USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1076 hydrogens (28 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 86 TYR OH : rot -116:sc= 0.118 USER MOD Set 1.2: A 90 GLN : amide:sc= 0.0567 K(o=0.17,f=-1.7!) USER MOD Set 2.1: A 57 CYS SG : rot 130:sc= -1.27 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -2.13! C(o=-3.4!,f=-4.8!) USER MOD Set 3.1: A 29 TYR OH : rot 151:sc= 0.404 USER MOD Set 3.2: A 97 THR OG1 : rot 64:sc= 0.924 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.959 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.68) USER MOD Single : A 28 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-9.6!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.08 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.305 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 59 GLN : amide:sc= -0.0335 X(o=-0.034,f=-0.26) USER MOD Single : A 63 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.55) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 92:sc= 0.278 USER MOD Single : A 69 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.2!) USER MOD Single : A 70 THR OG1 : rot -48:sc= 0.774 USER MOD Single : A 72 SER OG : rot -172:sc= 0.249 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 79 TYR OH : rot 120:sc= -0.182 USER MOD Single : A 80 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.67) USER MOD Single : A 81 THR OG1 : rot 90:sc= -0.721 USER MOD Single : A 87 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= -0.0151 (180deg=-0.0191) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= -0.108 (180deg=-0.594) USER MOD Single : A 108 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.033) USER MOD Single : A 109 ASN : amide:sc=-0.00689 X(o=-0.0069,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -113:sc= -0.181 (180deg=-4.02!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0826 K(o=-0.083,f=-3.5!) USER MOD Single : A 117 GLN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 122 THR OG1 : rot -69:sc= 1.08 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.672 K(o=-0.67,f=-0.059) USER MOD Single : A 129 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 130 GLN : amide:sc= -0.0412 X(o=-0.041,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.62) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -156:sc= 0.0743 USER MOD Single : A 300 PBU O3 : rot 180:sc= 0.0759 USER MOD Single : A 300 PBU O6 : rot 21:sc= 0.0758 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 2 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 2 2.889 1.263 -1.434 1.00 44.44 C ATOM 4 O GLY A 2 2.368 2.290 -1.868 1.00 12.32 O ATOM 0 HA2 GLY A 2 2.733 -0.865 -1.273 1.00 45.03 H new ATOM 0 HA3 GLY A 2 1.375 -0.104 -2.080 1.00 45.03 H new ATOM 8 N ALA A 3 4.175 1.188 -1.105 1.00 52.04 N ATOM 9 CA ALA A 3 5.066 2.333 -1.240 1.00 2.40 C ATOM 10 C ALA A 3 4.509 3.551 -0.510 1.00 45.11 C ATOM 11 O ALA A 3 4.264 4.593 -1.119 1.00 22.33 O ATOM 12 CB ALA A 3 5.294 2.655 -2.710 1.00 1.14 C ATOM 0 H ALA A 3 4.622 0.346 -0.743 1.00 52.04 H new ATOM 0 HA ALA A 3 6.022 2.074 -0.784 1.00 2.40 H new ATOM 0 HB1 ALA A 3 5.961 3.512 -2.795 1.00 1.14 H new ATOM 0 HB2 ALA A 3 5.744 1.794 -3.205 1.00 1.14 H new ATOM 0 HB3 ALA A 3 4.340 2.889 -3.183 1.00 1.14 H new ATOM 18 N ARG A 4 4.312 3.413 0.797 1.00 73.42 N ATOM 19 CA ARG A 4 3.782 4.501 1.609 1.00 52.21 C ATOM 20 C ARG A 4 2.431 4.969 1.076 1.00 13.21 C ATOM 21 O ARG A 4 2.363 5.808 0.178 1.00 23.02 O ATOM 22 CB ARG A 4 4.766 5.673 1.634 1.00 35.52 C ATOM 23 CG ARG A 4 6.130 5.310 2.198 1.00 52.03 C ATOM 24 CD ARG A 4 7.230 6.160 1.582 1.00 25.03 C ATOM 25 NE ARG A 4 8.162 6.662 2.589 1.00 13.20 N ATOM 26 CZ ARG A 4 9.173 7.478 2.313 1.00 63.44 C ATOM 27 NH1 ARG A 4 9.383 7.881 1.067 1.00 14.01 N ATOM 28 NH2 ARG A 4 9.978 7.892 3.283 1.00 34.44 N ATOM 0 H ARG A 4 4.512 2.558 1.316 1.00 73.42 H new ATOM 0 HA ARG A 4 3.644 4.129 2.624 1.00 52.21 H new ATOM 0 HB2 ARG A 4 4.891 6.054 0.620 1.00 35.52 H new ATOM 0 HB3 ARG A 4 4.340 6.482 2.228 1.00 35.52 H new ATOM 0 HG2 ARG A 4 6.126 5.446 3.280 1.00 52.03 H new ATOM 0 HG3 ARG A 4 6.334 4.256 2.010 1.00 52.03 H new ATOM 0 HD2 ARG A 4 7.775 5.569 0.846 1.00 25.03 H new ATOM 0 HD3 ARG A 4 6.784 7.000 1.050 1.00 25.03 H new ATOM 0 HE ARG A 4 8.029 6.370 3.557 1.00 13.20 H new ATOM 0 HH11 ARG A 4 8.767 7.564 0.318 1.00 14.01 H new ATOM 0 HH12 ARG A 4 10.160 8.508 0.858 1.00 14.01 H new ATOM 0 HH21 ARG A 4 9.821 7.584 4.243 1.00 34.44 H new ATOM 0 HH22 ARG A 4 10.754 8.519 3.069 1.00 34.44 H new ATOM 42 N ALA A 5 1.358 4.420 1.636 1.00 55.34 N ATOM 43 CA ALA A 5 0.009 4.782 1.218 1.00 13.41 C ATOM 44 C ALA A 5 -0.409 6.122 1.814 1.00 15.14 C ATOM 45 O ALA A 5 -1.395 6.206 2.547 1.00 75.25 O ATOM 46 CB ALA A 5 -0.977 3.694 1.617 1.00 52.21 C ATOM 0 H ALA A 5 1.397 3.723 2.380 1.00 55.34 H new ATOM 0 HA ALA A 5 0.005 4.880 0.132 1.00 13.41 H new ATOM 0 HB1 ALA A 5 -1.980 3.978 1.299 1.00 52.21 H new ATOM 0 HB2 ALA A 5 -0.696 2.755 1.139 1.00 52.21 H new ATOM 0 HB3 ALA A 5 -0.962 3.568 2.700 1.00 52.21 H new ATOM 52 N SER A 6 0.347 7.168 1.497 1.00 70.12 N ATOM 53 CA SER A 6 0.057 8.504 2.005 1.00 20.52 C ATOM 54 C SER A 6 -0.518 9.391 0.905 1.00 20.51 C ATOM 55 O SER A 6 -0.096 9.320 -0.249 1.00 72.13 O ATOM 56 CB SER A 6 1.324 9.140 2.579 1.00 44.10 C ATOM 57 OG SER A 6 1.291 9.156 3.996 1.00 54.35 O ATOM 0 H SER A 6 1.165 7.116 0.890 1.00 70.12 H new ATOM 0 HA SER A 6 -0.686 8.411 2.798 1.00 20.52 H new ATOM 0 HB2 SER A 6 2.199 8.586 2.239 1.00 44.10 H new ATOM 0 HB3 SER A 6 1.426 10.158 2.203 1.00 44.10 H new ATOM 0 HG SER A 6 2.113 9.566 4.338 1.00 54.35 H new ATOM 63 N VAL A 7 -1.485 10.226 1.272 1.00 5.10 N ATOM 64 CA VAL A 7 -2.118 11.129 0.318 1.00 20.50 C ATOM 65 C VAL A 7 -1.221 12.323 0.012 1.00 31.22 C ATOM 66 O VAL A 7 -0.906 12.596 -1.147 1.00 25.33 O ATOM 67 CB VAL A 7 -3.473 11.639 0.843 1.00 40.20 C ATOM 68 CG1 VAL A 7 -4.086 12.630 -0.135 1.00 4.20 C ATOM 69 CG2 VAL A 7 -4.418 10.475 1.097 1.00 34.14 C ATOM 0 H VAL A 7 -1.847 10.296 2.223 1.00 5.10 H new ATOM 0 HA VAL A 7 -2.282 10.559 -0.596 1.00 20.50 H new ATOM 0 HB VAL A 7 -3.306 12.154 1.789 1.00 40.20 H new ATOM 0 HG11 VAL A 7 -5.043 12.979 0.253 1.00 4.20 H new ATOM 0 HG12 VAL A 7 -3.414 13.479 -0.262 1.00 4.20 H new ATOM 0 HG13 VAL A 7 -4.241 12.143 -1.098 1.00 4.20 H new ATOM 0 HG21 VAL A 7 -5.371 10.854 1.468 1.00 34.14 H new ATOM 0 HG22 VAL A 7 -4.581 9.929 0.168 1.00 34.14 H new ATOM 0 HG23 VAL A 7 -3.980 9.806 1.838 1.00 34.14 H new ATOM 79 N LEU A 8 -0.812 13.032 1.059 1.00 75.24 N ATOM 80 CA LEU A 8 0.050 14.198 0.903 1.00 51.11 C ATOM 81 C LEU A 8 1.426 13.943 1.510 1.00 72.12 C ATOM 82 O LEU A 8 1.539 13.414 2.615 1.00 21.05 O ATOM 83 CB LEU A 8 -0.591 15.422 1.560 1.00 42.02 C ATOM 84 CG LEU A 8 -1.879 15.933 0.914 1.00 35.23 C ATOM 85 CD1 LEU A 8 -2.482 17.057 1.742 1.00 1.32 C ATOM 86 CD2 LEU A 8 -1.614 16.400 -0.510 1.00 31.54 C ATOM 0 H LEU A 8 -1.064 12.820 2.024 1.00 75.24 H new ATOM 0 HA LEU A 8 0.173 14.388 -0.163 1.00 51.11 H new ATOM 0 HB2 LEU A 8 -0.801 15.182 2.602 1.00 42.02 H new ATOM 0 HB3 LEU A 8 0.138 16.233 1.561 1.00 42.02 H new ATOM 0 HG LEU A 8 -2.595 15.112 0.878 1.00 35.23 H new ATOM 0 HD11 LEU A 8 -3.398 17.408 1.267 1.00 1.32 H new ATOM 0 HD12 LEU A 8 -2.710 16.690 2.743 1.00 1.32 H new ATOM 0 HD13 LEU A 8 -1.771 17.880 1.811 1.00 1.32 H new ATOM 0 HD21 LEU A 8 -2.542 16.760 -0.953 1.00 31.54 H new ATOM 0 HD22 LEU A 8 -0.881 17.206 -0.498 1.00 31.54 H new ATOM 0 HD23 LEU A 8 -1.229 15.568 -1.100 1.00 31.54 H new ATOM 98 N SER A 9 2.469 14.324 0.780 1.00 50.53 N ATOM 99 CA SER A 9 3.838 14.136 1.245 1.00 31.43 C ATOM 100 C SER A 9 4.188 15.150 2.330 1.00 52.24 C ATOM 101 O SER A 9 3.315 15.840 2.855 1.00 20.33 O ATOM 102 CB SER A 9 4.818 14.262 0.077 1.00 21.34 C ATOM 103 OG SER A 9 5.316 15.584 -0.030 1.00 52.11 O ATOM 0 H SER A 9 2.392 14.765 -0.136 1.00 50.53 H new ATOM 0 HA SER A 9 3.917 13.135 1.669 1.00 31.43 H new ATOM 0 HB2 SER A 9 5.647 13.568 0.217 1.00 21.34 H new ATOM 0 HB3 SER A 9 4.320 13.981 -0.851 1.00 21.34 H new ATOM 0 HG SER A 9 5.941 15.638 -0.783 1.00 52.11 H new ATOM 109 N GLY A 10 5.473 15.235 2.659 1.00 1.33 N ATOM 110 CA GLY A 10 5.917 16.167 3.679 1.00 3.41 C ATOM 111 C GLY A 10 5.631 17.610 3.310 1.00 21.45 C ATOM 112 O GLY A 10 4.875 18.295 3.998 1.00 42.13 O ATOM 0 H GLY A 10 6.214 14.675 2.238 1.00 1.33 H new ATOM 0 HA2 GLY A 10 5.423 15.932 4.622 1.00 3.41 H new ATOM 0 HA3 GLY A 10 6.988 16.042 3.840 1.00 3.41 H new ATOM 116 N GLY A 11 6.239 18.073 2.222 1.00 34.41 N ATOM 117 CA GLY A 11 6.034 19.441 1.784 1.00 72.25 C ATOM 118 C GLY A 11 4.575 19.750 1.512 1.00 50.31 C ATOM 119 O GLY A 11 4.122 20.874 1.728 1.00 63.13 O ATOM 0 H GLY A 11 6.870 17.525 1.636 1.00 34.41 H new ATOM 0 HA2 GLY A 11 6.411 20.124 2.546 1.00 72.25 H new ATOM 0 HA3 GLY A 11 6.615 19.621 0.879 1.00 72.25 H new ATOM 123 N GLU A 12 3.838 18.751 1.036 1.00 43.33 N ATOM 124 CA GLU A 12 2.423 18.924 0.732 1.00 14.50 C ATOM 125 C GLU A 12 1.600 19.028 2.013 1.00 30.42 C ATOM 126 O GLU A 12 0.705 19.867 2.124 1.00 31.40 O ATOM 127 CB GLU A 12 1.915 17.760 -0.121 1.00 20.24 C ATOM 128 CG GLU A 12 2.824 17.420 -1.290 1.00 30.02 C ATOM 129 CD GLU A 12 2.158 16.505 -2.300 1.00 3.43 C ATOM 130 OE1 GLU A 12 1.993 15.306 -1.994 1.00 65.44 O ATOM 131 OE2 GLU A 12 1.803 16.989 -3.395 1.00 35.23 O ATOM 0 H GLU A 12 4.198 17.814 0.853 1.00 43.33 H new ATOM 0 HA GLU A 12 2.309 19.852 0.171 1.00 14.50 H new ATOM 0 HB2 GLU A 12 1.805 16.879 0.511 1.00 20.24 H new ATOM 0 HB3 GLU A 12 0.924 18.005 -0.502 1.00 20.24 H new ATOM 0 HG2 GLU A 12 3.131 18.341 -1.786 1.00 30.02 H new ATOM 0 HG3 GLU A 12 3.729 16.943 -0.915 1.00 30.02 H new ATOM 138 N LEU A 13 1.909 18.169 2.978 1.00 21.32 N ATOM 139 CA LEU A 13 1.199 18.162 4.253 1.00 71.55 C ATOM 140 C LEU A 13 1.185 19.554 4.876 1.00 60.40 C ATOM 141 O LEU A 13 0.131 20.063 5.258 1.00 44.22 O ATOM 142 CB LEU A 13 1.848 17.166 5.215 1.00 20.41 C ATOM 143 CG LEU A 13 0.994 16.729 6.406 1.00 1.21 C ATOM 144 CD1 LEU A 13 1.679 15.608 7.172 1.00 61.23 C ATOM 145 CD2 LEU A 13 0.715 17.911 7.323 1.00 32.35 C ATOM 0 H LEU A 13 2.646 17.468 2.902 1.00 21.32 H new ATOM 0 HA LEU A 13 0.169 17.858 4.066 1.00 71.55 H new ATOM 0 HB2 LEU A 13 2.130 16.277 4.650 1.00 20.41 H new ATOM 0 HB3 LEU A 13 2.769 17.607 5.596 1.00 20.41 H new ATOM 0 HG LEU A 13 0.043 16.354 6.029 1.00 1.21 H new ATOM 0 HD11 LEU A 13 1.056 15.310 8.016 1.00 61.23 H new ATOM 0 HD12 LEU A 13 1.827 14.754 6.511 1.00 61.23 H new ATOM 0 HD13 LEU A 13 2.645 15.955 7.539 1.00 61.23 H new ATOM 0 HD21 LEU A 13 0.106 17.582 8.165 1.00 32.35 H new ATOM 0 HD22 LEU A 13 1.657 18.315 7.692 1.00 32.35 H new ATOM 0 HD23 LEU A 13 0.181 18.683 6.769 1.00 32.35 H new ATOM 157 N ASP A 14 2.361 20.164 4.974 1.00 71.21 N ATOM 158 CA ASP A 14 2.484 21.499 5.548 1.00 60.21 C ATOM 159 C ASP A 14 1.538 22.476 4.858 1.00 42.55 C ATOM 160 O ASP A 14 0.655 23.056 5.491 1.00 64.50 O ATOM 161 CB ASP A 14 3.926 21.996 5.431 1.00 13.24 C ATOM 162 CG ASP A 14 4.886 21.194 6.288 1.00 52.31 C ATOM 163 OD1 ASP A 14 4.498 20.805 7.410 1.00 53.24 O ATOM 164 OD2 ASP A 14 6.025 20.955 5.836 1.00 31.02 O ATOM 0 H ASP A 14 3.243 19.755 4.664 1.00 71.21 H new ATOM 0 HA ASP A 14 2.212 21.442 6.602 1.00 60.21 H new ATOM 0 HB2 ASP A 14 4.242 21.943 4.389 1.00 13.24 H new ATOM 0 HB3 ASP A 14 3.971 23.045 5.725 1.00 13.24 H new ATOM 169 N LYS A 15 1.729 22.657 3.555 1.00 22.31 N ATOM 170 CA LYS A 15 0.894 23.564 2.777 1.00 31.01 C ATOM 171 C LYS A 15 -0.584 23.234 2.960 1.00 51.04 C ATOM 172 O LYS A 15 -1.418 24.130 3.093 1.00 5.13 O ATOM 173 CB LYS A 15 1.265 23.487 1.294 1.00 3.15 C ATOM 174 CG LYS A 15 2.651 24.028 0.986 1.00 74.04 C ATOM 175 CD LYS A 15 3.186 23.475 -0.325 1.00 32.25 C ATOM 176 CE LYS A 15 4.510 24.121 -0.703 1.00 54.20 C ATOM 177 NZ LYS A 15 5.482 23.125 -1.233 1.00 55.43 N ATOM 0 H LYS A 15 2.456 22.187 3.016 1.00 22.31 H new ATOM 0 HA LYS A 15 1.069 24.578 3.137 1.00 31.01 H new ATOM 0 HB2 LYS A 15 1.208 22.449 0.967 1.00 3.15 H new ATOM 0 HB3 LYS A 15 0.529 24.044 0.714 1.00 3.15 H new ATOM 0 HG2 LYS A 15 2.615 25.116 0.935 1.00 74.04 H new ATOM 0 HG3 LYS A 15 3.332 23.769 1.796 1.00 74.04 H new ATOM 0 HD2 LYS A 15 3.317 22.396 -0.240 1.00 32.25 H new ATOM 0 HD3 LYS A 15 2.457 23.645 -1.117 1.00 32.25 H new ATOM 0 HE2 LYS A 15 4.336 24.893 -1.452 1.00 54.20 H new ATOM 0 HE3 LYS A 15 4.936 24.615 0.171 1.00 54.20 H new ATOM 0 HZ1 LYS A 15 6.371 23.605 -1.479 1.00 55.43 H new ATOM 0 HZ2 LYS A 15 5.668 22.402 -0.509 1.00 55.43 H new ATOM 0 HZ3 LYS A 15 5.087 22.672 -2.082 1.00 55.43 H new ATOM 191 N TRP A 16 -0.901 21.944 2.965 1.00 11.44 N ATOM 192 CA TRP A 16 -2.279 21.497 3.133 1.00 12.12 C ATOM 193 C TRP A 16 -2.898 22.100 4.390 1.00 70.15 C ATOM 194 O TRP A 16 -4.031 22.580 4.365 1.00 62.45 O ATOM 195 CB TRP A 16 -2.336 19.970 3.204 1.00 54.23 C ATOM 196 CG TRP A 16 -3.677 19.445 3.620 1.00 60.43 C ATOM 197 CD1 TRP A 16 -4.039 19.017 4.865 1.00 71.40 C ATOM 198 CD2 TRP A 16 -4.832 19.290 2.788 1.00 33.13 C ATOM 199 NE1 TRP A 16 -5.350 18.605 4.858 1.00 51.02 N ATOM 200 CE2 TRP A 16 -5.859 18.763 3.596 1.00 13.41 C ATOM 201 CE3 TRP A 16 -5.100 19.547 1.441 1.00 20.31 C ATOM 202 CZ2 TRP A 16 -7.130 18.489 3.099 1.00 54.13 C ATOM 203 CZ3 TRP A 16 -6.362 19.273 0.949 1.00 40.51 C ATOM 204 CH2 TRP A 16 -7.365 18.750 1.776 1.00 64.00 C ATOM 0 H TRP A 16 -0.223 21.190 2.855 1.00 11.44 H new ATOM 0 HA TRP A 16 -2.852 21.836 2.270 1.00 12.12 H new ATOM 0 HB2 TRP A 16 -2.079 19.558 2.228 1.00 54.23 H new ATOM 0 HB3 TRP A 16 -1.582 19.618 3.907 1.00 54.23 H new ATOM 0 HD1 TRP A 16 -3.390 19.004 5.728 1.00 71.40 H new ATOM 0 HE1 TRP A 16 -5.861 18.241 5.662 1.00 51.02 H new ATOM 0 HE3 TRP A 16 -4.335 19.953 0.796 1.00 20.31 H new ATOM 0 HZ2 TRP A 16 -7.904 18.085 3.735 1.00 54.13 H new ATOM 0 HZ3 TRP A 16 -6.579 19.465 -0.091 1.00 40.51 H new ATOM 0 HH2 TRP A 16 -8.342 18.549 1.362 1.00 64.00 H new ATOM 215 N GLU A 17 -2.147 22.072 5.486 1.00 30.11 N ATOM 216 CA GLU A 17 -2.624 22.616 6.752 1.00 32.21 C ATOM 217 C GLU A 17 -2.856 24.120 6.645 1.00 54.22 C ATOM 218 O GLU A 17 -3.569 24.710 7.457 1.00 32.24 O ATOM 219 CB GLU A 17 -1.621 22.322 7.869 1.00 31.15 C ATOM 220 CG GLU A 17 -1.811 20.959 8.515 1.00 45.34 C ATOM 221 CD GLU A 17 -1.324 20.921 9.950 1.00 34.04 C ATOM 222 OE1 GLU A 17 -2.117 21.256 10.855 1.00 50.51 O ATOM 223 OE2 GLU A 17 -0.150 20.555 10.169 1.00 35.20 O ATOM 0 H GLU A 17 -1.207 21.679 5.523 1.00 30.11 H new ATOM 0 HA GLU A 17 -3.573 22.135 6.990 1.00 32.21 H new ATOM 0 HB2 GLU A 17 -0.611 22.385 7.465 1.00 31.15 H new ATOM 0 HB3 GLU A 17 -1.707 23.093 8.635 1.00 31.15 H new ATOM 0 HG2 GLU A 17 -2.867 20.692 8.487 1.00 45.34 H new ATOM 0 HG3 GLU A 17 -1.276 20.208 7.934 1.00 45.34 H new ATOM 230 N LYS A 18 -2.249 24.736 5.636 1.00 1.24 N ATOM 231 CA LYS A 18 -2.388 26.171 5.420 1.00 13.43 C ATOM 232 C LYS A 18 -3.794 26.515 4.937 1.00 64.35 C ATOM 233 O LYS A 18 -4.550 27.195 5.630 1.00 3.43 O ATOM 234 CB LYS A 18 -1.354 26.658 4.402 1.00 31.44 C ATOM 235 CG LYS A 18 -0.961 28.114 4.583 1.00 71.43 C ATOM 236 CD LYS A 18 -1.365 28.953 3.382 1.00 15.04 C ATOM 237 CE LYS A 18 -0.440 28.715 2.199 1.00 75.03 C ATOM 238 NZ LYS A 18 0.352 29.930 1.861 1.00 25.54 N ATOM 0 H LYS A 18 -1.656 24.263 4.954 1.00 1.24 H new ATOM 0 HA LYS A 18 -2.216 26.674 6.372 1.00 13.43 H new ATOM 0 HB2 LYS A 18 -0.461 26.037 4.478 1.00 31.44 H new ATOM 0 HB3 LYS A 18 -1.753 26.520 3.397 1.00 31.44 H new ATOM 0 HG2 LYS A 18 -1.434 28.511 5.481 1.00 71.43 H new ATOM 0 HG3 LYS A 18 0.116 28.185 4.732 1.00 71.43 H new ATOM 0 HD2 LYS A 18 -2.390 28.714 3.098 1.00 15.04 H new ATOM 0 HD3 LYS A 18 -1.348 30.009 3.652 1.00 15.04 H new ATOM 0 