA A 20 34.879 -26.100 9.678 1.00 0.00 O ATOM 321 CB ALA A 20 35.314 -23.822 11.955 1.00 0.00 C ATOM 0 H ALA A 20 36.576 -25.062 13.565 1.00 0.00 H new ATOM 0 HA ALA A 20 34.332 -25.758 12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.690 -23.443 11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.911 -23.487 12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.330 -23.444 11.837 1.00 0.00 H new ATOM 327 N CYS A 21 37.043 -26.071 10.276 1.00 0.00 N ATOM 328 CA CYS A 21 37.551 -26.620 9.014 1.00 0.00 C ATOM 329 C CYS A 21 37.109 -28.080 8.781 1.00 0.00 C ATOM 330 O CYS A 21 36.995 -28.519 7.633 1.00 0.00 O ATOM 331 CB CYS A 21 39.083 -26.497 9.006 1.00 0.00 C ATOM 332 SG CYS A 21 39.549 -24.759 8.757 1.00 0.00 S ATOM 0 H CYS A 21 37.777 -25.861 10.953 1.00 0.00 H new ATOM 0 HA CYS A 21 37.126 -26.045 8.191 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.493 -26.863 9.947 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.504 -27.115 8.213 1.00 0.00 H new ATOM 0 HG CYS A 21 39.410 -24.108 9.874 1.00 0.00 H new ATOM 338 N GLN A 22 36.813 -28.826 9.850 1.00 0.00 N ATOM 339 CA GLN A 22 36.366 -30.226 9.816 1.00 0.00 C ATOM 340 C GLN A 22 34.849 -30.346 10.040 1.00 0.00 C ATOM 341 O GLN A 22 34.210 -31.258 9.508 1.00 0.00 O ATOM 342 CB GLN A 22 37.114 -31.003 10.912 1.00 0.00 C ATOM 343 CG GLN A 22 38.639 -31.029 10.712 1.00 0.00 C ATOM 344 CD GLN A 22 39.351 -31.488 11.979 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.606 -32.664 12.201 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.690 -30.570 12.860 1.00 0.00 N ATOM 0 H GLN A 22 36.880 -28.459 10.799 1.00 0.00 H new ATOM 0 HA GLN A 22 36.585 -30.638 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 22 36.890 -30.556 11.881 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.741 -32.027 10.939 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.889 -31.697 9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 22 38.989 -30.035 10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.480 -29.588 12.680 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.163 -30.841 13.722 1.00 0.00 H new ATOM 355 N CYS A 23 34.277 -29.421 10.814 1.00 0.00 N ATOM 356 CA CYS A 23 32.866 -29.343 11.151 1.00 0.00 C ATOM 357 C CYS A 23 32.009 -28.876 9.959 1.00 0.00 C ATOM 358 O CYS A 23 32.484 -28.195 9.043 1.00 0.00 O ATOM 359 CB CYS A 23 32.728 -28.422 12.371 1.00 0.00 C ATOM 360 SG CYS A 23 31.085 -28.584 13.116 1.00 0.00 S ATOM 0 H CYS A 23 34.819 -28.670 11.241 1.00 0.00 H new ATOM 0 HA CYS A 23 32.487 -30.335 11.397 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.492 -28.670 13.108 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.896 -27.387 12.072 1.00 0.00 H new ATOM 0 HG CYS A 23 30.774 -29.843 13.211 1.00 0.00 H new ATOM 365 N ARG A 24 30.727 -29.246 9.974 1.00 0.00 N ATOM 366 CA ARG A 24 29.736 -28.959 8.917 1.00 0.00 C ATOM 367 C ARG A 24 28.384 -28.461 9.446 1.00 0.00 C ATOM 368 O ARG A 24 27.551 -28.008 8.663 1.00 0.00 O ATOM 369 CB ARG A 24 29.543 -30.237 8.080 1.00 0.00 C ATOM 370 CG ARG A 24 30.821 -30.795 7.413 1.00 0.00 C ATOM 371 CD ARG A 24 31.448 -29.842 6.382 1.00 0.00 C ATOM 372 NE ARG A 24 32.730 -30.369 5.863 1.00 0.00 N ATOM 373 CZ ARG A 24 33.954 -29.940 6.132 1.00 0.00 C ATOM 374 NH1 ARG A 24 34.212 -28.987 6.977 1.00 0.00 N ATOM 375 NH2 ARG A 24 34.985 -30.471 5.539 1.00 0.00 N ATOM 0 H ARG A 24 30.328 -29.775 10.750 1.00 0.00 H new ATOM 0 HA ARG A 24 30.128 -28.141 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.122 -31.011 8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.807 -30.033 7.302 1.00 0.00 H new ATOM 0 HG2 ARG A 24 31.557 -31.015 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 24 30.582 -31.739 6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 24 30.754 -29.692 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 24 31.613 -28.867 6.840 1.00 0.00 H new ATOM 0 HE ARG A 24 32.663 -31.158 5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 24 33.450 -28.526 7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 24 35.177 -28.700 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 24 34.853 -31.223 4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 24 35.924 -30.135 5.751 1.00 0.00 H new ATOM 389 N ASN A 25 28.172 -28.522 10.761 1.00 0.00 N ATOM 390 CA ASN A 25 26.960 -28.055 11.442 1.00 0.00 C ATOM 391 C ASN A 25 26.713 -26.557 11.174 1.00 0.00 C ATOM 392 O ASN A 25 27.549 -25.726 11.537 1.00 0.00 O ATOM 393 CB ASN A 25 27.124 -28.259 12.960 1.00 0.00 C ATOM 394 CG ASN A 25 27.302 -29.688 13.433 1.00 0.00 C ATOM 395 OD1 ASN A 25 26.683 -30.625 12.943 1.00 0.00 O ATOM 396 ND2 ASN A 25 28.157 -29.888 14.407 1.00 0.00 N ATOM 0 H ASN A 25 28.861 -28.911 11.405 1.00 0.00 H new ATOM 0 HA ASN A 25 26.113 -28.626 11.061 1.00 0.00 H new ATOM 0 HB2 ASN A 25 27.986 -27.680 13.291 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.249 -27.841 13.457 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.312 -30.831 14.764 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.667 -29.101 14.808 1.00 0.00 H new ATOM 403 N ALA A 26 25.570 -26.190 10.588 1.00 0.00 N ATOM 404 CA ALA A 26 25.218 -24.784 10.347 1.00 0.00 C ATOM 405 C ALA A 26 24.996 -23.989 11.652 1.00 0.00 C ATOM 406 O ALA A 26 25.178 -22.770 11.685 1.00 0.00 O ATOM 407 CB ALA A 26 23.973 -24.742 9.452 1.00 0.00 C ATOM 0 H ALA A 26 24.865 -26.854 10.268 1.00 0.00 H new ATOM 0 HA ALA A 26 26.057 -24.298 9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 26 23.696 -23.705 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.188 -25.239 8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 26 23.149 -25.252 9.951 1.00 0.00 H new ATOM 413 N ASN A 27 24.614 -24.684 12.732 1.00 0.00 N ATOM 414 CA ASN A 27 24.316 -24.123 14.053 1.00 0.00 C ATOM 415 C ASN A 27 25.059 -24.882 15.182 1.00 0.00 C ATOM 416 O ASN A 27 24.464 -25.190 16.220 1.00 0.00 O ATOM 417 CB ASN A 27 22.782 -24.091 14.262 1.00 0.00 C ATOM 418 CG ASN A 27 21.953 -23.449 13.154 1.00 0.00 C ATOM 419 OD1 ASN A 27 20.908 -23.953 12.768 1.00 0.00 O ATOM 420 ND2 ASN A 27 22.369 -22.336 12.590 1.00 0.00 N ATOM 0 H ASN A 27 24.500 -25.697 12.706 1.00 0.00 H new ATOM 0 HA ASN A 27 24.686 -23.099 14.099 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.435 -25.116 14.396 1.00 0.00 H new ATOM 0 HB3 ASN A 27 22.576 -23.561 15.192 1.00 0.00 H new ATOM 0 HD21 ASN A 27 21.822 -21.907 11.843 1.00 0.00 H new ATOM 0 HD22 ASN A 27 23.238 -21.902 12.899 1.00 0.00 H new ATOM 427 N CYS A 28 26.344 -25.215 14.974 1.00 0.00 N ATOM 428 CA CYS A 28 27.196 -25.920 15.943 1.00 0.00 C ATOM 429 C CYS A 28 27.150 -25.266 17.341 1.00 0.00 C ATOM 430 O CYS A 28 27.034 -24.043 17.458 1.00 0.00 O ATOM 431 CB CYS A 28 28.632 -25.946 15.397 1.00 0.00 C ATOM 432 SG CYS A 28 29.536 -27.391 16.031 1.00 0.00 S ATOM 0 H CYS A 28 26.830 -24.995 14.105 1.00 0.00 H new ATOM 0 HA CYS A 28 26.823 -26.936 16.068 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.611 -25.973 14.308 1.00 0.00 H new ATOM 0 HB3 CYS A 28 29.152 -25.032 15.683 1.00 0.00 H new ATOM 0 HG CYS A 28 30.178 -27.963 15.056 1.00 0.00 H new ATOM 437 N SER A 29 27.241 -26.051 18.416 1.00 0.00 N ATOM 438 CA SER A 29 27.157 -25.525 19.789 1.00 0.00 C ATOM 439 C SER A 29 28.276 -24.548 20.187 1.00 0.00 C ATOM 440 O SER A 29 28.116 -23.812 21.167 1.00 0.00 O ATOM 441 CB SER A 29 27.054 -26.670 20.804 1.00 0.00 C ATOM 442 OG SER A 29 28.202 -27.503 20.755 1.00 0.00 O ATOM 0 H SER A 29 27.374 -27.061 18.366 1.00 0.00 H new ATOM 0 HA SER A 29 26.244 -24.929 19.804 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.941 -26.261 21.808 1.00 0.00 H new ATOM 0 HB3 SER A 29 26.162 -27.262 20.599 1.00 0.00 H new ATOM 0 HG SER A 29 28.112 -28.224 21.413 1.00 0.00 H new ATOM 448 N LEU A 30 29.376 -24.476 19.427 1.00 0.00 N ATOM 449 CA LEU A 30 30.448 -23.501 19.645 1.00 0.00 C ATOM 450 C LEU A 30 30.065 -22.156 18.988 1.00 0.00 C ATOM 451 O LEU A 30 29.771 -22.127 17.787 1.00 0.00 O ATOM 452 CB LEU A 30 31.777 -24.027 19.070 1.00 0.00 C ATOM 453 CG LEU A 30 32.572 -24.949 20.010 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.797 -25.492 19.273 1.00 0.00 C ATOM 455 CD2 LEU A 30 33.075 -24.213 21.260 1.00 0.00 C ATOM 0 H LEU A 30 29.547 -25.099 18.637 1.00 0.00 H new ATOM 0 HA LEU A 30 30.580 -23.347 20.716 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.568 -24.568 18.147 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.404 -23.175 18.805 1.00 0.00 H new ATOM 0 HG LEU A 30 31.897 -25.748 20.318 1.00 0.00 H new ATOM 0 HD11 LEU A 30 34.362 -26.146 19.938 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.475 -26.056 18.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.429 -24.662 18.957 1.00 0.00 H new ATOM 0 HD21 LEU A 30 33.630 -24.906 21.892 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.727 -23.392 20.961 1.00 0.00 H new ATOM 0 HD23 LEU A 30 32.225 -23.817 21.816 1.00 0.00 H new ATOM 467 N PRO A 31 30.084 -21.028 19.726 1.00 0.00 N ATOM 468 CA PRO A 31 29.738 -19.716 19.172 1.00 0.00 C ATOM 469 C PRO A 31 30.730 -19.261 18.092 1.00 0.00 C ATOM 470 O PRO A 31 30.338 -18.622 17.113 1.00 0.00 O ATOM 471 CB PRO A 31 29.707 -18.762 20.373 1.00 0.00 C ATOM 472 CG PRO A 31 30.633 -19.424 21.393 1.00 0.00 C ATOM 473 CD PRO A 31 30.432 -20.912 21.136 1.00 0.00 C ATOM 0 HA PRO A 31 28.775 -19.742 18.661 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.058 -17.767 20.102 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.697 -18.647 20.766 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.671 -19.127 21.246 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.366 -19.153 22.414 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.338 -21.474 21.363 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.641 -21.315 21.768 1.00 0.00 H new ATOM 481 N SER A 32 32.011 -19.618 18.237 1.00 0.00 N ATOM 482 CA SER A 32 33.062 -19.310 17.265 1.00 0.00 C ATOM 483 C SER A 32 32.945 -20.162 15.998 1.00 0.00 C ATOM 484 O SER A 32 33.064 -19.607 14.916 1.00 0.00 O ATOM 485 CB SER A 32 34.441 -19.482 17.900 1.00 0.00 C ATOM 486 OG SER A 32 34.526 -20.750 18.536 1.00 0.00 O ATOM 0 H SER A 32 32.350 -20.137 19.047 1.00 0.00 H new ATOM 0 HA SER A 32 32.934 -18.269 16.967 1.00 0.00 H new ATOM 0 HB2 SER A 32 35.215 -19.395 17.138 1.00 0.00 H new ATOM 0 HB3 SER A 32 34.618 -18.689 18.626 1.00 0.00 H new ATOM 0 HG SER A 32 35.467 -20.976 18.690 1.00 0.00 H new ATOM 492 N CYS A 33 32.669 -21.467 16.089 1.00 0.00 N ATOM 493 CA CYS A 33 32.474 -22.381 14.951 1.00 0.00 C ATOM 494 C CYS A 33 31.453 -21.825 13.929 1.00 0.00 C ATOM 495 O CYS A 33 31.744 -21.726 12.730 1.00 0.00 O ATOM 496 CB CYS A 33 32.068 -23.745 15.541 1.00 0.00 C ATOM 497 SG CYS A 33 31.841 -25.055 14.300 1.00 0.00 S ATOM 0 H CYS A 33 32.571 -21.936 16.989 1.00 0.00 H new ATOM 0 HA CYS A 33 33.393 -22.491 14.375 1.00 0.00 H new ATOM 0 HB2 CYS A 33 32.830 -24.062 16.253 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.140 -23.625 16.100 1.00 0.00 H new ATOM 0 HG CYS A 33 