USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 158 CYS SG : rot 69:sc= 0.965 USER MOD Set 1.2: A 162 SER OG : rot 71:sc= 1.27 USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0.713 USER MOD Set 2.2: A 121 THR OG1 : rot -104:sc= 0.563 USER MOD Set 3.1: A 81 HIS : no HE2:sc= -0.542! C(o=-0.61!,f=-6!) USER MOD Set 3.2: A 156 GLN : amide:sc= -0.0693 X(o=-0.61,f=-0.48) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0219) USER MOD Single : A 40 HIS :FLIP no HE2:sc= 0.175 F(o=-0.75,f=0.18) USER MOD Single : A 41 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot 29:sc= 0.104 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc=-0.00554 K(o=-0.0055,f=-1.6) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.21) USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= -0.291 (180deg=-0.38) USER MOD Single : A 100 ASN : amide:sc= 0.97 K(o=0.97,f=-2) USER MOD Single : A 112 MET CE :methyl 135:sc= -3.03! (180deg=-7.44!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0.0772 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= -1.65 F(o=-4!,f=-1.6) USER MOD Single : A 125 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 127 LYS NZ :NH3+ -161:sc= 0.0627 (180deg=0.0356) USER MOD Single : A 133 SER OG : rot -90:sc= 1.08 USER MOD Single : A 136 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.11) USER MOD Single : A 138 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.8!) USER MOD Single : A 141 TYR OH : rot 150:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot 23:sc= 1.1 USER MOD Single : A 150 HIS : no HD1:sc= -0.311 K(o=-0.31,f=-1.1) USER MOD Single : A 153 THR OG1 : rot -26:sc= 1.07 USER MOD Single : A 163 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.08) USER MOD Single : A 168 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -5.856 -23.217 4.478 1.00 44.44 N ATOM 63 CA LEU A 22 -6.503 -22.074 3.804 1.00 0.32 C ATOM 64 C LEU A 22 -5.834 -20.711 4.059 1.00 44.03 C ATOM 65 O LEU A 22 -5.704 -19.907 3.140 1.00 51.40 O ATOM 66 CB LEU A 22 -7.990 -22.058 4.067 1.00 42.31 C ATOM 67 CG LEU A 22 -8.735 -23.262 3.497 1.00 32.33 C ATOM 68 CD1 LEU A 22 -10.137 -23.274 3.993 1.00 20.52 C ATOM 69 CD2 LEU A 22 -8.719 -23.231 1.970 1.00 40.12 C ATOM 0 HA LEU A 22 -6.353 -22.237 2.737 1.00 0.32 H new ATOM 0 HB2 LEU A 22 -8.158 -22.016 5.143 1.00 42.31 H new ATOM 0 HB3 LEU A 22 -8.414 -21.148 3.643 1.00 42.31 H new ATOM 0 HG LEU A 22 -8.232 -24.170 3.829 1.00 32.33 H new ATOM 0 HD11 LEU A 22 -10.661 -24.136 3.581 1.00 20.52 H new ATOM 0 HD12 LEU A 22 -10.137 -23.335 5.081 1.00 20.52 H new ATOM 0 HD13 LEU A 22 -10.641 -22.360 3.680 1.00 20.52 H new ATOM 0 HD21 LEU A 22 -9.255 -24.098 1.583 1.00 40.12 H new ATOM 0 HD22 LEU A 22 -9.202 -22.319 1.620 1.00 40.12 H new ATOM 0 HD23 LEU A 22 -7.688 -23.254 1.616 1.00 40.12 H new ATOM 81 N VAL A 23 -5.406 -20.457 5.275 1.00 11.52 N ATOM 82 CA VAL A 23 -4.708 -19.231 5.577 