HE2 LYS A 18 0.237 27.892 2.427 1.00 75.03 H new ATOM 0 HE3 LYS A 18 -1.029 28.413 1.333 1.00 75.03 H new ATOM 0 HZ1 LYS A 18 0.970 29.727 1.050 1.00 25.54 H new ATOM 0 HZ2 LYS A 18 -0.293 30.709 1.618 1.00 25.54 H new ATOM 0 HZ3 LYS A 18 0.933 30.204 2.679 1.00 25.54 H new ATOM 252 N ILE A 19 -4.137 26.039 3.744 1.00 22.34 N ATOM 253 CA ILE A 19 -5.452 26.294 3.170 1.00 31.44 C ATOM 254 C ILE A 19 -6.554 26.068 4.200 1.00 73.12 C ATOM 255 O ILE A 19 -6.443 25.197 5.062 1.00 31.43 O ATOM 256 CB ILE A 19 -5.716 25.396 1.947 1.00 11.01 C ATOM 257 CG1 ILE A 19 -4.594 25.555 0.919 1.00 30.21 C ATOM 258 CG2 ILE A 19 -7.063 25.731 1.325 1.00 53.51 C ATOM 259 CD1 ILE A 19 -3.947 24.246 0.524 1.00 23.12 C ATOM 0 H ILE A 19 -3.522 25.475 3.157 1.00 22.34 H new ATOM 0 HA ILE A 19 -5.462 27.337 2.853 1.00 31.44 H new ATOM 0 HB ILE A 19 -5.738 24.357 2.275 1.00 11.01 H new ATOM 0 HG12 ILE A 19 -4.995 26.037 0.027 1.00 30.21 H new ATOM 0 HG13 ILE A 19 -3.832 26.220 1.325 1.00 30.21 H new ATOM 0 HG21 ILE A 19 -7.235 25.088 0.462 1.00 53.51 H new ATOM 0 HG22 ILE A 19 -7.853 25.572 2.059 1.00 53.51 H new ATOM 0 HG23 ILE A 19 -7.068 26.774 1.007 1.00 53.51 H new ATOM 0 HD11 ILE A 19 -3.161 24.435 -0.207 1.00 23.12 H new ATOM 0 HD12 ILE A 19 -3.516 23.772 1.406 1.00 23.12 H new ATOM 0 HD13 ILE A 19 -4.697 23.586 0.088 1.00 23.12 H new ATOM 271 N ARG A 20 -7.619 26.858 4.102 1.00 64.22 N ATOM 272 CA ARG A 20 -8.742 26.744 5.024 1.00 30.10 C ATOM 273 C ARG A 20 -10.021 26.373 4.279 1.00 33.05 C ATOM 274 O ARG A 20 -10.129 26.576 3.069 1.00 12.13 O ATOM 275 CB ARG A 20 -8.943 28.058 5.781 1.00 22.35 C ATOM 276 CG ARG A 20 -7.742 28.468 6.617 1.00 3.54 C ATOM 277 CD ARG A 20 -7.495 29.967 6.540 1.00 51.04 C ATOM 278 NE ARG A 20 -7.368 30.570 7.864 1.00 53.35 N ATOM 279 CZ ARG A 20 -6.277 30.471 8.615 1.00 53.52 C ATOM 280 NH1 ARG A 20 -5.224 29.797 8.175 1.00 50.15 N ATOM 281 NH2 ARG A 20 -6.238 31.048 9.809 1.00 11.41 N ATOM 0 H ARG A 20 -7.727 27.584 3.393 1.00 64.22 H new ATOM 0 HA ARG A 20 -8.515 25.952 5.738 1.00 30.10 H new ATOM 0 HB2 ARG A 20 -9.164 28.850 5.065 1.00 22.35 H new ATOM 0 HB3 ARG A 20 -9.813 27.964 6.431 1.00 22.35 H new ATOM 0 HG2 ARG A 20 -7.904 28.178 7.655 1.00 3.54 H new ATOM 0 HG3 ARG A 20 -6.857 27.934 6.271 1.00 3.54 H new ATOM 0 HD2 ARG A 20 -6.587 30.156 5.967 1.00 51.04 H new ATOM 0 HD3 ARG A 20 -8.315 30.442 6.002 1.00 51.04 H new ATOM 0 HE ARG A 20 -8.161 31.096 8.232 1.00 53.35 H new ATOM 0 HH11 ARG A 20 -5.250 29.353 7.257 1.00 50.15 H new ATOM 0 HH12 ARG A 20 -4.388 29.723 8.754 1.00 50.15 H new ATOM 0 HH21 ARG A 20 -7.046 31.568 10.151 1.00 11.41 H new ATOM 0 HH22 ARG A 20 -5.400 30.972 10.385 1.00 11.41 H new ATOM 295 N LEU A 21 -10.988 25.828 5.010 1.00 63.01 N ATOM 296 CA LEU A 21 -12.260 25.428 4.419 1.00 32.11 C ATOM 297 C LEU A 21 -13.003 26.635 3.856 1.00 2.41 C ATOM 298 O LEU A 21 -13.633 26.553 2.802 1.00 63.14 O ATOM 299 CB LEU A 21 -13.129 24.721 5.461 1.00 22.20 C ATOM 300 CG LEU A 21 -12.509 23.494 6.131 1.00 42.02 C ATOM 301 CD1 LEU A 21 -13.389 23.007 7.271 1.00 21.33 C ATOM 302 CD2 LEU A 21 -12.289 22.385 5.113 1.00 60.42 C ATOM 0 H LEU A 21 -10.915 25.653 6.012 1.00 63.01 H new ATOM 0 HA LEU A 21 -12.051 24.739 3.601 1.00 32.11 H new ATOM 0 HB2 LEU A 21 -13.389 25.441 6.237 1.00 22.20 H new ATOM 0 HB3 LEU A 21 -14.060 24.417 4.983 1.00 22.20 H new ATOM 0 HG LEU A 21 -11.541 23.779 6.543 1.00 42.02 H new ATOM 0 HD11 LEU A 21 -12.932 22.133 7.736 1.00 21.33 H new ATOM 0 HD12 LEU A 21 -13.495 23.799 8.013 1.00 21.33 H new ATOM 0 HD13 LEU A 21 -14.372 22.739 6.883 1.00 21.33 H new ATOM 0 HD21 LEU A 21 -11.847 21.520 5.607 1.00 60.42 H new ATOM 0 HD22 LEU A 21 -13.244 22.102 4.671 1.00 60.42 H new ATOM 0 HD23 LEU A 21 -11.618 22.738 4.330 1.00 60.42 H new ATOM 314 N ARG A 22 -12.923 27.756 4.565 1.00 5.45 N ATOM 315 CA ARG A 22 -13.586 28.981 4.136 1.00 11.40 C ATOM 316 C ARG A 22 -12.577 30.111 3.953 1.00 42.11 C ATOM 317 O ARG A 22 -11.502 30.120 4.554 1.00 71.24 O ATOM 318 CB ARG A 22 -14.650 29.394 5.154 1.00 14.15 C ATOM 319 CG ARG A 22 -15.986 28.697 4.956 1.00 54.24 C ATOM 320 CD ARG A 22 -17.053 29.666 4.470 1.00 33.00 C ATOM 321 NE ARG A 22 -18.397 29.109 4.598 1.00 13.32 N ATOM 322 CZ ARG A 22 -19.506 29.830 4.472 1.00 33.33 C ATOM 323 NH1 ARG A 22 -19.432 31.128 4.216 1.00 44.31 N ATOM 324 NH2 ARG A 22 -20.693 29.251 4.603 1.00 72.15 N ATOM 0 H ARG A 22 -12.405 27.841 5.440 1.00 5.45 H new ATOM 0 HA ARG A 22 -14.066 28.787 3.177 1.00 11.40 H new ATOM 0 HB2 ARG A 22 -14.283 29.179 6.158 1.00 14.15 H new ATOM 0 HB3 ARG A 22 -14.800 30.472 5.093 1.00 14.15 H new ATOM 0 HG2 ARG A 22 -15.872 27.888 4.235 1.00 54.24 H new ATOM 0 HG3 ARG A 22 -16.304 28.245 5.895 1.00 54.24 H new ATOM 0 HD2 ARG A 22 -16.989 30.592 5.041 1.00 33.00 H new ATOM 0 HD3 ARG A 22 -16.864 29.920 3.427 1.00 33.00 H new ATOM 0 HE ARG A 22 -18.489 28.112 4.795 1.00 13.32 H new ATOM 0 HH11 ARG A 22 -18.522 31.577 4.115 1.00 44.31 H new ATOM 0 HH12 ARG A 22 -20.285 31.678 4.120 1.00 44.31 H new ATOM 0 HH21 ARG A 22 -20.754 28.252 4.801 1.00 72.15 H new ATOM 0 HH22 ARG A 22 -21.544 29.805 4.506 1.00 72.15 H new ATOM 338 N PRO A 23 -12.929 31.087 3.103 1.00 4.41 N ATOM 339 CA PRO A 23 -12.068 32.240 2.821 1.00 25.31 C ATOM 340 C PRO A 23 -11.954 33.184 4.013 1.00 10.00 C ATOM 341 O PRO A 23 -10.870 33.670 4.331 1.00 4.12 O ATOM 342 CB PRO A 23 -12.775 32.934 1.654 1.00 23.24 C ATOM 343 CG PRO A 23 -14.204 32.535 1.786 1.00 21.33 C ATOM 344 CD PRO A 23 -14.194 31.142 2.353 1.00 73.35 C ATOM 0 HA PRO A 23 -11.044 31.939 2.599 1.00 25.31 H new ATOM 0 HB2 PRO A 23 -12.660 34.016 1.708 1.00 23.24 H new ATOM 0 HB3 PRO A 23 -12.362 32.617 0.696 1.00 23.24 H new ATOM 0 HG2 PRO A 23 -14.741 33.220 2.442 1.00 21.33 H new ATOM 0 HG3 PRO A 23 -14.707 32.559 0.819 1.00 21.33 H new ATOM 0 HD2 PRO A 23 -15.053 30.966 3.001 1.00 73.35 H new ATOM 0 HD3 PRO A 23 -14.228 30.388 1.567 1.00 73.35 H new ATOM 352 N GLY A 24 -13.082 33.439 4.670 1.00 43.44 N ATOM 353 CA GLY A 24 -13.086 34.325 5.820 1.00 74.44 C ATOM 354 C GLY A 24 -13.269 33.577 7.126 1.00 44.43 C ATOM 355 O GLY A 24 -13.835 34.109 8.079 1.00 14.24 O ATOM 0 H GLY A 24 -13.992 33.048 4.427 1.00 43.44 H new ATOM 0 HA2 GLY A 24 -12.148 34.880 5.851 1.00 74.44 H new ATOM 0 HA3 GLY A 24 -13.886 35.057 5.709 1.00 74.44 H new ATOM 359 N GLY A 25 -12.788 32.338 7.169 1.00 1.42 N ATOM 360 CA GLY A 25 -12.912 31.536 8.372 1.00 13.32 C ATOM 361 C GLY A 25 -11.597 31.392 9.111 1.00 21.14 C ATOM 362 O GLY A 25 -10.580 31.950 8.700 1.00 42.43 O ATOM 0 H GLY A 25 -12.315 31.876 6.392 1.00 1.42 H new ATOM 0 HA2 GLY A 25 -13.649 31.991 9.034 1.00 13.32 H new ATOM 0 HA3 GLY A 25 -13.287 30.547 8.109 1.00 13.32 H new ATOM 366 N LYS A 26 -11.615 30.641 10.208 1.00 54.53 N ATOM 367 CA LYS A 26 -10.416 30.425 11.008 1.00 63.24 C ATOM 368 C LYS A 26 -10.056 28.943 11.059 1.00 14.32 C ATOM 369 O LYS A 26 -9.030 28.562 11.623 1.00 74.21 O ATOM 370 CB LYS A 26 -10.620 30.961 12.426 1.00 31.34 C ATOM 371 CG LYS A 26 -10.964 32.439 12.474 1.00 1.45 C ATOM 372 CD LYS A 26 -10.451 33.090 13.748 1.00 31.03 C ATOM 373 CE LYS A 26 -11.448 32.946 14.888 1.00 21.41 C ATOM 374 NZ LYS A 26 -10.914 32.095 15.988 1.00 43.14 N ATOM 0 H LYS A 26 -12.448 30.172 10.563 1.00 54.53 H new ATOM 0 HA LYS A 26 -9.594 30.965 10.538 1.00 63.24 H new ATOM 0 HB2 LYS A 26 -11.417 30.395 12.908 1.00 31.34 H new ATOM 0 HB3 LYS A 26 -9.712 30.789 13.004 1.00 31.34 H new ATOM 0 HG2 LYS A 26 -10.533 32.942 11.608 1.00 1.45 H new ATOM 0 HG3 LYS A 26 -12.045 32.564 12.410 1.00 1.45 H new ATOM 0 HD2 LYS A 26 -9.502 32.636 14.033 1.00 31.03 H new ATOM 0 HD3 LYS A 26 -10.256 34.147 13.565 1.00 31.03 H new ATOM 0 HE2 LYS A 26 -11.697 33.932 15.280 1.00 21.41 H new ATOM 0 HE3 LYS A 26 -12.373 32.511 14.509 1.00 21.41 H new ATOM 0 HZ1 LYS A 26 -11.623 32.021 16.745 1.00 43.14 H new ATOM 0 HZ2 LYS A 26 -10.700 31.146 15.620 1.00 43.14 H new ATOM 0 HZ3 LYS A 26 -10.045 32.523 16.367 1.00 43.14 H new ATOM 388 N LYS A 27 -10.907 28.112 10.466 1.00 4.03 N ATOM 389 CA LYS A 27 -10.678 26.672 10.442 1.00 51.22 C ATOM 390 C LYS A 27 -9.833 26.276 9.235 1.00 33.22 C ATOM 391 O LYS A 27 -10.271 26.403 8.092 1.00 21.30 O ATOM 392 CB LYS A 27 -12.013 25.924 10.411 1.00 24.34 C ATOM 393 CG LYS A 27 -11.933 24.515 10.973 1.00 23.23 C ATOM 394 CD LYS A 27 -13.033 23.628 10.414 1.00 43.20 C ATOM 395 CE LYS A 27 -13.777 22.897 11.521 1.00 4.43 C ATOM 396 NZ LYS A 27 -13.970 21.456 11.202 1.00 71.13 N ATOM 0 H LYS A 27 -11.761 28.411 9.996 1.00 4.03 H new ATOM 0 HA LYS A 27 -10.136 26.399 11.348 1.00 51.22 H new ATOM 0 HB2 LYS A 27 -12.751 26.491 10.978 1.00 24.34 H new ATOM 0 HB3 LYS A 27 -12.370 25.876 9.382 1.00 24.34 H new ATOM 0 HG2 LYS A 27 -10.961 24.083 10.737 1.00 23.23 H new ATOM 0 HG3 LYS A 27 -12.010 24.551 12.060 1.00 23.23 H new ATOM 0 HD2 LYS A 27 -13.735 24.234 9.841 1.00 43.20 H new ATOM 0 HD3 LYS A 27 -12.602 22.903 9.724 1.00 43.20 H new ATOM 0 HE2 LYS A 27 -13.222 22.991 12.455 1.00 4.43 H new ATOM 0 HE3 LYS A 27 -14.748 23.367 11.678 1.00 4.43 H new ATOM 0 HZ1 LYS A 27 -14.767 21.081 11.756 1.00 71.13 H new ATOM 0 HZ2 LYS A 27 -14.173 21.349 10.188 1.00 71.13 H new ATOM 0 HZ3 LYS A 27 -13.105 20.929 11.439 1.00 71.13 H new ATOM 410 N GLN A 28 -8.623 25.795 9.499 1.00 63.45 N ATOM 411 CA GLN A 28 -7.718 25.379 8.433 1.00 0.12 C ATOM 412 C GLN A 28 -7.960 23.923 8.051 1.00 60.34 C ATOM 413 O GLN A 28 -8.771 23.234 8.670 1.00 10.23 O ATOM 414 CB GLN A 28 -6.264 25.570 8.867 1.00 64.00 C ATOM 415 CG GLN A 28 -6.010 26.887 9.582 1.00 1.13 C ATOM 416 CD GLN A 28 -5.717 26.703 11.058 1.00 35.23 C ATOM 417 OE1 GLN A 28 -6.268 25.812 11.705 1.00 31.55 O ATOM 418 NE2 GLN A 28 -4.847 27.547 11.599 1.00 24.45 N ATOM 0 H GLN A 28 -8.246 25.684 10.440 1.00 63.45 H new ATOM 0 HA GLN A 28 -7.914 26.002 7.560 1.00 0.12 H new ATOM 0 HB2 GLN A 28 -5.979 24.749 9.524 1.00 64.00 H new ATOM 0 HB3 GLN A 28 -5.621 25.513 7.989 1.00 64.00 H new ATOM 0 HG2 GLN A 28 -5.170 27.396 9.110 1.00 1.13 H new ATOM 0 HG3 GLN A 28 -6.880 27.533 9.466 1.00 1.13 H new ATOM 0 HE21 GLN A 28 -4.414 28.271 11.025 1.00 24.45 H new ATOM 0 HE22 GLN A 28 -4.611 27.472 12.589 1.00 24.45 H new ATOM 427 N TYR A 29 -7.252 23.460 7.026 1.00 0.03 N ATOM 428 CA TYR A 29 -7.392 22.086 6.559 1.00 21.12 C ATOM 429 C TYR A 29 -6.562 21.133 7.413 1.00 23.25 C ATOM 430 O TYR A 29 -5.469 21.476 7.866 1.00 15.52 O ATOM 431 CB TYR A 29 -6.966 21.977 5.094 1.00 54.40 C ATOM 432 CG TYR A 29 -8.126 21.997 4.124 1.00 61.13 C ATOM 433 CD1 TYR A 29 -8.985 20.910 4.016 1.00 13.30 C ATOM 434 CD2 TYR A 29 -8.361 23.101 3.314 1.00 15.10 C ATOM 435 CE1 TYR A 29 -10.046 20.923 3.130 1.00 4.35 C ATOM 436 CE2 TYR A 29 -9.420 23.123 2.427 1.00 51.42 C ATOM 437 CZ TYR A 29 -10.259 22.032 2.339 1.00 51.25 C ATOM 438 OH TYR A 29 -11.314 22.050 1.455 1.00 61.11 O ATOM 0 H TYR A 29 -6.576 24.016 6.503 1.00 0.03 H new ATOM 0 HA TYR A 29 -8.441 21.805 6.648 1.00 21.12 H new ATOM 0 HB2 TYR A 29 -6.292 22.800 4.858 1.00 54.40 H new ATOM 0 HB3 TYR A 29 -6.403 21.054 4.956 1.00 54.40 H new ATOM 0 HD1 TYR A 29 -8.821 20.040 4.635 1.00 13.30 H new ATOM 0 HD2 TYR A 29 -7.705 23.956 3.379 1.00 15.10 H new ATOM 0 HE1 TYR A 29 -10.704 20.070 3.058 1.00 4.35 H new ATOM 0 HE2 TYR A 29 -9.590 23.990 1.806 1.00 51.42 H new ATOM 0 HH TYR A 29 -11.616 22.973 1.325 1.00 61.11 H new ATOM 448 N LYS A 30 -7.088 19.932 7.630 1.00 63.03 N ATOM 449 CA LYS A 30 -6.397 18.926 8.427 1.00 22.15 C ATOM 450 C LYS A 30 -6.570 17.537 7.820 1.00 3.34 C ATOM 451 O LYS A 30 -7.369 17.345 6.903 1.00 21.41 O ATOM 452 CB LYS A 30 -6.923 18.935 9.864 1.00 33.04 C ATOM 453 CG LYS A 30 -5.866 19.286 10.897 1.00 14.42 C ATOM 454 CD LYS A 30 -6.151 18.623 12.234 1.00 12.13 C ATOM 455 CE LYS A 30 -7.129 19.440 13.065 1.00 41.32 C ATOM 456 NZ LYS A 30 -8.415 18.720 13.275 1.00 53.02 N ATOM 0 H LYS A 30 -7.992 19.632 7.264 1.00 63.03 H new ATOM 0 HA LYS A 30 -5.335 19.171 8.433 1.00 22.15 H new ATOM 0 HB2 LYS A 30 -7.742 19.650 9.938 1.00 33.04 H new ATOM 0 HB3 LYS A 30 -7.335 17.953 10.097 1.00 33.04 H new ATOM 0 HG2 LYS A 30 -4.886 18.974 10.537 1.00 14.42 H new ATOM 0 HG3 LYS A 30 -5.828 20.368 11.027 1.00 14.42 H new ATOM 0 HD2 LYS A 30 -6.558 17.626 12.067 1.00 12.13 H new ATOM 0 HD3 LYS A 30 -5.219 18.498 12.785 1.00 12.13 H new ATOM 0 HE2 LYS A 30 -6.680 19.671 14.031 1.00 41.32 H new ATOM 0 HE3 LYS A 30 -7.322 20.391 12.568 1.00 41.32 H new ATOM 0 HZ1 LYS A 30 -9.054 19.310 13.845 1.00 53.02 H new ATOM 0 HZ2 LYS A 30 -8.856 18.522 12.354 1.00 53.02 H new ATOM 0 HZ3 LYS A 30 -8.234 17.825 13.772 1.00 53.02 H new ATOM 470 N LEU A 31 -5.817 16.573 8.338 1.00 34.51 N ATOM 471 CA LEU A 31 -5.889 15.200 7.848 1.00 43.41 C ATOM 472 C LEU A 31 -7.333 14.710 7.809 1.00 4.24 C ATOM 473 O LEU A 31 -7.730 13.985 6.897 1.00 25.32 O ATOM 474 CB LEU A 31 -5.048 14.278 8.732 1.00 33.33 C ATOM 475 CG LEU A 31 -3.536 14.331 8.512 1.00 71.34 C ATOM 476 CD1 LEU A 31 -2.805 14.425 9.842 1.00 35.21 C ATOM 477 CD2 LEU A 31 -3.068 13.112 7.729 1.00 13.31 C ATOM 0 H LEU A 31 -5.150 16.716 9.096 1.00 34.51 H new ATOM 0 HA LEU A 31 -5.492 15.181 6.833 1.00 43.41 H new ATOM 0 HB2 LEU A 31 -5.252 14.522 9.774 1.00 33.33 H new ATOM 0 HB3 LEU A 31 -5.382 13.253 8.574 1.00 33.33 H new ATOM 0 HG LEU A 31 -3.304 15.223 7.930 1.00 71.34 H new ATOM 0 HD11 LEU A 31 -1.730 14.462 9.665 1.00 35.21 H new ATOM 0 HD12 LEU A 31 -3.117 15.328 10.366 1.00 35.21 H new ATOM 0 HD13 LEU A 31 -3.043 13.552 10.450 1.00 35.21 H new ATOM 0 HD21 LEU A 31 -1.989 13.166 7.582 1.00 13.31 H new ATOM 0 HD22 LEU A 31 -3.313 12.207 8.284 1.00 13.31 H new ATOM 0 HD23 LEU A 31 -3.566 13.089 6.760 1.00 13.31 H new ATOM 489 N LYS A 32 -8.115 15.113 8.805 1.00 73.23 N ATOM 490 CA LYS A 32 -9.517 14.718 8.884 1.00 2.32 C ATOM 491 C LYS A 32 -10.214 14.913 7.541 1.00 23.34 C ATOM 492 O LYS A 32 -10.846 13.993 7.020 1.00 41.51 O ATOM 493 CB LYS A 32 -10.235 15.528 9.966 1.00 54.23 C ATOM 494 CG LYS A 32 -10.692 14.692 11.149 1.00 54.43 C ATOM 495 CD LYS A 32 -9.599 14.563 12.196 1.00 62.03 C ATOM 496 CE LYS A 32 -8.780 13.297 11.993 1.00 11.21 C ATOM 497 NZ LYS A 32 -7.320 13.553 12.131 1.00 4.24 N ATOM 0 H LYS A 32 -7.802 15.713 9.568 1.00 73.23 H new ATOM 0 HA LYS A 32 -9.557 13.660 9.143 1.00 2.32 H new ATOM 0 HB2 LYS A 32 -9.568 16.313 10.323 1.00 54.23 H new ATOM 0 HB3 LYS A 32 -11.101 16.021 9.524 1.00 54.23 H new ATOM 0 HG2 LYS A 32 -11.575 15.147 11.598 1.00 54.43 H new ATOM 0 HG3 LYS A 32 -10.985 13.701 10.804 1.00 54.43 H new ATOM 0 HD2 LYS A 32 -8.944 15.433 12.149 1.00 62.03 H new ATOM 0 HD3 LYS A 32 -10.045 14.553 13.190 1.00 62.03 H new ATOM 0 HE2 LYS A 32 -9.087 12.545 12.720 1.00 11.21 H new ATOM 0 HE3 LYS A 32 -8.985 12.887 11.004 1.00 11.21 H new ATOM 0 HZ1 LYS A 32 -6.797 12.666 11.986 1.00 4.24 H new ATOM 0 HZ2 LYS A 32 -7.021 14.251 11.421 1.00 4.24 H new ATOM 0 HZ3 LYS A 32 -7.120 13.921 13.083 1.00 4.24 H new ATOM 511 N HIS A 33 -10.093 16.114 6.986 1.00 51.15 N ATOM 512 CA HIS A 33 -10.710 16.429 5.701 1.00 31.33 C ATOM 513 C HIS A 33 -10.201 15.490 4.611 1.00 42.42 C ATOM 514 O HIS A 33 -10.982 15.200 3.704 1.00 13.54 O ATOM 515 CB HIS A 33 -10.423 17.880 5.315 1.00 15.22 C ATOM 516 CG HIS A 33 -10.749 18.863 6.398 1.00 55.12 C ATOM 517 ND1 HIS A 33 -9.848 19.796 6.864 1.00 41.45 N ATOM 518 CD2 HIS A 33 -11.887 19.055 7.106 1.00 4.12 C ATOM 519 CE1 HIS A 33 -10.416 20.519 7.812 1.00 13.20 C ATOM 520 NE2 HIS A 33 -11.654 20.090 7.978 1.00 74.42 N ATOM 0 H HIS A 33 -9.574 16.886 7.405 1.00 51.15 H new ATOM 0 HA HIS A 33 -11.787 16.294 5.800 1.00 31.33 H new ATOM 0 HB2 HIS A 33 -9.369 17.976 5.053 1.00 15.22 H new ATOM 0 HB3 HIS A 33 -10.997 18.131 4.423 1.00 15.22 H new ATOM 0 HD2 HIS A 33 -12.807 