31.183 -26.044 14.828 1.00 0.00 H new ATOM 502 N GLN A 34 30.290 -21.357 14.411 1.00 0.00 N ATOM 503 CA GLN A 34 29.256 -20.711 13.586 1.00 0.00 C ATOM 504 C GLN A 34 29.765 -19.450 12.850 1.00 0.00 C ATOM 505 O GLN A 34 29.220 -19.070 11.811 1.00 0.00 O ATOM 506 CB GLN A 34 28.038 -20.330 14.449 1.00 0.00 C ATOM 507 CG GLN A 34 27.282 -21.529 15.050 1.00 0.00 C ATOM 508 CD GLN A 34 26.001 -21.101 15.779 1.00 0.00 C ATOM 509 OE1 GLN A 34 25.280 -20.201 15.366 1.00 0.00 O ATOM 510 NE2 GLN A 34 25.635 -21.734 16.873 1.00 0.00 N ATOM 0 H GLN A 34 30.038 -21.418 15.398 1.00 0.00 H new ATOM 0 HA GLN A 34 28.973 -21.443 12.830 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.372 -19.683 15.260 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.346 -19.748 13.841 1.00 0.00 H new ATOM 0 HG2 GLN A 34 27.029 -22.231 14.256 1.00 0.00 H new ATOM 0 HG3 GLN A 34 27.935 -22.056 15.746 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.213 -22.488 17.243 1.00 0.00 H new ATOM 0 HE22 GLN A 34 24.773 -21.470 17.351 1.00 0.00 H new ATOM 519 N LYS A 35 30.801 -18.782 13.375 1.00 0.00 N ATOM 520 CA LYS A 35 31.440 -17.588 12.797 1.00 0.00 C ATOM 521 C LYS A 35 32.585 -17.968 11.856 1.00 0.00 C ATOM 522 O LYS A 35 32.637 -17.480 10.732 1.00 0.00 O ATOM 523 CB LYS A 35 31.937 -16.702 13.957 1.00 0.00 C ATOM 524 CG LYS A 35 32.163 -15.248 13.533 1.00 0.00 C ATOM 525 CD LYS A 35 32.818 -14.442 14.667 1.00 0.00 C ATOM 526 CE LYS A 35 32.553 -12.946 14.436 1.00 0.00 C ATOM 527 NZ LYS A 35 33.370 -12.072 15.314 1.00 0.00 N ATOM 0 H LYS A 35 31.236 -19.070 14.251 1.00 0.00 H new ATOM 0 HA LYS A 35 30.717 -17.038 12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.210 -16.731 14.769 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.868 -17.111 14.349 1.00 0.00 H new ATOM 0 HG2 LYS A 35 32.797 -15.218 12.647 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.211 -14.792 13.260 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.414 -14.751 15.631 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.891 -14.634 14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.761 -12.702 13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 35 31.497 -12.739 14.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.897 -11.152 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.479 -12.520 16.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.308 -11.930 14.887 1.00 0.00 H new ATOM 541 N MET A 36 33.459 -18.879 12.278 1.00 0.00 N ATOM 542 CA MET A 36 34.598 -19.399 11.513 1.00 0.00 C ATOM 543 C MET A 36 34.170 -19.953 10.149 1.00 0.00 C ATOM 544 O MET A 36 34.851 -19.721 9.150 1.00 0.00 O ATOM 545 CB MET A 36 35.315 -20.485 12.330 1.00 0.00 C ATOM 546 CG MET A 36 36.069 -19.960 13.557 1.00 0.00 C ATOM 547 SD MET A 36 37.432 -18.836 13.143 1.00 0.00 S ATOM 548 CE MET A 36 38.283 -18.762 14.738 1.00 0.00 C ATOM 0 H MET A 36 33.392 -19.297 13.206 1.00 0.00 H new ATOM 0 HA MET A 36 35.281 -18.571 11.323 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.580 -21.221 12.657 1.00 0.00 H new ATOM 0 HB3 MET A 36 36.019 -21.005 11.681 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.367 -19.442 14.211 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.464 -20.806 14.120 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.151 -18.108 14.657 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.603 -18.371 15.495 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.608 -19.762 15.024 1.00 0.00 H new ATOM 558 N LYS A 37 33.018 -20.634 10.081 1.00 0.00 N ATOM 559 CA LYS A 37 32.446 -21.136 8.819 1.00 0.00 C ATOM 560 C LYS A 37 32.094 -19.988 7.866 1.00 0.00 C ATOM 561 O LYS A 37 32.465 -20.044 6.697 1.00 0.00 O ATOM 562 CB LYS A 37 31.232 -22.027 9.123 1.00 0.00 C ATOM 563 CG LYS A 37 31.690 -23.397 9.649 1.00 0.00 C ATOM 564 CD LYS A 37 30.551 -24.147 10.343 1.00 0.00 C ATOM 565 CE LYS A 37 31.052 -25.520 10.793 1.00 0.00 C ATOM 566 NZ LYS A 37 30.322 -25.978 11.986 1.00 0.00 N ATOM 0 H LYS A 37 32.453 -20.854 10.901 1.00 0.00 H new ATOM 0 HA LYS A 37 33.195 -21.740 8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.593 -21.542 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.634 -22.158 8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.069 -23.996 8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.515 -23.261 10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.195 -23.578 11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.707 -24.260 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.926 -26.241 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.119 -25.469 11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.404 -27.012 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.726 -25.531 12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.319 -25.716 11.901 1.00 0.00 H new ATOM 580 N ARG A 38 31.460 -18.910 8.350 1.00 0.00 N ATOM 581 CA ARG A 38 31.152 -17.715 7.532 1.00 0.00 C ATOM 582 C ARG A 38 32.432 -17.009 7.080 1.00 0.00 C ATOM 583 O ARG A 38 32.558 -16.622 5.921 1.00 0.00 O ATOM 584 CB ARG A 38 30.265 -16.744 8.319 1.00 0.00 C ATOM 585 CG ARG A 38 28.829 -17.264 8.473 1.00 0.00 C ATOM 586 CD ARG A 38 28.021 -16.297 9.342 1.00 0.00 C ATOM 587 NE ARG A 38 28.222 -16.555 10.782 1.00 0.00 N ATOM 588 CZ ARG A 38 27.983 -15.723 11.779 1.00 0.00 C ATOM 589 NH1 ARG A 38 27.580 -14.499 11.585 1.00 0.00 N ATOM 590 NH2 ARG A 38 28.148 -16.114 13.009 1.00 0.00 N ATOM 0 H ARG A 38 31.144 -18.836 9.317 1.00 0.00 H new ATOM 0 HA ARG A 38 30.615 -18.047 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.697 -16.578 9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 38 30.248 -15.779 7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.362 -17.365 7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 38 28.837 -18.255 8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.312 -15.272 9.112 1.00 0.00 H new ATOM 0 HD3 ARG A 38 26.962 -16.389 9.101 1.00 0.00 H new ATOM 0 HE ARG A 38 28.584 -17.475 11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.438 -14.153 10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.406 -13.887 12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.462 -17.064 13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 38 27.963 -15.470 13.778 1.00 0.00 H new ATOM 604 N VAL A 39 33.388 -16.874 7.995 1.00 0.00 N ATOM 605 CA VAL A 39 34.710 -16.272 7.757 1.00 0.00 C ATOM 606 C VAL A 39 35.476 -17.004 6.646 1.00 0.00 C ATOM 607 O VAL A 39 35.894 -16.363 5.680 1.00 0.00 O ATOM 608 CB VAL A 39 35.515 -16.254 9.073 1.00 0.00 C ATOM 609 CG1 VAL A 39 36.969 -15.843 8.897 1.00 0.00 C ATOM 610 CG2 VAL A 39 34.956 -15.247 10.073 1.00 0.00 C ATOM 0 H VAL A 39 33.266 -17.189 8.957 1.00 0.00 H new ATOM 0 HA VAL A 39 34.566 -15.247 7.416 1.00 0.00 H new ATOM 0 HB VAL A 39 35.439 -17.283 9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.470 -15.854 9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.466 -16.542 8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 39 37.015 -14.839 8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.554 -15.269 10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 39 34.990 -14.247 9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.924 -15.504 10.310 1.00 0.00 H new ATOM 620 N VAL A 40 35.644 -18.332 6.735 1.00 0.00 N ATOM 621 CA VAL A 40 36.346 -19.095 5.686 1.00 0.00 C ATOM 622 C VAL A 40 35.572 -19.041 4.361 1.00 0.00 C ATOM 623 O VAL A 40 36.183 -18.813 3.321 1.00 0.00 O ATOM 624 CB VAL A 40 36.708 -20.527 6.132 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.547 -21.524 6.103 1.00 0.00 C ATOM 626 CG2 VAL A 40 37.846 -21.073 5.261 1.00 0.00 C ATOM 0 H VAL A 40 35.308 -18.898 7.514 1.00 0.00 H new ATOM 0 HA VAL A 40 37.306 -18.611 5.509 1.00 0.00 H new ATOM 0 HB VAL A 40 37.007 -20.433 7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 40 35.899 -22.502 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 40 34.755 -21.180 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.159 -21.601 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.096 -22.084 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.530 -21.091 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.722 -20.433 5.364 1.00 0.00 H new ATOM 636 N GLN A 41 34.236 -19.177 4.383 1.00 0.00 N ATOM 637 CA GLN A 41 33.367 -19.055 3.199 1.00 0.00 C ATOM 638 C GLN A 41 33.553 -17.710 2.484 1.00 0.00 C ATOM 639 O GLN A 41 33.624 -17.686 1.254 1.00 0.00 O ATOM 640 CB GLN A 41 31.891 -19.202 3.599 1.00 0.00 C ATOM 641 CG GLN A 41 31.445 -20.650 3.847 1.00 0.00 C ATOM 642 CD GLN A 41 31.231 -21.409 2.540 1.00 0.00 C ATOM 643 OE1 GLN A 41 30.222 -21.270 1.860 1.00 0.00 O ATOM 644 NE2 GLN A 41 32.172 -22.231 2.133 1.00 0.00 N ATOM 0 H GLN A 41 33.719 -19.378 5.239 1.00 0.00 H new ATOM 0 HA GLN A 41 33.653 -19.854 2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.712 -18.619 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.269 -18.772 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.196 -21.164 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.520 -20.652 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.017 -22.355 2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.057 -22.745 1.259 1.00 0.00 H new ATOM 653 N HIS A 42 33.659 -16.604 3.231 1.00 0.00 N ATOM 654 CA HIS A 42 33.920 -15.287 2.645 1.00 0.00 C ATOM 655 C HIS A 42 35.264 -15.300 1.884 1.00 0.00 C ATOM 656 O HIS A 42 35.298 -15.029 0.682 1.00 0.00 O ATOM 657 CB HIS A 42 33.882 -14.193 3.733 1.00 0.00 C ATOM 658 CG HIS A 42 34.555 -12.923 3.269 1.00 0.00 C ATOM 659 ND1 HIS A 42 34.071 -12.043 2.323 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.894 -12.665 3.410 1.00 0.00 C ATOM 661 CE1 HIS A 42 35.108 -11.315 1.868 1.00 0.00 C ATOM 662 NE2 HIS A 42 36.240 -11.664 2.500 1.00 0.00 N ATOM 0 H HIS A 42 33.567 -16.597 4.247 1.00 0.00 H new ATOM 0 HA HIS A 42 33.135 -15.054 1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.847 -13.980 4.000 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.375 -14.558 4.634 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.100 -11.959 2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.564 -13.151 4.104 1.00 0.00 H new ATOM 0 HE1 HIS A 42 35.039 -10.557 1.102 1.00 0.00 H new ATOM 670 N THR A 43 36.362 -15.658 2.561 1.00 0.00 N ATOM 671 CA THR A 43 37.717 -15.688 1.979 1.00 0.00 C ATOM 672 C THR A 43 37.831 -16.639 0.785 1.00 0.00 C ATOM 673 O THR A 43 38.505 -16.328 -0.200 1.00 0.00 O ATOM 674 CB THR A 43 38.739 -16.024 3.073 1.00 0.00 C ATOM 675 OG1 THR A 43 38.834 -14.931 3.953 1.00 0.00 O ATOM 676 CG2 THR A 43 40.142 -16.342 2.560 1.00 0.00 C ATOM 0 H THR A 43 36.338 -15.939 3.541 1.00 0.00 H new ATOM 0 HA THR A 43 37.933 -14.696 1.583 1.00 0.00 H new ATOM 0 HB THR A 43 38.372 -16.928 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.060 -14.123 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.795 -16.567 3.403 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.099 -17.204 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.534 -15.482 2.016 1.00 0.00 H new ATOM 684 N LYS A 44 37.118 -17.772 0.825 1.00 0.00 N ATOM 685 CA LYS A 44 37.015 -18.773 -0.255 1.00 0.00 C ATOM 686 C LYS A 44 36.453 -18.213 -1.580 1.00 0.00 C ATOM 687 O LYS A 44 36.516 -18.907 -2.596 1.00 0.00 O ATOM 688 CB LYS A 44 36.180 -19.962 0.261 1.00 0.00 C ATOM 689 CG LYS A 44 37.033 -20.995 1.011 1.00 0.00 C ATOM 690 CD LYS A 44 36.133 -22.026 1.714 1.00 0.00 C ATOM 691 CE LYS A 44 36.928 -23.207 2.295 1.00 0.00 C ATOM 692 NZ LYS A 44 37.413 -24.137 1.237 1.00 0.00 N ATOM 0 H LYS A 44 36.571 -18.031 1.646 1.00 0.00 H new ATOM 0 HA LYS A 44 38.024 -19.099 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.397 -19.592 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 44 35.684 -20.446 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.700 -21.501 0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.662 -20.492 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.582 -21.535 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.396 -22.403 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 44 37.779 -22.826 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 44 36.299 -23.755 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 37.943 -24.917 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 36.601 -24.522 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 38.035 -23.622 0.581 1.00 0.00 H new ATOM 706 N GLY A 45 35.933 -16.980 -1.593 1.00 0.00 N ATOM 707 CA GLY A 45 35.392 -16.304 -2.777 1.00 0.00 C ATOM 708 C GLY A 45 35.581 -14.777 -2.804 1.00 0.00 C ATOM 709 O GLY A 45 34.893 -14.112 -3.585 1.00 0.00 O ATOM 0 H GLY A 45 35.876 -16.407 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.862 -16.728 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.326 -16.523 -2.846 1.00 0.00 H new ATOM 713 N CYS A 46 36.470 -14.211 -1.976 1.00 0.00 N ATOM 714 CA CYS A 46 36.720 -12.769 -1.893 1.00 0.00 C ATOM 715 C CYS A 46 37.196 -12.156 -3.225 1.00 0.00 C ATOM 716 O CYS A 46 37.891 -12.792 -4.029 1.00 0.00 O ATOM 717 CB CYS A 46 37.699 -12.504 -0.740 1.00 0.00 C ATOM 718 SG CYS A 46 37.888 -10.716 -0.429 1.00 0.00 S ATOM 0 H CYS A 46 37.046 -14.755 -1.333 1.00 0.00 H new ATOM 0 HA CYS A 46 35.776 -12.266 -1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 46 37.341 -12.997 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 46 38.670 -12.939 -0.977 1.00 0.00 H new ATOM 0 HG CYS A 46 37.562 -10.453 0.802 1.00 0.00 H new ATOM 723 N LYS A 47 36.826 -10.889 -3.433 1.00 0.00 N ATOM 724 CA LYS A 47 37.137 -10.069 -4.615 1.00 0.00 C ATOM 725 C LYS A 47 38.182 -8.977 -4.327 1.00 0.00 C ATOM 726 O LYS A 47 38.472 -8.175 -5.219 1.00 0.00 O ATOM 727 CB LYS A 47 35.835 -9.459 -5.177 1.00 0.00 C ATOM 728 CG LYS A 47 34.699 -10.459 -5.460 1.00 0.00 C ATOM 729 CD LYS A 47 35.119 -11.621 -6.376 1.00 0.00 C ATOM 730 CE LYS A 47 33.936 -12.494 -6.817 1.00 0.00 C ATOM 731 NZ LYS A 47 33.229 -13.118 -5.667 1.00 0.00 N ATOM 0 H LYS A 47 36.272 -10.377 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 47 37.585 -10.723 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.470 -8.713 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 36.071 -8.934 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.338 -10.864 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 47 33.864 -9.929 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.616 -11.219 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.848 -12.242 -5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 47 33.232 -11.886 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 47 34.295 -13.276 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.667 -13.926 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 33.926 -13.447 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 32.599 -12.418 -5.225 1.00 0.00 H new ATOM 745 N ARG A 48 38.748 -8.929 -3.111 1.00 0.00 N ATOM 746 CA ARG A 48 39.745 -7.923 -2.688 1.00 0.00 C ATOM 747 C ARG A 48 40.940 -8.522 -1.936 1.00 0.00 C ATOM 748 O ARG A 48 42.058 -8.140 -2.278 1.00 0.00 O ATOM 749 CB ARG A 48 39.069 -6.751 -1.935 1.00 0.00 C ATOM 750 CG ARG A 48 37.965 -7.204 -0.970 1.00 0.00 C ATOM 751 CD ARG A 48 37.531 -6.172 0.076 1.00 0.00 C ATOM 752 NE ARG A 48 37.073 -6.892 1.272 1.00 0.00 N ATOM 753 CZ ARG A 48 36.179 -6.574 2.180 1.00 0.00 C ATOM 754 NH1 ARG A 48 35.486 -5.473 2.190 1.00 0.00 N ATOM 755 NH2 ARG A 48 35.980 -7.388 3.162 1.00 0.00 N ATOM 0 H ARG A 48 38.523 -9.600 -2.377 1.00 0.00 H new ATOM 0 HA ARG A 48 40.182 -7.509 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 48 39.827 -6.202 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 48 38.645 -6.058 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 48 37.091 -7.490 -1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 48 38.307 -8.099 -0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 48 38.362 -5.512 0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 48 36.732 -5.544 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 48 37.527 -7.793 1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 48 35.619 -4.780 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 48 34.810 -5.303 2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 48 36.512 -8.256 3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 48 35.291 -7.163 3.879 1.00 0.00 H new ATOM 769 N LYS A 49 40.737 -9.464 -1.000 1.00 0.00 N ATOM 770 CA LYS A 49 41.744 -10.186 -0.179 1.00 0.00 C ATOM 771 C LYS A 49 42.937 -9.355 0.352 1.00 0.00 C ATOM 772 O LYS A 49 42.931 -8.124 0.303 1.00 0.00 O ATOM 773 CB LYS A 49 42.114 -11.527 -0.851 1.00 0.00 C ATOM 774 CG LYS A 49 42.740 -11.442 -2.258 1.00 0.00 C ATOM 775 CD LYS A 49 41.762 -11.816 -3.385 1.00 0.00 C ATOM 776 CE LYS A 49 41.456 -13.324 -3.371 1.00 0.00 C ATOM 777 NZ LYS A 49 40.533 -13.713 -4.468 1.00 0.00 N ATOM 0 H LYS A 49 39.791 -9.771 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 49 41.255 -10.413 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.810 -12.055 -0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.213 -12.137 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.105 -10.428 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.605 -12.103 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 49 40.836 -11.252 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.188 -11.537 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 49 42.387 -13.884 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.015 -13.596 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 40.498 -14.750 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 39.580 -13.348 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 40.873 -13.314 -5.366 1.00 0.00 H new ATOM 791 N THR A 50 43.983 -9.992 0.894 1.00 0.00 N ATOM 792 CA THR A 50 45.182 -9.291 1.416 1.00 0.00 C ATOM 793 C THR A 50 45.943 -8.523 0.337 1.00 0.00 C ATOM 794 O THR A 50 46.523 -7.473 0.615 1.00 0.00 O ATOM 795 CB THR A 50 46.199 -10.246 2.058 1.00 0.00 C ATOM 796 OG1 THR A 50 46.471 -11.332 1.204 1.00 0.00 O ATOM 797 CG2 THR A 50 45.705 -10.795 3.385 1.00 0.00 C ATOM 0 H THR A 50 44.030 -11.007 0.987 1.00 0.00 H new ATOM 0 HA THR A 50 44.773 -8.605 2.158 1.00 0.00 H new ATOM 0 HB THR A 50 47.104 -9.664 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.122 -11.928 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 50 46.456 -11.466 3.803 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.529 -9.971 4.077 1.00 0.00 H new ATOM 0 HG23 THR A 50 44.776 -11.343 3.229 1.00 0.00 H new ATOM 805 N ASN A 51 45.942 -9.036 -0.896 1.00 0.00 N ATOM 806 CA ASN A 51 46.630 -8.435 -2.038 1.00 0.00 C ATOM 807 C ASN A 51 46.011 -7.093 -2.499 1.00 0.00 C ATOM 808 O ASN A 51 46.671 -6.331 -3.208 1.00 0.00 O ATOM 809 CB ASN A 51 46.680 -9.487 -3.161 1.00 0.00 C ATOM 810 CG ASN A 51 47.782 -9.196 -4.166 1.00 0.00 C ATOM 811 OD1 ASN A 51 47.552 -8.703 -5.263 1.00 0.00 O ATOM 812 ND2 ASN A 51 49.012 -9.510 -3.827 1.00 0.00 N ATOM 0 H ASN A 51 45.452 -9.899 -1.132 1.00 0.00 H new ATOM 0 HA ASN A 51 47.642 -8.160 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 51 46.837 -10.474 -2.726 1.00 0.00 H new ATOM 0 HB3 ASN A 51 45.719 -9.515 -3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 51 49.779 -9.343 -4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 51 49.200 -9.920 -2.912 1.00 0.00 H new ATOM 819 N GLY A 52 44.769 -6.789 -2.090 1.00 0.00 N ATOM 820 CA GLY A 52 44.041 -5.558 -2.432 1.00 0.00 C ATOM 821 C GLY A 52 43.656 -4.685 -1.227 1.00 0.00 C ATOM 822 O GLY A 52 43.758 -3.460 -1.327 1.00 0.00 O ATOM 0 H GLY A 52 44.227 -7.414 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 52 44.654 -4.966 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 52 43.134 -5.827 -2.974 1.00 0.00 H new ATOM 826 N GLY A 53 43.259 -5.274 -0.087 1.00 0.00 N ATOM 827 CA GLY A 53 42.938 -4.518 1.140 1.00 0.00 C ATOM 828 C GLY A 53 41.837 -5.069 2.065 1.00 0.00 C ATOM 829 O GLY A 53 41.437 -4.355 2.988 1.00 0.00 O ATOM 0 H GLY A 53 43.151 -6.283 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.853 -4.430 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.651 -3.509 0.844 1.00 0.00 H new ATOM 833 N CYS A 54 41.328 -6.287 1.849 1.00 0.00 N ATOM 834 CA CYS A 54 40.273 -6.893 2.669 1.00 0.00 C ATOM 835 C CYS A 54 40.675 -7.056 4.154 1.00 0.00 C ATOM 836 O CYS A 54 41.705 -7.687 4.435 1.00 0.00 O ATOM 837 CB CYS A 54 39.954 -8.262 2.069 1.00 0.00 C ATOM 838 SG CYS A 54 38.527 -9.027 2.888 1.00 0.00 S ATOM 0 H CYS A 54 41.642 -6.889 1.088 1.00 0.00 H new ATOM 0 HA CYS A 54 39.407 -6.232 2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 54 39.750 -8.155 1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.822 -8.914 2.164 1.00 0.00 H new ATOM 0 HG CYS A 54 38.581 -10.317 2.738 1.00 0.00 H new ATOM 843 N PRO A 55 39.897 -6.528 5.124 1.00 0.00 N ATOM 844 CA PRO A 55 40.195 -6.701 6.538 1.00 0.00 C ATOM 845 C PRO A 55 39.834 -8.111 7.034 1.00 0.00 C ATOM 846 O PRO A 55 40.449 -8.572 7.994 1.00 0.00 O ATOM 847 CB PRO A 55 39.357 -5.639 7.254 1.00 0.00 C ATOM 848 CG PRO A 55 38.109 -5.549 6.377 1.00 0.00 C ATOM 849 CD PRO A 55 38.676 -5.749 4.967 1.00 0.00 C ATOM 0 HA PRO A 55 41.261 -6.588 6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 55 39.114 -5.935 8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.879 -4.684 7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.378 -6.316 6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.610 -4.586 6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.961 -6.271 4.331 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.885 -4.790 4.492 1.00 0.00 H new ATOM 857 N VAL A 56 38.874 -8.807 6.400 1.00 0.00 N ATOM 858 CA VAL A 56 38.471 -10.162 6.807 1.00 0.00 C ATOM 859 C VAL A 56 39.554 -11.163 6.437 1.00 0.00 C ATOM 860 O VAL A 56 40.090 -11.793 7.349 1.00 0.00 O ATOM 861 CB VAL A 56 37.120 -10.622 6.228 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.738 -11.990 6.820 1.00 0.00 C ATOM 863 CG2 VAL A 56 35.968 -9.663 6.547 1.00 0.00 C ATOM 0 H VAL A 56 