1.00 1.25 C ATOM 83 C VAL A 23 -3.351 -19.246 4.875 1.00 73.51 C ATOM 84 O VAL A 23 -2.629 -20.262 4.886 1.00 73.54 O ATOM 85 CB VAL A 23 -4.559 -18.978 7.114 1.00 73.23 C ATOM 86 CG1 VAL A 23 -3.740 -20.060 7.791 1.00 53.20 C ATOM 87 CG2 VAL A 23 -3.970 -17.596 7.392 1.00 13.03 C ATOM 0 H VAL A 23 -5.530 -21.084 6.070 1.00 11.52 H new ATOM 0 HA VAL A 23 -5.304 -18.398 5.203 1.00 1.25 H new ATOM 0 HB VAL A 23 -5.561 -19.014 7.541 1.00 73.23 H new ATOM 0 HG11 VAL A 23 -3.662 -19.844 8.857 1.00 53.20 H new ATOM 0 HG12 VAL A 23 -4.226 -21.026 7.651 1.00 53.20 H new ATOM 0 HG13 VAL A 23 -2.742 -20.089 7.353 1.00 53.20 H new ATOM 0 HG21 VAL A 23 -3.878 -17.449 8.468 1.00 13.03 H new ATOM 0 HG22 VAL A 23 -2.985 -17.521 6.930 1.00 13.03 H new ATOM 0 HG23 VAL A 23 -4.625 -16.831 6.976 1.00 13.03 H new ATOM 97 N GLY A 24 -3.030 -18.165 4.246 1.00 43.55 N ATOM 98 CA GLY A 24 -1.837 -18.090 3.496 1.00 55.23 C ATOM 99 C GLY A 24 -1.129 -16.796 3.707 1.00 13.45 C ATOM 100 O GLY A 24 -1.695 -15.829 4.206 1.00 41.42 O ATOM 0 H GLY A 24 -3.592 -17.313 4.242 1.00 43.55 H new ATOM 0 HA2 GLY A 24 -1.180 -18.913 3.776 1.00 55.23 H new ATOM 0 HA3 GLY A 24 -2.066 -18.210 2.437 1.00 55.23 H new ATOM 104 N LYS A 25 0.083 -16.778 3.327 1.00 52.04 N ATOM 105 CA LYS A 25 0.933 -15.641 3.453 1.00 14.13 C ATOM 106 C LYS A 25 1.651 -15.402 2.194 1.00 4.42 C ATOM 107 O LYS A 25 1.777 -16.305 1.356 1.00 51.40 O ATOM 108 CB LYS A 25 2.001 -15.840 4.479 1.00 44.24 C ATOM 109 CG LYS A 25 1.635 -15.767 5.920 1.00 3.33 C ATOM 110 CD LYS A 25 2.868 -16.098 6.743 1.00 20.52 C ATOM 111 CE LYS A 25 4.089 -15.263 6.294 1.00 31.20 C ATOM 112 NZ LYS A 25 5.302 -15.602 7.077 1.00 50.15 N ATOM 0 H LYS A 25 0.542 -17.583 2.900 1.00 52.04 H new ATOM 0 HA LYS A 25 0.280 -14.814 3.732 1.00 14.13 H new ATOM 0 HB2 LYS A 25 2.450 -16.817 4.302 1.00 44.24 H new ATOM 0 HB3 LYS A 25 2.776 -15.095 4.297 1.00 44.24 H new ATOM 0 HG2 LYS A 25 1.269 -14.771 6.169 1.00 3.33 H new ATOM 0 HG3 LYS A 25 0.830 -16.467 6.143 1.00 3.33 H new ATOM 0 HD2 LYS A 25 2.665 -15.909 7.797 1.00 20.52 H new ATOM 0 HD3 LYS A 25 3.097 -17.159 6.647 1.00 20.52 H new ATOM 0 HE2 LYS A 25 4.279 -15.436 5.235 1.00 31.20 H new ATOM 0 HE3 LYS A 25 3.867 -14.202 6.408 1.00 31.20 H new ATOM 0 HZ1 LYS A 25 6.101 -15.023 6.748 1.00 50.15 H new ATOM 0 HZ2 LYS A 25 5.129 -15.413 8.085 1.00 50.15 H new ATOM 0 HZ3 LYS A 25 5.529 -16.609 6.948 1.00 50.15 H new ATOM 126 N LEU A 26 2.080 -14.202 2.028 1.00 5.22 N ATOM 127 CA LEU A 26 2.981 -13.879 0.992 1.00 63.32 C ATOM 128 C LEU A 26 3.881 -12.776 1.468 1.00 13.02 C ATOM 129 O LEU A 26 3.420 -11.792 2.012 1.00 30.44 O ATOM 130 CB LEU A 26 2.278 -13.498 -0.301 1.00 45.31 C ATOM 131 CG LEU A 26 3.186 -13.094 -1.457 1.00 50.33 C ATOM 132 CD1 LEU A 26 4.043 -14.257 -1.923 1.00 4.10 C ATOM 133 CD2 LEU A 26 2.381 -12.525 -2.588 1.00 24.32 C ATOM 0 H LEU A 26 1.810 -13.413 2.615 1.00 5.22 H new