18.498 7.004 1.00 4.12 H new ATOM 0 HE1 HIS A 33 -9.948 21.324 8.359 1.00 13.20 H new ATOM 0 HE2 HIS A 33 -12.327 20.466 8.645 1.00 74.42 H new ATOM 528 N ILE A 34 -8.958 15.025 4.671 1.00 4.43 N ATOM 529 CA ILE A 34 -8.428 14.126 3.653 1.00 14.34 C ATOM 530 C ILE A 34 -9.010 12.724 3.802 1.00 2.51 C ATOM 531 O ILE A 34 -9.793 12.274 2.966 1.00 34.35 O ATOM 532 CB ILE A 34 -6.892 14.042 3.720 1.00 10.51 C ATOM 533 CG1 ILE A 34 -6.286 15.445 3.792 1.00 4.32 C ATOM 534 CG2 ILE A 34 -6.350 13.286 2.516 1.00 11.52 C ATOM 535 CD1 ILE A 34 -4.793 15.447 4.041 1.00 74.54 C ATOM 0 H ILE A 34 -8.299 15.256 5.414 1.00 4.43 H new ATOM 0 HA ILE A 34 -8.719 14.537 2.686 1.00 14.34 H new ATOM 0 HB ILE A 34 -6.611 13.498 4.622 1.00 10.51 H new ATOM 0 HG12 ILE A 34 -6.491 15.969 2.858 1.00 4.32 H new ATOM 0 HG13 ILE A 34 -6.779 16.005 4.587 1.00 4.32 H new ATOM 0 HG21 ILE A 34 -5.263 13.235 2.578 1.00 11.52 H new ATOM 0 HG22 ILE A 34 -6.761 12.276 2.505 1.00 11.52 H new ATOM 0 HG23 ILE A 34 -6.638 13.804 1.601 1.00 11.52 H new ATOM 0 HD11 ILE A 34 -4.432 16.475 4.080 1.00 74.54 H new ATOM 0 HD12 ILE A 34 -4.582 14.952 4.989 1.00 74.54 H new ATOM 0 HD13 ILE A 34 -4.289 14.916 3.234 1.00 74.54 H new ATOM 547 N VAL A 35 -8.622 12.039 4.873 1.00 1.42 N ATOM 548 CA VAL A 35 -9.107 10.689 5.134 1.00 3.31 C ATOM 549 C VAL A 35 -10.619 10.605 4.959 1.00 62.12 C ATOM 550 O VAL A 35 -11.146 9.584 4.518 1.00 55.04 O ATOM 551 CB VAL A 35 -8.739 10.226 6.556 1.00 31.02 C ATOM 552 CG1 VAL A 35 -9.304 8.840 6.829 1.00 13.54 C ATOM 553 CG2 VAL A 35 -7.230 10.243 6.748 1.00 31.42 C ATOM 0 H VAL A 35 -7.973 12.397 5.574 1.00 1.42 H new ATOM 0 HA VAL A 35 -8.624 10.033 4.410 1.00 3.31 H new ATOM 0 HB VAL A 35 -9.181 10.920 7.271 1.00 31.02 H new ATOM 0 HG11 VAL A 35 -9.034 8.529 7.838 1.00 13.54 H new ATOM 0 HG12 VAL A 35 -10.390 8.865 6.735 1.00 13.54 H new ATOM 0 HG13 VAL A 35 -8.894 8.132 6.109 1.00 13.54 H new ATOM 0 HG21 VAL A 35 -6.988 9.913 7.758 1.00 31.42 H new ATOM 0 HG22 VAL A 35 -6.764 9.573 6.026 1.00 31.42 H new ATOM 0 HG23 VAL A 35 -6.855 11.256 6.598 1.00 31.42 H new ATOM 563 N TRP A 36 -11.310 11.684 5.307 1.00 41.24 N ATOM 564 CA TRP A 36 -12.763 11.732 5.187 1.00 2.42 C ATOM 565 C TRP A 36 -13.202 11.421 3.761 1.00 74.21 C ATOM 566 O TRP A 36 -13.962 10.481 3.527 1.00 11.42 O ATOM 567 CB TRP A 36 -13.284 13.108 5.606 1.00 51.24 C ATOM 568 CG TRP A 36 -14.767 13.255 5.446 1.00 11.14 C ATOM 569 CD1 TRP A 36 -15.725 12.951 6.371 1.00 2.03 C ATOM 570 CD2 TRP A 36 -15.461 13.741 4.292 1.00 30.11 C ATOM 571 NE1 TRP A 36 -16.972 13.219 5.861 1.00 35.54 N ATOM 572 CE2 TRP A 36 -16.838 13.705 4.588 1.00 62.20 C ATOM 573 CE3 TRP A 36 -15.054 14.205 3.039 1.00 64.14 C ATOM 574 CZ2 TRP A 36 -17.806 14.114 3.675 1.00 70.22 C ATOM 575 CZ3 TRP A 36 -16.016 14.610 2.133 1.00 2.13 C ATOM 576 CH2 TRP A 36 -17.379 14.563 2.455 1.00 42.30 C ATOM 0 H TRP A 36 -10.888 12.537 5.674 1.00 41.24 H new ATOM 0 HA TRP A 36 -13.183 10.975 5.849 1.00 2.42 H new ATOM 0 HB2 TRP A 36 -13.019 13.287 6.648 1.00 51.24 H new ATOM 0 HB3 TRP A 36 -12.784 13.874 5.013 1.00 51.24 H new ATOM 0 HD1 TRP A 36 -15.531 12.558 7.358 1.00 2.03 H new ATOM 0 HE1 TRP A 36 -17.855 13.079 6.351 1.00 35.54 H new ATOM 0 HE3 TRP A 36 -14.006 14.247 2.783 1.00 64.14 H new ATOM 0 HZ2 TRP A 36 -18.857 14.078 3.921 1.00 70.22 H new ATOM 0 HZ3 TRP A 36 -15.712 14.969 1.161 1.00 2.13 H new ATOM 0 HH2 TRP A 36 -18.107 14.888 1.726 1.00 42.30 H new ATOM 587 N ALA A 37 -12.720 12.215 2.811 1.00 63.23 N ATOM 588 CA ALA A 37 -13.062 12.021 1.407 1.00 44.30 C ATOM 589 C ALA A 37 -12.785 10.588 0.967 1.00 64.20 C ATOM 590 O ALA A 37 -13.511 10.029 0.145 1.00 41.42 O ATOM 591 CB ALA A 37 -12.290 13.001 0.536 1.00 42.41 C ATOM 0 H ALA A 37 -12.092 12.999 2.988 1.00 63.23 H new ATOM 0 HA ALA A 37 -14.129 12.209 1.289 1.00 44.30 H new ATOM 0 HB1 ALA A 37 -12.555 12.845 -0.510 1.00 42.41 H new ATOM 0 HB2 ALA A 37 -12.541 14.021 0.826 1.00 42.41 H new ATOM 0 HB3 ALA A 37 -11.220 12.840 0.667 1.00 42.41 H new ATOM 597 N SER A 38 -11.729 9.998 1.519 1.00 33.31 N ATOM 598 CA SER A 38 -11.354 8.630 1.180 1.00 43.13 C ATOM 599 C SER A 38 -12.427 7.644 1.630 1.00 13.24 C ATOM 600 O SER A 38 -12.896 6.818 0.847 1.00 45.45 O ATOM 601 CB SER A 38 -10.013 8.272 1.825 1.00 74.15 C ATOM 602 OG SER A 38 -8.932 8.595 0.967 1.00 14.42 O ATOM 0 H SER A 38 -11.118 10.446 2.202 1.00 33.31 H new ATOM 0 HA SER A 38 -11.257 8.564 0.096 1.00 43.13 H new ATOM 0 HB2 SER A 38 -9.905 8.807 2.768 1.00 74.15 H new ATOM 0 HB3 SER A 38 -9.991 7.207 2.058 1.00 74.15 H new ATOM 0 HG SER A 38 -8.087 8.358 1.403 1.00 14.42 H new ATOM 608 N ARG A 39 -12.812 7.737 2.899 1.00 54.51 N ATOM 609 CA ARG A 39 -13.830 6.854 3.456 1.00 64.34 C ATOM 610 C ARG A 39 -15.119 6.930 2.644 1.00 73.14 C ATOM 611 O ARG A 39 -15.913 5.990 2.634 1.00 55.14 O ATOM 612 CB ARG A 39 -14.110 7.219 4.914 1.00 13.33 C ATOM 613 CG ARG A 39 -13.884 6.071 5.884 1.00 2.33 C ATOM 614 CD ARG A 39 -12.404 5.754 6.036 1.00 13.13 C ATOM 615 NE ARG A 39 -11.941 5.948 7.408 1.00 71.23 N ATOM 616 CZ ARG A 39 -10.756 5.541 7.847 1.00 23.55 C ATOM 617 NH1 ARG A 39 -9.918 4.921 7.028 1.00 70.33 N ATOM 618 NH2 ARG A 39 -10.406 5.754 9.110 1.00 61.54 N ATOM 0 H ARG A 39 -12.434 8.415 3.561 1.00 54.51 H new ATOM 0 HA ARG A 39 -13.453 5.832 3.411 1.00 64.34 H new ATOM 0 HB2 ARG A 39 -13.472 8.055 5.199 1.00 13.33 H new ATOM 0 HB3 ARG A 39 -15.141 7.560 5.002 1.00 13.33 H new ATOM 0 HG2 ARG A 39 -14.304 6.327 6.857 1.00 2.33 H new ATOM 0 HG3 ARG A 39 -14.413 5.185 5.531 1.00 2.33 H new ATOM 0 HD2 ARG A 39 -12.221 4.723 5.734 1.00 13.13 H new ATOM 0 HD3 ARG A 39 -11.826 6.390 5.365 1.00 13.13 H new ATOM 0 HE ARG A 39 -12.562 6.422 8.064 1.00 71.23 H new ATOM 0 HH11 ARG A 39 -10.183 4.755 6.057 1.00 70.33 H new ATOM 0 HH12 ARG A 39 -9.008 4.610 7.369 1.00 70.33 H new ATOM 0 HH21 ARG A 39 -11.048 6.231 9.744 1.00 61.54 H new ATOM 0 HH22 ARG A 39 -9.495 5.441 9.447 1.00 61.54 H new ATOM 632 N GLU A 40 -15.320 8.055 1.965 1.00 2.30 N ATOM 633 CA GLU A 40 -16.514 8.254 1.152 1.00 62.22 C ATOM 634 C GLU A 40 -16.309 7.707 -0.258 1.00 44.32 C ATOM 635 O GLU A 40 -17.212 7.105 -0.841 1.00 2.53 O ATOM 636 CB GLU A 40 -16.873 9.740 1.087 1.00 21.34 C ATOM 637 CG GLU A 40 -18.344 9.999 0.810 1.00 32.15 C ATOM 638 CD GLU A 40 -19.168 10.100 2.080 1.00 61.44 C ATOM 639 OE1 GLU A 40 -18.734 10.804 3.015 1.00 51.22 O ATOM 640 OE2 GLU A 40 -20.247 9.473 2.137 1.00 10.50 O ATOM 0 H GLU A 40 -14.672 8.842 1.962 1.00 2.30 H new ATOM 0 HA GLU A 40 -17.335 7.710 1.619 1.00 62.22 H new ATOM 0 HB2 GLU A 40 -16.601 10.212 2.031 1.00 21.34 H new ATOM 0 HB3 GLU A 40 -16.276 10.216 0.309 1.00 21.34 H new ATOM 0 HG2 GLU A 40 -18.446 10.923 0.241 1.00 32.15 H new ATOM 0 HG3 GLU A 40 -18.740 9.196 0.188 1.00 32.15 H new ATOM 647 N LEU A 41 -15.115 7.922 -0.801 1.00 75.34 N ATOM 648 CA LEU A 41 -14.790 7.452 -2.144 1.00 33.34 C ATOM 649 C LEU A 41 -15.065 5.957 -2.279 1.00 11.42 C ATOM 650 O LEU A 41 -15.614 5.507 -3.283 1.00 74.43 O ATOM 651 CB LEU A 41 -13.324 7.743 -2.466 1.00 3.20 C ATOM 652 CG LEU A 41 -13.007 9.168 -2.921 1.00 40.23 C ATOM 653 CD1 LEU A 41 -11.514 9.332 -3.162 1.00 54.31 C ATOM 654 CD2 LEU A 41 -13.793 9.514 -4.178 1.00 30.24 C ATOM 0 H LEU A 41 -14.357 8.418 -0.333 1.00 75.34 H new ATOM 0 HA LEU A 41 -15.424 7.985 -2.852 1.00 33.34 H new ATOM 0 HB2 LEU A 41 -12.728 7.525 -1.580 1.00 3.20 H new ATOM 0 HB3 LEU A 41 -13.000 7.054 -3.246 1.00 3.20 H new ATOM 0 HG LEU A 41 -13.304 9.856 -2.130 1.00 40.23 H new ATOM 0 HD11 LEU A 41 -11.308 10.352 -3.485 1.00 54.31 H new ATOM 0 HD12 LEU A 41 -10.972 9.127 -2.239 1.00 54.31 H new ATOM 0 HD13 LEU A 41 -11.191 8.634 -3.935 1.00 54.31 H new ATOM 0 HD21 LEU A 41 -13.555 10.532 -4.487 1.00 30.24 H new ATOM 0 HD22 LEU A 41 -13.527 8.821 -4.976 1.00 30.24 H new ATOM 0 HD23 LEU A 41 -14.861 9.438 -3.972 1.00 30.24 H new ATOM 666 N GLU A 42 -14.681 5.196 -1.259 1.00 70.43 N ATOM 667 CA GLU A 42 -14.888 3.752 -1.265 1.00 1.12 C ATOM 668 C GLU A 42 -16.368 3.415 -1.424 1.00 3.21 C ATOM 669 O GLU A 42 -16.723 2.316 -1.849 1.00 65.23 O ATOM 670 CB GLU A 42 -14.348 3.132 0.026 1.00 53.31 C ATOM 671 CG GLU A 42 -13.089 2.306 -0.176 1.00 12.14 C ATOM 672 CD GLU A 42 -13.389 0.873 -0.572 1.00 2.34 C ATOM 673 OE1 GLU A 42 -13.969 0.668 -1.658 1.00 61.25 O ATOM 674 OE2 GLU A 42 -13.044 -0.042 0.205 1.00 42.15 O ATOM 0 H GLU A 42 -14.226 5.554 -0.419 1.00 70.43 H new ATOM 0 HA GLU A 42 -14.345 3.336 -2.114 1.00 1.12 H new ATOM 0 HB2 GLU A 42 -14.140 3.927 0.742 1.00 53.31 H new ATOM 0 HB3 GLU A 42 -15.120 2.501 0.467 1.00 53.31 H new ATOM 0 HG2 GLU A 42 -12.474 2.771 -0.946 1.00 12.14 H new ATOM 0 HG3 GLU A 42 -12.505 2.310 0.744 1.00 12.14 H new ATOM 681 N ARG A 43 -17.226 4.369 -1.079 1.00 11.24 N ATOM 682 CA ARG A 43 -18.667 4.174 -1.181 1.00 72.30 C ATOM 683 C ARG A 43 -19.168 4.544 -2.574 1.00 14.01 C ATOM 684 O ARG A 43 -20.236 4.102 -2.999 1.00 31.02 O ATOM 685 CB ARG A 43 -19.393 5.011 -0.127 1.00 12.52 C ATOM 686 CG ARG A 43 -20.567 4.294 0.519 1.00 73.23 C ATOM 687 CD ARG A 43 -21.844 5.114 0.419 1.00 32.33 C ATOM 688 NE ARG A 43 -22.051 5.949 1.599 1.00 15.11 N ATOM 689 CZ ARG A 43 -22.463 5.477 2.771 1.00 43.22 C ATOM 690 NH1 ARG A 43 -22.709 4.183 2.918 1.00 21.23 N ATOM 691 NH2 ARG A 43 -22.628 6.301 3.798 1.00 21.30 N ATOM 0 H ARG A 43 -16.948 5.285 -0.726 1.00 11.24 H new ATOM 0 HA ARG A 43 -18.879 3.119 -1.005 1.00 72.30 H new ATOM 0 HB2 ARG A 43 -18.683 5.299 0.648 1.00 12.52 H new ATOM 0 HB3 ARG A 43 -19.750 5.931 -0.589 1.00 12.52 H new ATOM 0 HG2 ARG A 43 -20.715 3.328 0.036 1.00 73.23 H new ATOM 0 HG3 ARG A 43 -20.342 4.096 1.567 1.00 73.23 H new ATOM 0 HD2 ARG A 43 -21.801 5.745 -0.469 1.00 32.33 H new ATOM 0 HD3 ARG A 43 -22.696 4.445 0.294 1.00 32.33 H new ATOM 0 HE ARG A 43 -21.869 6.950 1.519 1.00 15.11 H new ATOM 0 HH11 ARG A 43 -22.582 3.547 2.131 1.00 21.23 H new ATOM 0 HH12 ARG A 43 -23.025 3.823 3.819 1.00 21.23 H new ATOM 0 HH21 ARG A 43 -22.439 7.297 3.688 1.00 21.30 H new ATOM 0 HH22 ARG A 43 -22.944 5.938 4.697 1.00 21.30 H new ATOM 705 N PHE A 44 -18.391 5.358 -3.280 1.00 1.32 N ATOM 706 CA PHE A 44 -18.756 5.790 -4.624 1.00 72.51 C ATOM 707 C PHE A 44 -18.068 4.927 -5.678 1.00 5.31 C ATOM 708 O PHE A 44 -17.868 5.357 -6.813 1.00 43.53 O ATOM 709 CB PHE A 44 -18.385 7.260 -4.830 1.00 20.44 C ATOM 710 CG PHE A 44 -19.196 8.206 -3.991 1.00 73.42 C ATOM 711 CD1 PHE A 44 -20.581 8.171 -4.027 1.00 60.22 C ATOM 712 CD2 PHE A 44 -18.574 9.129 -3.167 1.00 13.32 C ATOM 713 CE1 PHE A 44 -21.330 9.041 -3.257 1.00 63.34 C ATOM 714 CE2 PHE A 44 -19.318 10.002 -2.394 1.00 61.43 C ATOM 715 CZ PHE A 44 -20.698 9.956 -2.439 1.00 45.40 C ATOM 0 H PHE A 44 -17.504 5.732 -2.944 1.00 1.32 H new ATOM 0 HA PHE A 44 -19.834 5.677 -4.734 1.00 72.51 H new ATOM 0 HB2 PHE A 44 -17.329 7.396 -4.598 1.00 20.44 H new ATOM 0 HB3 PHE A 44 -18.516 7.516 -5.881 1.00 20.44 H new ATOM 0 HD1 PHE A 44 -21.081 7.456 -4.664 1.00 60.22 H new ATOM 0 HD2 PHE A 44 -17.495 9.168 -3.127 1.00 13.32 H new ATOM 0 HE1 PHE A 44 -22.409 9.005 -3.295 1.00 63.34 H new ATOM 0 HE2 PHE A 44 -18.821 10.718 -1.756 1.00 61.43 H new ATOM 0 HZ PHE A 44 -21.282 10.635 -1.835 1.00 45.40 H new ATOM 725 N ALA A 45 -17.707 3.708 -5.292 1.00 65.22 N ATOM 726 CA ALA A 45 -17.042 2.784 -6.203 1.00 3.11 C ATOM 727 C ALA A 45 -15.677 3.317 -6.627 1.00 14.54 C ATOM 728 O ALA A 45 -15.148 2.937 -7.671 1.00 23.13 O ATOM 729 CB ALA A 45 -17.913 2.528 -7.424 1.00 22.02 C ATOM 0 H ALA A 45 -17.864 3.337 -4.355 1.00 65.22 H new ATOM 0 HA ALA A 45 -16.887 1.842 -5.676 1.00 3.11 H new ATOM 0 HB1 ALA A 45 -17.404 1.836 -8.095 1.00 22.02 H new ATOM 0 HB2 ALA A 45 -18.863 2.095 -7.109 1.00 22.02 H new ATOM 0 HB3 ALA A 45 -18.097 3.469 -7.943 1.00 22.02 H new ATOM 735 N VAL A 46 -15.113 4.202 -5.810 1.00 31.40 N ATOM 736 CA VAL A 46 -13.810 4.787 -6.100 1.00 42.32 C ATOM 737 C VAL A 46 -12.814 4.491 -4.985 1.00 4.12 C ATOM 738 O VAL A 46 -13.147 4.572 -3.803 1.00 71.25 O ATOM 739 CB VAL A 46 -13.910 6.312 -6.293 1.00 0.25 C ATOM 740 CG1 VAL A 46 -12.536 6.909 -6.558 1.00 31.52 C ATOM 741 CG2 VAL A 46 -14.872 6.644 -7.423 1.00 43.15 C ATOM 0 H VAL A 46 -15.539 4.529 -4.943 1.00 31.40 H new ATOM 0 HA VAL A 46 -13.459 4.333 -7.027 1.00 42.32 H new ATOM 0 HB VAL A 46 -14.299 6.752 -5.375 1.00 0.25 H new ATOM 0 HG11 VAL A 46 -12.627 7.987 -6.692 1.00 31.52 H new ATOM 0 HG12 VAL A 46 -11.880 6.702 -5.712 1.00 31.52 H new ATOM 0 HG13 VAL A 46 -12.115 6.466 -7.460 1.00 31.52 H new ATOM 0 HG21 VAL A 46 -14.930 7.726 -7.545 1.00 43.15 H new ATOM 0 HG22 VAL A 46 -14.515 6.193 -8.349 1.00 43.15 H new ATOM 0 HG23 VAL A 46 -15.861 6.252 -7.186 1.00 43.15 H new ATOM 751 N ASN A 47 -11.588 4.148 -5.369 1.00 53.20 N ATOM 752 CA ASN A 47 -10.542 3.840 -4.401 1.00 31.31 C ATOM 753 C ASN A 47 -9.917 5.118 -3.850 1.00 64.50 C ATOM 754 O ASN A 47 -9.702 6.094 -4.569 1.00 75.54 O ATOM 755 CB ASN A 47 -9.463 2.967 -5.046 1.00 11.24 C ATOM 756 CG ASN A 47 -9.667 1.491 -4.762 1.00 53.53 C ATOM 757 OD1 ASN A 47 -10.741 0.943 -5.010 1.00 53.22 O ATOM 758 ND2 ASN A 47 -8.634 0.841 -4.240 1.00 32.02 N ATOM 0 H ASN A 47 -11.295 4.077 -6.343 1.00 53.20 H new ATOM 0 HA ASN A 47 -10.996 3.294 -3.574 1.00 31.31 H new ATOM 0 HB2 ASN A 47 -9.464 3.130 -6.124 1.00 11.24 H new ATOM 0 HB3 ASN A 47 -8.484 3.273 -4.678 1.00 11.24 H new ATOM 0 HD21 ASN A 47 -8.712 -0.154 -4.028 1.00 32.02 H new ATOM 0 HD22 ASN A 47 -7.763 1.336 -4.051 1.00 32.02 H new ATOM 765 N PRO A 48 -9.615 5.113 -2.543 1.00 15.10 N ATOM 766 CA PRO A 48 -9.009 6.264 -1.866 1.00 72.44 C ATOM 767 C PRO A 48 -7.565 6.495 -2.298 1.00 53.34 C ATOM 768 O PRO A 48 -6.955 7.503 -1.944 1.00 53.32 O ATOM 769 CB PRO A 48 -9.069 5.877 -0.387 1.00 30.24 C ATOM 770 CG PRO A 48 -9.094 4.387 -0.385 1.00 50.21 C ATOM 771 CD PRO A 48 -9.843 3.984 -1.625 1.00 52.41 C ATOM 0 HA PRO A 48 -9.528 7.194 -2.099 1.00 72.44 H new ATOM 0 HB2 PRO A 48 -8.205 6.259 0.157 1.00 30.24 H new ATOM 0 HB3 PRO A 48 -9.956 6.288 0.094 1.00 30.24 H new ATOM 0 HG2 PRO A 48 -8.083 3.980 -0.390 1.00 50.21 H new ATOM 0 HG3 PRO A 48 -9.587 4.006 0.510 1.00 50.21 H new ATOM 0 HD2 PRO A 48 -9.465 3.048 -2.037 1.00 52.41 H new ATOM 0 HD3 PRO A 48 -10.904 3.838 -1.424 1.00 52.41 H new ATOM 779 N GLY A 49 -7.024 5.555 -3.067 1.00 22.11 N ATOM 780 CA GLY A 49 -5.656 5.676 -3.535 1.00 5.22 C ATOM 781 C GLY A 49 -5.506 6.717 -4.627 1.00 73.51 C ATOM 782 O GLY A 49 -4.405 7.203 -4.885 1.00 44.21 O ATOM 0 H GLY A 49 -7.509 4.712 -3.374 1.00 22.11 H new ATOM 0 HA2 GLY A 49 -5.010 5.938 -2.697 1.00 5.22 H new ATOM 0 HA3 GLY A 49 -5.317 4.710 -3.909 1.00 5.22 H new ATOM 786 N LEU A 50 -6.616 7.058 -5.272 1.00 73.01 N ATOM 787 CA LEU A 50 -6.605 8.047 -6.345 1.00 25.33 C ATOM 788 C LEU A 50 -6.114 9.398 -5.834 1.00 73.14 C ATOM 789 O LEU A 50 -5.702 10.256 -6.616 1.00 0.43 O ATOM 790 CB LEU A 50 -8.004 8.193 -6.946 1.00 24.32 C ATOM 791 CG LEU A 50 -8.419 7.116 -7.949 1.00 44.33 C ATOM 792 CD1 LEU A 50 -9.869 7.306 -8.367 1.00 4.23 C ATOM 793 CD2 LEU A 50 -7.504 7.140 -9.165 1.00 72.24 C ATOM 0 H LEU A 50 -7.535 6.664 -5.071 1.00 73.01 H new ATOM 0 HA LEU A 50 -5.919 7.701 -7.118 1.00 25.33 H new ATOM 0 HB2 LEU A 50 -8.728 8.201 -6.132 1.00 24.32 H new ATOM 0 HB3 LEU A 50 -8.067 9.163 -7.438 1.00 24.32 H new ATOM 0 HG LEU A 50 -8.326 6.142 -7.468 1.00 44.33 H new ATOM 0 HD11 LEU A 50 -10.146 6.530 -9.081 1.00 4.23 H new ATOM 0 HD12 LEU A 50 -10.512 7.239 -7.490 1.00 4.23 H new ATOM 0 HD13 LEU A 50 -9.989 8.285 -8.830 1.00 4.23 H new ATOM 0 HD21 LEU A 50 -7.814 6.367 -9.869 1.00 72.24 H new ATOM 0 HD22 LEU A 50 -7.565 8.116 -9.647 1.00 72.24 H new ATOM 0 HD23 LEU A 50 -6.477 6.954 -8.851 1.00 72.24 H new ATOM 805 N LEU A 51 -6.160 9.580 -4.519 1.00 