38.359 -8.448 5.596 1.00 0.00 H new ATOM 0 HA VAL A 56 38.339 -10.119 7.888 1.00 0.00 H new ATOM 0 HB VAL A 56 37.257 -10.662 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.782 -12.311 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.505 -12.722 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.656 -11.907 7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 56 35.045 -10.045 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.852 -9.581 7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.187 -8.680 6.130 1.00 0.00 H new ATOM 873 N CYS A 57 39.905 -11.292 5.153 1.00 0.00 N ATOM 874 CA CYS A 57 40.932 -12.215 4.682 1.00 0.00 C ATOM 875 C CYS A 57 42.221 -12.099 5.505 1.00 0.00 C ATOM 876 O CYS A 57 42.692 -13.082 6.080 1.00 0.00 O ATOM 877 CB CYS A 57 41.169 -11.968 3.189 1.00 0.00 C ATOM 878 SG CYS A 57 39.704 -12.464 2.231 1.00 0.00 S ATOM 0 H CYS A 57 39.475 -10.749 4.405 1.00 0.00 H new ATOM 0 HA CYS A 57 40.589 -13.241 4.818 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.385 -10.914 3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 57 42.040 -12.531 2.853 1.00 0.00 H new ATOM 0 HG CYS A 57 39.400 -11.524 1.386 1.00 0.00 H new ATOM 883 N LYS A 58 42.756 -10.878 5.628 1.00 0.00 N ATOM 884 CA LYS A 58 43.937 -10.540 6.410 1.00 0.00 C ATOM 885 C LYS A 58 43.870 -11.028 7.865 1.00 0.00 C ATOM 886 O LYS A 58 44.895 -11.437 8.416 1.00 0.00 O ATOM 887 CB LYS A 58 44.087 -9.016 6.274 1.00 0.00 C ATOM 888 CG LYS A 58 45.497 -8.539 6.592 1.00 0.00 C ATOM 889 CD LYS A 58 45.756 -7.148 5.984 1.00 0.00 C ATOM 890 CE LYS A 58 47.095 -6.535 6.415 1.00 0.00 C ATOM 891 NZ LYS A 58 47.014 -5.886 7.754 1.00 0.00 N ATOM 0 H LYS A 58 42.354 -10.066 5.161 1.00 0.00 H new ATOM 0 HA LYS A 58 44.821 -11.055 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.826 -8.718 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.381 -8.523 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.637 -8.500 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.223 -9.252 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.733 -7.225 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 58 44.947 -6.477 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 58 47.858 -7.313 6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.410 -5.799 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 47.941 -5.486 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 46.305 -5.126 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.739 -6.592 8.466 1.00 0.00 H new ATOM 905 N GLN A 59 42.678 -11.056 8.466 1.00 0.00 N ATOM 906 CA GLN A 59 42.458 -11.572 9.818 1.00 0.00 C ATOM 907 C GLN A 59 42.717 -13.087 9.895 1.00 0.00 C ATOM 908 O GLN A 59 43.399 -13.529 10.821 1.00 0.00 O ATOM 909 CB GLN A 59 41.034 -11.220 10.300 1.00 0.00 C ATOM 910 CG GLN A 59 41.007 -10.830 11.789 1.00 0.00 C ATOM 911 CD GLN A 59 41.592 -9.439 12.078 1.00 0.00 C ATOM 912 OE1 GLN A 59 42.274 -8.818 11.275 1.00 0.00 O ATOM 913 NE2 GLN A 59 41.347 -8.877 13.241 1.00 0.00 N ATOM 0 H GLN A 59 41.826 -10.716 8.020 1.00 0.00 H new ATOM 0 HA GLN A 59 43.175 -11.092 10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.643 -10.396 9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.375 -12.073 10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 59 39.977 -10.861 12.144 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.564 -11.573 12.360 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.782 -9.366 13.935 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.722 -7.952 13.449 1.00 0.00 H new ATOM 922 N LEU A 60 42.237 -13.876 8.918 1.00 0.00 N ATOM 923 CA LEU A 60 42.504 -15.322 8.860 1.00 0.00 C ATOM 924 C LEU A 60 43.994 -15.579 8.659 1.00 0.00 C ATOM 925 O LEU A 60 44.557 -16.405 9.367 1.00 0.00 O ATOM 926 CB LEU A 60 41.817 -16.064 7.694 1.00 0.00 C ATOM 927 CG LEU A 60 40.291 -16.169 7.683 1.00 0.00 C ATOM 928 CD1 LEU A 60 39.673 -14.819 7.349 1.00 0.00 C ATOM 929 CD2 LEU A 60 39.887 -17.186 6.612 1.00 0.00 C ATOM 0 H LEU A 60 41.658 -13.532 8.152 1.00 0.00 H new ATOM 0 HA LEU A 60 42.113 -15.694 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 60 42.121 -15.576 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.218 -17.077 7.666 1.00 0.00 H new ATOM 0 HG LEU A 60 39.938 -16.483 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.587 -14.907 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.974 -14.086 8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 60 40.015 -14.496 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.801 -17.276 6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 60 40.246 -16.851 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.326 -18.155 6.847 1.00 0.00 H new ATOM 941 N ILE A 61 44.624 -14.905 7.687 1.00 0.00 N ATOM 942 CA ILE A 61 46.044 -15.138 7.370 1.00 0.00 C ATOM 943 C ILE A 61 46.934 -14.938 8.594 1.00 0.00 C ATOM 944 O ILE A 61 47.810 -15.766 8.812 1.00 0.00 O ATOM 945 CB ILE A 61 46.561 -14.294 6.186 1.00 0.00 C ATOM 946 CG1 ILE A 61 45.650 -14.312 4.948 1.00 0.00 C ATOM 947 CG2 ILE A 61 47.941 -14.788 5.706 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.570 -15.679 4.279 1.00 0.00 C ATOM 0 H ILE A 61 44.176 -14.196 7.107 1.00 0.00 H new ATOM 0 HA ILE A 61 46.101 -16.181 7.058 1.00 0.00 H new ATOM 0 HB ILE A 61 46.599 -13.282 6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 61 44.647 -13.998 5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 61 46.016 -13.582 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 61 48.277 -14.173 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 61 48.658 -14.714 6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.864 -15.826 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 61 44.911 -15.622 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 46.566 -15.986 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 61 45.176 -16.408 4.987 1.00 0.00 H new ATOM 960 N ALA A 62 46.716 -13.902 9.414 1.00 0.00 N ATOM 961 CA ALA A 62 47.505 -13.700 10.635 1.00 0.00 C ATOM 962 C ALA A 62 47.366 -14.923 11.557 1.00 0.00 C ATOM 963 O ALA A 62 48.353 -15.548 11.953 1.00 0.00 O ATOM 964 CB ALA A 62 47.037 -12.409 11.330 1.00 0.00 C ATOM 0 H ALA A 62 46.001 -13.192 9.254 1.00 0.00 H new ATOM 0 HA ALA A 62 48.561 -13.593 10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.619 -12.253 12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 62 47.179 -11.562 10.658 1.00 0.00 H new ATOM 0 HB3 ALA A 62 45.981 -12.496 11.587 1.00 0.00 H new ATOM 970 N LEU A 63 46.116 -15.286 11.847 1.00 0.00 N ATOM 971 CA LEU A 63 45.725 -16.421 12.684 1.00 0.00 C ATOM 972 C LEU A 63 46.343 -17.743 12.177 1.00 0.00 C ATOM 973 O LEU A 63 46.881 -18.532 12.955 1.00 0.00 O ATOM 974 CB LEU A 63 44.180 -16.419 12.715 1.00 0.00 C ATOM 975 CG LEU A 63 43.562 -16.760 14.077 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.136 -16.209 14.145 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.514 -18.264 14.299 1.00 0.00 C ATOM 0 H LEU A 63 45.311 -14.773 11.488 1.00 0.00 H new ATOM 0 HA LEU A 63 46.109 -16.330 13.700 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.826 -15.435 12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.815 -17.134 11.977 1.00 0.00 H new ATOM 0 HG LEU A 63 44.184 -16.309 14.851 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.698 -16.452 15.113 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.158 -15.127 14.018 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.535 -16.655 13.353 1.00 0.00 H new ATOM 0 HD21 LEU A 63 43.071 -18.474 15.273 1.00 0.00 H new ATOM 0 HD22 LEU A 63 42.911 -18.728 13.518 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.525 -18.669 14.265 1.00 0.00 H new ATOM 989 N CYS A 64 46.322 -17.953 10.858 1.00 0.00 N ATOM 990 CA CYS A 64 46.910 -19.107 10.183 1.00 0.00 C ATOM 991 C CYS A 64 48.447 -19.060 10.186 1.00 0.00 C ATOM 992 O CYS A 64 49.060 -20.105 10.363 1.00 0.00 O ATOM 993 CB CYS A 64 46.366 -19.211 8.753 1.00 0.00 C ATOM 994 SG CYS A 64 44.574 -19.509 8.772 1.00 0.00 S ATOM 0 H CYS A 64 45.879 -17.300 10.211 1.00 0.00 H new ATOM 0 HA CYS A 64 46.623 -20.000 10.738 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.582 -18.292 8.208 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.869 -20.021 8.224 1.00 0.00 H new ATOM 0 HG CYS A 64 43.951 -18.394 9.014 1.00 0.00 H new ATOM 1000 N CYS A 65 49.093 -17.895 10.044 1.00 0.00 N ATOM 1001 CA CYS A 65 50.557 -17.752 10.119 1.00 0.00 C ATOM 1002 C CYS A 65 51.073 -18.137 11.510 1.00 0.00 C ATOM 1003 O CYS A 65 52.066 -18.857 11.622 1.00 0.00 O ATOM 1004 CB CYS A 65 50.984 -16.312 9.793 1.00 0.00 C ATOM 1005 SG CYS A 65 50.829 -15.948 8.026 1.00 0.00 S ATOM 0 H CYS A 65 48.610 -17.013 9.872 1.00 0.00 H new ATOM 0 HA CYS A 65 50.992 -18.426 9.381 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.371 -15.613 10.363 1.00 0.00 H new ATOM 0 HB3 CYS A 65 52.017 -16.159 10.106 1.00 0.00 H new ATOM 0 HG CYS A 65 51.198 -14.722 7.801 1.00 0.00 H new ATOM 1011 N TYR A 66 50.379 -17.697 12.566 1.00 0.00 N ATOM 1012 CA TYR A 66 50.699 -18.018 13.963 1.00 0.00 C ATOM 1013 C TYR A 66 50.749 -19.538 14.197 1.00 0.00 C ATOM 1014 O TYR A 66 51.625 -20.043 14.902 1.00 0.00 O ATOM 1015 CB TYR A 66 49.644 -17.360 14.860 1.00 0.00 C ATOM 1016 CG TYR A 66 50.090 -17.046 16.274 1.00 0.00 C ATOM 1017 CD1 TYR A 66 50.749 -15.830 16.528 1.00 0.00 C ATOM 1018 CD2 TYR A 66 49.767 -17.905 17.342 1.00 0.00 C ATOM 1019 CE1 TYR A 66 50.991 -15.420 17.852 1.00 0.00 C ATOM 1020 CE2 TYR A 66 50.038 -17.515 18.668 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.635 -16.264 18.926 1.00 0.00 C ATOM 1022 OH TYR A 66 50.874 -15.878 20.206 1.00 0.00 O ATOM 0 H TYR A 66 49.561 -17.095 12.472 1.00 0.00 H new ATOM 0 HA TYR A 66 51.689 -17.632 14.206 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.318 -16.434 14.387 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.775 -18.016 14.910 1.00 0.00 H new ATOM 0 HD1 TYR A 66 51.070 -15.209 15.705 1.00 0.00 H new ATOM 0 HD2 TYR A 66 49.311 -18.864 17.144 1.00 0.00 H new ATOM 0 HE1 TYR A 66 51.448 -14.461 18.046 1.00 0.00 H new ATOM 0 HE2 TYR A 66 49.789 -18.174 19.487 1.00 0.00 H new ATOM 0 HH TYR A 66 50.567 -16.576 20.821 1.00 0.00 H new ATOM 1032 N HIS A 67 49.830 -20.271 13.556 1.00 0.00 N ATOM 1033 CA HIS A 67 49.758 -21.729 13.589 1.00 0.00 C ATOM 1034 C HIS A 67 50.799 -22.374 12.643 1.00 0.00 C ATOM 1035 O HIS A 67 51.638 -23.155 13.097 1.00 0.00 O ATOM 1036 CB HIS A 67 48.318 -22.145 13.240 1.00 0.00 C ATOM 1037 CG HIS A 67 48.167 -23.634 13.087 1.00 0.00 C ATOM 1038 ND1 HIS A 67 48.061 -24.563 14.100 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.317 -24.326 11.915 1.00 0.00 C ATOM 1040 CE1 HIS A 67 48.184 -25.785 13.552 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.344 -25.689 12.222 1.00 0.00 N ATOM 0 H HIS A 67 49.097 -19.850 12.985 1.00 0.00 H new ATOM 0 HA HIS A 67 50.006 -22.090 14.587 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.643 -21.793 14.020 1.00 0.00 H new ATOM 0 HB3 HIS A 67 