ATOM 0 HA LEU A 26 3.569 -14.766 0.756 1.00 63.32 H new ATOM 0 HB2 LEU A 26 1.667 -14.341 -0.622 1.00 45.31 H new ATOM 0 HB3 LEU A 26 1.598 -12.672 -0.093 1.00 45.31 H new ATOM 0 HG LEU A 26 3.862 -12.318 -1.097 1.00 50.33 H new ATOM 0 HD11 LEU A 26 4.678 -13.934 -2.748 1.00 4.10 H new ATOM 0 HD12 LEU A 26 4.667 -14.602 -1.099 1.00 4.10 H new ATOM 0 HD13 LEU A 26 3.400 -15.071 -2.258 1.00 4.10 H new ATOM 0 HD21 LEU A 26 3.047 -12.243 -3.403 1.00 24.32 H new ATOM 0 HD22 LEU A 26 1.671 -13.273 -2.942 1.00 24.32 H new ATOM 0 HD23 LEU A 26 1.838 -11.645 -2.242 1.00 24.32 H new ATOM 145 N GLU A 27 5.136 -12.961 1.321 1.00 42.25 N ATOM 146 CA GLU A 27 6.069 -11.968 1.724 1.00 22.20 C ATOM 147 C GLU A 27 7.094 -11.770 0.632 1.00 55.34 C ATOM 148 O GLU A 27 7.684 -12.740 0.139 1.00 25.44 O ATOM 149 CB GLU A 27 6.683 -12.329 3.076 1.00 13.32 C ATOM 150 CG GLU A 27 7.610 -11.282 3.648 1.00 1.15 C ATOM 151 CD GLU A 27 7.991 -11.587 5.062 1.00 42.41 C ATOM 152 OE1 GLU A 27 8.876 -12.434 5.279 1.00 24.33 O ATOM 153 OE2 GLU A 27 7.404 -10.988 5.986 1.00 12.03 O ATOM 0 H GLU A 27 5.552 -13.801 0.919 1.00 42.25 H new ATOM 0 HA GLU A 27 5.565 -11.012 1.869 1.00 22.20 H new ATOM 0 HB2 GLU A 27 5.878 -12.510 3.788 1.00 13.32 H new ATOM 0 HB3 GLU A 27 7.233 -13.264 2.972 1.00 13.32 H new ATOM 0 HG2 GLU A 27 8.509 -11.219 3.035 1.00 1.15 H new ATOM 0 HG3 GLU A 27 7.126 -10.306 3.605 1.00 1.15 H new ATOM 160 N THR A 28 7.271 -10.549 0.235 1.00 75.11 N ATOM 161 CA THR A 28 8.172 -10.214 -0.822 1.00 2.33 C ATOM 162 C THR A 28 8.868 -8.900 -0.484 1.00 44.34 C ATOM 163 O THR A 28 8.250 -7.969 0.059 1.00 64.14 O ATOM 164 CB THR A 28 7.413 -10.129 -2.209 1.00 21.43 C ATOM 165 OG1 THR A 28 8.312 -9.796 -3.289 1.00 11.35 O ATOM 166 CG2 THR A 28 6.274 -9.114 -2.166 1.00 65.10 C ATOM 0 H THR A 28 6.788 -9.747 0.641 1.00 75.11 H new ATOM 0 HA THR A 28 8.924 -10.997 -0.920 1.00 2.33 H new ATOM 0 HB THR A 28 6.995 -11.119 -2.393 1.00 21.43 H new ATOM 0 HG1 THR A 28 7.811 -9.754 -4.130 1.00 11.35 H new ATOM 0 HG21 THR A 28 5.777 -9.084 -3.136 1.00 65.10 H new ATOM 0 HG22 THR A 28 5.556 -9.405 -1.399 1.00 65.10 H new ATOM 0 HG23 THR A 28 6.674 -8.127 -1.933 1.00 65.10 H new ATOM 174 N ASP A 29 10.144 -8.842 -0.736 1.00 20.30 N ATOM 175 CA ASP A 29 10.896 -7.640 -0.492 1.00 21.12 C ATOM 176 C ASP A 29 11.177 -6.936 -1.799 1.00 73.23 C ATOM 177 O ASP A 29 11.766 -7.514 -2.720 1.00 14.34 O ATOM 178 CB ASP A 29 12.195 -7.909 0.327 1.00 13.44 C ATOM 179 CG ASP A 29 13.181 -8.877 -0.324 1.00 2.41 C ATOM 180 OD1 ASP A 29 12.943 -10.120 -0.265 1.00 62.52 O ATOM 181 OD2 ASP A 29 14.215 -8.425 -0.868 1.00 75.23 O ATOM 0 H ASP A 29 10.690 -9.617 -1.113 1.00 20.30 H new ATOM 0 HA ASP A 29 10.291 -6.979 0.129 1.00 21.12 H new ATOM 0 HB2 ASP A 29 12.701 -6.959 0.498 1.00 13.44 H new ATOM 0 HB3 ASP A 29 11.915 -8.302 1.304 1.00 13.44 H new ATOM 186 N VAL A 30 10.696 -5.720 -1.906 1.00 44.41 N ATOM 