61.43 N ATOM 806 CA LEU A 51 -5.718 10.826 -3.903 1.00 52.13 C ATOM 807 C LEU A 51 -4.202 10.845 -3.739 1.00 62.13 C ATOM 808 O LEU A 51 -3.626 11.850 -3.325 1.00 2.11 O ATOM 809 CB LEU A 51 -6.392 11.013 -2.543 1.00 31.52 C ATOM 810 CG LEU A 51 -7.916 10.889 -2.526 1.00 51.42 C ATOM 811 CD1 LEU A 51 -8.409 10.555 -1.127 1.00 15.50 C ATOM 812 CD2 LEU A 51 -8.560 12.173 -3.029 1.00 14.23 C ATOM 0 H LEU A 51 -6.499 8.880 -3.859 1.00 61.43 H new ATOM 0 HA LEU A 51 -6.004 11.648 -4.559 1.00 52.13 H new ATOM 0 HB2 LEU A 51 -5.980 10.278 -1.852 1.00 31.52 H new ATOM 0 HB3 LEU A 51 -6.123 11.997 -2.159 1.00 31.52 H new ATOM 0 HG LEU A 51 -8.203 10.076 -3.193 1.00 51.42 H new ATOM 0 HD11 LEU A 51 -9.496 10.471 -1.135 1.00 15.50 H new ATOM 0 HD12 LEU A 51 -7.974 9.609 -0.804 1.00 15.50 H new ATOM 0 HD13 LEU A 51 -8.111 11.345 -0.438 1.00 15.50 H new ATOM 0 HD21 LEU A 51 -9.645 12.068 -3.010 1.00 14.23 H new ATOM 0 HD22 LEU A 51 -8.265 13.003 -2.388 1.00 14.23 H new ATOM 0 HD23 LEU A 51 -8.232 12.369 -4.050 1.00 14.23 H new ATOM 824 N GLU A 52 -3.562 9.727 -4.069 1.00 50.44 N ATOM 825 CA GLU A 52 -2.112 9.617 -3.960 1.00 12.14 C ATOM 826 C GLU A 52 -1.441 9.922 -5.296 1.00 24.54 C ATOM 827 O GLU A 52 -0.311 9.501 -5.546 1.00 64.14 O ATOM 828 CB GLU A 52 -1.719 8.216 -3.486 1.00 74.04 C ATOM 829 CG GLU A 52 -0.247 8.082 -3.136 1.00 41.42 C ATOM 830 CD GLU A 52 0.020 6.953 -2.160 1.00 44.20 C ATOM 831 OE1 GLU A 52 -0.633 6.922 -1.096 1.00 51.42 O ATOM 832 OE2 GLU A 52 0.883 6.101 -2.459 1.00 54.13 O ATOM 0 H GLU A 52 -4.024 8.886 -4.414 1.00 50.44 H new ATOM 0 HA GLU A 52 -1.772 10.349 -3.228 1.00 12.14 H new ATOM 0 HB2 GLU A 52 -2.317 7.957 -2.612 1.00 74.04 H new ATOM 0 HB3 GLU A 52 -1.965 7.495 -4.266 1.00 74.04 H new ATOM 0 HG2 GLU A 52 0.325 7.912 -4.048 1.00 41.42 H new ATOM 0 HG3 GLU A 52 0.107 9.019 -2.707 1.00 41.42 H new ATOM 839 N THR A 53 -2.145 10.656 -6.152 1.00 22.44 N ATOM 840 CA THR A 53 -1.619 11.015 -7.462 1.00 52.55 C ATOM 841 C THR A 53 -2.431 12.143 -8.090 1.00 32.31 C ATOM 842 O THR A 53 -3.619 11.983 -8.372 1.00 23.34 O ATOM 843 CB THR A 53 -1.616 9.807 -8.418 1.00 32.04 C ATOM 844 OG1 THR A 53 -2.233 10.163 -9.660 1.00 34.22 O ATOM 845 CG2 THR A 53 -2.351 8.627 -7.800 1.00 14.22 C ATOM 0 H THR A 53 -3.081 11.013 -5.961 1.00 22.44 H new ATOM 0 HA THR A 53 -0.593 11.350 -7.309 1.00 52.55 H new ATOM 0 HB THR A 53 -0.581 9.516 -8.598 1.00 32.04 H new ATOM 0 HG1 THR A 53 -2.226 9.390 -10.262 1.00 34.22 H new ATOM 0 HG21 THR A 53 -2.336 7.786 -8.493 1.00 14.22 H new ATOM 0 HG22 THR A 53 -1.861 8.340 -6.870 1.00 14.22 H new ATOM 0 HG23 THR A 53 -3.384 8.909 -7.594 1.00 14.22 H new ATOM 853 N SER A 54 -1.783 13.283 -8.307 1.00 71.31 N ATOM 854 CA SER A 54 -2.447 14.438 -8.899 1.00 43.40 C ATOM 855 C SER A 54 -3.234 14.035 -10.142 1.00 42.22 C ATOM 856 O SER A 54 -4.329 14.540 -10.387 1.00 1.23 O ATOM 857 CB SER A 54 -1.420 15.514 -9.258 1.00 42.13 C ATOM 858 OG SER A 54 -1.144 15.512 -10.648 1.00 63.42 O ATOM 0 H SER A 54 -0.799 13.431 -8.082 1.00 71.31 H new ATOM 0 HA SER A 54 -3.144 14.841 -8.165 1.00 43.40 H new ATOM 0 HB2 SER A 54 -1.795 16.493 -8.960 1.00 42.13 H new ATOM 0 HB3 SER A 54 -0.499 15.342 -8.701 1.00 42.13 H new ATOM 0 HG SER A 54 -0.486 16.209 -10.852 1.00 63.42 H new ATOM 864 N GLU A 55 -2.666 13.122 -10.924 1.00 34.32 N ATOM 865 CA GLU A 55 -3.314 12.651 -12.142 1.00 54.14 C ATOM 866 C GLU A 55 -4.657 11.999 -11.827 1.00 74.42 C ATOM 867 O GLU A 55 -5.600 12.083 -12.613 1.00 15.34 O ATOM 868 CB GLU A 55 -2.411 11.657 -12.875 1.00 74.33 C ATOM 869 CG GLU A 55 -2.890 11.318 -14.277 1.00 53.40 C ATOM 870 CD GLU A 55 -2.058 11.986 -15.355 1.00 14.02 C ATOM 871 OE1 GLU A 55 -0.825 12.075 -15.181 1.00 63.02 O ATOM 872 OE2 GLU A 55 -2.640 12.420 -16.371 1.00 32.50 O ATOM 0 H GLU A 55 -1.759 12.694 -10.736 1.00 34.32 H new ATOM 0 HA GLU A 55 -3.491 13.513 -12.785 1.00 54.14 H new ATOM 0 HB2 GLU A 55 -1.404 12.069 -12.934 1.00 74.33 H new ATOM 0 HB3 GLU A 55 -2.346 10.739 -12.291 1.00 74.33 H new ATOM 0 HG2 GLU A 55 -2.859 10.237 -14.416 1.00 53.40 H new ATOM 0 HG3 GLU A 55 -3.931 11.623 -14.385 1.00 53.40 H new ATOM 879 N GLY A 56 -4.735 11.346 -10.671 1.00 52.50 N ATOM 880 CA GLY A 56 -5.965 10.688 -10.272 1.00 55.30 C ATOM 881 C GLY A 56 -6.975 11.654 -9.682 1.00 64.54 C ATOM 882 O GLY A 56 -8.176 11.532 -9.927 1.00 3.43 O ATOM 0 H GLY A 56 -3.968 11.261 -10.004 1.00 52.50 H new ATOM 0 HA2 GLY A 56 -6.405 10.191 -11.137 1.00 55.30 H new ATOM 0 HA3 GLY A 56 -5.738 9.913 -9.540 1.00 55.30 H new ATOM 886 N CYS A 57 -6.488 12.613 -8.903 1.00 63.12 N ATOM 887 CA CYS A 57 -7.356 13.602 -8.275 1.00 33.24 C ATOM 888 C CYS A 57 -8.177 14.348 -9.321 1.00 74.21 C ATOM 889 O CYS A 57 -9.268 14.841 -9.033 1.00 73.51 O ATOM 890 CB CYS A 57 -6.527 14.593 -7.457 1.00 50.54 C ATOM 891 SG CYS A 57 -6.331 14.136 -5.719 1.00 74.01 S ATOM 0 H CYS A 57 -5.497 12.727 -8.691 1.00 63.12 H new ATOM 0 HA CYS A 57 -8.041 13.077 -7.609 1.00 33.24 H new ATOM 0 HB2 CYS A 57 -5.540 14.685 -7.910 1.00 50.54 H new ATOM 0 HB3 CYS A 57 -6.997 15.575 -7.512 1.00 50.54 H new ATOM 0 HG CYS A 57 -5.074 14.196 -5.394 1.00 74.01 H new ATOM 897 N ARG A 58 -7.645 14.428 -10.536 1.00 50.42 N ATOM 898 CA ARG A 58 -8.327 15.117 -11.625 1.00 52.11 C ATOM 899 C ARG A 58 -9.507 14.295 -12.134 1.00 35.52 C ATOM 900 O ARG A 58 -10.552 14.843 -12.486 1.00 24.52 O ATOM 901 CB ARG A 58 -7.353 15.394 -12.772 1.00 1.04 C ATOM 902 CG ARG A 58 -7.896 16.358 -13.813 1.00 53.41 C ATOM 903 CD ARG A 58 -6.880 16.620 -14.914 1.00 34.10 C ATOM 904 NE ARG A 58 -7.480 16.536 -16.243 1.00 63.31 N ATOM 905 CZ ARG A 58 -6.899 17.004 -17.342 1.00 40.31 C ATOM 906 NH1 ARG A 58 -5.710 17.587 -17.271 1.00 31.22 N ATOM 907 NH2 ARG A 58 -7.508 16.890 -18.516 1.00 4.23 N ATOM 0 H ARG A 58 -6.744 14.024 -10.791 1.00 50.42 H new ATOM 0 HA ARG A 58 -8.705 16.065 -11.241 1.00 52.11 H new ATOM 0 HB2 ARG A 58 -6.428 15.799 -12.362 1.00 1.04 H new ATOM 0 HB3 ARG A 58 -7.101 14.452 -13.258 1.00 1.04 H new ATOM 0 HG2 ARG A 58 -8.808 15.949 -14.248 1.00 53.41 H new ATOM 0 HG3 ARG A 58 -8.165 17.299 -13.334 1.00 53.41 H new ATOM 0 HD2 ARG A 58 -6.442 17.609 -14.776 1.00 34.10 H new ATOM 0 HD3 ARG A 58 -6.067 15.898 -14.837 1.00 34.10 H new ATOM 0 HE ARG A 58 -8.395 16.094 -16.332 1.00 63.31 H new ATOM 0 HH11 ARG A 58 -5.239 17.677 -16.371 1.00 31.22 H new ATOM 0 HH12 ARG A 58 -5.266 17.945 -18.117 1.00 31.22 H new ATOM 0 HH21 ARG A 58 -8.423 16.443 -18.575 1.00 4.23 H new ATOM 0 HH22 ARG A 58 -7.061 17.250 -19.359 1.00 4.23 H new ATOM 921 N GLN A 59 -9.333 12.977 -12.170 1.00 5.53 N ATOM 922 CA GLN A 59 -10.383 12.080 -12.637 1.00 2.34 C ATOM 923 C GLN A 59 -11.578 12.101 -11.689 1.00 25.02 C ATOM 924 O GLN A 59 -12.727 12.008 -12.121 1.00 63.33 O ATOM 925 CB GLN A 59 -9.844 10.654 -12.766 1.00 53.44 C ATOM 926 CG GLN A 59 -9.795 10.151 -14.200 1.00 31.22 C ATOM 927 CD GLN A 59 -8.382 9.872 -14.672 1.00 61.41 C ATOM 928 OE1 GLN A 59 -7.452 10.616 -14.360 1.00 12.12 O ATOM 929 NE2 GLN A 59 -8.213 8.794 -15.429 1.00 65.03 N ATOM 0 H GLN A 59 -8.475 12.507 -11.881 1.00 5.53 H new ATOM 0 HA GLN A 59 -10.713 12.426 -13.616 1.00 2.34 H new ATOM 0 HB2 GLN A 59 -8.841 10.613 -12.341 1.00 53.44 H new ATOM 0 HB3 GLN A 59 -10.468 9.983 -12.175 1.00 53.44 H new ATOM 0 HG2 GLN A 59 -10.388 9.240 -14.282 1.00 31.22 H new ATOM 0 HG3 GLN A 59 -10.254 10.890 -14.856 1.00 31.22 H new ATOM 0 HE21 GLN A 59 -9.012 8.205 -15.663 1.00 65.03 H new ATOM 0 HE22 GLN A 59 -7.284 8.555 -15.776 1.00 65.03 H new ATOM 938 N ILE A 60 -11.298 12.223 -10.396 1.00 14.25 N ATOM 939 CA ILE A 60 -12.350 12.257 -9.387 1.00 75.33 C ATOM 940 C ILE A 60 -13.319 13.407 -9.641 1.00 44.21 C ATOM 941 O ILE A 60 -14.530 13.204 -9.739 1.00 4.11 O ATOM 942 CB ILE A 60 -11.767 12.395 -7.969 1.00 3.31 C ATOM 943 CG1 ILE A 60 -10.709 11.318 -7.722 1.00 21.23 C ATOM 944 CG2 ILE A 60 -12.874 12.306 -6.929 1.00 50.54 C ATOM 945 CD1 ILE A 60 -10.042 11.425 -6.368 1.00 71.11 C ATOM 0 H ILE A 60 -10.352 12.300 -10.022 1.00 14.25 H new ATOM 0 HA ILE A 60 -12.886 11.311 -9.459 1.00 75.33 H new ATOM 0 HB ILE A 60 -11.292 13.372 -7.882 1.00 3.31 H new ATOM 0 HG12 ILE A 60 -11.174 10.336 -7.812 1.00 21.23 H new ATOM 0 HG13 ILE A 60 -9.948 11.383 -8.499 1.00 21.23 H new ATOM 0 HG21 ILE A 60 -12.445 12.405 -5.932 1.00 50.54 H new ATOM 0 HG22 ILE A 60 -13.595 13.106 -7.095 1.00 50.54 H new ATOM 0 HG23 ILE A 60 -13.376 11.342 -7.014 1.00 50.54 H new ATOM 0 HD11 ILE A 60 -9.304 10.630 -6.262 1.00 71.11 H new ATOM 0 HD12 ILE A 60 -9.548 12.393 -6.281 1.00 71.11 H new ATOM 0 HD13 ILE A 60 -10.793 11.329 -5.584 1.00 71.11 H new ATOM 957 N LEU A 61 -12.777 14.616 -9.749 1.00 34.44 N ATOM 958 CA LEU A 61 -13.593 15.800 -9.993 1.00 41.24 C ATOM 959 C LEU A 61 -14.326 15.691 -11.327 1.00 21.45 C ATOM 960 O LEU A 61 -15.467 16.132 -11.457 1.00 61.53 O ATOM 961 CB LEU A 61 -12.720 17.056 -9.980 1.00 41.22 C ATOM 962 CG LEU A 61 -12.150 17.463 -8.621 1.00 14.42 C ATOM 963 CD1 LEU A 61 -11.196 18.638 -8.772 1.00 63.50 C ATOM 964 CD2 LEU A 61 -13.274 17.808 -7.654 1.00 5.14 C ATOM 0 H LEU A 61 -11.777 14.801 -9.671 1.00 34.44 H new ATOM 0 HA LEU A 61 -14.334 15.871 -9.197 1.00 41.24 H new ATOM 0 HB2 LEU A 61 -11.889 16.904 -10.669 1.00 41.22 H new ATOM 0 HB3 LEU A 61 -13.308 17.887 -10.368 1.00 41.22 H new ATOM 0 HG LEU A 61 -11.593 16.619 -8.215 1.00 14.42 H new ATOM 0 HD11 LEU A 61 -10.800 18.913 -7.794 1.00 63.50 H new ATOM 0 HD12 LEU A 61 -10.374 18.357 -9.430 1.00 63.50 H new ATOM 0 HD13 LEU A 61 -11.729 19.487 -9.200 1.00 63.50 H new ATOM 0 HD21 LEU A 61 -12.851 18.095 -6.692 1.00 5.14 H new ATOM 0 HD22 LEU A 61 -13.858 18.636 -8.055 1.00 5.14 H new ATOM 0 HD23 LEU A 61 -13.919 16.940 -7.522 1.00 5.14 H new ATOM 976 N GLY A 62 -13.662 15.097 -12.314 1.00 52.22 N ATOM 977 CA GLY A 62 -14.267 14.938 -13.624 1.00 0.22 C ATOM 978 C GLY A 62 -15.368 13.897 -13.631 1.00 72.33 C ATOM 979 O GLY A 62 -16.273 13.948 -14.464 1.00 62.51 O ATOM 0 H GLY A 62 -12.717 14.723 -12.230 1.00 52.22 H new ATOM 0 HA2 GLY A 62 -14.674 15.895 -13.952 1.00 0.22 H new ATOM 0 HA3 GLY A 62 -13.499 14.655 -14.344 1.00 0.22 H new ATOM 983 N GLN A 63 -15.291 12.949 -12.702 1.00 42.24 N ATOM 984 CA GLN A 63 -16.288 11.890 -12.608 1.00 32.24 C ATOM 985 C GLN A 63 -17.540 12.384 -11.890 1.00 73.53 C ATOM 986 O GLN A 63 -18.660 12.169 -12.355 1.00 75.43 O ATOM 987 CB GLN A 63 -15.709 10.679 -11.873 1.00 51.40 C ATOM 988 CG GLN A 63 -15.882 9.371 -12.627 1.00 25.43 C ATOM 989 CD GLN A 63 -16.736 8.371 -11.872 1.00 62.13 C ATOM 990 OE1 GLN A 63 -17.691 8.743 -11.190 1.00 5.25 O ATOM 991 NE2 GLN A 63 -16.397 7.093 -11.992 1.00 23.31 N ATOM 0 H GLN A 63 -14.549 12.893 -12.004 1.00 42.24 H new ATOM 0 HA GLN A 63 -16.564 11.594 -13.620 1.00 32.24 H new ATOM 0 HB2 GLN A 63 -14.647 10.847 -11.693 1.00 51.40 H new ATOM 0 HB3 GLN A 63 -16.188 10.593 -10.898 1.00 51.40 H new ATOM 0 HG2 GLN A 63 -16.337 9.572 -13.597 1.00 25.43 H new ATOM 0 HG3 GLN A 63 -14.902 8.934 -12.819 1.00 25.43 H new ATOM 0 HE21 GLN A 63 -15.598 6.829 -12.568 1.00 23.31 H new ATOM 0 HE22 GLN A 63 -16.936 6.375 -11.508 1.00 23.31 H new ATOM 1000 N LEU A 64 -17.344 13.046 -10.756 1.00 24.44 N ATOM 1001 CA LEU A 64 -18.457 13.570 -9.973 1.00 13.21 C ATOM 1002 C LEU A 64 -19.057 14.805 -10.639 1.00 20.43 C ATOM 1003 O LEU A 64 -20.220 15.139 -10.414 1.00 4.25 O ATOM 1004 CB LEU A 64 -17.993 13.915 -8.557 1.00 14.23 C ATOM 1005 CG LEU A 64 -17.149 12.854 -7.850 1.00 14.13 C ATOM 1006 CD1 LEU A 64 -16.541 13.418 -6.575 1.00 61.02 C ATOM 1007 CD2 LEU A 64 -17.989 11.623 -7.543 1.00 21.54 C ATOM 0 H LEU A 64 -16.424 13.233 -10.358 1.00 24.44 H new ATOM 0 HA LEU A 64 -19.226 12.799 -9.919 1.00 13.21 H new ATOM 0 HB2 LEU A 64 -17.417 14.839 -8.600 1.00 14.23 H new ATOM 0 HB3 LEU A 64 -18.873 14.116 -7.947 1.00 14.23 H new ATOM 0 HG LEU A 64 -16.338 12.559 -8.516 1.00 14.13 H new ATOM 0 HD11 LEU A 64 -15.944 12.649 -6.085 1.00 61.02 H new ATOM 0 HD12 LEU A 64 -15.906 14.269 -6.820 1.00 61.02 H new ATOM 0 HD13 LEU A 64 -17.337 13.741 -5.904 1.00 61.02 H new ATOM 0 HD21 LEU A 64 -17.373 10.878 -7.040 1.00 21.54 H new ATOM 0 HD22 LEU A 64 -18.821 11.902 -6.896 1.00 21.54 H new ATOM 0 HD23 LEU A 64 -18.376 11.206 -8.473 1.00 21.54 H new ATOM 1019 N GLN A 65 -18.256 15.475 -11.460 1.00 50.43 N ATOM 1020 CA GLN A 65 -18.709 16.672 -12.160 1.00 20.10 C ATOM 1021 C GLN A 65 -20.073 16.443 -12.803 1.00 62.11 C ATOM 1022 O GLN A 65 -21.057 17.111 -12.484 1.00 64.12 O ATOM 1023 CB GLN A 65 -17.691 17.081 -13.226 1.00 73.23 C ATOM 1024 CG GLN A 65 -17.045 18.432 -12.965 1.00 34.35 C ATOM 1025 CD GLN A 65 -16.534 19.089 -14.231 1.00 41.31 C ATOM 1026 OE1 GLN A 65 -17.313 19.597 -15.039 1.00 24.31 O ATOM 1027 NE2 GLN A 65 -15.218 19.084 -14.411 1.00 53.24 N ATOM 0 H GLN A 65 -17.291 15.210 -11.657 1.00 50.43 H new ATOM 0 HA GLN A 65 -18.802 17.476 -11.430 1.00 20.10 H new ATOM 0 HB2 GLN A 65 -16.912 16.320 -13.283 1.00 73.23 H new ATOM 0 HB3 GLN A 65 -18.185 17.105 -14.197 1.00 73.23 H new ATOM 0 HG2 GLN A 65 -17.770 19.090 -12.486 1.00 34.35 H new ATOM 0 HG3 GLN A 65 -16.218 18.306 -12.266 1.00 34.35 H new ATOM 0 HE21 GLN A 65 -14.610 18.652 -13.716 1.00 53.24 H new ATOM 0 HE22 GLN A 65 -14.816 19.512 -15.245 1.00 53.24 H new ATOM 1036 N PRO A 66 -20.135 15.477 -13.731 1.00 72.42 N ATOM 1037 CA PRO A 66 -21.373 15.137 -14.439 1.00 15.25 C ATOM 1038 C PRO A 66 -22.395 14.464 -13.528 1.00 53.43 C ATOM 1039 O PRO A 66 -23.474 14.073 -13.973 1.00 53.01 O ATOM 1040 CB PRO A 66 -20.906 14.167 -15.526 1.00 50.15 C ATOM 1041 CG PRO A 66 -19.655 13.566 -14.986 1.00 22.12 C ATOM 1042 CD PRO A 66 -19.002 14.640 -14.161 1.00 42.51 C ATOM 0 HA PRO A 66 -21.877 16.022 -14.827 1.00 15.25 H new ATOM 0 HB2 PRO A 66 -21.658 13.404 -15.725 1.00 50.15 H new ATOM 0 HB3 PRO A 66 -20.722 14.686 -16.467 1.00 50.15 H new ATOM 0 HG2 PRO A 66 -19.874 12.687 -14.379 1.00 22.12 H new ATOM 0 HG3 PRO A 66 -18.999 13.240 -15.793 1.00 22.12 H new ATOM 0 HD2 PRO A 66 -18.465 14.222 -13.309 1.00 42.51 H new ATOM 0 HD3 PRO A 66 -18.279 15.211 -14.744 1.00 42.51 H new ATOM 1050 N SER A 67 -22.048 14.334 -12.252 1.00 35.32 N ATOM 1051 CA SER A 67 -22.935 13.705 -11.279 1.00 62.04 C ATOM 1052 C SER A 67 -23.405 14.717 -10.239 1.00 52.12 C ATOM 1053 O SER A 67 -24.272 14.421 -9.415 1.00 44.12 O ATOM 1054 CB SER A 67 -22.224 12.540 -10.589 1.00 20.44 C ATOM 1055 OG SER A 67 -21.570 11.710 -11.533 1.00 23.44 O ATOM 0 H SER A 67 -21.160 14.655 -11.867 1.00 35.32 H new ATOM 0 HA SER A 67 -23.807 13.325 -11.811 1.00 62.04 H new ATOM 0 HB2 SER A 67 -21.497 12.926 -9.874 1.00 20.44 H new ATOM 0 HB3 SER A 67 -22.947 11.953 -10.023 1.00 20.44 H new ATOM 0 HG SER A 67 -20.645 12.012 -11.648 1.00 23.44 H new ATOM 1061 N LEU A 68 -22.828 15.913 -10.283 1.00 71.33 N ATOM 1062 CA LEU A 68 -23.187 16.971 -9.345 1.00 71.32 C ATOM 1063 C LEU A 68 -24.668 17.318 -9.457 1.00 40.54 C ATOM 1064 O LEU A 68 -25.240 17.935 -8.559 1.00 4.12 O ATOM 1065 CB LEU A 68 -22.338 18.217 -9.602 1.00 60.11 C ATOM 1066 CG LEU A 68 -20.867 18.122 -9.196 1.00 1.25 C ATOM 1067 CD1 LEU A 68 -20.040 19.161 -9.937 1.00 14.41 C ATOM 1068 CD2 LEU A 68 -20.717 18.293 -7.691 1.00 14.41 C ATOM 0 H LEU A 68 -22.110 16.174 -10.958 1.00 71.33 H new ATOM 0 HA LEU A 68 -22.993 16.609 -8.335 1.00 71.32 H new ATOM 0 HB2 LEU A 68 -22.386 18.452 -10.665 1.00 60.11 H new ATOM 0 HB3 LEU A 68 -22.788 19.055 -9.069 1.00 60.11 H new ATOM 0 HG LEU A 68 -20.498 17.133 -9.468 1.00 1.25 H new ATOM 0 HD11 LEU A 68 -18.996 19.078 -9.635 1.00 14.41 H new ATOM 0 HD12 LEU A 68 -20.122 18.993 -11.011 1.00 14.41 H new ATOM 0 HD13 LEU A 68 -20.409 20.158 -9.697 1.00 14.41 H new ATOM 0 HD21 LEU A 68 -19.664 18.223 -7.420 1.00 14.41 H new ATOM 0 HD22 LEU A 68 -21.103 