48.017 -21.656 12.314 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.400 -23.895 10.928 1.00 0.00 H new ATOM 0 HE1 HIS A 67 48.158 -26.713 14.104 1.00 0.00 H new ATOM 0 HE2 HIS A 67 48.462 -26.460 11.565 1.00 0.00 H new ATOM 1049 N ALA A 68 50.784 -22.034 11.345 1.00 0.00 N ATOM 1050 CA ALA A 68 51.673 -22.574 10.312 1.00 0.00 C ATOM 1051 C ALA A 68 53.175 -22.437 10.627 1.00 0.00 C ATOM 1052 O ALA A 68 53.957 -23.312 10.246 1.00 0.00 O ATOM 1053 CB ALA A 68 51.302 -21.934 8.970 1.00 0.00 C ATOM 0 H ALA A 68 50.126 -21.349 10.975 1.00 0.00 H new ATOM 0 HA ALA A 68 51.517 -23.652 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 68 51.954 -22.324 8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.265 -22.169 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.423 -20.853 9.037 1.00 0.00 H new ATOM 1059 N LYS A 69 53.588 -21.381 11.348 1.00 0.00 N ATOM 1060 CA LYS A 69 54.981 -21.176 11.793 1.00 0.00 C ATOM 1061 C LYS A 69 55.508 -22.358 12.616 1.00 0.00 C ATOM 1062 O LYS A 69 56.653 -22.768 12.419 1.00 0.00 O ATOM 1063 CB LYS A 69 55.088 -19.877 12.621 1.00 0.00 C ATOM 1064 CG LYS A 69 55.510 -18.654 11.798 1.00 0.00 C ATOM 1065 CD LYS A 69 55.560 -17.384 12.674 1.00 0.00 C ATOM 1066 CE LYS A 69 56.525 -16.327 12.114 1.00 0.00 C ATOM 1067 NZ LYS A 69 57.955 -16.666 12.351 1.00 0.00 N ATOM 0 H LYS A 69 52.958 -20.635 11.643 1.00 0.00 H new ATOM 0 HA LYS A 69 55.597 -21.097 10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 69 54.124 -19.674 13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 69 55.807 -20.028 13.426 1.00 0.00 H new ATOM 0 HG2 LYS A 69 56.489 -18.831 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.809 -18.505 10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 69 54.560 -16.957 12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 69 55.867 -17.654 13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 69 56.355 -16.218 11.043 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.305 -15.362 12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 58.559 -15.919 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 58.129 -16.743 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 58.177 -17.573 11.892 1.00 0.00 H new ATOM 1081 N HIS A 70 54.676 -22.891 13.513 1.00 0.00 N ATOM 1082 CA HIS A 70 54.983 -24.039 14.373 1.00 0.00 C ATOM 1083 C HIS A 70 54.601 -25.392 13.737 1.00 0.00 C ATOM 1084 O HIS A 70 55.299 -26.390 13.948 1.00 0.00 O ATOM 1085 CB HIS A 70 54.249 -23.841 15.709 1.00 0.00 C ATOM 1086 CG HIS A 70 54.543 -24.917 16.724 1.00 0.00 C ATOM 1087 ND1 HIS A 70 53.728 -25.979 17.051 1.00 0.00 N ATOM 1088 CD2 HIS A 70 55.677 -25.034 17.483 1.00 0.00 C ATOM 1089 CE1 HIS A 70 54.354 -26.718 17.983 1.00 0.00 C ATOM 1090 NE2 HIS A 70 55.551 -26.180 18.282 1.00 0.00 N ATOM 0 H HIS A 70 53.737 -22.523 13.667 1.00 0.00 H new ATOM 0 HA HIS A 70 56.062 -24.079 14.522 1.00 0.00 H new ATOM 0 HB2 HIS A 70 54.527 -22.873 16.127 1.00 0.00 H new ATOM 0 HB3 HIS A 70 53.175 -23.812 15.523 1.00 0.00 H new ATOM 0 HD2 HIS A 70 56.521 -24.361 17.469 1.00 0.00 H new ATOM 0 HE1 HIS A 70 53.953 -27.616 18.429 1.00 0.00 H new ATOM 0 HE2 HIS A 70 56.231 -26.535 18.955 1.00 0.00 H new ATOM 1098 N CYS A 71 53.502 -25.432 12.969 1.00 0.00 N ATOM 1099 CA CYS A 71 52.995 -26.648 12.326 1.00 0.00 C ATOM 1100 C CYS A 71 54.016 -27.244 11.344 1.00 0.00 C ATOM 1101 O CYS A 71 54.766 -26.522 10.677 1.00 0.00 O ATOM 1102 CB CYS A 71 51.664 -26.347 11.624 1.00 0.00 C ATOM 1103 SG CYS A 71 50.762 -27.884 11.225 1.00 0.00 S ATOM 0 H CYS A 71 52.934 -24.607 12.776 1.00 0.00 H new ATOM 0 HA CYS A 71 52.827 -27.398 13.099 1.00 0.00 H new ATOM 0 HB2 CYS A 71 51.047 -25.717 12.264 1.00 0.00 H new ATOM 0 HB3 CYS A 71 51.852 -25.785 10.709 1.00 0.00 H new ATOM 0 HG CYS A 71 49.759 -28.022 12.040 1.00 0.00 H new ATOM 1108 N GLN A 72 54.022 -28.572 11.235 1.00 0.00 N ATOM 1109 CA GLN A 72 54.922 -29.353 10.376 1.00 0.00 C ATOM 1110 C GLN A 72 54.196 -30.466 9.587 1.00 0.00 C ATOM 1111 O GLN A 72 54.829 -31.202 8.828 1.00 0.00 O ATOM 1112 CB GLN A 72 56.050 -29.928 11.259 1.00 0.00 C ATOM 1113 CG GLN A 72 57.042 -28.863 11.769 1.00 0.00 C ATOM 1114 CD GLN A 72 57.658 -29.244 13.113 1.00 0.00 C ATOM 1115 OE1 GLN A 72 58.482 -30.144 13.225 1.00 0.00 O ATOM 1116 NE2 GLN A 72 57.280 -28.578 14.186 1.00 0.00 N ATOM 0 H GLN A 72 53.376 -29.160 11.762 1.00 0.00 H new ATOM 0 HA GLN A 72 55.336 -28.692 9.615 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.606 -30.437 12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.598 -30.679 10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 72 57.835 -28.726 11.034 1.00 0.00 H new ATOM 0 HG3 GLN A 72 56.528 -27.907 11.865 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.595 -27.827 14.105 1.00 0.00 H new ATOM 0 HE22 GLN A 72 57.673 -28.814 15.097 1.00 0.00 H new ATOM 1125 N GLU A 73 52.872 -30.596 9.731 1.00 0.00 N ATOM 1126 CA GLU A 73 52.050 -31.583 9.016 1.00 0.00 C ATOM 1127 C GLU A 73 51.778 -31.143 7.563 1.00 0.00 C ATOM 1128 O GLU A 73 51.810 -29.951 7.245 1.00 0.00 O ATOM 1129 CB GLU A 73 50.743 -31.779 9.811 1.00 0.00 C ATOM 1130 CG GLU A 73 49.819 -32.920 9.367 1.00 0.00 C ATOM 1131 CD GLU A 73 50.546 -34.269 9.268 1.00 0.00 C ATOM 1132 OE1 GLU A 73 51.177 -34.514 8.212 1.00 0.00 O ATOM 1133 OE2 GLU A 73 50.466 -35.100 10.201 1.00 0.00 O ATOM 0 H GLU A 73 52.329 -30.006 10.361 1.00 0.00 H new ATOM 0 HA GLU A 73 52.582 -32.532 8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.004 -31.943 10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.177 -30.849 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 73 48.993 -33.008 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.385 -32.674 8.398 1.00 0.00 H new ATOM 1140 N ASN A 74 51.481 -32.098 6.678 1.00 0.00 N ATOM 1141 CA ASN A 74 51.214 -31.864 5.247 1.00 0.00 C ATOM 1142 C ASN A 74 49.741 -32.101 4.844 1.00 0.00 C ATOM 1143 O ASN A 74 49.353 -31.856 3.701 1.00 0.00 O ATOM 1144 CB ASN A 74 52.189 -32.721 4.418 1.00 0.00 C ATOM 1145 CG ASN A 74 53.630 -32.259 4.573 1.00 0.00 C ATOM 1146 OD1 ASN A 74 54.030 -31.216 4.074 1.00 0.00 O ATOM 1147 ND2 ASN A 74 54.460 -33.016 5.258 1.00 0.00 N ATOM 0 H ASN A 74 51.417 -33.082 6.938 1.00 0.00 H new ATOM 0 HA ASN A 74 51.383 -30.808 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.108 -33.763 4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 74 51.906 -32.677 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 74 55.433 -32.733 5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 74 54.130 -33.886 5.676 1.00 0.00 H new ATOM 1154 N LYS A 75 48.928 -32.586 5.793 1.00 0.00 N ATOM 1155 CA LYS A 75 47.505 -32.946 5.669 1.00 0.00 C ATOM 1156 C LYS A 75 46.590 -32.204 6.667 1.00 0.00 C ATOM 1157 O LYS A 75 45.466 -32.640 6.925 1.00 0.00 O ATOM 1158 CB LYS A 75 47.380 -34.479 5.818 1.00 0.00 C ATOM 1159 CG LYS A 75 48.331 -35.271 4.897 1.00 0.00 C ATOM 1160 CD LYS A 75 49.606 -35.820 5.554 1.00 0.00 C ATOM 1161 CE LYS A 75 49.341 -36.838 6.672 1.00 0.00 C ATOM 1162 NZ LYS A 75 50.587 -37.132 7.423 1.00 0.00 N ATOM 0 H LYS A 75 49.272 -32.750 6.739 1.00 0.00 H new ATOM 0 HA LYS A 75 47.157 -32.629 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.581 -34.752 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.353 -34.773 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 75 47.778 -36.107 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 75 48.623 -34.626 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 75 50.225 -36.289 4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 75 50.180 -34.988 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 75 48.584 -36.449 7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 75 48.943 -37.758 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 50.375 -37.783 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 51.281 -37.571 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 50.979 -36.248 7.805 1.00 0.00 H new ATOM 1176 N CYS A 76 47.083 -31.100 7.238 1.00 0.00 N ATOM 1177 CA CYS A 76 46.398 -30.241 8.211 1.00 0.00 C ATOM 1178 C CYS A 76 45.007 -29.783 7.671 1.00 0.00 C ATOM 1179 O CYS A 76 44.898 -29.470 6.478 1.00 0.00 O ATOM 1180 CB CYS A 76 47.372 -29.076 8.498 1.00 0.00 C ATOM 1181 SG CYS A 76 47.211 -28.393 10.177 1.00 0.00 S ATOM 0 H CYS A 76 48.021 -30.763 7.022 1.00 0.00 H new ATOM 0 HA CYS A 76 46.166 -30.762 9.140 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.395 -29.424 8.352 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.199 -28.281 7.773 1.00 0.00 H new ATOM 0 HG CYS A 76 48.393 -28.227 10.693 1.00 0.00 H new ATOM 1186 N PRO A 77 43.922 -29.759 8.478 1.00 0.00 N ATOM 1187 CA PRO A 77 42.580 -29.413 7.993 1.00 0.00 C ATOM 1188 C PRO A 77 42.406 -27.951 7.547 1.00 0.00 C ATOM 1189 O PRO A 77 41.555 -27.677 6.697 1.00 0.00 O ATOM 1190 CB PRO A 77 41.628 -29.761 9.141 1.00 0.00 C ATOM 1191 CG PRO A 77 42.505 -29.642 10.383 1.00 0.00 C ATOM 1192 CD PRO A 77 43.866 -30.123 9.885 1.00 0.00 C ATOM 0 HA PRO A 77 42.373 -29.975 7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.781 -29.076 9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.220 -30.766 9.033 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.548 -28.617 10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.133 -30.259 11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.676 -29.653 10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 77 43.972 -31.200 10.015 1.00 0.00 H new ATOM 1200 N VAL A 78 43.188 -27.009 8.087 1.00 0.00 N ATOM 1201 CA VAL A 78 43.128 -25.584 7.717 1.00 0.00 C ATOM 1202 C VAL A 78 43.664 -25.408 6.285 1.00 0.00 C ATOM 1203 O VAL A 78 44.792 -25.834 6.016 1.00 0.00 O ATOM 1204 CB VAL A 78 43.933 -24.730 8.715 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.843 -23.235 8.387 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.407 -24.907 10.148 1.00 0.00 C ATOM 0 H VAL A 78 43.888 -27.213 8.800 1.00 0.00 H new ATOM 0 HA VAL A 78 42.093 -25.245 7.753 1.00 0.00 H new ATOM 0 HB VAL A 78 44.965 -25.071 8.636 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.424 -22.667 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.239 -23.057 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.801 -22.916 8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 78 43.995 -24.292 10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.362 -24.601 10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.491 -25.954 10.440 1.00 0.00 H new ATOM 1216 N PRO A 79 42.914 -24.792 5.346 1.00 0.00 N ATOM 1217 CA PRO A 79 43.363 -24.659 3.957 1.00 0.00 C ATOM 1218 C PRO A 79 44.604 -23.767 3.803 1.00 0.00 C ATOM 1219 O PRO A 79 45.475 -24.046 2.976 1.00 0.00 O ATOM 1220 CB PRO A 79 42.157 -24.111 3.185 1.00 0.00 C ATOM 1221 CG PRO A 79 41.328 -23.390 4.248 1.00 0.00 C ATOM 1222 CD PRO A 79 41.583 -24.216 5.510 1.00 0.00 C ATOM 0 HA PRO A 79 43.687 -25.623 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.467 -23.430 2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.589 -24.912 