19.268 -7.395 1.00 14.41 H new ATOM 0 HD23 LEU A 68 -21.277 17.511 -7.178 1.00 14.41 H new ATOM 1080 N GLN A 69 -25.283 16.917 -10.565 1.00 64.23 N ATOM 1081 CA GLN A 69 -26.698 17.185 -10.793 1.00 44.14 C ATOM 1082 C GLN A 69 -27.568 16.137 -10.108 1.00 62.44 C ATOM 1083 O GLN A 69 -28.575 16.464 -9.480 1.00 74.24 O ATOM 1084 CB GLN A 69 -26.998 17.213 -12.293 1.00 44.41 C ATOM 1085 CG GLN A 69 -28.349 17.821 -12.632 1.00 12.23 C ATOM 1086 CD GLN A 69 -28.265 19.307 -12.921 1.00 60.25 C ATOM 1087 OE1 GLN A 69 -27.181 19.891 -12.918 1.00 12.33 O ATOM 1088 NE2 GLN A 69 -29.412 19.927 -13.175 1.00 64.30 N ATOM 0 H GLN A 69 -24.824 16.406 -11.319 1.00 64.23 H new ATOM 0 HA GLN A 69 -26.931 18.160 -10.365 1.00 44.14 H new ATOM 0 HB2 GLN A 69 -26.217 17.779 -12.801 1.00 44.41 H new ATOM 0 HB3 GLN A 69 -26.959 16.195 -12.682 1.00 44.41 H new ATOM 0 HG2 GLN A 69 -28.766 17.309 -13.499 1.00 12.23 H new ATOM 0 HG3 GLN A 69 -29.036 17.654 -11.803 1.00 12.23 H new ATOM 0 HE21 GLN A 69 -30.287 19.404 -13.167 1.00 64.30 H new ATOM 0 HE22 GLN A 69 -29.417 20.927 -13.378 1.00 64.30 H new ATOM 1097 N THR A 70 -27.173 14.873 -10.233 1.00 42.34 N ATOM 1098 CA THR A 70 -27.917 13.776 -9.628 1.00 12.30 C ATOM 1099 C THR A 70 -27.316 13.379 -8.285 1.00 2.13 C ATOM 1100 O THR A 70 -27.285 12.201 -7.931 1.00 54.21 O ATOM 1101 CB THR A 70 -27.947 12.542 -10.549 1.00 55.11 C ATOM 1102 OG1 THR A 70 -28.793 11.532 -9.987 1.00 51.24 O ATOM 1103 CG2 THR A 70 -26.547 11.983 -10.751 1.00 51.34 C ATOM 0 H THR A 70 -26.341 14.585 -10.748 1.00 42.34 H new ATOM 0 HA THR A 70 -28.936 14.131 -9.476 1.00 12.30 H new ATOM 0 HB THR A 70 -28.342 12.849 -11.518 1.00 55.11 H new ATOM 0 HG1 THR A 70 -28.562 11.400 -9.044 1.00 51.24 H new ATOM 0 HG21 THR A 70 -26.594 11.112 -11.405 1.00 51.34 H new ATOM 0 HG22 THR A 70 -25.913 12.744 -11.206 1.00 51.34 H new ATOM 0 HG23 THR A 70 -26.129 11.691 -9.787 1.00 51.34 H new ATOM 1111 N GLY A 71 -26.838 14.371 -7.539 1.00 31.23 N ATOM 1112 CA GLY A 71 -26.244 14.104 -6.242 1.00 33.32 C ATOM 1113 C GLY A 71 -26.486 15.226 -5.251 1.00 61.44 C ATOM 1114 O GLY A 71 -26.567 16.393 -5.633 1.00 44.02 O ATOM 0 H GLY A 71 -26.852 15.354 -7.810 1.00 31.23 H new ATOM 0 HA2 GLY A 71 -26.653 13.176 -5.843 1.00 33.32 H new ATOM 0 HA3 GLY A 71 -25.171 13.954 -6.361 1.00 33.32 H new ATOM 1118 N SER A 72 -26.603 14.872 -3.976 1.00 34.44 N ATOM 1119 CA SER A 72 -26.843 15.857 -2.928 1.00 0.11 C ATOM 1120 C SER A 72 -25.527 16.419 -2.399 1.00 63.04 C ATOM 1121 O SER A 72 -24.472 16.229 -3.003 1.00 62.54 O ATOM 1122 CB SER A 72 -27.640 15.231 -1.782 1.00 21.21 C ATOM 1123 OG SER A 72 -26.794 14.499 -0.912 1.00 65.14 O ATOM 0 H SER A 72 -26.536 13.910 -3.643 1.00 34.44 H new ATOM 0 HA SER A 72 -27.421 16.675 -3.359 1.00 0.11 H new ATOM 0 HB2 SER A 72 -28.153 16.013 -1.222 1.00 21.21 H new ATOM 0 HB3 SER A 72 -28.408 14.572 -2.187 1.00 21.21 H new ATOM 0 HG SER A 72 -27.339 14.006 -0.264 1.00 65.14 H new ATOM 1129 N GLU A 73 -25.598 17.112 -1.267 1.00 55.33 N ATOM 1130 CA GLU A 73 -24.413 17.703 -0.658 1.00 22.14 C ATOM 1131 C GLU A 73 -23.329 16.650 -0.443 1.00 74.13 C ATOM 1132 O GLU A 73 -22.138 16.957 -0.467 1.00 52.25 O ATOM 1133 CB GLU A 73 -24.772 18.360 0.677 1.00 41.02 C ATOM 1134 CG GLU A 73 -23.988 19.630 0.960 1.00 0.32 C ATOM 1135 CD GLU A 73 -24.825 20.883 0.789 1.00 71.01 C ATOM 1136 OE1 GLU A 73 -25.574 21.230 1.726 1.00 60.40 O ATOM 1137 OE2 GLU A 73 -24.731 21.517 -0.283 1.00 63.11 O ATOM 0 H GLU A 73 -26.464 17.278 -0.753 1.00 55.33 H new ATOM 0 HA GLU A 73 -24.028 18.463 -1.337 1.00 22.14 H new ATOM 0 HB2 GLU A 73 -25.837 18.591 0.684 1.00 41.02 H new ATOM 0 HB3 GLU A 73 -24.596 17.647 1.482 1.00 41.02 H new ATOM 0 HG2 GLU A 73 -23.599 19.593 1.978 1.00 0.32 H new ATOM 0 HG3 GLU A 73 -23.128 19.678 0.292 1.00 0.32 H new ATOM 1144 N GLU A 74 -23.753 15.408 -0.233 1.00 71.50 N ATOM 1145 CA GLU A 74 -22.819 14.310 -0.013 1.00 31.41 C ATOM 1146 C GLU A 74 -21.712 14.318 -1.063 1.00 40.31 C ATOM 1147 O GLU A 74 -20.559 14.000 -0.769 1.00 1.41 O ATOM 1148 CB GLU A 74 -23.557 12.969 -0.044 1.00 45.35 C ATOM 1149 CG GLU A 74 -24.054 12.516 1.318 1.00 61.02 C ATOM 1150 CD GLU A 74 -25.463 11.958 1.268 1.00 21.24 C ATOM 1151 OE1 GLU A 74 -26.419 12.760 1.243 1.00 51.43 O ATOM 1152 OE2 GLU A 74 -25.609 10.717 1.255 1.00 2.51 O ATOM 0 H GLU A 74 -24.736 15.137 -0.211 1.00 71.50 H new ATOM 0 HA GLU A 74 -22.365 14.444 0.969 1.00 31.41 H new ATOM 0 HB2 GLU A 74 -24.406 13.047 -0.724 1.00 45.35 H new ATOM 0 HB3 GLU A 74 -22.892 12.207 -0.450 1.00 45.35 H new ATOM 0 HG2 GLU A 74 -23.380 11.756 1.712 1.00 61.02 H new ATOM 0 HG3 GLU A 74 -24.025 13.358 2.010 1.00 61.02 H new ATOM 1159 N LEU A 75 -22.071 14.684 -2.289 1.00 25.41 N ATOM 1160 CA LEU A 75 -21.109 14.734 -3.385 1.00 24.35 C ATOM 1161 C LEU A 75 -20.524 16.135 -3.532 1.00 63.30 C ATOM 1162 O LEU A 75 -19.413 16.305 -4.036 1.00 32.45 O ATOM 1163 CB LEU A 75 -21.774 14.306 -4.694 1.00 12.13 C ATOM 1164 CG LEU A 75 -20.829 13.915 -5.831 1.00 34.04 C ATOM 1165 CD1 LEU A 75 -20.627 12.408 -5.862 1.00 12.00 C ATOM 1166 CD2 LEU A 75 -21.367 14.411 -7.165 1.00 62.21 C ATOM 0 H LEU A 75 -23.021 14.950 -2.549 1.00 25.41 H new ATOM 0 HA LEU A 75 -20.297 14.044 -3.155 1.00 24.35 H new ATOM 0 HB2 LEU A 75 -22.429 13.460 -4.486 1.00 12.13 H new ATOM 0 HB3 LEU A 75 -22.408 15.122 -5.040 1.00 12.13 H new ATOM 0 HG LEU A 75 -19.862 14.387 -5.654 1.00 34.04 H new ATOM 0 HD11 LEU A 75 -19.952 12.148 -6.677 1.00 12.00 H new ATOM 0 HD12 LEU A 75 -20.197 12.079 -4.916 1.00 12.00 H new ATOM 0 HD13 LEU A 75 -21.587 11.915 -6.015 1.00 12.00 H new ATOM 0 HD21 LEU A 75 -20.682 14.124 -7.963 1.00 62.21 H new ATOM 0 HD22 LEU A 75 -22.346 13.968 -7.350 1.00 62.21 H new ATOM 0 HD23 LEU A 75 -21.459 15.497 -7.139 1.00 62.21 H new ATOM 1178 N ARG A 76 -21.278 17.135 -3.088 1.00 23.13 N ATOM 1179 CA ARG A 76 -20.834 18.521 -3.169 1.00 44.14 C ATOM 1180 C ARG A 76 -19.618 18.756 -2.278 1.00 22.13 C ATOM 1181 O ARG A 76 -18.678 19.452 -2.663 1.00 14.15 O ATOM 1182 CB ARG A 76 -21.966 19.466 -2.765 1.00 13.50 C ATOM 1183 CG ARG A 76 -21.872 20.840 -3.409 1.00 10.25 C ATOM 1184 CD ARG A 76 -20.974 21.770 -2.608 1.00 14.35 C ATOM 1185 NE ARG A 76 -21.467 21.970 -1.247 1.00 74.43 N ATOM 1186 CZ ARG A 76 -21.007 22.909 -0.429 1.00 51.42 C ATOM 1187 NH1 ARG A 76 -20.048 23.732 -0.832 1.00 32.14 N ATOM 1188 NH2 ARG A 76 -21.507 23.028 0.794 1.00 4.34 N ATOM 0 H ARG A 76 -22.199 17.011 -2.668 1.00 23.13 H new ATOM 0 HA ARG A 76 -20.551 18.725 -4.202 1.00 44.14 H new ATOM 0 HB2 ARG A 76 -22.920 19.012 -3.034 1.00 13.50 H new ATOM 0 HB3 ARG A 76 -21.962 19.581 -1.681 1.00 13.50 H new ATOM 0 HG2 ARG A 76 -21.484 20.742 -4.423 1.00 10.25 H new ATOM 0 HG3 ARG A 76 -22.868 21.274 -3.489 1.00 10.25 H new ATOM 0 HD2 ARG A 76 -19.966 21.357 -2.571 1.00 14.35 H new ATOM 0 HD3 ARG A 76 -20.906 22.733 -3.114 1.00 14.35 H new ATOM 0 HE ARG A 76 -22.205 21.354 -0.907 1.00 74.43 H new ATOM 0 HH11 ARG A 76 -19.662 23.644 -1.772 1.00 32.14 H new ATOM 0 HH12 ARG A 76 -19.696 24.453 -0.202 1.00 32.14 H new ATOM 0 HH21 ARG A 76 -22.246 22.398 1.107 1.00 4.34 H new ATOM 0 HH22 ARG A 76 -21.153 23.750 1.422 1.00 4.34 H new ATOM 1202 N SER A 77 -19.644 18.171 -1.085 1.00 24.35 N ATOM 1203 CA SER A 77 -18.546 18.320 -0.136 1.00 60.42 C ATOM 1204 C SER A 77 -17.258 17.727 -0.699 1.00 44.41 C ATOM 1205 O SER A 77 -16.187 18.327 -0.593 1.00 64.32 O ATOM 1206 CB SER A 77 -18.895 17.642 1.191 1.00 42.44 C ATOM 1207 OG SER A 77 -19.883 16.643 1.009 1.00 53.42 O ATOM 0 H SER A 77 -20.413 17.589 -0.752 1.00 24.35 H new ATOM 0 HA SER A 77 -18.390 19.385 0.038 1.00 60.42 H new ATOM 0 HB2 SER A 77 -17.998 17.197 1.622 1.00 42.44 H new ATOM 0 HB3 SER A 77 -19.254 18.388 1.901 1.00 42.44 H new ATOM 0 HG SER A 77 -20.087 16.224 1.871 1.00 53.42 H new ATOM 1213 N LEU A 78 -17.369 16.547 -1.298 1.00 20.21 N ATOM 1214 CA LEU A 78 -16.214 15.871 -1.879 1.00 3.43 C ATOM 1215 C LEU A 78 -15.512 16.768 -2.894 1.00 10.24 C ATOM 1216 O LEU A 78 -14.316 17.036 -2.778 1.00 41.21 O ATOM 1217 CB LEU A 78 -16.645 14.565 -2.547 1.00 42.05 C ATOM 1218 CG LEU A 78 -16.333 13.282 -1.777 1.00 22.31 C ATOM 1219 CD1 LEU A 78 -14.847 13.196 -1.462 1.00 74.21 C ATOM 1220 CD2 LEU A 78 -17.156 13.214 -0.499 1.00 24.34 C ATOM 0 H LEU A 78 -18.248 16.038 -1.394 1.00 20.21 H new ATOM 0 HA LEU A 78 -15.513 15.646 -1.075 1.00 3.43 H new ATOM 0 HB2 LEU A 78 -17.720 14.607 -2.722 1.00 42.05 H new ATOM 0 HB3 LEU A 78 -16.165 14.504 -3.524 1.00 42.05 H new ATOM 0 HG LEU A 78 -16.600 12.431 -2.403 1.00 22.31 H new ATOM 0 HD11 LEU A 78 -14.644 12.276 -0.914 1.00 74.21 H new ATOM 0 HD12 LEU A 78 -14.277 13.198 -2.391 1.00 74.21 H new ATOM 0 HD13 LEU A 78 -14.554 14.053 -0.855 1.00 74.21 H new ATOM 0 HD21 LEU A 78 -16.921 12.294 0.037 1.00 24.34 H new ATOM 0 HD22 LEU A 78 -16.920 14.071 0.132 1.00 24.34 H new ATOM 0 HD23 LEU A 78 -18.217 13.228 -0.748 1.00 24.34 H new ATOM 1232 N TYR A 79 -16.264 17.231 -3.886 1.00 71.41 N ATOM 1233 CA TYR A 79 -15.714 18.097 -4.922 1.00 15.43 C ATOM 1234 C TYR A 79 -14.887 19.223 -4.308 1.00 31.42 C ATOM 1235 O TYR A 79 -13.808 19.553 -4.798 1.00 30.25 O ATOM 1236 CB TYR A 79 -16.840 18.684 -5.775 1.00 41.14 C ATOM 1237 CG TYR A 79 -16.404 19.068 -7.171 1.00 61.03 C ATOM 1238 CD1 TYR A 79 -15.756 20.273 -7.411 1.00 44.14 C ATOM 1239 CD2 TYR A 79 -16.640 18.225 -8.250 1.00 64.33 C ATOM 1240 CE1 TYR A 79 -15.356 20.628 -8.685 1.00 53.03 C ATOM 1241 CE2 TYR A 79 -16.242 18.571 -9.527 1.00 74.24 C ATOM 1242 CZ TYR A 79 -15.602 19.774 -9.740 1.00 23.41 C ATOM 1243 OH TYR A 79 -15.204 20.123 -11.010 1.00 72.11 O ATOM 0 H TYR A 79 -17.256 17.021 -3.995 1.00 71.41 H new ATOM 0 HA TYR A 79 -15.062 17.495 -5.555 1.00 15.43 H new ATOM 0 HB2 TYR A 79 -17.650 17.957 -5.843 1.00 41.14 H new ATOM 0 HB3 TYR A 79 -17.243 19.564 -5.274 1.00 41.14 H new ATOM 0 HD1 TYR A 79 -15.561 20.944 -6.587 1.00 44.14 H new ATOM 0 HD2 TYR A 79 -17.143 17.283 -8.088 1.00 64.33 H new ATOM 0 HE1 TYR A 79 -14.853 21.569 -8.854 1.00 53.03 H new ATOM 0 HE2 TYR A 79 -16.431 17.903 -10.354 1.00 74.24 H new ATOM 0 HH TYR A 79 -14.574 19.454 -11.351 1.00 72.11 H new ATOM 1253 N ASN A 80 -15.402 19.807 -3.231 1.00 11.20 N ATOM 1254 CA ASN A 80 -14.712 20.896 -2.548 1.00 70.35 C ATOM 1255 C ASN A 80 -13.342 20.444 -2.050 1.00 55.05 C ATOM 1256 O ASN A 80 -12.313 20.987 -2.453 1.00 24.53 O ATOM 1257 CB ASN A 80 -15.552 21.403 -1.375 1.00 0.33 C ATOM 1258 CG ASN A 80 -16.082 22.805 -1.607 1.00 13.02 C ATOM 1259 OD1 ASN A 80 -16.374 23.191 -2.739 1.00 33.32 O ATOM 1260 ND2 ASN A 80 -16.209 23.575 -0.532 1.00 61.12 N ATOM 0 H ASN A 80 -16.294 19.545 -2.812 1.00 11.20 H new ATOM 0 HA ASN A 80 -14.570 21.708 -3.262 1.00 70.35 H new ATOM 0 HB2 ASN A 80 -16.389 20.724 -1.210 1.00 0.33 H new ATOM 0 HB3 ASN A 80 -14.948 21.391 -0.467 1.00 0.33 H new ATOM 0 HD21 ASN A 80 -16.561 24.528 -0.626 1.00 61.12 H new ATOM 0 HD22 ASN A 80 -15.955 23.213 0.387 1.00 61.12 H new ATOM 1267 N THR A 81 -13.338 19.446 -1.172 1.00 63.01 N ATOM 1268 CA THR A 81 -12.096 18.921 -0.618 1.00 40.14 C ATOM 1269 C THR A 81 -11.117 18.544 -1.724 1.00 41.23 C ATOM 1270 O THR A 81 -9.979 19.015 -1.745 1.00 71.54 O ATOM 1271 CB THR A 81 -12.353 17.687 0.267 1.00 70.13 C ATOM 1272 OG1 THR A 81 -13.388 17.971 1.215 1.00 71.24 O ATOM 1273 CG2 THR A 81 -11.086 17.274 1.000 1.00 30.23 C ATOM 0 H THR A 81 -14.181 18.985 -0.829 1.00 63.01 H new ATOM 0 HA THR A 81 -11.663 19.713 -0.007 1.00 40.14 H new ATOM 0 HB THR A 81 -12.666 16.865 -0.376 1.00 70.13 H new ATOM 0 HG1 THR A 81 -14.258 17.738 0.829 1.00 71.24 H new ATOM 0 HG21 THR A 81 -11.292 16.401 1.619 1.00 30.23 H new ATOM 0 HG22 THR A 81 -10.309 17.030 0.275 1.00 30.23 H new ATOM 0 HG23 THR A 81 -10.747 18.095 1.632 1.00 30.23 H new ATOM 1281 N ILE A 82 -11.566 17.694 -2.641 1.00 51.24 N ATOM 1282 CA ILE A 82 -10.729 17.256 -3.751 1.00 51.25 C ATOM 1283 C ILE A 82 -10.107 18.446 -4.474 1.00 12.40 C ATOM 1284 O ILE A 82 -8.935 18.415 -4.848 1.00 73.04 O ATOM 1285 CB ILE A 82 -11.531 16.417 -4.764 1.00 43.10 C ATOM 1286 CG1 ILE A 82 -12.154 15.202 -4.073 1.00 5.30 C ATOM 1287 CG2 ILE A 82 -10.636 15.978 -5.914 1.00 14.30 C ATOM 1288 CD1 ILE A 82 -13.557 14.893 -4.545 1.00 30.44 C ATOM 0 H ILE A 82 -12.505 17.295 -2.637 1.00 51.24 H new ATOM 0 HA ILE A 82 -9.938 16.639 -3.325 1.00 51.25 H new ATOM 0 HB ILE A 82 -12.334 17.033 -5.169 1.00 43.10 H new ATOM 0 HG12 ILE A 82 -11.521 14.332 -4.246 1.00 5.30 H new ATOM 0 HG13 ILE A 82 -12.171 15.375 -2.997 1.00 5.30 H new ATOM 0 HG21 ILE A 82 -11.217 15.386 -6.622 1.00 14.30 H new ATOM 0 HG22 ILE A 82 -10.235 16.857 -6.419 1.00 14.30 H new ATOM 0 HG23 ILE A 82 -9.814 15.376 -5.526 1.00 14.30 H new ATOM 0 HD11 ILE A 82 -13.936 14.020 -4.013 1.00 30.44 H new ATOM 0 HD12 ILE A 82 -14.204 15.748 -4.347 1.00 30.44 H new ATOM 0 HD13 ILE A 82 -13.544 14.688 -5.615 1.00 30.44 H new ATOM 1300 N ALA A 83 -10.900 19.496 -4.665 1.00 21.11 N ATOM 1301 CA ALA A 83 -10.426 20.698 -5.339 1.00 12.41 C ATOM 1302 C ALA A 83 -9.173 21.248 -4.665 1.00 71.45 C ATOM 1303 O ALA A 83 -8.200 21.598 -5.333 1.00 60.33 O ATOM 1304 CB ALA A 83 -11.521 21.755 -5.364 1.00 4.11 C ATOM 0 H ALA A 83 -11.873 19.538 -4.362 1.00 21.11 H new ATOM 0 HA ALA A 83 -10.168 20.432 -6.364 1.00 12.41 H new ATOM 0 HB1 ALA A 83 -11.154 22.648 -5.870 1.00 4.11 H new ATOM 0 HB2 ALA A 83 -12.389 21.367 -5.897 1.00 4.11 H new ATOM 0 HB3 ALA A 83 -11.806 22.008 -4.343 1.00 4.11 H new ATOM 1310 N VAL A 84 -9.204 21.321 -3.339 1.00 2.34 N ATOM 1311 CA VAL A 84 -8.070 21.828 -2.575 1.00 30.14 C ATOM 1312 C VAL A 84 -6.878 20.882 -2.667 1.00 73.31 C ATOM 1313 O VAL A 84 -5.753 21.307 -2.930 1.00 5.24 O ATOM 1314 CB VAL A 84 -8.437 22.030 -1.093 1.00 13.15 C ATOM 1315 CG1 VAL A 84 -7.254 22.595 -0.321 1.00 71.32 C ATOM 1316 CG2 VAL A 84 -9.651 22.939 -0.964 1.00 24.42 C ATOM 0 H VAL A 84 -10.002 21.036 -2.771 1.00 2.34 H new ATOM 0 HA VAL A 84 -7.801 22.791 -3.010 1.00 30.14 H new ATOM 0 HB VAL A 84 -8.690 21.060 -0.664 1.00 13.15 H new ATOM 0 HG11 VAL A 84 -7.533 22.731 0.724 1.00 71.32 H new ATOM 0 HG12 VAL A 84 -6.414 21.904 -0.386 1.00 71.32 H new ATOM 0 HG13 VAL A 84 -6.967 23.556 -0.748 1.00 71.32 H new ATOM 0 HG21 VAL A 84 -9.896 23.071 0.090 1.00 24.42 H new ATOM 0 HG22 VAL A 84 -9.428 23.909 -1.409 1.00 24.42 H new ATOM 0 HG23 VAL A 84 -10.499 22.489 -1.480 1.00 24.42 H new ATOM 1326 N LEU A 85 -7.133 19.596 -2.450 1.00 44.13 N ATOM 1327 CA LEU A 85 -6.080 18.587 -2.510 1.00 14.33 C ATOM 1328 C LEU A 85 -5.408 18.582 -3.879 1.00 4.35 C ATOM 1329 O LEU A 85 -4.196 18.771 -3.986 1.00 64.45 O ATOM 1330 CB LEU A 85 -6.656 17.203 -2.207 1.00 32.14 C ATOM 1331 CG LEU A 85 -5.679 16.183 -1.621 1.00 11.12 C ATOM 1332 CD1 LEU A 85 -6.083 15.810 -0.203 1.00 1.53 C ATOM 1333 CD2 LEU A 85 -5.610 14.944 -2.501 1.00 35.41 C ATOM 0 H LEU A 85 -8.059 19.227 -2.231 1.00 44.13 H new ATOM 0 HA LEU A 85 -5.330 18.834 -1.759 1.00 14.33 H new ATOM 0 HB2 LEU A 85 -7.487 17.322 -1.511 1.00 32.14 H new ATOM 0 HB3 LEU A 85 -7.068 16.793 -3.129 1.00 32.14 H new ATOM 0 HG LEU A 85 -4.688 16.636 -1.587 1.00 11.12 H new ATOM 0 HD11 LEU A 85 -5.376 15.083 0.197 1.00 1.53 H new ATOM 0 HD12 LEU A 85 -6.080 16.702 0.423 1.00 1.53 H new ATOM 0 HD13 LEU A 85 -7.083 15.377 -0.212 1.00 1.53 H new ATOM 0 HD21 LEU A 85 -4.910 14.229 -2.069 1.00 35.41 H new ATOM 0 HD22 LEU A 85 -6.598 14.489 -2.567 1.00 35.41 H new ATOM 0 HD23 LEU A 85 -5.272 15.225 -3.499 1.00 35.41 H new ATOM 1345 N TYR A 86 -6.202 18.368 -4.921 1.00 62.34 N ATOM 1346 CA TYR A 86 -5.683 18.338 -6.284 1.00 11.12 C ATOM 1347 C TYR A 86 -4.714 19.492 -6.523 1.00 23.42 C ATOM 1348 O TYR A 86 -3.621 19.298 -7.056 1.00 44.24 O ATOM 1349 CB TYR A 86 -6.832 18.406 -7.291 1.00 