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.646 -22.355 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.270 -23.369 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.534 -23.592 6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.831 -24.996 5.625 1.00 0.00 H new ATOM 1230 N PHE A 80 44.704 -22.701 4.604 1.00 0.00 N ATOM 1231 CA PHE A 80 45.834 -21.771 4.554 1.00 0.00 C ATOM 1232 C PHE A 80 47.098 -22.244 5.265 1.00 0.00 C ATOM 1233 O PHE A 80 48.174 -21.808 4.862 1.00 0.00 O ATOM 1234 CB PHE A 80 45.414 -20.403 5.093 1.00 0.00 C ATOM 1235 CG PHE A 80 44.922 -19.526 3.970 1.00 0.00 C ATOM 1236 CD1 PHE A 80 45.846 -18.804 3.188 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.557 -19.526 3.640 1.00 0.00 C ATOM 1238 CE1 PHE A 80 45.390 -18.067 2.082 1.00 0.00 C ATOM 1239 CE2 PHE A 80 43.105 -18.800 2.528 1.00 0.00 C ATOM 1240 CZ PHE A 80 44.022 -18.070 1.748 1.00 0.00 C ATOM 0 H PHE A 80 44.003 -22.460 5.305 1.00 0.00 H new ATOM 0 HA PHE A 80 46.103 -21.708 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.629 -20.524 5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.258 -19.927 5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 80 46.897 -18.817 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 80 42.856 -20.085 4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 80 46.089 -17.498 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 80 42.056 -18.801 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.675 -17.511 0.891 1.00 0.00 H new ATOM 1250 N CYS A 81 47.002 -23.118 6.273 1.00 0.00 N ATOM 1251 CA CYS A 81 48.171 -23.620 7.000 1.00 0.00 C ATOM 1252 C CYS A 81 49.238 -24.136 6.023 1.00 0.00 C ATOM 1253 O CYS A 81 50.355 -23.617 6.007 1.00 0.00 O ATOM 1254 CB CYS A 81 47.726 -24.680 8.019 1.00 0.00 C ATOM 1255 SG CYS A 81 49.135 -25.535 8.795 1.00 0.00 S ATOM 0 H CYS A 81 46.115 -23.495 6.606 1.00 0.00 H new ATOM 0 HA CYS A 81 48.638 -22.808 7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 81 47.122 -24.205 8.792 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.089 -25.412 7.522 1.00 0.00 H new ATOM 0 HG CYS A 81 48.711 -26.597 9.414 1.00 0.00 H new ATOM 1260 N LEU A 82 48.875 -25.081 5.145 1.00 0.00 N ATOM 1261 CA LEU A 82 49.788 -25.628 4.135 1.00 0.00 C ATOM 1262 C LEU A 82 50.308 -24.547 3.173 1.00 0.00 C ATOM 1263 O LEU A 82 51.516 -24.454 2.951 1.00 0.00 O ATOM 1264 CB LEU A 82 49.132 -26.777 3.339 1.00 0.00 C ATOM 1265 CG LEU A 82 48.713 -28.050 4.105 1.00 0.00 C ATOM 1266 CD1 LEU A 82 49.695 -28.459 5.203 1.00 0.00 C ATOM 1267 CD2 LEU A 82 47.323 -27.942 4.724 1.00 0.00 C ATOM 0 H LEU A 82 47.940 -25.487 5.116 1.00 0.00 H new ATOM 0 HA LEU A 82 50.643 -26.028 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 82 48.245 -26.377 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 82 49.825 -27.075 2.552 1.00 0.00 H new ATOM 0 HG LEU A 82 48.710 -28.821 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 82 49.334 -29.361 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 82 50.673 -28.653 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 82 49.779 -27.655 5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 82 47.085 -28.867 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 82 47.302 -27.110 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 82 46.587 -27.771 3.938 1.00 0.00 H new ATOM 1279 N ASN A 83 49.415 -23.717 2.620 1.00 0.00 N ATOM 1280 CA ASN A 83 49.771 -22.645 1.682 1.00 0.00 C ATOM 1281 C ASN A 83 50.835 -21.695 2.257 1.00 0.00 C ATOM 1282 O ASN A 83 51.813 -21.368 1.581 1.00 0.00 O ATOM 1283 CB ASN A 83 48.513 -21.866 1.275 1.00 0.00 C ATOM 1284 CG ASN A 83 47.580 -22.639 0.358 1.00 0.00 C ATOM 1285 OD1 ASN A 83 47.777 -23.795 0.008 1.00 0.00 O ATOM 1286 ND2 ASN A 83 46.528 -21.997 -0.082 1.00 0.00 N ATOM 0 H ASN A 83 48.415 -23.771 2.813 1.00 0.00 H new ATOM 0 HA ASN A 83 50.208 -23.112 0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 83 47.968 -21.580 2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 83 48.814 -20.944 0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 83 45.875 -22.460 -0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 83 46.361 -21.033 0.208 1.00 0.00 H new ATOM 1293 N ILE A 84 50.655 -21.273 3.512 1.00 0.00 N ATOM 1294 CA ILE A 84 51.579 -20.389 4.221 1.00 0.00 C ATOM 1295 C ILE A 84 52.865 -21.145 4.572 1.00 0.00 C ATOM 1296 O ILE A 84 53.949 -20.709 4.189 1.00 0.00 O ATOM 1297 CB ILE A 84 50.869 -19.808 5.465 1.00 0.00 C ATOM 1298 CG1 ILE A 84 49.635 -18.970 5.068 1.00 0.00 C ATOM 1299 CG2 ILE A 84 51.774 -18.915 6.328 1.00 0.00 C ATOM 1300 CD1 ILE A 84 48.714 -18.725 6.259 1.00 0.00 C ATOM 0 H ILE A 84 49.847 -21.543 4.073 1.00 0.00 H new ATOM 0 HA ILE A 84 51.871 -19.553 3.585 1.00 0.00 H new ATOM 0 HB ILE A 84 50.579 -20.681 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 84 49.961 -18.014 4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 84 49.083 -19.484 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 84 51.209 -18.543 7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 84 52.627 -19.495 6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 84 52.129 -18.073 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 84 47.857 -18.132 5.940 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.368 -19.680 6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 84 49.258 -18.188 7.035 1.00 0.00 H new ATOM 1312 N LYS A 85 52.755 -22.297 5.246 1.00 0.00 N ATOM 1313 CA LYS A 85 53.853 -23.179 5.683 1.00 0.00 C ATOM 1314 C LYS A 85 54.876 -23.427 4.581 1.00 0.00 C ATOM 1315 O LYS A 85 56.062 -23.178 4.791 1.00 0.00 O ATOM 1316 CB LYS A 85 53.206 -24.490 6.164 1.00 0.00 C ATOM 1317 CG LYS A 85 54.135 -25.665 6.495 1.00 0.00 C ATOM 1318 CD LYS A 85 53.289 -26.897 6.864 1.00 0.00 C ATOM 1319 CE LYS A 85 52.648 -26.733 8.247 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.345 -27.409 8.363 1.00 0.00 N ATOM 0 H LYS A 85 51.843 -22.663 5.519 1.00 0.00 H new ATOM 0 HA LYS A 85 54.415 -22.705 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 85 52.618 -24.267 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 85 52.508 -24.821 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 85 54.773 -25.891 5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.793 -25.401 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 85 52.511 -27.046 6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 85 53.916 -27.789 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 85 53.325 -27.129 9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 85 52.520 -25.671 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 51.227 -27.771 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 50.583 -26.734 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.303 -28.201 7.690 1.00 0.00 H new ATOM 1334 N HIS A 86 54.421 -23.865 3.408 1.00 0.00 N ATOM 1335 CA HIS A 86 55.279 -24.125 2.250 1.00 0.00 C ATOM 1336 C HIS A 86 56.134 -22.913 1.845 1.00 0.00 C ATOM 1337 O HIS A 86 57.292 -23.089 1.461 1.00 0.00 O ATOM 1338 CB HIS A 86 54.414 -24.601 1.083 1.00 0.00 C ATOM 1339 CG HIS A 86 53.932 -26.027 1.232 1.00 0.00 C ATOM 1340 ND1 HIS A 86 54.686 -27.133 1.570 1.00 0.00 N ATOM 1341 CD2 HIS A 86 52.653 -26.466 1.038 1.00 0.00 C ATOM 1342 CE1 HIS A 86 53.874 -28.204 1.596 1.00 0.00 C ATOM 1343 NE2 HIS A 86 52.617 -27.848 1.272 1.00 0.00 N ATOM 0 H HIS A 86 53.434 -24.052 3.232 1.00 0.00 H new ATOM 0 HA HIS A 86 55.988 -24.904 2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.551 -23.942 0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 86 54.985 -24.513 0.159 1.00 0.00 H new ATOM 0 HD2 HIS A 86 51.812 -25.852 0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 86 54.186 -29.208 1.842 1.00 0.00 H new ATOM 0 HE2 HIS A 86 51.803 -28.460 1.209 1.00 0.00 H new ATOM 1351 N LYS A 87 55.606 -21.687 1.984 1.00 0.00 N ATOM 1352 CA LYS A 87 56.363 -20.453 1.728 1.00 0.00 C ATOM 1353 C LYS A 87 57.273 -20.102 2.907 1.00 0.00 C ATOM 1354 O LYS A 87 58.397 -19.659 2.678 1.00 0.00 O ATOM 1355 CB LYS A 87 55.413 -19.284 1.422 1.00 0.00 C ATOM 1356 CG LYS A 87 54.790 -19.399 0.018 1.00 0.00 C ATOM 1357 CD LYS A 87 53.946 -18.175 -0.390 1.00 0.00 C ATOM 1358 CE LYS A 87 54.658 -16.822 -0.236 1.00 0.00 C ATOM 1359 NZ LYS A 87 55.909 -16.742 -1.037 1.00 0.00 N ATOM 0 H LYS A 87 54.643 -21.524 2.277 1.00 0.00 H new ATOM 0 HA LYS A 87 56.993 -20.629 0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 87 54.620 -19.256 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 87 55.958 -18.344 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 87 55.587 -19.539 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 87 54.163 -20.290 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 87 53.640 -18.292 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 87 53.037 -18.162 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 87 53.983 -16.023 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 87 54.892 -16.656 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 56.694 -16.441 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 56.123 -17.676 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 55.785 -16.053 -1.806 1.00 0.00 H new ATOM 1373 N LEU A 88 56.826 -20.285 4.155 1.00 0.00 N ATOM 1374 CA LEU A 88 57.634 -19.944 5.340 1.00 0.00 C ATOM 1375 C LEU A 88 58.885 -20.824 5.500 1.00 0.00 C ATOM 1376 O LEU A 88 59.939 -20.304 5.857 1.00 0.00 O ATOM 1377 CB LEU A 88 56.804 -19.979 6.629 1.00 0.00 C ATOM 1378 CG LEU A 88 55.486 -19.186 6.666 1.00 0.00 C ATOM 1379 CD1 LEU A 88 55.105 -18.893 8.118 1.00 0.00 C ATOM 1380 CD2 LEU A 88 55.418 -17.886 5.845 1.00 0.00 C ATOM 0 H LEU A 88 55.907 -20.668 4.375 1.00 0.00 H new ATOM 0 HA LEU A 88 57.975 -18.923 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.572 -21.021 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 88 57.434 -19.616 7.441 1.00 0.00 H new ATOM 0 HG LEU A 88 54.773 -19.845 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.171 -18.331 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.978 -19.832 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 88 55.894 -18.307 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 88 54.434 -17.432 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 88 56.182 -17.193 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.590 -18.111 4.792 1.00 0.00 H new ATOM 1704 N ASN B 722 32.539 -7.499 9.515 1.00 0.00 N ATOM 1705 CA ASN B 722 32.478 -7.779 10.954 1.00 0.00 C ATOM 1706 C ASN B 722 32.557 -9.281 11.292 1.00 0.00 C ATOM 1707 O ASN B 722 32.534 -9.643 12.470 1.00 0.00 O ATOM 1708 CB ASN B 722 31.264 -7.069 11.570 1.00 0.00 C ATOM 1709 CG ASN B 722 31.395 -5.553 11.527 1.00 0.00 C ATOM 1710 OD1 ASN B 722 30.569 -4.846 10.971 1.00 0.00 O ATOM 1711 ND2 ASN B 722 32.436 -4.999 12.112 1.00 0.00 N ATOM 0 HA ASN B 722 33.375 -7.367 11.417 1.00 0.00 H new ATOM 0 HB2 ASN B 722 30.362 -7.368 11.036 1.00 0.00 H new ATOM 0 HB3 ASN B 722 31.144 -7.391 12.604 1.00 0.00 H new ATOM 0 HD21 ASN B 722 32.549 -3.985 12.099 1.00 0.00 H new ATOM 0 HD22 ASN B 722 33.130 -5.583 12.578 1.00 0.00 H new ATOM 1718 N LEU B 723 32.726 -10.162 10.294 1.00 0.00 N ATOM 1719 CA LEU B 723 32.958 -11.596 10.501 1.00 0.00 C ATOM 1720 C LEU B 723 34.256 -11.884 11.283 1.00 0.00 C ATOM 1721 O LEU B 723 34.396 -12.962 11.849 1.00 0.00 O ATOM 1722 CB LEU B 723 32.959 -12.303 9.134 1.00 0.00 C ATOM 1723 CG LEU B 723 31.631 -12.225 8.364 1.00 0.00 C ATOM 1724 CD1 LEU B 723 31.809 -12.880 6.996 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.490 -12.906 9.114 1.00 0.00 C ATOM 0 H LEU B 723 32.705 -9.894 9.310 1.00 0.00 H new ATOM 0 HA LEU B 723 32.149 -11.987 11.118 1.00 0.00 H new ATOM 0 HB2 LEU B 723 33.746 -11.869 8.517 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.214 -13.352 9.284 1.00 0.00 H new ATOM 0 HG LEU B 723 31.367 -11.173 8.254 1.00 0.00 H new ATOM 0 HD11 LEU B 723 30.871 -12.829 6.443 1.00 0.00 H new ATOM 0 HD12 LEU B 723 32.587 -12.356 6.440 1.00 0.00 H new ATOM 0 HD13 LEU B 723 32.097 -13.923 7.127 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.572 -12.825 8.531 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.732 -13.958 9.267 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.350 -12.422 10.081 1.00 0.00 H new ATOM 1737 N LEU B 724 35.174 -10.909 11.339 1.00 0.00 N ATOM 1738 CA LEU B 724 36.492 -10.922 11.996 1.00 0.00 C ATOM 1739 C LEU B 724 36.582 -11.873 13.224 1.00 0.00 C ATOM 1740 O LEU B 724 35.974 -11.584 14.261 1.00 0.00 O ATOM 1741 CB LEU B 724 36.898 -9.470 12.350 1.00 0.00 C ATOM 1742 CG LEU B 724 36.734 -8.411 11.231 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.336 -7.081 11.682 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.425 -8.829 9.934 1.00 0.00 C ATOM 0 H LEU B 724 35.000 -10.012 10.887 1.00 0.00 H new ATOM 0 HA LEU B 724 37.206 -11.338 11.286 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.308 -9.151 13.210 1.00 0.00 H new ATOM 0 HB3 LEU B 724 37.942 -9.475 12.664 1.00 0.00 H new ATOM 0 HG LEU B 724 35.665 -8.314 11.042 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.217 -6.341 10.891 1.00 0.00 H new ATOM 0 HD12 LEU B 724 36.825 -6.736 12.581 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.396 -7.216 11.897 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.282 -8.055 9.180 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.491 -8.965 10.117 1.00 0.00 H new ATOM 0 HD23 LEU B 724 36.996 -9.766 9.578 1.00 0.00 H new ATOM 1756 N PRO B 725 37.300 -13.014 13.137 1.00 0.00 N ATOM 1757 CA PRO B 725 37.384 -14.013 14.212 1.00 0.00 C ATOM 1758 C PRO B 725 38.360 -13.677 15.357 1.00 0.00 C ATOM 1759 O PRO B 725 38.438 -14.427 16.331 1.00 0.00 O ATOM 1760 CB PRO B 725 37.837 -15.291 13.498 1.00 0.00 C ATOM 1761 CG PRO B 725 38.759 -14.760 12.405 1.00 0.00 C ATOM 1762 CD PRO B 725 38.035 -13.488 11.966 1.00 0.00 C ATOM 0 HA PRO B 725 36.420 -14.083 14.715 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.359 -15.968 14.174 1.00 0.00 H new ATOM 0 HB3 PRO B 725 36.994 -15.843 13.083 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.760 -14.550 12.782 1.00 0.00 H new ATOM 0 HG3 PRO B 725 38.870 -15.470 11.585 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.744 -12.736 11.620 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.357 -13.692 11.137 1.00 0.00 H new ATOM 1770 N MET B 726 39.124 -12.585 15.247 1.00 0.00 N ATOM 1771 CA MET B 726 40.156 -12.171 16.209 1.00 0.00 C ATOM 1772 C MET B 726 40.164 -10.647 16.390 1.00 0.00 C ATOM 1773 O MET B 726 39.870 -9.908 15.446 1.00 0.00 O ATOM 1774 CB MET B 726 41.489 -12.713 15.675 1.00 0.00 C ATOM 1775 CG MET B 726 42.717 -12.419 16.530 1.00 0.00 C ATOM 1776 SD MET B 726 44.208 -13.346 16.060 1.00 0.00 S ATOM 1777 CE MET B 726 44.476 -12.755 14.366 1.00 0.00 C ATOM 0 H MET B 726 39.040 -11.942 14.460 1.00 0.00 H new ATOM 0 HA MET B 726 39.963 -12.574 17.203 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.400 -13.793 15.560 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.655 -12.299 14.680 1.00 0.00 H new ATOM 0 HG2 MET B 726 42.936 -11.353 16.473 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.480 -12.641 17.571 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.407 -13.169 13.979 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.647 -13.073 13.734 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.535 -11.667 14.365 1.00 0.00 H new ATOM 1787 N SER B 727 40.489 -10.180 17.596 1.00 0.00 N ATOM 1788 CA SER B 727 40.505 -8.754 17.971 1.00 0.00 C ATOM 1789 C SER B 727 41.766 -8.018 17.479 1.00 0.00 C ATOM 1790 O SER B 727 42.757 -8.673 17.145 1.00 0.00 O ATOM 1791 CB SER B 727 40.361 -8.632 19.500 1.00 0.00 C ATOM 1792 OG SER B 727 41.609 -8.478 20.159 1.00 0.00 O ATOM 0 H SER B 727 40.757 -10.795 18.364 1.00 0.00 H new ATOM 0 HA SER B 727 39.663 -8.270 17.477 1.00 0.00 H new ATOM 0 HB2 SER B 727 39.724 -7.779 19.734 1.00 0.00 H new ATOM 0 HB3 SER B 727 39.859 -9.519 19.885 1.00 0.00 H new ATOM 0 HG SER B 727 41.462 -8.404 21.125 1.00 0.00 H new ATOM 1798 N PRO B 728 41.792 -6.668 17.454 1.00 0.00 N ATOM 1799 CA PRO B 728 42.987 -5.917 17.063 1.00 0.00 C ATOM 1800 C PRO B 728 44.133 -6.068 18.081 1.00 0.00 C ATOM 1801 O PRO B 728 45.302 -5.996 17.704 1.00 0.00 O ATOM 1802 CB PRO B 728 42.531 -4.463 16.918 1.00 0.00 C ATOM 1803 CG PRO B 728 41.345 -4.361 17.876 1.00 0.00 C ATOM 1804 CD PRO B 728 40.714 -5.752 17.808 1.00 0.00 C ATOM 0 HA PRO B 728 43.401 -6.297 16.129 1.00 0.00 H new ATOM 0 HB2 PRO B 728 43.324 -3.765 17.186 1.00 0.00 H new ATOM 0 HB3 PRO B 728 42.239 -4.235 15.893 1.00 0.00 H new ATOM 0 HG2 PRO B 728 41.666 -4.114 18.888 1.00 0.00 H new ATOM 0 HG3 PRO B 728 40.644 -3.586 17.566 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.269 -6.025 18.765 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.917 -5.783 17.065 1.00 0.00 H new ATOM 1812 N GLU B 729 43.829 -6.321 19.362 1.00 0.00 N ATOM 1813 CA GLU B 729 44.841 -6.550 20.408 1.00 0.00 C ATOM 1814 C GLU B 729 45.482 -7.939 20.251 1.00 0.00 C ATOM 1815 O GLU B 729 46.696 -8.089 20.388 1.00 0.00 O ATOM 1816 CB GLU B 729 44.220 -6.406 21.807 1.00 0.00 C ATOM 1817 CG GLU B 729 43.720 -4.980 22.077 1.00 0.00 C ATOM 1818 CD GLU B 729 43.207 -4.836 23.523 1.00 0.00 C ATOM 1819 OE1 GLU B 729 44.016 -4.517 24.430 1.00 0.00 O ATOM 1820 OE2 GLU B 729 41.990 -5.027 23.765 1.00 0.00 O ATOM 0 H GLU B 729 42.870 -6.373 19.705 1.00 0.00 H new ATOM 0 HA GLU B 729 45.619 -5.795 20.295 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.390 -7.105 21.908 1.00 0.00 H new ATOM 0 HB3 GLU B 729 44.959 -6.678 22.560 1.00 0.00 H new ATOM 0 HG2 GLU B 729 44.527 -4.269 21.902 1.00 0.00 H new ATOM 0 HG3 GLU B 729 42.921 -4.733 21.378 1.00 0.00 H new ATOM 1827 N GLU B 730 44.684 -8.953 19.902 1.00 0.00 N ATOM 1828 CA GLU B 730 45.177 -10.303 19.600 1.00 0.00 C ATOM 1829 C GLU B 730 45.989 -10.270 18.297 1.00 0.00 C ATOM 1830 O GLU B 730 47.108 -10.778 18.241 1.00 0.00 O ATOM 1831 CB GLU B 730 43.992 -11.263 19.449 1.00 0.00 C ATOM 1832 CG GLU B 730 43.244 -11.501 20.761 1.00 0.00 C ATOM 1833 CD GLU B 730 42.005 -12.394 20.549 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.129 -12.043 19.722 1.00 0.00 O ATOM 1835 OE2 GLU B 730 41.899 -13.442 21.230 1.00 0.00 O ATOM 0 H GLU B 730 43.671 -8.861 19.820 1.00 0.00 H new ATOM 0 HA GLU B 730 45.814 -10.648 20.414 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.299 -10.862 18.710 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.352 -12.217 19.064 1.00 0.00 H new ATOM 0 HG2 GLU B 730 43.913 -11.970 21.483 1.00 0.00 H new ATOM 0 HG3 GLU B 730 42.937 -10.545 21.185 1.00 0.00 H new ATOM 1842 N PHE B 731 45.450 -9.615 17.261 1.00 0.00 N ATOM 1843 CA PHE B 731 46.128 -9.420 15.974 1.00 0.00 C ATOM 1844 C PHE B 731 47.506 -8.754 16.148 1.00 0.00 C ATOM 1845 O PHE B 731 48.453 -9.138 15.465 1.00 0.00 O ATOM 1846 CB PHE B 731 45.232 -8.611 15.020 1.00 0.00 C ATOM 1847 CG PHE B 731 45.777 -8.480 13.607 1.00 0.00 C ATOM 1848 CD1 PHE B 731 46.768 -7.523 13.310 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.300 -9.321 12.582 1.00 0.00 C ATOM 1850 CE1 PHE B 731 47.313 -7.442 12.015 1.00 0.00 C ATOM 1851 CE2 PHE B 731 45.827 -9.224 11.282 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.850 -8.302 11.004 1.00 0.00 C ATOM 0 H PHE B 731 44.519 -9.200 17.294 1.00 0.00 H new ATOM 0 HA PHE B 731 46.306 -10.401 15.534 1.00 0.00 H new ATOM 0 HB2 PHE B 731 44.250 -9.083 14.976 1.00 0.00 H new ATOM 0 HB3 PHE B 731 45.088 -7.613 15.435 1.00 0.00 H new ATOM 0 HD1 PHE B 731 47.111 -6.848 14.080 1.00 0.00 H new ATOM 0 HD2 PHE B 731 44.526 -10.043 12.796 1.00 0.00 H new ATOM 0 HE1 PHE B 731 48.086 -6.720 11.798 1.00 0.00 H new ATOM 0 HE2 PHE B 731 45.445 -9.859 10.496 1.00 0.00 H new ATOM 0 HZ PHE B 731 47.280 -8.254 10.015 1.00 0.00 H new ATOM 1862 N ASP B 732 47.656 -7.794 17.069 1.00 0.00 N ATOM 1863 CA ASP B 732 48.949 -7.155 17.349 1.00 0.00 C ATOM 1864 C ASP B 732 49.986 -8.178 17.858 1.00 0.00 C ATOM 1865 O ASP B 732 51.095 -8.233 17.334 1.00 0.00 O ATOM 1866 CB ASP B 732 48.767 -6.000 18.340 1.00 0.00 C ATOM 1867 CG ASP B 732 50.087 -5.249 18.570 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.470 -4.419 17.711 1.00 0.00 O ATOM 1869 OD2 ASP B 732 50.737 -5.481 19.616 1.00 0.00 O ATOM 0 H ASP B 732 46.888 -7.439 17.639 1.00 0.00 H new ATOM 0 HA ASP B 732 49.337 -6.746 16.416 1.00 0.00 H new ATOM 0 HB2 ASP B 732 48.014 -5.309 17.962 1.00 0.00 H new ATOM 0 HB3 ASP B 732 48.396 -6.387 19.289 1.00 0.00 H new ATOM 1874 N GLU B 733 49.624 -9.045 18.811 1.00 0.00 N ATOM 1875 CA GLU B 733 50.503 -10.123 19.301 1.00 0.00 C ATOM 1876 C GLU B 733 50.837 -11.137 18.198 1.00 0.00 C ATOM 1877 O GLU B 733 51.958 -11.647 18.161 1.00 0.00 O ATOM 1878 CB GLU B 733 49.847 -10.806 20.513 1.00 0.00 C ATOM 1879 CG GLU B 733 50.792 -11.725 21.304 1.00 0.00 C ATOM 1880 CD GLU B 733 51.953 -10.972 21.978 1.00 0.00 C ATOM 1881 OE1 GLU B 733 51.740 -9.833 22.453 1.00 0.00 O ATOM 1882 OE2 GLU B 733 53.066 -11.538 22.090 1.00 0.00 O ATOM 0 H GLU B 733 48.712 -9.022 19.268 1.00 0.00 H new ATOM 0 HA GLU B 733 51.451 -9.683 19.611 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.459 -10.039 21.183 1.00 0.00 H new ATOM 0 HB3 GLU B 733 48.993 -11.390 20.169 1.00 0.00 H new ATOM 0 HG2 GLU B 733 50.220 -12.253 22.067 1.00 0.00 H new ATOM 0 HG3 GLU B 733 51.200 -12.480 20.632 1.00 0.00 H new ATOM 1889 N VAL B 734 49.920 -11.380 17.254 1.00 0.00 N ATOM 1890 CA VAL B 734 50.208 -12.224 16.092 1.00 0.00 C ATOM 1891 C VAL B 734 51.228 -11.509 15.199 1.00 0.00 C ATOM 1892 O VAL B 734 52.247 -12.095 14.841 1.00 0.00 O ATOM 1893 CB VAL B 734 48.924 -12.588 15.326 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.259 -13.322 14.034 1.00 0.00 C ATOM 1895 CG2 VAL B 734 47.974 -13.487 16.129 1.00 0.00 C ATOM 0 H VAL B 734 48.972 -11.003 17.274 1.00 0.00 H new ATOM 0 HA VAL B 734 50.636 -13.168 16.428 1.00 0.00 H new ATOM 0 HB VAL B 734 48.427 -11.638 15.129 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.338 -13.570 13.507 1.00 0.00 H new ATOM 0 HG12 VAL B 734 49.877 -12.684 13.403 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.802 -14.238 14.266 1.00 0.00 H new ATOM 0 HG21 VAL B 734 47.089 -13.706 15.532 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.481 -14.418 16.382 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.677 -12.976 17.045 1.00 0.00 H new ATOM 1905 N SER B 735 51.004 -10.230 14.888 1.00 0.00 N ATOM 1906 CA SER B 735 51.899 -9.390 14.081 1.00 0.00 C ATOM 1907 C SER B 735 53.322 -9.315 14.655 1.00 0.00 C ATOM 1908 O SER B 735 54.287 -9.396 13.892 1.00 0.00 O ATOM 1909 CB SER B 735 51.292 -7.990 13.930 1.00 0.00 C ATOM 1910 OG SER B 735 52.028 -7.228 12.988 1.00 0.00 O ATOM 0 H SER B 735 50.170 -9.733 15.199 1.00 0.00 H new ATOM 0 HA SER B 735 51.993 -9.854 13.099 1.00 0.00 H new ATOM 0 HB2 SER B 735 50.253 -8.070 13.609 1.00 0.00 H new ATOM 0 HB3 SER B 735 51.290 -7.482 14.895 1.00 0.00 H new ATOM 0 HG SER B 735 51.627 -6.338 12.902 1.00 0.00 H new ATOM 1916 N ARG B 736 53.480 -9.233 15.990 1.00 0.00 N ATOM 1917 CA ARG B 736 54.799 -9.220 16.665 1.00 0.00 C ATOM 1918 C ARG B 736 55.662 -10.432 16.289 1.00 0.00 C ATOM 1919 O ARG B 736 56.870 -10.286 16.101 1.00 0.00 O ATOM 1920 CB ARG B 736 54.642 -9.182 18.197 1.00 0.00 C ATOM 1921 CG ARG B 736 54.142 -7.838 18.746 1.00 0.00 C ATOM 1922 CD ARG B 736 53.884 -7.943 20.255 1.00 0.00 C ATOM 1923 NE ARG B 736 52.954 -6.898 20.715 1.00 0.00 N ATOM 1924 CZ ARG B 736 52.803 -6.427 21.935 1.00 0.00 C ATOM 1925 NH1 ARG B 736 53.547 -6.796 22.940 1.00 0.00 N ATOM 1926 NH2 ARG B 736 51.871 -5.547 22.142 1.00 0.00 N ATOM 0 H ARG B 736 52.694 -9.173 16.637 1.00 0.00 H new ATOM 0 HA ARG B 736 55.301 -8.316 16.322 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.948 -9.966 18.499 1.00 0.00 H new ATOM 0 HB3 ARG B 736 55.603 -9.414 18.655 1.00 0.00 H new ATOM 0 HG2 ARG B 736 54.880 -7.060 18.549 1.00 0.00 H new ATOM 0 HG3 ARG B 736 53.226 -7.546 18.233 1.00 0.00 H new ATOM 0 HD2 ARG B 736 53.474 -8.926 20.488 1.00 0.00 H new ATOM 0 HD3 ARG B 736 54.827 -7.856 20.794 1.00 0.00 H new ATOM 0 HE ARG B 736 52.353 -6.489 20.000 1.00 0.00 H new ATOM 0 HH11 ARG B 736 54.289 -7.482 22.800 1.00 0.00 H new ATOM 0 HH12 ARG B 736 53.387 -6.399 23.866 1.00 0.00 H new ATOM 0 HH21 ARG B 736 51.280 -5.239 21.370 1.00 0.00 H new ATOM 0 HH22 ARG B 736 51.730 -5.164 23.077 1.00 0.00 H new ATOM 1940 N ILE B 737 55.046 -11.612 16.181 1.00 0.00 N ATOM 1941 CA ILE B 737 55.736 -12.871 15.837 1.00 0.00 C ATOM 1942 C ILE B 737 55.809 -13.101 14.319 1.00 0.00 C ATOM 1943 O ILE B 737 56.869 -13.448 13.797 1.00 0.00 O ATOM 1944 CB ILE B 737 55.046 -14.072 16.526 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.951 -13.835 18.052 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.801 -15.385 16.221 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.403 -15.027 18.840 1.00 0.00 C ATOM 0 H ILE B 737 54.044 -11.728 16.330 1.00 0.00 H new ATOM 0 HA ILE B 737 56.759 -12.785 16.202 1.00 0.00 H new ATOM 0 HB ILE B 737 54.035 -14.164 16.128 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.942 -13.587 18.432 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.314 -12.969 18.235 1.00 0.00 H new ATOM 0 HG21 ILE B 737 55.299 -16.217 16.715 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.813 -15.556 15.145 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.825 -15.310 16.588 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.369 -14.778 19.901 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.398 -15.263 18.491 1.00 0.00 H new ATOM 0 HD13 ILE B 737 55.051 -15.891 18.691 1.00 0.00 H new ATOM 1959 N VAL B 738 54.692 -12.931 13.602 1.00 0.00 N ATOM 1960 CA VAL B 738 54.592 -13.160 12.146 1.00 0.00 C ATOM 1961 C VAL B 738 55.447 -12.176 11.339 1.00 0.00 C ATOM 1962 O VAL B 738 55.988 -12.538 10.295 1.00 0.00 O ATOM 1963 CB VAL B 738 53.118 -13.147 11.691 1.00 0.00 C ATOM 1964 CG1 VAL B 738 52.962 -13.381 10.183 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.349 -14.282 12.382 1.00 0.00 C ATOM 0 H VAL B 738 53.813 -12.625 14.020 1.00 0.00 H new ATOM 0 HA VAL B 738 54.998 -14.151 11.944 1.00 0.00 H new ATOM 0 HB VAL B 738 52.732 -12.162 11.952 1.00 0.00 H new ATOM 0 HG11 VAL B 738 51.905 -13.362 9.919 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.487 -12.597 9.637 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.384 -14.351 9.920 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.309 -14.267 12.057 1.00 0.00 H new ATOM 0 HG22 VAL B 738 52.798 -15.239 12.118 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.393 -14.146 13.463 1.00 0.00 H new ATOM 1975 N GLY B 739 55.593 -10.940 11.822 1.00 0.00 N ATOM 1976 CA GLY B 739 56.396 -9.875 11.197 1.00 0.00 C ATOM 1977 C GLY B 739 56.075 -9.587 9.720 1.00 0.00 C ATOM 1978 O GLY B 739 56.934 -9.099 8.984 1.00 0.00 O ATOM 0 H GLY B 739 55.143 -10.639 12.686 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.257 -8.956 11.767 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.449 -10.143 11.277 1.00 0.00 H new ATOM 1982 N SER B 740 54.850 -9.902 9.281 1.00 0.00 N ATOM 1983 CA SER B 740 54.331 -9.753 7.908 1.00 0.00 C ATOM 1984 C SER B 740 55.161 -10.413 6.782 1.00 0.00 C ATOM 1985 O SER B 740 54.983 -10.035 5.625 1.00 0.00 O ATOM 1986 CB SER B 740 54.035 -8.276 7.595 1.00 0.00 C ATOM 1987 OG SER B 740 53.143 -7.716 8.549 1.00 0.00 O ATOM 0 H SER B 740 54.149 -10.292 9.911 1.00 0.00 H new ATOM 0 HA SER B 740 53.405 -10.328 7.909 1.00 0.00 H new ATOM 0 HB2 SER B 740 54.966 -7.710 7.588 1.00 0.00 H new ATOM 0 HB3 SER B 740 53.604 -8.193 6.597 1.00 0.00 H new ATOM 0 HG SER B 740 52.974 -6.777 8.327 1.00 0.00 H new ATOM 1993 N VAL B 741 56.029 -11.393 7.101 1.00 0.00 N ATOM 1994 CA VAL B 741 56.922 -12.192 6.213 1.00 0.00 C ATOM 1995 C VAL B 741 56.820 -11.884 4.703 1.00 0.00 C ATOM 1996 O VAL B 741 57.660 -11.167 4.158 1.00 0.00 O ATOM 1997 CB VAL B 741 56.763 -13.713 6.484 1.00 0.00 C ATOM 1998 CG1 VAL B 741 57.712 -14.164 7.599 1.00 0.00 C ATOM 1999 CG2 VAL B 741 55.336 -14.154 6.865 1.00 0.00 C ATOM 0 H VAL B 741 56.139 -11.678 8.074 1.00 0.00 H new ATOM 0 HA VAL B 741 57.928 -11.872 6.485 1.00 0.00 H new ATOM 0 HB VAL B 741 57.005 -14.187 5.533 1.00 0.00 H new ATOM 0 HG11 VAL B 741 57.586 -15.232 7.774 1.00 0.00 H new ATOM 0 HG12 VAL B 741 58.742 -13.964 7.303 1.00 0.00 H new ATOM 0 HG13 VAL B 741 57.484 -13.617 8.514 1.00 0.00 H new ATOM 0 HG21 VAL B 741 55.321 -15.230 7.035 1.00 0.00 H new ATOM 0 HG22 VAL B 741 55.026 -13.638 7.774 1.00 0.00 H new ATOM 0 HG23 VAL B 741 54.650 -13.905 6.055 1.00 0.00 H new ATOM 2009 N GLU B 742 55.764 -12.375 4.049 1.00 0.00 N ATOM 2010 CA GLU B 742 55.376 -12.140 2.641 1.00 0.00 C ATOM 2011 C GLU B 742 53.832 -12.116 2.547 1.00 0.00 C ATOM 2012 O GLU B 742 53.218 -12.544 1.570 1.00 0.00 O ATOM 2013 CB GLU B 742 55.958 -13.230 1.728 1.00 0.00 C ATOM 2014 CG GLU B 742 57.488 -13.227 1.663 1.00 0.00 C ATOM 2015 CD GLU B 742 57.986 -14.180 0.568 1.00 0.00 C ATOM 2016 OE1 GLU B 742 57.630 -15.381 0.619 1.00 0.00 O ATOM 2017 OE2 GLU B 742 58.710 -13.741 -0.357 1.00 0.00 O ATOM 0 H GLU B 742 55.103 -12.995 4.518 1.00 0.00 H new ATOM 0 HA GLU B 742 55.777 -11.183 2.308 1.00 0.00 H new ATOM 0 HB2 GLU B 742 55.620 -14.205 2.080 1.00 0.00 H new ATOM 0 HB3 GLU B 742 55.560 -13.099 0.722 1.00 0.00 H new ATOM 0 HG2 GLU B 742 57.847 -12.217 1.464 1.00 0.00 H new ATOM 0 HG3 GLU B 742 57.899 -13.527 2.627 1.00 0.00 H new ATOM 2024 N PHE B 743 53.213 -11.681 3.645 1.00 0.00 N ATOM 2025 CA PHE B 743 51.793 -11.686 3.976 1.00 0.00 C ATOM 2026 C PHE B 743 50.794 -11.346 2.851 1.00 0.00 C ATOM 2027 O PHE B 743 49.774 -12.020 2.699 1.00 0.00 O ATOM 2028 CB PHE B 743 51.655 -10.759 5.186 1.00 0.00 C ATOM 2029 CG PHE B 743 50.452 -10.981 6.063 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.181 -12.262 6.580 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.679 -9.876 6.461 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.135 -12.423 7.501 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.624 -10.050 7.369 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.345 -11.325 7.878 1.00 0.00 C ATOM 0 H PHE B 743 53.757 -11.273 4.405 1.00 0.00 H new ATOM 0 HA PHE B 743 51.500 -12.716 4.182 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.550 -10.863 5.800 1.00 0.00 H new ATOM 0 HB3 PHE B 743 51.632 -9.730 4.828 1.00 0.00 H new ATOM 0 HD1 PHE B 743 50.772 -13.112 6.271 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.897 -8.894 6.068 1.00 0.00 H new ATOM 0 HE1 PHE B 743 48.936 -13.397 7.923 1.00 0.00 H new ATOM 0 HE2 PHE B 743 48.028 -9.203 7.675 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.521 -11.464 8.562 1.00 0.00 H new ATOM 2044 N ASP B 744 51.088 -10.339 2.026 1.00 0.00 N ATOM 2045 CA ASP B 744 50.260 -9.931 0.876 1.00 0.00 C ATOM 2046 C ASP B 744 50.224 -10.956 -0.285 1.00 0.00 C ATOM 2047 O ASP B 744 49.475 -10.777 -1.249 1.00 0.00 O ATOM 2048 CB ASP B 744 50.734 -8.556 0.384 1.00 0.00 C ATOM 2049 CG ASP B 744 52.182 -8.595 -0.134 1.00 0.00 C ATOM 2050 OD1 ASP B 744 52.399 -8.958 -1.314 1.00 0.00 O ATOM 2051 OD2 ASP B 744 53.108 -8.273 0.649 1.00 0.00 O ATOM 0 H ASP B 744 51.926 -9.768 2.136 1.00 0.00 H new ATOM 0 HA ASP B 744 49.230 -9.879 1.229 1.00 0.00 H new ATOM 0 HB2 ASP B 744 50.074 -8.209 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP B 744 50.660 -7.835 1.198 1.00 0.00 H new ATOM 2056 N SER B 745 51.020 -12.028 -0.189 1.00 0.00 N ATOM 2057 CA SER B 745 51.162 -13.115 -1.169 1.00 0.00 C ATOM 2058 C SER B 745 50.868 -14.514 -0.594 1.00 0.00 C ATOM 2059 O SER B 745 51.039 -15.505 -1.304 1.00 0.00 O ATOM 2060 CB SER B 745 52.563 -13.068 -1.800 1.00 0.00 C ATOM 2061 OG SER B 745 52.740 -11.894 -2.579 1.00 0.00 O ATOM 0 H SER B 745 51.619 -12.169 0.624 1.00 0.00 H new ATOM 0 HA SER B 745 50.404 -12.947 -1.934 1.00 0.00 H new ATOM 0 HB2 SER B 745 53.319 -13.103 -1.015 1.00 0.00 H new ATOM 0 HB3 SER B 745 52.712 -13.948 -2.426 1.00 0.00 H new ATOM 0 HG SER B 745 52.577 -11.104 -2.022 1.00 0.00 H new ATOM 2067 N MET B 746 50.370 -14.632 0.649 1.00 0.00 N ATOM 2068 CA MET B 746 49.958 -15.926 1.249 1.00 0.00 C ATOM 2069 C MET B 746 48.837 -16.619 0.446 1.00 0.00 C ATOM 2070 O MET B 746 48.637 -17.829 0.555 1.00 0.00 O ATOM 2071 CB MET B 746 49.477 -15.733 2.690 1.00 0.00 C ATOM 2072 CG MET B 746 50.537 -15.241 3.687 1.00 0.00 C ATOM 2073 SD MET B 746 52.302 -15.321 3.246 1.00 0.00 S ATOM 2074 CE MET B 746 52.556 -17.107 3.190 1.00 0.00 C ATOM 0 H MET B 746 50.239 -13.835 1.272 1.00 0.00 H new ATOM 0 HA MET B 746 50.843 -16.562 1.230 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.651 -15.021 2.685 1.00 0.00 H new ATOM 0 HB3 MET B 746 49.079 -16.681 3.050 1.00 0.00 H new ATOM 0 HG2 MET B 746 50.307 -14.201 3.919 1.00 0.00 H new ATOM 0 HG3 MET B 746 50.406 -15.810 4.608 1.00 0.00 H new ATOM 0 HE1 MET B 746 53.103 -17.425 4.078 1.00 0.00 H new ATOM 0 HE2 MET B 746 51.590 -17.611 3.159 1.00 0.00 H new ATOM 0 HE3 MET B 746 53.128 -17.365 2.299 1.00 0.00 H new