33.00 C ATOM 1350 CG TYR A 86 -6.375 18.606 -8.718 1.00 75.44 C ATOM 1351 CD1 TYR A 86 -5.783 17.570 -9.431 1.00 12.14 C ATOM 1352 CD2 TYR A 86 -6.537 19.830 -9.355 1.00 52.02 C ATOM 1353 CE1 TYR A 86 -5.364 17.749 -10.735 1.00 23.55 C ATOM 1354 CE2 TYR A 86 -6.122 20.017 -10.660 1.00 0.14 C ATOM 1355 CZ TYR A 86 -5.535 18.974 -11.345 1.00 34.43 C ATOM 1356 OH TYR A 86 -5.120 19.155 -12.644 1.00 72.11 O ATOM 0 H TYR A 86 -7.208 18.213 -4.849 1.00 62.34 H new ATOM 0 HA TYR A 86 -5.144 17.400 -6.420 1.00 11.12 H new ATOM 0 HB2 TYR A 86 -7.413 17.485 -7.230 1.00 33.00 H new ATOM 0 HB3 TYR A 86 -7.499 19.222 -7.014 1.00 33.00 H new ATOM 0 HD1 TYR A 86 -5.648 16.609 -8.957 1.00 12.14 H new ATOM 0 HD2 TYR A 86 -6.995 20.650 -8.821 1.00 52.02 H new ATOM 0 HE1 TYR A 86 -4.905 16.934 -11.274 1.00 23.55 H new ATOM 0 HE2 TYR A 86 -6.257 20.975 -11.141 1.00 0.14 H new ATOM 0 HH TYR A 86 -4.400 19.819 -12.668 1.00 72.11 H new ATOM 1366 N CYS A 87 -5.122 20.691 -6.124 1.00 20.13 N ATOM 1367 CA CYS A 87 -4.291 21.877 -6.294 1.00 3.42 C ATOM 1368 C CYS A 87 -2.933 21.690 -5.625 1.00 2.40 C ATOM 1369 O CYS A 87 -1.893 21.991 -6.212 1.00 32.11 O ATOM 1370 CB CYS A 87 -4.994 23.106 -5.714 1.00 23.52 C ATOM 1371 SG CYS A 87 -5.925 24.066 -6.930 1.00 44.41 S ATOM 0 H CYS A 87 -6.023 20.868 -5.680 1.00 20.13 H new ATOM 0 HA CYS A 87 -4.132 22.029 -7.362 1.00 3.42 H new ATOM 0 HB2 CYS A 87 -5.673 22.784 -4.924 1.00 23.52 H new ATOM 0 HB3 CYS A 87 -4.249 23.752 -5.250 1.00 23.52 H new ATOM 0 HG CYS A 87 -6.485 25.082 -6.344 1.00 44.41 H new ATOM 1377 N VAL A 88 -2.950 21.193 -4.392 1.00 44.42 N ATOM 1378 CA VAL A 88 -1.720 20.967 -3.643 1.00 22.35 C ATOM 1379 C VAL A 88 -0.704 20.191 -4.474 1.00 35.31 C ATOM 1380 O VAL A 88 0.470 20.556 -4.539 1.00 32.11 O ATOM 1381 CB VAL A 88 -1.992 20.198 -2.336 1.00 75.42 C ATOM 1382 CG1 VAL A 88 -0.702 19.992 -1.558 1.00 63.22 C ATOM 1383 CG2 VAL A 88 -3.023 20.932 -1.491 1.00 63.33 C ATOM 0 H VAL A 88 -3.802 20.939 -3.891 1.00 44.42 H new ATOM 0 HA VAL A 88 -1.313 21.949 -3.401 1.00 22.35 H new ATOM 0 HB VAL A 88 -2.395 19.217 -2.589 1.00 75.42 H new ATOM 0 HG11 VAL A 88 -0.915 19.447 -0.638 1.00 63.22 H new ATOM 0 HG12 VAL A 88 0.001 19.420 -2.164 1.00 63.22 H new ATOM 0 HG13 VAL A 88 -0.266 20.961 -1.313 1.00 63.22 H new ATOM 0 HG21 VAL A 88 -3.203 20.375 -0.572 1.00 63.33 H new ATOM 0 HG22 VAL A 88 -2.651 21.927 -1.246 1.00 63.33 H new ATOM 0 HG23 VAL A 88 -3.955 21.021 -2.050 1.00 63.33 H new ATOM 1393 N HIS A 89 -1.165 19.118 -5.109 1.00 65.43 N ATOM 1394 CA HIS A 89 -0.297 18.289 -5.939 1.00 64.31 C ATOM 1395 C HIS A 89 0.261 19.092 -7.111 1.00 25.32 C ATOM 1396 O HIS A 89 1.435 18.892 -7.424 1.00 33.10 O ATOM 1397 CB HIS A 89 -1.062 17.072 -6.459 1.00 75.22 C ATOM 1398 CG HIS A 89 -1.532 16.151 -5.374 1.00 45.34 C ATOM 1399 ND1 HIS A 89 -0.834 15.952 -4.202 1.00 43.31 N ATOM 1400 CD2 HIS A 89 -2.637 15.374 -5.289 1.00 4.42 C ATOM 1401 CE1 HIS A 89 -1.489 15.092 -3.443 1.00 40.20 C ATOM 1402 NE2 HIS A 89 -2.587 14.727 -4.080 1.00 32.14 N ATOM 0 H HIS A 89 -2.134 18.802 -5.065 1.00 65.43 H new ATOM 0 HA HIS A 89 0.536 17.949 -5.324 1.00 64.31 H new ATOM 0 HB2 HIS A 89 -1.923 17.413 -7.033 1.00 75.22 H new ATOM 0 HB3 HIS A 89 -0.422 16.516 -7.144 1.00 75.22 H new ATOM 0 HD1 HIS A 89 0.050 16.399 -3.959 1.00 43.31 H new ATOM 0 HD2 HIS A 89 -3.413 15.281 -6.034 1.00 4.42 H new ATOM 0 HE1 HIS A 89 -1.180 14.746 -2.468 1.00 40.20 H new ATOM 1411 N GLN A 90 -0.519 19.962 -7.743 1.00 12.23 N ATOM 1412 CA GLN A 90 -0.030 20.750 -8.867 1.00 44.35 C ATOM 1413 C GLN A 90 0.777 21.950 -8.381 1.00 52.24 C ATOM 1414 O GLN A 90 1.031 22.887 -9.138 1.00 64.04 O ATOM 1415 CB GLN A 90 -1.199 21.223 -9.733 1.00 45.43 C ATOM 1416 CG GLN A 90 -0.772 21.762 -11.089 1.00 52.42 C ATOM 1417 CD GLN A 90 -1.922 21.839 -12.074 1.00 61.15 C ATOM 1418 OE1 GLN A 90 -3.007 21.315 -11.822 1.00 13.45 O ATOM 1419 NE2 GLN A 90 -1.689 22.494 -13.206 1.00 75.20 N ATOM 0 H GLN A 90 -1.493 20.139 -7.496 1.00 12.23 H new ATOM 0 HA GLN A 90 0.623 20.115 -9.466 1.00 44.35 H new ATOM 0 HB2 GLN A 90 -1.889 20.393 -9.882 1.00 45.43 H new ATOM 0 HB3 GLN A 90 -1.746 22.000 -9.198 1.00 45.43 H new ATOM 0 HG2 GLN A 90 -0.340 22.755 -10.962 1.00 52.42 H new ATOM 0 HG3 GLN A 90 0.011 21.124 -11.499 1.00 52.42 H new ATOM 0 HE21 GLN A 90 -0.774 22.913 -13.374 1.00 75.20 H new ATOM 0 HE22 GLN A 90 -2.425 22.578 -13.907 1.00 75.20 H new ATOM 1428 N ARG A 91 1.175 21.915 -7.114 1.00 63.20 N ATOM 1429 CA ARG A 91 1.951 23.000 -6.527 1.00 4.24 C ATOM 1430 C ARG A 91 1.092 24.249 -6.349 1.00 64.32 C ATOM 1431 O ARG A 91 1.526 25.361 -6.652 1.00 61.44 O ATOM 1432 CB ARG A 91 3.163 23.322 -7.404 1.00 11.14 C ATOM 1433 CG ARG A 91 4.360 23.838 -6.623 1.00 25.45 C ATOM 1434 CD ARG A 91 5.623 23.060 -6.961 1.00 12.11 C ATOM 1435 NE ARG A 91 5.958 23.151 -8.379 1.00 42.44 N ATOM 1436 CZ ARG A 91 6.862 22.379 -8.972 1.00 74.31 C ATOM 1437 NH1 ARG A 91 7.516 21.462 -8.273 1.00 1.03 N ATOM 1438 NH2 ARG A 91 7.111 22.522 -10.267 1.00 64.24 N ATOM 0 H ARG A 91 0.973 21.147 -6.474 1.00 63.20 H new ATOM 0 HA ARG A 91 2.297 22.675 -5.546 1.00 4.24 H new ATOM 0 HB2 ARG A 91 3.455 22.424 -7.949 1.00 11.14 H new ATOM 0 HB3 ARG A 91 2.876 24.067 -8.147 1.00 11.14 H new ATOM 0 HG2 ARG A 91 4.512 24.895 -6.844 1.00 25.45 H new ATOM 0 HG3 ARG A 91 4.159 23.761 -5.554 1.00 25.45 H new ATOM 0 HD2 ARG A 91 6.454 23.441 -6.367 1.00 12.11 H new ATOM 0 HD3 ARG A 91 5.489 22.014 -6.687 1.00 12.11 H new ATOM 0 HE ARG A 91 5.471 23.846 -8.946 1.00 42.44 H new ATOM 0 HH11 ARG A 91 7.326 21.348 -7.277 1.00 1.03 H new ATOM 0 HH12 ARG A 91 8.210 20.871 -8.731 1.00 1.03 H new ATOM 0 HH21 ARG A 91 6.608 23.225 -10.808 1.00 64.24 H new ATOM 0 HH22 ARG A 91 7.805 21.929 -10.721 1.00 64.24 H new ATOM 1452 N ILE A 92 -0.127 24.057 -5.857 1.00 62.41 N ATOM 1453 CA ILE A 92 -1.046 25.167 -5.639 1.00 62.22 C ATOM 1454 C ILE A 92 -1.528 25.205 -4.193 1.00 53.21 C ATOM 1455 O ILE A 92 -1.781 24.165 -3.584 1.00 41.44 O ATOM 1456 CB ILE A 92 -2.267 25.079 -6.574 1.00 23.12 C ATOM 1457 CG1 ILE A 92 -1.839 25.286 -8.028 1.00 40.32 C ATOM 1458 CG2 ILE A 92 -3.316 26.105 -6.173 1.00 4.41 C ATOM 1459 CD1 ILE A 92 -2.616 24.441 -9.013 1.00 11.11 C ATOM 0 H ILE A 92 -0.501 23.143 -5.602 1.00 62.41 H new ATOM 0 HA ILE A 92 -0.495 26.081 -5.860 1.00 62.22 H new ATOM 0 HB ILE A 92 -2.706 24.085 -6.482 1.00 23.12 H new ATOM 0 HG12 ILE A 92 -1.961 26.337 -8.288 1.00 40.32 H new ATOM 0 HG13 ILE A 92 -0.778 25.056 -8.122 1.00 40.32 H new ATOM 0 HG21 ILE A 92 -4.173 26.030 -6.843 1.00 4.41 H new ATOM 0 HG22 ILE A 92 -3.638 25.915 -5.149 1.00 4.41 H new ATOM 0 HG23 ILE A 92 -2.890 27.106 -6.239 1.00 4.41 H new ATOM 0 HD11 ILE A 92 -2.259 24.640 -10.024 1.00 11.11 H new ATOM 0 HD12 ILE A 92 -2.474 23.386 -8.779 1.00 11.11 H new ATOM 0 HD13 ILE A 92 -3.676 24.688 -8.947 1.00 11.11 H new ATOM 1471 N ASP A 93 -1.656 26.411 -3.650 1.00 22.33 N ATOM 1472 CA ASP A 93 -2.111 26.586 -2.275 1.00 73.45 C ATOM 1473 C ASP A 93 -3.163 27.688 -2.188 1.00 24.54 C ATOM 1474 O ASP A 93 -2.988 28.671 -1.468 1.00 44.12 O ATOM 1475 CB ASP A 93 -0.930 26.917 -1.362 1.00 61.33 C ATOM 1476 CG ASP A 93 -0.112 28.085 -1.875 1.00 44.40 C ATOM 1477 OD1 ASP A 93 0.702 27.879 -2.799 1.00 5.00 O ATOM 1478 OD2 ASP A 93 -0.285 29.206 -1.352 1.00 5.33 O ATOM 0 H ASP A 93 -1.451 27.282 -4.141 1.00 22.33 H new ATOM 0 HA ASP A 93 -2.562 25.650 -1.945 1.00 73.45 H new ATOM 0 HB2 ASP A 93 -1.300 27.147 -0.363 1.00 61.33 H new ATOM 0 HB3 ASP A 93 -0.289 26.040 -1.270 1.00 61.33 H new ATOM 1483 N VAL A 94 -4.255 27.517 -2.925 1.00 70.55 N ATOM 1484 CA VAL A 94 -5.335 28.496 -2.931 1.00 41.11 C ATOM 1485 C VAL A 94 -5.550 29.085 -1.541 1.00 73.43 C ATOM 1486 O VAL A 94 -5.452 28.382 -0.535 1.00 73.21 O ATOM 1487 CB VAL A 94 -6.655 27.874 -3.423 1.00 61.52 C ATOM 1488 CG1 VAL A 94 -6.518 27.399 -4.862 1.00 20.12 C ATOM 1489 CG2 VAL A 94 -7.076 26.729 -2.513 1.00 44.34 C ATOM 0 H VAL A 94 -4.415 26.709 -3.526 1.00 70.55 H new ATOM 0 HA VAL A 94 -5.039 29.289 -3.617 1.00 41.11 H new ATOM 0 HB VAL A 94 -7.431 28.639 -3.390 1.00 61.52 H new ATOM 0 HG11 VAL A 94 -7.461 26.962 -5.192 1.00 20.12 H new ATOM 0 HG12 VAL A 94 -6.266 28.245 -5.502 1.00 20.12 H new ATOM 0 HG13 VAL A 94 -5.729 26.649 -4.924 1.00 20.12 H new ATOM 0 HG21 VAL A 94 -8.011 26.301 -2.875 1.00 44.34 H new ATOM 0 HG22 VAL A 94 -6.302 25.962 -2.512 1.00 44.34 H new ATOM 0 HG23 VAL A 94 -7.217 27.103 -1.499 1.00 44.34 H new ATOM 1499 N LYS A 95 -5.845 30.379 -1.492 1.00 40.22 N ATOM 1500 CA LYS A 95 -6.077 31.064 -0.226 1.00 43.21 C ATOM 1501 C LYS A 95 -7.174 30.371 0.575 1.00 60.41 C ATOM 1502 O LYS A 95 -7.223 30.478 1.800 1.00 13.13 O ATOM 1503 CB LYS A 95 -6.458 32.525 -0.475 1.00 55.14 C ATOM 1504 CG LYS A 95 -5.472 33.520 0.111 1.00 11.11 C ATOM 1505 CD LYS A 95 -6.099 34.894 0.280 1.00 73.23 C ATOM 1506 CE LYS A 95 -5.424 35.928 -0.609 1.00 34.53 C ATOM 1507 NZ LYS A 95 -5.838 35.790 -2.033 1.00 24.53 N ATOM 0 H LYS A 95 -5.929 30.975 -2.315 1.00 40.22 H new ATOM 0 HA LYS A 95 -5.153 31.029 0.351 1.00 43.21 H new ATOM 0 HB2 LYS A 95 -6.536 32.693 -1.549 1.00 55.14 H new ATOM 0 HB3 LYS A 95 -7.445 32.712 -0.051 1.00 55.14 H new ATOM 0 HG2 LYS A 95 -5.120 33.159 1.077 1.00 11.11 H new ATOM 0 HG3 LYS A 95 -4.600 33.595 -0.538 1.00 11.11 H new ATOM 0 HD2 LYS A 95 -7.161 34.843 0.039 1.00 73.23 H new ATOM 0 HD3 LYS A 95 -6.024 35.204 1.322 1.00 73.23 H new ATOM 0 HE2 LYS A 95 -5.671 36.929 -0.254 1.00 34.53 H new ATOM 0 HE3 LYS A 95 -4.342 35.821 -0.533 1.00 34.53 H new ATOM 0 HZ1 LYS A 95 -5.357 36.512 -2.606 1.00 24.53 H new ATOM 0 HZ2 LYS A 95 -5.580 34.844 -2.380 1.00 24.53 H new ATOM 0 HZ3 LYS A 95 -6.867 35.917 -2.109 1.00 24.53 H new ATOM 1521 N ASP A 96 -8.051 29.659 -0.125 1.00 25.43 N ATOM 1522 CA ASP A 96 -9.146 28.945 0.522 1.00 43.11 C ATOM 1523 C ASP A 96 -9.832 27.999 -0.458 1.00 64.25 C ATOM 1524 O ASP A 96 -9.533 28.001 -1.653 1.00 51.23 O ATOM 1525 CB ASP A 96 -10.163 29.936 1.090 1.00 30.33 C ATOM 1526 CG ASP A 96 -10.456 31.077 0.136 1.00 64.31 C ATOM 1527 OD1 ASP A 96 -11.036 30.817 -0.939 1.00 54.31 O ATOM 1528 OD2 ASP A 96 -10.105 32.229 0.464 1.00 3.12 O ATOM 0 H ASP A 96 -8.025 29.561 -1.140 1.00 25.43 H new ATOM 0 HA ASP A 96 -8.730 28.354 1.338 1.00 43.11 H new ATOM 0 HB2 ASP A 96 -11.090 29.410 1.318 1.00 30.33 H new ATOM 0 HB3 ASP A 96 -9.786 30.340 2.030 1.00 30.33 H new ATOM 1533 N THR A 97 -10.752 27.189 0.055 1.00 75.45 N ATOM 1534 CA THR A 97 -11.479 26.235 -0.775 1.00 12.45 C ATOM 1535 C THR A 97 -12.316 26.950 -1.829 1.00 53.21 C ATOM 1536 O THR A 97 -12.799 26.332 -2.778 1.00 63.31 O ATOM 1537 CB THR A 97 -12.400 25.340 0.075 1.00 33.32 C ATOM 1538 OG1 THR A 97 -11.654 24.741 1.140 1.00 32.45 O ATOM 1539 CG2 THR A 97 -13.036 24.253 -0.779 1.00 15.33 C ATOM 0 H THR A 97 -11.012 27.174 1.041 1.00 75.45 H new ATOM 0 HA THR A 97 -10.733 25.612 -1.269 1.00 12.45 H new ATOM 0 HB THR A 97 -13.192 25.963 0.492 1.00 33.32 H new ATOM 0 HG1 THR A 97 -11.327 25.440 1.744 1.00 32.45 H new ATOM 0 HG21 THR A 97 -13.682 23.633 -0.157 1.00 15.33 H new ATOM 0 HG22 THR A 97 -13.627 24.712 -1.572 1.00 15.33 H new ATOM 0 HG23 THR A 97 -12.255 23.634 -1.221 1.00 15.33 H new ATOM 1547 N LYS A 98 -12.485 28.257 -1.658 1.00 20.01 N ATOM 1548 CA LYS A 98 -13.262 29.058 -2.596 1.00 74.11 C ATOM 1549 C LYS A 98 -12.449 29.372 -3.848 1.00 0.25 C ATOM 1550 O LYS A 98 -12.937 29.226 -4.968 1.00 5.42 O ATOM 1551 CB LYS A 98 -13.719 30.359 -1.932 1.00 20.23 C ATOM 1552 CG LYS A 98 -15.229 30.514 -1.872 1.00 23.11 C ATOM 1553 CD LYS A 98 -15.647 31.967 -2.027 1.00 24.41 C ATOM 1554 CE LYS A 98 -16.027 32.287 -3.464 1.00 73.43 C ATOM 1555 NZ LYS A 98 -14.834 32.351 -4.353 1.00 72.20 N ATOM 0 H LYS A 98 -12.094 28.784 -0.877 1.00 20.01 H new ATOM 0 HA LYS A 98 -14.138 28.480 -2.889 1.00 74.11 H new ATOM 0 HB2 LYS A 98 -13.317 30.401 -0.920 1.00 20.23 H new ATOM 0 HB3 LYS A 98 -13.297 31.203 -2.477 1.00 20.23 H new ATOM 0 HG2 LYS A 98 -15.689 29.916 -2.659 1.00 23.11 H new ATOM 0 HG3 LYS A 98 -15.598 30.128 -0.922 1.00 23.11 H new ATOM 0 HD2 LYS A 98 -16.492 32.176 -1.371 1.00 24.41 H new ATOM 0 HD3 LYS A 98 -14.831 32.617 -1.712 1.00 24.41 H new ATOM 0 HE2 LYS A 98 -16.716 31.528 -3.835 1.00 73.43 H new ATOM 0 HE3 LYS A 98 -16.555 33.240 -3.496 1.00 73.43 H new ATOM 0 HZ1 LYS A 98 -15.134 32.588 -5.320 1.00 72.20 H new ATOM 0 HZ2 LYS A 98 -14.180 33.081 -4.005 1.00 72.20 H new ATOM 0 HZ3 LYS A 98 -14.353 31.429 -4.356 1.00 72.20 H new ATOM 1569 N GLU A 99 -11.207 29.802 -3.648 1.00 50.52 N ATOM 1570 CA GLU A 99 -10.327 30.136 -4.762 1.00 1.12 C ATOM 1571 C GLU A 99 -9.953 28.886 -5.554 1.00 15.24 C ATOM 1572 O GLU A 99 -9.478 28.974 -6.685 1.00 52.43 O ATOM 1573 CB GLU A 99 -9.061 30.827 -4.251 1.00 23.20 C ATOM 1574 CG GLU A 99 -9.016 32.316 -4.551 1.00 70.43 C ATOM 1575 CD GLU A 99 -10.127 33.083 -3.862 1.00 0.43 C ATOM 1576 OE1 GLU A 99 -11.295 32.942 -4.282 1.00 24.52 O ATOM 1577 OE2 GLU A 99 -9.829 33.826 -2.903 1.00 33.10 O ATOM 0 H GLU A 99 -10.788 29.927 -2.726 1.00 50.52 H new ATOM 0 HA GLU A 99 -10.863 30.817 -5.423 1.00 1.12 H new ATOM 0 HB2 GLU A 99 -8.987 30.680 -3.174 1.00 23.20 H new ATOM 0 HB3 GLU A 99 -8.190 30.348 -4.699 1.00 23.20 H new ATOM 0 HG2 GLU A 99 -8.053 32.717 -4.236 1.00 70.43 H new ATOM 0 HG3 GLU A 99 -9.088 32.468 -5.628 1.00 70.43 H new ATOM 1584 N ALA A 100 -10.172 27.723 -4.949 1.00 62.12 N ATOM 1585 CA ALA A 100 -9.860 26.455 -5.597 1.00 51.01 C ATOM 1586 C ALA A 100 -10.942 26.071 -6.600 1.00 73.54 C ATOM 1587 O ALA A 100 -10.654 25.491 -7.648 1.00 71.04 O ATOM 1588 CB ALA A 100 -9.689 25.358 -4.556 1.00 40.43 C ATOM 0 H ALA A 100 -10.564 27.633 -4.012 1.00 62.12 H new ATOM 0 HA ALA A 100 -8.923 26.574 -6.141 1.00 51.01 H new ATOM 0 HB1 ALA A 100 -9.456 24.417 -5.054 1.00 40.43 H new ATOM 0 HB2 ALA A 100 -8.876 25.622 -3.880 1.00 40.43 H new ATOM 0 HB3 ALA A 100 -10.612 25.249 -3.987 1.00 40.43 H new ATOM 1594 N LEU A 101 -12.188 26.396 -6.273 1.00 70.42 N ATOM 1595 CA LEU A 101 -13.315 26.084 -7.146 1.00 25.50 C ATOM 1596 C LEU A 101 -13.359 27.034 -8.338 1.00 71.34 C ATOM 1597 O LEU A 101 -13.737 26.642 -9.443 1.00 3.41 O ATOM 1598 CB LEU A 101 -14.628 26.165 -6.365 1.00 64.44 C ATOM 1599 CG LEU A 101 -15.525 24.928 -6.432 1.00 11.44 C ATOM 1600 CD1 LEU A 101 -15.948 24.652 -7.866 1.00 13.11 C ATOM 1601 CD2 LEU A 101 -14.813 23.720 -5.842 1.00 21.05 C ATOM 0 H LEU A 101 -12.444 26.875 -5.410 1.00 70.42 H new ATOM 0 HA LEU A 101 -13.184 25.068 -7.519 1.00 25.50 H new ATOM 0 HB2 LEU A 101 -14.394 26.364 -5.319 1.00 64.44 H new ATOM 0 HB3 LEU A 101 -15.194 27.021 -6.733 1.00 64.44 H new ATOM 0 HG LEU A 101 -16.421 25.121 -5.842 1.00 11.44 H new ATOM 0 HD11 LEU A 101 -16.586 23.768 -7.894 1.00 13.11 H new ATOM 0 HD12 LEU A 101 -16.498 25.509 -8.254 1.00 13.11 H new ATOM 0 HD13 LEU A 101 -15.064 24.481 -8.480 1.00 13.11 H new ATOM 0 HD21 LEU A 101 -15.466 22.849 -5.898 1.00 21.05 H new ATOM 0 HD22 LEU A 101 -13.900 23.525 -6.404 1.00 21.05 H new ATOM 0 HD23 LEU A 101 -14.562 23.919 -4.800 1.00 21.05 H new ATOM 1613 N ASP A 102 -12.969 28.283 -8.108 1.00 33.52 N ATOM 1614 CA ASP A 102 -12.961 29.288 -9.164 1.00 14.33 C ATOM 1615 C ASP A 102 -11.809 29.048 -10.134 1.00 52.32 C ATOM 1616 O ASP A 102 -11.914 29.345 -11.325 1.00 24.24 O ATOM 1617 CB ASP A 102 -12.854 30.690 -8.561 1.00 42.14 C ATOM 1618 CG ASP A 102 -14.056 31.554 -8.888 1.00 44.52 C ATOM 1619 OD1 ASP A 102 -15.183 31.165 -8.520 1.00 55.31 O ATOM 1620 OD2 ASP A 102 -13.868 32.620 -9.513 1.00 35.22 O ATOM 0 H ASP A 102 -12.654 28.623 -7.199 1.00 33.52 H new ATOM 0 HA ASP A 102 -13.898 29.208 -9.715 1.00 14.33 H new ATOM 0 HB2 ASP A 102 -12.751 30.610 -7.479 1.00 42.14 H new ATOM 0 HB3 ASP A 102 -11.951 31.174 -8.932 1.00 42.14 H new ATOM 1625 N LYS A 103 -10.710 28.510 -9.618 1.00 5.55 N ATOM 1626 CA LYS A 103 -9.537 28.230 -10.437 1.00 64.10 C ATOM 1627 C LYS A 103 -9.815 27.092 -11.414 1.00 40.10 C ATOM 1628 O LYS A 103 -9.214 27.022 -12.486 1.00 71.35 O ATOM 1629 CB LYS A 103 -8.342 27.873 -9.549 1.00 52.33 C ATOM 1630 CG LYS A 103 -7.227 28.904 -9.588 1.00 22.44 C ATOM 1631 CD LYS A 103 -7.478 30.034 -8.604 1.00 50.31 C ATOM 1632 CE LYS A 103 -6.826 31.329 -9.065 1.00 54.01 C ATOM 1633 NZ LYS A 103 -7.444 31.845 -10.318 1.00 64.04 N ATOM 0 H LYS A 103 -10.607 28.259 -8.635 1.00 5.55 H new ATOM 0 HA LYS A 103 -9.302 29.128 -11.009 1.00 64.10 H new ATOM 0 HB2 LYS A 103 -8.685 27.760 -8.521 1.00 52.33 H new ATOM 0 HB3 LYS A 103 -7.944 26.907 -9.861 1.00 52.33 H new ATOM 0 HG2 LYS A 103 -6.277 28.423 -9.356 1.00 22.44 H new ATOM 0 HG3 LYS A 103 -7.141 29.310 -10.596 1.00 22.44 H new ATOM 0 HD2 LYS A 103 -8.551 30.186 -8.489 1.00 50.31 H new ATOM 0 HD3 LYS A 103 -7.089 29.758 -7.624 1.00 50.31 H new ATOM 0 HE2 LYS A 103 -6.915 32.080 -8.280 1.00 54.01 H new ATOM 0 HE3 LYS A 103 -5.761 31.162 -9.227 1.00 54.01 H new ATOM 0 HZ1 LYS A 103 -7.318 32.876 -10.368 1.00 64.04 H new ATOM 0 HZ2 LYS A 103 -6.987 31.400 -11.139 1.00 64.04 H new ATOM 0 HZ3 LYS A 103 -8.459 31.620 -10.322 1.00 64.04 H new ATOM 1647 N ILE A 104 -10.730 26.205 -11.037 1.00 5.01 N ATOM 1648 CA ILE A 104 -11.089 25.073 -11.882 1.00 25.34 C ATOM 1649 C ILE A 104 -12.375 25.348 -12.652 1.00 73.22 C ATOM 1650 O ILE A 104 -12.657 24.700 -13.659 1.00 72.34 O ATOM 1651 CB ILE A 104 -11.265 23.786 -11.053 1.00 45.14 C ATOM 1652 CG1 ILE A 104 -9.989 23.483 -10.264 1.00 13.31 C ATOM 1653 CG2 ILE A 104 -11.623 22.618 -11.960 1.00 20.24 C ATOM 1654 CD1 ILE A 104 -10.158 22.380 -9.243 1.00 15.32 C ATOM 0 H ILE A 104 -11.236 26.249 -10.152 1.00 5.01 H new ATOM 0 HA ILE A 104 -10.270 24.933 -12.587 1.00 25.34 H new ATOM 0 HB ILE A 104 -12.080 23.935 -10.345 1.00 45.14 H new ATOM 0 HG12 ILE A 104 -9.198 23.204 -10.961 1.00 13.31 H new ATOM 0 HG13 ILE A 104 -9.661 24.390 -9.756 1.00 13.31 H new ATOM 0 HG21 ILE A 104 -11.744 21.716 -11.361 1.00 20.24 H new ATOM 0 HG22 ILE A 104 -12.555 22.835 -12.482 1.00 20.24 H new ATOM 0 HG23 ILE A 104 -10.827 22.465 -12.688 1.00 20.24 H new ATOM 0 HD11 ILE A 104 -9.214 22.219 -8.722 1.00 15.32 H new ATOM 0 HD12 ILE A 104 -10.926 22.665 -8.524 1.00 15.32 H new ATOM 0 HD13 ILE A 104 -10.456 21.460 -9.747 1.00 15.32 H new ATOM 1666 N GLU A 105 -13.151 26.315 -12.172 1.00 71.30 N ATOM 1667 CA GLU A 105 -14.408 26.676 -12.817 1.00 42.12 C ATOM 1668 C GLU A 105 -14.183 27.737 -13.891 1.00 22.01 C ATOM 1669 O GLU A 105 -14.787 27.688 -14.961 1.00 55.54 O ATOM 1670 CB GLU A 105 -15.410 27.188 -11.781 1.00 10.43 C ATOM 1671 CG GLU A 105 -16.133 26.080 -11.034 1.00 55.31 C ATOM 1672 CD GLU A 105 -17.271 25.481 -11.838 1.00 40.32 C ATOM 1673 OE1 GLU A 105 -18.397 26.015 -11.760 1.00 53.44 O ATOM 1674 OE2 GLU A 105 -17.035 24.479 -12.545 1.00 35.15 O ATOM 0 H GLU A 105 -12.931 26.862 -11.339 1.00 71.30 H new ATOM 0 HA GLU A 105 -14.813 25.782 -13.292 1.00 42.12 H new ATOM 0 HB2 GLU A 105 -14.886 27.818 -11.062 1.00 10.43 H new ATOM 0 HB3 GLU A 105 -16.146 27.818 -12.280 1.00 10.43 H new ATOM 0 HG2 GLU A 105 -15.421 25.295 -10.778 1.00 55.31 H new ATOM 0 HG3 GLU A 105 -16.524 26.474 -10.096 1.00 55.31 H new ATOM 1681 N GLU A 106 -13.309 28.694 -13.595 1.00 11.21 N ATOM 1682 CA GLU A 106 -13.006 29.767 -14.534 1.00 45.51 C ATOM 1683 C GLU A 106 -12.547 29.203 -15.876 1.00 32.03 C ATOM 1684 O GLU A 106 -12.888 29.733 -16.932 1.00 53.34 O ATOM 1685 CB GLU A 106 -11.926 30.688 -13.960 1.00 71.50 C ATOM 1686 CG GLU A 106 -11.742 31.975 -14.746 1.00 72.43 C ATOM 1687 CD GLU A 106 -10.458 31.988 -15.552 1.00 24.31 C ATOM 1688 OE1 GLU A 106 -9.400 31.638 -14.987 1.00 11.03 O ATOM 1689 OE2 GLU A 106 -10.509 32.347 -16.746 1.00 53.54 O ATOM 0 H GLU A 106 -12.799 28.748 -12.713 1.00 11.21 H new ATOM 0 HA GLU A 106 -13.918 30.343 -14.694 1.00 45.51 H new ATOM 0 HB2 GLU A 106 -12.181 30.935 -12.930 1.00 71.50 H new ATOM 0 HB3 GLU A 106 -10.978 30.150 -13.933 1.00 71.50 H new ATOM 0 HG2 GLU A 106 -12.590 32.110 -15.418 1.00 72.43 H new ATOM 0 HG3 GLU A 106 -11.743 32.820 -14.058 1.00 72.43 H new ATOM 1696 N GLU A 107 -11.772 28.124 -15.824 1.00 2.45 N ATOM 1697 CA GLU A 107 -11.266 27.489 -17.034 1.00 43.05 C ATOM 1698 C GLU A 107 -12.414 27.045 -17.936 1.00 64.43 C ATOM 1699 O GLU A 107 -12.293 27.055 -19.161 1.00 33.20 O ATOM 1700 CB GLU A 107 -10.388 26.287 -16.678 1.00 11.31 C ATOM 1701 CG GLU A 107 -9.216 26.088 -17.624 1.00 21.32 C ATOM 1702 CD GLU A 107 -9.617 26.199 -19.082 1.00 33.01 C ATOM 1703 OE1 GLU A 107 -10.364 25.319 -19.560 1.00 13.44 O ATOM 1704 OE2 GLU A 107 -9.185 27.164 -19.745 1.00 3.51 O ATOM 0 H GLU A 107 -11.481 27.672 -14.957 1.00 2.45 H new ATOM 0 HA GLU A 107 -10.665 28.221 -17.573 1.00 43.05 H new ATOM 0 HB2 GLU A 107 -10.008 26.413 -15.664 1.00 11.31 H new ATOM 0 HB3 GLU A 107 -11.002 25.386 -16.679 1.00 11.31 H new ATOM 0 HG2 GLU A 107 -8.447 26.829 -17.405 1.00 21.32 H new ATOM 0 HG3 GLU A 107 -8.773 25.108 -17.447 1.00 21.32 H new ATOM 1711 N GLN A 108 -13.525 26.655 -17.321 1.00 31.44 N ATOM 1712 CA GLN A 108 -14.694 26.205 -18.067 1.00 50.24 C ATOM 1713 C GLN A 108 -15.641 27.368 -18.348 1.00 64.40 C ATOM 1714 O GLN A 108 -16.393 27.347 -19.321 1.00 34.42 O ATOM 1715 CB GLN A 108 -15.429 25.109 -17.294 1.00 61.23 C ATOM 1716 CG GLN A 108 -16.573 24.479 -18.072 1.00 31.42 C ATOM 1717 CD GLN A 108 -16.092 23.628 -19.231 1.00 53.21 C ATOM 1718 OE1 GLN A 108 -15.720 22.468 -19.053 1.00 13.14 O ATOM 1719 NE2 GLN A 108 -16.098 24.202 -20.429 1.00 24.13 N ATOM 0 H GLN A 108 -13.641 26.641 -16.308 1.00 31.44 H new ATOM 0 HA GLN A 108 -14.352 25.800 -19.019 1.00 50.24 H new ATOM 0 HB2 GLN A 108 -14.717 24.331 -17.017 1.00 61.23 H new ATOM 0 HB3 GLN A 108 -15.819 25.529 -16.367 1.00 61.23 H new ATOM 0 HG2 GLN A 108 -17.170 23.865 -17.398 1.00 31.42 H new ATOM 0 HG3 GLN A 108 -17.226 25.265 -18.450 1.00 31.42 H new ATOM 0 HE21 GLN A 108 -16.415 25.166 -20.531 1.00 24.13 H new ATOM 0 HE22 GLN A 108 -15.786 23.678 -21.247 1.00 24.13 H new ATOM 1728 N ASN A 109 -15.597 28.381 -17.489 1.00 20.43 N ATOM 1729 CA ASN A 109 -16.452 29.552 -17.644 1.00 21.01 C ATOM 1730 C ASN A 109 -16.142 30.283 -18.947 1.00 20.22 C ATOM 1731 O ASN A 109 -17.041 30.797 -19.613 1.00 31.43 O ATOM 1732 CB ASN A 109 -16.271 30.502 -16.458 1.00 33.31 C ATOM 1733 CG ASN A 109 -17.595 30.939 -15.861 1.00 41.41 C ATOM 1734 OD1 ASN A 109 -17.973 32.108 -15.950 1.00 63.34 O ATOM 1735 ND2 ASN A 109 -18.306 30.001 -15.248 1.00 35.23 N ATOM 0 H ASN A 109 -14.979 28.415 -16.679 1.00 20.43 H new ATOM 0 HA ASN A 109 -17.488 29.213 -17.675 1.00 21.01 H new ATOM 0 HB2 ASN A 109 -15.674 30.011 -15.690 1.00 33.31 H new ATOM 0 HB3 ASN A 109 -15.714 31.381 -16.782 1.00 33.31 H new ATOM 0 HD21 ASN A 109 -19.205 30.236 -14.827 1.00 35.23 H new ATOM 0 HD22 ASN A 109 -17.954 29.045 -15.198 1.00 35.23 H new ATOM 1742 N LYS A 110 -14.863 30.325 -19.305 1.00 73.03 N ATOM 1743 CA LYS A 110 -14.433 30.991 -20.529 1.00 62.51 C ATOM 1744 C LYS A 110 -15.209 30.468 -21.734 1.00 45.32 C ATOM 1745 O LYS A 110 -15.629 31.241 -22.596 1.00 32.54 O ATOM 1746 CB LYS A 110 -12.932 30.783 -20.746 1.00 52.02 C ATOM 1747 CG LYS A 110 -12.065 31.762 -19.974 1.00 42.45 C ATOM 1748 CD LYS A 110 -11.714 32.979 -20.815 1.00 32.22 C ATOM 1749 CE LYS A 110 -11.216 34.128 -19.952 1.00 24.44 C ATOM 1750 NZ LYS A 110 -12.338 34.952 -19.423 1.00 44.14 N ATOM 0 H LYS A 110 -14.106 29.906 -18.765 1.00 73.03 H new ATOM 0 HA LYS A 110 -14.635 32.057 -20.424 1.00 62.51 H new ATOM 0 HB2 LYS A 110 -12.668 29.767 -20.452 1.00 52.02 H new ATOM 0 HB3 LYS A 110 -12.711 30.875 -21.809 1.00 52.02 H new ATOM 0 HG2 LYS A 110 -12.588 32.080 -19.072 1.00 42.45 H new ATOM 0 HG3 LYS A 110 -11.150 31.264 -19.653 1.00 42.45 H new ATOM 0 HD2 LYS A 110 -10.948 32.711 -21.543 1.00 32.22 H new ATOM 0 HD3 LYS A 110 -12.591 33.299 -21.378 1.00 32.22 H new ATOM 0 HE2 LYS A 110 -10.633 33.731 -19.121 1.00 24.44 H new ATOM 0 HE3 LYS A 110 -10.547 34.759 -20.538 1.00 24.44 H new ATOM 0 HZ1 LYS A 110 -11.957 35.724 -18.840 1.00 44.14 H new ATOM 0 HZ2 LYS A 110 -12.879 35.352 -20.216 1.00 44.14 H new ATOM 0 HZ3 LYS A 110 -12.963 34.356 -18.843 1.00 44.14 H new ATOM 1764 N SER A 111 -15.395 29.153 -21.787 1.00 54.45 N ATOM 1765 CA SER A 111 -16.119 28.528 -22.888 1.00 41.24 C ATOM 1766 C SER A 111 -17.616 28.802 -22.780 1.00 43.51 C ATOM 1767 O SER A 111 -18.298 28.999 -23.786 1.00 44.52 O ATOM 1768 CB SER A 111 -15.865 27.020 -22.902 1.00 20.51 C ATOM 1769 OG SER A 111 -16.771 26.358 -23.767 1.00 73.40 O ATOM 0 H SER A 111 -15.055 28.500 -21.081 1.00 54.45 H new ATOM 0 HA SER A 111 -15.755 28.960 -23.820 1.00 41.24 H new ATOM 0 HB2 SER A 111 -14.842 26.823 -23.223 1.00 20.51 H new ATOM 0 HB3 SER A 111 -15.965 26.622 -21.892 1.00 20.51 H new ATOM 0 HG SER A 111 -16.587 25.396 -23.759 1.00 73.40 H new ATOM 1775 N LYS A 112 -18.121 28.814 -21.551 1.00 73.34 N ATOM 1776 CA LYS A 112 -19.537 29.065 -21.308 1.00 62.22 C ATOM 1777 C LYS A 112 -19.913 30.489 -21.705 1.00 21.20 C ATOM 1778 O LYS A 112 -20.685 30.700 -22.640 1.00 51.53 O ATOM 1779 CB LYS A 112 -19.872 28.830 -19.834 1.00 24.35 C ATOM 1780 CG LYS A 112 -20.834 27.677 -19.604 1.00 65.35 C ATOM 1781 CD LYS A 112 -20.094 26.389 -19.282 1.00 41.12 C ATOM 1782 CE LYS A 112 -20.205 26.037 -17.807 1.00 5.24 C ATOM 1783 NZ LYS A 112 -19.679 24.673 -17.521 1.00 10.53 N ATOM 0 H LYS A 112 -17.571 28.653 -20.707 1.00 73.34 H new ATOM 0 HA LYS A 112 -20.114 28.372 -21.920 1.00 62.22 H new ATOM 0 HB2 LYS A 112 -18.949 28.637 -19.287 1.00 24.35 H new ATOM 0 HB3 LYS A 112 -20.304 29.741 -19.419 1.00 24.35 H new ATOM 0 HG2 LYS A 112 -21.510 27.924 -18.785 1.00 65.35 H new ATOM 0 HG3 LYS A 112 -21.449 27.532 -20.492 1.00 65.35 H new ATOM 0 HD2 LYS A 112 -20.500 25.575 -19.883 1.00 41.12 H new ATOM 0 HD3 LYS A 112 -19.044 26.494 -19.554 1.00 41.12 H new ATOM 0 HE2 LYS A 112 -19.655 26.770 -17.216 1.00 5.24 H new ATOM 0 HE3 LYS A 112 -21.248 26.096 -17.497 1.00 5.24 H new ATOM 0 HZ1 LYS A 112 -20.461 24.054 -17.228 1.00 10.53 H new ATOM 0 HZ2 LYS A 112 -19.233 24.286 -18.377 1.00 10.53 H new ATOM 0 HZ3 LYS A 112 -18.975 24.726 -16.758 1.00 10.53 H new ATOM 1797 N LYS A 113 -19.361 31.463 -20.989 1.00 72.21 N ATOM 1798 CA LYS A 113 -19.636 32.867 -21.268 1.00 1.44 C ATOM 1799 C LYS A 113 -19.425 33.180 -22.746 1.00 11.45 C ATOM 1800 O LYS A 113 -20.013 34.120 -23.282 1.00 72.31 O ATOM 1801 CB LYS A 113 -18.737 33.763 -20.412 1.00 51.44 C ATOM 1802 CG LYS A 113 -19.501 34.798 -19.604 1.00 75.24 C ATOM 1803 CD LYS A 113 -19.425 34.509 -18.115 1.00 14.04 C ATOM 1804 CE LYS A 113 -19.691 35.759 -17.290 1.00 52.32 C ATOM 1805 NZ LYS A 113 -18.549 36.085 -16.392 1.00 21.41 N ATOM 0 H LYS A 113 -18.720 31.305 -20.211 1.00 72.21 H new ATOM 0 HA LYS A 113 -20.679 33.064 -21.019 1.00 1.44 H new ATOM 0 HB2 LYS A 113 -18.158 33.138 -19.732 1.00 51.44 H new ATOM 0 HB3 LYS A 113 -18.025 34.274 -21.060 1.00 51.44 H new ATOM 0 HG2 LYS A 113 -19.095 35.790 -19.804 1.00 75.24 H new ATOM 0 HG3 LYS A 113 -20.544 34.811 -19.920 1.00 75.24 H new ATOM 0 HD2 LYS A 113 -20.151 33.739 -17.855 1.00 14.04 H new ATOM 0 HD3 LYS A 113 -18.439 34.113 -17.870 1.00 14.04 H new ATOM 0 HE2 LYS A 113 -19.880 36.600 -17.957 1.00 52.32 H new ATOM 0 HE3 LYS A 113 -20.592 35.616 -16.694 1.00 52.32 H new ATOM 0 HZ1 LYS A 113 -18.770 36.943 -15.847 1.00 21.41 H new ATOM 0 HZ2 LYS A 113 -18.384 35.293 -15.739 1.00 21.41 H new ATOM 0 HZ3 LYS A 113 -17.694 36.247 -16.962 1.00 21.41 H new ATOM 1819 N LYS A 114 -18.584 32.387 -23.399 1.00 64.05 N ATOM 1820 CA LYS A 114 -18.297 32.577 -24.816 1.00 62.24 C ATOM 1821 C LYS A 114 -19.404 31.982 -25.680 1.00 72.32 C ATOM 1822 O LYS A 114 -20.035 32.685 -26.469 1.00 44.10 O ATOM 1823 CB LYS A 114 -16.955 31.936 -25.177 1.00 5.15 C ATOM 1824 CG LYS A 114 -15.767 32.864 -24.987 1.00 52.21 C ATOM 1825 CD LYS A 114 -15.779 33.999 -25.998 1.00 34.33 C ATOM 1826 CE LYS A 114 -14.389 34.266 -26.552 1.00 44.32 C ATOM 1827 NZ LYS A 114 -13.496 34.889 -25.535 1.00 73.42 N ATOM 0 H LYS A 114 -18.088 31.606 -22.970 1.00 64.05 H new ATOM 0 HA LYS A 114 -18.245 33.648 -25.009 1.00 62.24 H new ATOM 0 HB2 LYS A 114 -16.811 31.045 -24.565 1.00 5.15 H new ATOM 0 HB3 LYS A 114 -16.986 31.608 -26.216 1.00 5.15 H new ATOM 0 HG2 LYS A 114 -15.783 33.275 -23.977 1.00 52.21 H new ATOM 0 HG3 LYS A 114 -14.841 32.297 -25.086 1.00 52.21 H new ATOM 0 HD2 LYS A 114 -16.456 33.752 -26.815 1.00 34.33 H new ATOM 0 HD3 LYS A 114 -16.164 34.903 -25.527 1.00 34.33 H new ATOM 0 HE2 LYS A 114 -13.949 33.330 -26.896 1.00 44.32 H new ATOM 0 HE3 LYS A 114 -14.464 34.921 -27.420 1.00 44.32 H new ATOM 0 HZ1 LYS A 114 -12.558 35.055 -25.952 1.00 73.42 H new ATOM 0 HZ2 LYS A 114 -13.902 35.795 -25.225 1.00 73.42 H new ATOM 0 HZ3 LYS A 114 -13.404 34.253 -24.718 1.00 73.42 H new ATOM 1841 N ALA A 115 -19.636 30.682 -25.524 1.00 54.54 N ATOM 1842 CA ALA A 115 -20.670 29.994 -26.288 1.00 11.25 C ATOM 1843 C ALA A 115 -22.019 30.688 -26.133 1.00 75.55 C ATOM 1844 O ALA A 115 -22.839 30.681 -27.052 1.00 23.22 O ATOM 1845 CB ALA A 115 -20.769 28.540 -25.851 1.00 3.13 C ATOM 0 H ALA A 115 -19.122 30.085 -24.876 1.00 54.54 H new ATOM 0 HA ALA A 115 -20.392 30.027 -27.342 1.00 11.25 H new ATOM 0 HB1 ALA A 115 -21.545 28.038 -26.429 1.00 3.13 H new ATOM 0 HB2 ALA A 115 -19.813 28.044 -26.019 1.00 3.13 H new ATOM 0 HB3 ALA A 115 -21.020 28.495 -24.791 1.00 3.13 H new ATOM 1851 N GLN A 116 -22.243 31.284 -24.967 1.00 34.10 N ATOM 1852 CA GLN A 116 -23.495 31.980 -24.693 1.00 41.34 C ATOM 1853 C GLN A 116 -23.324 33.488 -24.849 1.00 33.22 C ATOM 1854 O GLN A 116 -23.773 34.074 -25.833 1.00 73.24 O ATOM 1855 CB GLN A 116 -23.987 31.654 -23.282 1.00 70.54 C ATOM 1856 CG GLN A 116 -24.628 30.280 -23.164 1.00 52.25 C ATOM 1857 CD GLN A 116 -23.720 29.267 -22.496 1.00 45.34 C ATOM 1858 OE1 GLN A 116 -23.057 29.570 -21.504 1.00 1.23 O ATOM 1859 NE2 GLN A 116 -23.684 28.056 -23.038 1.00 64.44 N ATOM 0 H GLN A 116 -21.574 31.299 -24.197 1.00 34.10 H new ATOM 0 HA GLN A 116 -24.236 31.639 -25.416 1.00 41.34 H new ATOM 0 HB2 GLN A 116 -23.147 31.715 -22.590 1.00 70.54 H new ATOM 0 HB3 GLN A 116 -24.709 32.410 -22.974 1.00 70.54 H new ATOM 0 HG2 GLN A 116 -25.554 30.363 -22.595 1.00 52.25 H new ATOM 0 HG3 GLN A 116 -24.896 29.922 -24.158 1.00 52.25 H new ATOM 0 HE21 GLN A 116 -24.250 27.848 -23.861 1.00 64.44 H new ATOM 0 HE22 GLN A 116 -23.090 27.333 -22.632 1.00 64.44 H new ATOM 1868 N GLN A 117 -22.673 34.109 -23.870 1.00 73.34 N ATOM 1869 CA GLN A 117 -22.445 35.548 -23.899 1.00 1.50 C ATOM 1870 C GLN A 117 -23.760 36.305 -24.051 1.00 12.41 C ATOM 1871 O GLN A 117 -23.785 37.434 -24.542 1.00 30.35 O ATOM 1872 CB GLN A 117 -21.498 35.913 -25.043 1.00 43.34 C ATOM 1873 CG GLN A 117 -20.685 37.171 -24.783 1.00 3.12 C ATOM 1874 CD GLN A 117 -20.239 37.853 -26.061 1.00 43.01 C ATOM 1875 OE1 GLN A 117 -19.044 37.939 -26.349 1.00 34.44 O ATOM 1876 NE2 GLN A 117 -21.199 38.343 -26.837 1.00 65.10 N ATOM 0 H GLN A 117 -22.295 33.638 -23.048 1.00 73.34 H new ATOM 0 HA GLN A 117 -21.988 35.837 -22.952 1.00 1.50 H new ATOM 0 HB2 GLN A 117 -20.817 35.080 -25.219 1.00 43.34 H new ATOM 0 HB3 GLN A 117 -22.079 36.048 -25.955 1.00 43.34 H new ATOM 0 HG2 GLN A 117 -21.280 37.868 -24.193 1.00 3.12 H new ATOM 0 HG3 GLN A 117 -19.809 36.916 -24.187 1.00 3.12 H new ATOM 0 HE21 GLN A 117 -22.176 38.250 -26.560 1.00 65.10 H new ATOM 0 HE22 GLN A 117 -20.959 38.813 -27.710 1.00 65.10 H new ATOM 1885 N ALA A 118 -24.851 35.676 -23.627 1.00 55.41 N ATOM 1886 CA ALA A 118 -26.170 36.291 -23.715 1.00 11.33 C ATOM 1887 C ALA A 118 -27.207 35.479 -22.946 1.00 3.24 C ATOM 1888 O ALA A 118 -28.008 36.032 -22.193 1.00 22.15 O ATOM 1889 CB ALA A 118 -26.587 36.440 -25.170 1.00 54.32 C ATOM 0 H ALA A 118 -24.848 34.741 -23.219 1.00 55.41 H new ATOM 0 HA ALA A 118 -26.113 37.281 -23.262 1.00 11.33 H new ATOM 0 HB1 ALA A 118 -27.574 36.901 -25.220 1.00 54.32 H new ATOM 0 HB2 ALA A 118 -25.866 37.069 -25.693 1.00 54.32 H new ATOM 0 HB3 ALA A 118 -26.621 35.458 -25.641 1.00 54.32 H new ATOM 1895 N ALA A 119 -27.186 34.165 -23.141 1.00 62.12 N ATOM 1896 CA ALA A 119 -28.123 33.277 -22.465 1.00 31.11 C ATOM 1897 C ALA A 119 -27.502 32.677 -21.208 1.00 1.41 C ATOM 1898 O ALA A 119 -27.987 31.676 -20.681 1.00 43.34 O ATOM 1899 CB ALA A 119 -28.579 32.174 -23.408 1.00 74.32 C ATOM 0 H ALA A 119 -26.530 33.692 -23.762 1.00 62.12 H new ATOM 0 HA ALA A 119 -28.990 33.865 -22.165 1.00 31.11 H new ATOM 0 HB1 ALA A 119 -29.279 31.518 -22.890 1.00 74.32 H new ATOM 0 HB2 ALA A 119 -29.070 32.616 -24.275 1.00 74.32 H new ATOM 0 HB3 ALA A 119 -27.715 31.596 -23.736 1.00 74.32 H new ATOM 1905 N ALA A 120 -26.426 33.296 -20.732 1.00 61.14 N ATOM 1906 CA ALA A 120 -25.739 32.824 -19.536 1.00 74.45 C ATOM 1907 C ALA A 120 -25.681 33.913 -18.471 1.00 45.00 C ATOM 1908 O ALA A 120 -24.750 33.958 -17.666 1.00 62.04 O ATOM 1909 CB ALA A 120 -24.337 32.348 -19.886 1.00 40.20 C ATOM 0 H ALA A 120 -26.011 34.126 -21.157 1.00 61.14 H new ATOM 0 HA ALA A 120 -26.304 31.985 -19.129 1.00 74.45 H new ATOM 0 HB1 ALA A 120 -23.836 31.998 -18.984 1.00 40.20 H new ATOM 0 HB2 ALA A 120 -24.399 31.532 -20.606 1.00 40.20 H new ATOM 0 HB3 ALA A 120 -23.771 33.172 -20.320 1.00 40.20 H new ATOM 1915 N ASP A 121 -26.679 34.789 -18.472 1.00 1.30 N ATOM 1916 CA ASP A 121 -26.741 35.879 -17.505 1.00 23.03 C ATOM 1917 C ASP A 121 -28.009 36.705 -17.697 1.00 30.43 C ATOM 1918 O ASP A 121 -28.884 36.731 -16.830 1.00 63.51 O ATOM 1919 CB ASP A 121 -25.509 36.776 -17.635 1.00 62.14 C ATOM 1920 CG ASP A 121 -24.480 36.508 -16.555 1.00 30.44 C ATOM 1921 OD1 ASP A 121 -24.785 36.757 -15.369 1.00 53.04 O ATOM 1922 OD2 ASP A 121 -23.370 36.047 -16.894 1.00 10.42 O ATOM 0 H ASP A 121 -27.457 34.766 -19.132 1.00 1.30 H new ATOM 0 HA ASP A 121 -26.760 35.444 -16.506 1.00 23.03 H new ATOM 0 HB2 ASP A 121 -25.053 36.622 -18.613 1.00 62.14 H new ATOM 0 HB3 ASP A 121 -25.817 37.820 -17.588 1.00 62.14 H new ATOM 1927 N THR A 122 -28.102 37.380 -18.838 1.00 15.10 N ATOM 1928 CA THR A 122 -29.262 38.209 -19.143 1.00 70.41 C ATOM 1929 C THR A 122 -29.436 39.313 -18.107 1.00 52.43 C ATOM 1930 O THR A 122 -28.538 39.576 -17.309 1.00 10.32 O ATOM 1931 CB THR A 122 -30.552 37.369 -19.203 1.00 51.04 C ATOM 1932 OG1 THR A 122 -31.123 37.253 -17.895 1.00 64.12 O ATOM 1933 CG2 THR A 122 -30.270 35.983 -19.764 1.00 52.31 C ATOM 0 H THR A 122 -27.388 37.369 -19.566 1.00 15.10 H new ATOM 0 HA THR A 122 -29.083 38.657 -20.120 1.00 70.41 H new ATOM 0 HB THR A 122 -31.257 37.874 -19.863 1.00 51.04 H new ATOM 0 HG1 THR A 122 -30.549 36.688 -17.336 1.00 64.12 H new ATOM 0 HG21 THR A 122 -31.196 35.408 -19.797 1.00 52.31 H new ATOM 0 HG22 THR A 122 -29.864 36.074 -20.771 1.00 52.31 H new ATOM 0 HG23 THR A 122 -29.548 35.472 -19.126 1.00 52.31 H new ATOM 1941 N GLY A 123 -30.599 39.958 -18.126 1.00 32.34 N ATOM 1942 CA GLY A 123 -30.870 41.027 -17.182 1.00 61.23 C ATOM 1943 C GLY A 123 -31.614 40.542 -15.954 1.00 71.31 C ATOM 1944 O GLY A 123 -31.018 39.960 -15.049 1.00 31.12 O ATOM 0 H GLY A 123 -31.358 39.759 -18.778 1.00 32.34 H new ATOM 0 HA2 GLY A 123 -29.929 41.484 -16.876 1.00 61.23 H new ATOM 0 HA3 GLY A 123 -31.456 41.803 -17.675 1.00 61.23 H new ATOM 1948 N ASN A 124 -32.921 40.783 -15.922 1.00 63.01 N ATOM 1949 CA ASN A 124 -33.747 40.368 -14.794 1.00 51.42 C ATOM 1950 C ASN A 124 -34.617 39.172 -15.168 1.00 51.10 C ATOM 1951 O ASN A 124 -35.514 39.281 -16.003 1.00 13.15 O ATOM 1952 CB ASN A 124 -34.629 41.528 -14.327 1.00 42.45 C ATOM 1953 CG ASN A 124 -34.259 42.013 -12.939 1.00 12.31 C ATOM 1954 OD1 ASN A 124 -34.355 41.269 -11.963 1.00 72.43 O ATOM 1955 ND2 ASN A 124 -33.834 43.268 -12.844 1.00 61.32 N ATOM 0 H ASN A 124 -33.430 41.263 -16.664 1.00 63.01 H new ATOM 0 HA ASN A 124 -33.085 40.073 -13.980 1.00 51.42 H new ATOM 0 HB2 ASN A 124 -34.542 42.354 -15.033 1.00 42.45 H new ATOM 0 HB3 ASN A 124 -35.672 41.213 -14.333 1.00 42.45 H new ATOM 0 HD21 ASN A 124 -33.572 43.650 -11.935 1.00 61.32 H new ATOM 0 HD22 ASN A 124 -33.770 43.849 -13.680 1.00 61.32 H new ATOM 1962 N ASN A 125 -34.345 38.031 -14.543 1.00 43.03 N ATOM 1963 CA ASN A 125 -35.102 36.814 -14.810 1.00 74.21 C ATOM 1964 C ASN A 125 -34.647 35.679 -13.898 1.00 34.23 C ATOM 1965 O ASN A 125 -34.421 34.557 -14.351 1.00 42.10 O ATOM 1966 CB ASN A 125 -34.944 36.400 -16.275 1.00 13.43 C ATOM 1967 CG ASN A 125 -36.149 35.640 -16.794 1.00 21.50 C ATOM 1968 OD1 ASN A 125 -36.753 34.845 -16.073 1.00 53.32 O ATOM 1969 ND2 ASN A 125 -36.503 35.880 -18.051 1.00 72.41 N ATOM 0 H ASN A 125 -33.606 37.924 -13.848 1.00 43.03 H new ATOM 0 HA ASN A 125 -36.153 37.019 -14.609 1.00 74.21 H new ATOM 0 HB2 ASN A 125 -34.788 37.289 -16.886 1.00 13.43 H new ATOM 0 HB3 ASN A 125 -34.054 35.780 -16.381 1.00 13.43 H new ATOM 0 HD21 ASN A 125 -37.305 35.397 -18.456 1.00 72.41 H new ATOM 0 HD22 ASN A 125 -35.973 36.547 -18.612 1.00 72.41 H new ATOM 1976 N SER A 126 -34.517 35.979 -12.609 1.00 65.24 N ATOM 1977 CA SER A 126 -34.086 34.985 -11.633 1.00 64.01 C ATOM 1978 C SER A 126 -35.142 34.796 -10.548 1.00 64.44 C ATOM 1979 O SER A 126 -35.361 35.680 -9.721 1.00 31.42 O ATOM 1980 CB SER A 126 -32.757 35.404 -11.000 1.00 73.41 C ATOM 1981 OG SER A 126 -31.910 36.021 -11.954 1.00 11.14 O ATOM 0 H SER A 126 -34.704 36.902 -12.217 1.00 65.24 H new ATOM 0 HA SER A 126 -33.950 34.036 -12.152 1.00 64.01 H new ATOM 0 HB2 SER A 126 -32.944 36.093 -10.176 1.00 73.41 H new ATOM 0 HB3 SER A 126 -32.260 34.530 -10.579 1.00 73.41 H new ATOM 0 HG SER A 126 -31.068 36.281 -11.525 1.00 11.14 H new ATOM 1987 N GLN A 127 -35.792 33.636 -10.560 1.00 41.54 N ATOM 1988 CA GLN A 127 -36.826 33.331 -9.578 1.00 65.24 C ATOM 1989 C GLN A 127 -36.361 32.238 -8.621 1.00 2.51 C ATOM 1990 O GLN A 127 -35.429 31.492 -8.920 1.00 21.31 O ATOM 1991 CB GLN A 127 -38.113 32.896 -10.281 1.00 11.25 C ATOM 1992 CG GLN A 127 -38.674 33.945 -11.227 1.00 42.22 C ATOM 1993 CD GLN A 127 -39.030 35.238 -10.521 1.00 12.24 C ATOM 1994 OE1 GLN A 127 -40.128 35.382 -9.982 1.00 2.45 O ATOM 1995 NE2 GLN A 127 -38.102 36.188 -10.519 1.00 61.32 N ATOM 0 H GLN A 127 -35.621 32.893 -11.238 1.00 41.54 H new ATOM 0 HA GLN A 127 -37.023 34.235 -9.001 1.00 65.24 H new ATOM 0 HB2 GLN A 127 -37.920 31.981 -10.840 1.00 11.25 H new ATOM 0 HB3 GLN A 127 -38.865 32.658 -9.529 1.00 11.25 H new ATOM 0 HG2 GLN A 127 -37.943 34.152 -12.009 1.00 42.22 H new ATOM 0 HG3 GLN A 127 -39.562 33.548 -11.718 1.00 42.22 H new ATOM 0 HE21 GLN A 127 -37.206 36.026 -10.978 1.00 61.32 H new ATOM 0 HE22 GLN A 127 -38.286 37.079 -10.059 1.00 61.32 H new ATOM 2004 N VAL A 128 -37.016 32.151 -7.468 1.00 33.12 N ATOM 2005 CA VAL A 128 -36.671 31.149 -6.466 1.00 41.22 C ATOM 2006 C VAL A 128 -37.796 30.975 -5.453 1.00 32.24 C ATOM 2007 O VAL A 128 -38.457 31.941 -5.070 1.00 65.34 O ATOM 2008 CB VAL A 128 -35.377 31.524 -5.720 1.00 45.44 C ATOM 2009 CG1 VAL A 128 -35.561 32.823 -4.949 1.00 75.44 C ATOM 2010 CG2 VAL A 128 -34.953 30.398 -4.790 1.00 64.00 C ATOM 0 H VAL A 128 -37.789 32.762 -7.204 1.00 33.12 H new ATOM 0 HA VAL A 128 -36.516 30.210 -6.998 1.00 41.22 H new ATOM 0 HB VAL A 128 -34.586 31.675 -6.455 1.00 45.44 H new ATOM 0 HG11 VAL A 128 -34.636 33.071 -4.429 1.00 75.44 H new ATOM 0 HG12 VAL A 128 -35.814 33.625 -5.643 1.00 75.44 H new ATOM 0 HG13 VAL A 128 -36.365 32.704 -4.223 1.00 75.44 H new ATOM 0 HG21 VAL A 128 -34.037 30.680 -4.271 1.00 64.00 H new ATOM 0 HG22 VAL A 128 -35.741 30.213 -4.060 1.00 64.00 H new ATOM 0 HG23 VAL A 128 -34.777 29.493 -5.371 1.00 64.00 H new ATOM 2020 N SER A 129 -38.009 29.736 -5.020 1.00 50.03 N ATOM 2021 CA SER A 129 -39.057 29.434 -4.053 1.00 32.43 C ATOM 2022 C SER A 129 -38.649 28.268 -3.156 1.00 53.43 C ATOM 2023 O SER A 129 -38.625 27.117 -3.590 1.00 54.14 O ATOM 2024 CB SER A 129 -40.366 29.104 -4.773 1.00 61.31 C ATOM 2025 OG SER A 129 -41.057 28.053 -4.120 1.00 11.44 O ATOM 0 H SER A 129 -37.469 28.926 -5.324 1.00 50.03 H new ATOM 0 HA SER A 129 -39.206 30.315 -3.429 1.00 32.43 H new ATOM 0 HB2 SER A 129 -40.998 29.991 -4.810 1.00 61.31 H new ATOM 0 HB3 SER A 129 -40.156 28.820 -5.804 1.00 61.31 H new ATOM 0 HG SER A 129 -41.890 27.862 -4.599 1.00 11.44 H new ATOM 2031 N GLN A 130 -38.329 28.577 -1.904 1.00 12.41 N ATOM 2032 CA GLN A 130 -37.921 27.556 -0.946 1.00 54.40 C ATOM 2033 C GLN A 130 -39.130 26.790 -0.419 1.00 54.32 C ATOM 2034 O GLN A 130 -40.272 27.210 -0.604 1.00 2.22 O ATOM 2035 CB GLN A 130 -37.160 28.194 0.217 1.00 21.35 C ATOM 2036 CG GLN A 130 -37.975 29.220 0.989 1.00 63.44 C ATOM 2037 CD GLN A 130 -37.448 30.631 0.818 1.00 23.25 C ATOM 2038 OE1 GLN A 130 -38.141 31.507 0.301 1.00 35.30 O ATOM 2039 NE2 GLN A 130 -36.214 30.859 1.254 1.00 14.14 N ATOM 0 H GLN A 130 -38.344 29.525 -1.529 1.00 12.41 H new ATOM 0 HA GLN A 130 -37.264 26.853 -1.459 1.00 54.40 H new ATOM 0 HB2 GLN A 130 -36.836 27.410 0.902 1.00 21.35 H new ATOM 0 HB3 GLN A 130 -36.260 28.673 -0.168 1.00 21.35 H new ATOM 0 HG2 GLN A 130 -39.012 29.180 0.655 1.00 63.44 H new ATOM 0 HG3 GLN A 130 -37.971 28.960 2.048 1.00 63.44 H new ATOM 0 HE21 GLN A 130 -35.675 30.103 1.676 1.00 14.14 H new ATOM 0 HE22 GLN A 130 -35.806 31.790 1.166 1.00 14.14 H new ATOM 2048 N ASN A 131 -38.871 25.664 0.237 1.00 0.13 N ATOM 2049 CA ASN A 131 -39.939 24.839 0.790 1.00 25.42 C ATOM 2050 C ASN A 131 -40.203 25.197 2.249 1.00 13.33 C ATOM 2051 O ASN A 131 -39.683 26.190 2.760 1.00 74.14 O ATOM 2052 CB ASN A 131 -39.577 23.356 0.675 1.00 2.43 C ATOM 2053 CG ASN A 131 -38.526 22.938 1.685 1.00 31.45 C ATOM 2054 OD1 ASN A 131 -37.351 23.281 1.554 1.00 12.44 O ATOM 2055 ND2 ASN A 131 -38.946 22.191 2.700 1.00 24.03 N ATOM 0 H ASN A 131 -37.931 25.302 0.399 1.00 0.13 H new ATOM 0 HA ASN A 131 -40.846 25.031 0.217 1.00 25.42 H new ATOM 0 HB2 ASN A 131 -40.474 22.754 0.818 1.00 2.43 H new ATOM 0 HB3 ASN A 131 -39.212 23.151 -0.331 1.00 2.43 H new ATOM 0 HD21 ASN A 131 -38.285 21.878 3.411 1.00 24.03 H new ATOM 0 HD22 ASN A 131 -39.930 21.930 2.769 1.00 24.03 H new ATOM 2062 N TYR A 132 -41.014 24.383 2.915 1.00 32.21 N ATOM 2063 CA TYR A 132 -41.350 24.615 4.315 1.00 62.31 C ATOM 2064 C TYR A 132 -40.832 23.481 5.194 1.00 21.34 C ATOM 2065 O TYR A 132 -40.869 22.325 4.774 1.00 51.54 O ATOM 2066 CB TYR A 132 -42.864 24.754 4.482 1.00 61.30 C ATOM 2067 CG TYR A 132 -43.270 25.863 5.426 1.00 44.23 C ATOM 2068 CD1 TYR A 132 -43.124 25.721 6.800 1.00 24.42 C ATOM 2069 CD2 TYR A 132 -43.800 27.053 4.943 1.00 2.44 C ATOM 2070 CE1 TYR A 132 -43.494 26.731 7.666 1.00 5.24 C ATOM 2071 CE2 TYR A 132 -44.171 28.070 5.802 1.00 20.20 C ATOM 2072 CZ TYR A 132 -44.016 27.904 7.163 1.00 72.05 C ATOM 2073 OH TYR A 132 -44.386 28.914 8.021 1.00 31.43 O ATOM 0 H TYR A 132 -41.451 23.556 2.508 1.00 32.21 H new ATOM 0 HA TYR A 132 -40.870 25.542 4.629 1.00 62.31 H new ATOM 0 HB2 TYR A 132 -43.313 24.937 3.506 1.00 61.30 H new ATOM 0 HB3 TYR A 132 -43.269 23.810 4.848 1.00 61.30 H new ATOM 0 HD1 TYR A 132 -42.714 24.805 7.198 1.00 24.42 H new ATOM 0 HD2 TYR A 132 -43.924 27.185 3.878 1.00 2.44 H new ATOM 0 HE1 TYR A 132 -43.375 26.603 8.732 1.00 5.24 H new ATOM 0 HE2 TYR A 132 -44.580 28.990 5.410 1.00 20.20 H new ATOM 0 HH TYR A 132 -44.733 29.671 7.505 1.00 31.43 H new TER 2083 TYR A 132 HETATM 2084 P1 PBU A 300 -16.481 18.381 10.015 1.00 31.52 P HETATM 2085 P4 PBU A 300 -19.346 25.715 6.178 1.00 33.31 P HETATM 2086 P5 PBU A 300 -20.199 21.516 4.291 1.00 71.54 P HETATM 2087 C3' PBU A 300 -17.095 16.437 8.550 1.00 13.10 C HETATM 2088 C2' PBU A 300 -15.837 16.472 7.648 1.00 21.20 C HETATM 2089 O2' PBU A 300 -16.173 15.927 6.383 1.00 14.10 O HETATM 2090 C1' PBU A 300 -14.668 15.656 8.253 1.00 51.33 C HETATM 2091 O1' PBU A 300 -15.168 14.441 8.771 1.00 32.10 O HETATM 2092 C1 PBU A 300 -17.386 20.589 8.310 1.00 1.34 C HETATM 2093 O1 PBU A 300 -17.525 19.246 9.039 1.00 72.45 O HETATM 2094 C2 PBU A 300 -17.209 21.840 9.237 1.00 44.10 C HETATM 2095 O2 PBU A 300 -18.255 21.980 10.194 1.00 63.44 O HETATM 2096 C3 PBU A 300 -17.121 23.133 8.394 1.00 33.51 C HETATM 2097 O3 PBU A 300 -16.967 24.236 9.298 1.00 25.23 O HETATM 2098 C4 PBU A 300 -18.388 23.301 7.469 1.00 33.24 C HETATM 2099 O4 PBU A 300 -18.236 24.555 6.626 1.00 33.31 O HETATM 2100 C5 PBU A 300 -18.521 22.020 6.552 1.00 4.35 C HETATM 2101 O5 PBU A 300 -19.731 22.150 5.739 1.00 53.33 O HETATM 2102 C6 PBU A 300 -18.601 20.708 7.372 1.00 14.11 C HETATM 2103 O6 PBU A 300 -18.604 19.542 6.535 1.00 23.25 O HETATM 2104 C7 PBU A 300 -16.355 16.833 5.309 1.00 2.14 C HETATM 2105 O7 PBU A 300 -17.369 16.806 4.648 1.00 60.12 O HETATM 2106 C8 PBU A 300 -15.263 17.870 4.993 1.00 70.22 C HETATM 2107 C9 PBU A 300 -15.409 18.372 3.544 1.00 73.22 C HETATM 2108 C10 PBU A 300 -14.488 19.585 3.326 1.00 5.43 C HETATM 2109 C11 PBU A 300 -14.360 13.557 9.513 1.00 23.24 C HETATM 2110 O11 PBU A 300 -13.157 13.674 9.652 1.00 11.13 O HETATM 2111 C12 PBU A 300 -15.098 12.335 10.128 1.00 72.00 C HETATM 2112 C13 PBU A 300 -15.473 12.528 11.607 1.00 74.41 C HETATM 2113 C14 PBU A 300 -14.263 12.279 12.524 1.00 44.31 C HETATM 2114 O41 PBU A 300 -19.502 25.331 4.709 1.00 30.40 O HETATM 2115 O42 PBU A 300 -20.563 25.456 7.025 1.00 42.30 O HETATM 2116 O43 PBU A 300 -18.779 27.101 6.438 1.00 62.50 O HETATM 2117 O51 PBU A 300 -20.792 22.746 3.633 1.00 22.21 O HETATM 2118 O52 PBU A 300 -18.905 20.964 3.714 1.00 11.32 O HETATM 2119 O53 PBU A 300 -21.217 20.470 4.684 1.00 24.13 O HETATM 2120 OP1 PBU A 300 -16.820 16.929 9.845 1.00 44.01 O HETATM 2121 OP2 PBU A 300 -15.110 18.764 9.454 1.00 5.44 O HETATM 2122 OP3 PBU A 300 -16.805 18.835 11.414 1.00 21.03 O HETATM 0 H3'2 PBU A 300 -17.887 17.032 8.095 1.00 13.10 H new HETATM 0 H3'1 PBU A 300 -17.465 15.414 8.620 1.00 13.10 H new HETATM 0 H143 PBU A 300 -13.906 11.258 12.386 1.00 44.31 H new HETATM 0 H142 PBU A 300 -13.466 12.979 12.273 1.00 44.31 H new HETATM 0 H141 PBU A 300 -14.558 12.423 13.563 1.00 44.31 H new HETATM 0 H132 PBU A 300 -15.847 13.540 11.761 1.00 74.41 H new HETATM 0 H131 PBU A 300 -16.280 11.846 11.872 1.00 74.41 H new HETATM 0 H122 PBU A 300 -16.004 12.140 9.554 1.00 72.00 H new HETATM 0 H121 PBU A 300 -14.465 11.453 10.034 1.00 72.00 H new HETATM 0 H1'2 PBU A 300 -13.915 15.457 7.491 1.00 51.33 H new HETATM 0 H1'1 PBU A 300 -14.180 16.228 9.042 1.00 51.33 H new HETATM 0 H92 PBU A 300 -15.152 17.576 2.845 1.00 73.22 H new HETATM 0 H91 PBU A 300 -16.445 18.648 3.346 1.00 73.22 H new HETATM 0 H82 PBU A 300 -15.337 18.709 5.685 1.00 70.22 H new HETATM 0 H81 PBU A 300 -14.278 17.426 5.134 1.00 70.22 H new HETATM 0 H6 PBU A 300 -19.535 20.756 7.932 1.00 14.11 H new HETATM 0 H5 PBU A 300 -17.628 21.961 5.929 1.00 4.35 H new HETATM 0 H4 PBU A 300 -19.290 23.401 8.073 1.00 33.24 H new HETATM 0 H3 PBU A 300 -16.263 23.088 7.723 1.00 33.51 H new HETATM 0 H2' PBU A 300 -15.510 17.508 7.558 1.00 21.20 H new HETATM 0 H2 PBU A 300 -16.280 21.680 9.784 1.00 44.10 H new HETATM 0 H13 PBU A 300 -14.766 20.382 4.016 1.00 5.43 H new HETATM 0 H12 PBU A 300 -13.453 19.293 3.507 1.00 5.43 H new HETATM 0 H11 PBU A 300 -14.591 19.940 2.301 1.00 5.43 H new HETATM 0 H1 PBU A 300 -16.450 20.589 7.752 1.00 1.34 H new HETATM 0 H06 PBU A 300 -18.074 18.834 6.958 1.00 23.25 H new HETATM 0 H03 PBU A 300 -16.907 25.071 8.788 1.00 25.23 H new HETATM 0 H02 PBU A 300 -18.320 22.917 10.472 1.00 63.44 H new