187 CA VAL A 30 10.904 -4.916 -3.090 1.00 32.24 C ATOM 188 C VAL A 30 11.864 -3.804 -2.759 1.00 15.22 C ATOM 189 O VAL A 30 11.778 -3.201 -1.695 1.00 73.41 O ATOM 190 CB VAL A 30 9.570 -4.334 -3.664 1.00 23.50 C ATOM 191 CG1 VAL A 30 9.829 -3.485 -4.899 1.00 74.31 C ATOM 192 CG2 VAL A 30 8.621 -5.458 -4.003 1.00 64.00 C ATOM 0 H VAL A 30 10.150 -5.260 -1.177 1.00 44.41 H new ATOM 0 HA VAL A 30 11.319 -5.558 -3.867 1.00 32.24 H new ATOM 0 HB VAL A 30 9.121 -3.698 -2.901 1.00 23.50 H new ATOM 0 HG11 VAL A 30 8.884 -3.094 -5.276 1.00 74.31 H new ATOM 0 HG12 VAL A 30 10.487 -2.656 -4.639 1.00 74.31 H new ATOM 0 HG13 VAL A 30 10.302 -4.096 -5.668 1.00 74.31 H new ATOM 0 HG21 VAL A 30 7.695 -5.044 -4.402 1.00 64.00 H new ATOM 0 HG22 VAL A 30 9.079 -6.108 -4.748 1.00 64.00 H new ATOM 0 HG23 VAL A 30 8.403 -6.034 -3.104 1.00 64.00 H new ATOM 202 N GLU A 31 12.778 -3.540 -3.634 1.00 63.34 N ATOM 203 CA GLU A 31 13.763 -2.553 -3.359 1.00 72.00 C ATOM 204 C GLU A 31 13.298 -1.222 -3.882 1.00 74.21 C ATOM 205 O GLU A 31 12.695 -1.143 -4.967 1.00 10.34 O ATOM 206 CB GLU A 31 15.115 -2.863 -4.005 1.00 12.32 C ATOM 207 CG GLU A 31 15.586 -4.331 -3.992 1.00 52.22 C ATOM 208 CD GLU A 31 14.820 -5.218 -4.965 1.00 55.23 C ATOM 209 OE1 GLU A 31 15.040 -5.099 -6.188 1.00 64.12 O ATOM 210 OE2 GLU A 31 13.977 -6.018 -4.538 1.00 54.35 O ATOM 0 H GLU A 31 12.861 -3.994 -4.543 1.00 63.34 H new ATOM 0 HA GLU A 31 13.896 -2.540 -2.277 1.00 72.00 H new ATOM 0 HB2 GLU A 31 15.077 -2.530 -5.042 1.00 12.32 H new ATOM 0 HB3 GLU A 31 15.874 -2.261 -3.505 1.00 12.32 H new ATOM 0 HG2 GLU A 31 16.648 -4.367 -4.237 1.00 52.22 H new ATOM 0 HG3 GLU A 31 15.478 -4.731 -2.984 1.00 52.22 H new ATOM 217 N ILE A 32 13.560 -0.188 -3.141 1.00 34.04 N ATOM 218 CA ILE A 32 13.235 1.133 -3.569 1.00 75.22 C ATOM 219 C ILE A 32 14.455 2.028 -3.462 1.00 4.34 C ATOM 220 O ILE A 32 15.323 1.829 -2.604 1.00 23.32 O ATOM 221 CB ILE A 32 12.000 1.743 -2.828 1.00 22.43 C ATOM 222 CG1 ILE A 32 12.200 1.731 -1.311 1.00 21.12 C ATOM 223 CG2 ILE A 32 10.712 1.017 -3.223 1.00 53.11 C ATOM 224 CD1 ILE A 32 11.039 2.295 -0.525 1.00 22.41 C ATOM 0 H ILE A 32 14.005 -0.239 -2.224 1.00 34.04 H new ATOM 0 HA ILE A 32 12.935 1.066 -4.615 1.00 75.22 H new ATOM 0 HB ILE A 32 11.906 2.784 -3.138 1.00 22.43 H new ATOM 0 HG12 ILE A 32 12.378 0.705 -0.988 1.00 21.12 H new ATOM 0 HG13 ILE A 32 13.097 2.301 -1.070 1.00 21.12 H new ATOM 0 HG21 ILE A 32 9.868 1.460 -2.694 1.00 53.11 H new ATOM 0 HG22 ILE A 32 10.557 1.111 -4.298 1.00 53.11 H new ATOM 0 HG23 ILE A 32 10.793 -0.037 -2.959 1.00 53.11 H new ATOM 0 HD11 ILE A 32 11.264 2.248 0.540 1.00 22.41 H new ATOM 0 HD12 ILE A 32 10.872 3.332 -0.816 1.00 22.41 H new ATOM 0 HD13 ILE A 32 10.142 1.712 -0.732 1.00 22.41 H new ATOM 236 N LYS A 33 14.532 2.983 -4.338 1.00 1.21 N ATOM 237 CA LYS A 33 15.647 3.911 -4.404 1.00 74.42 C ATOM 238 C LYS A 33 15.466 4.985 -3.356 1.00 65.35 C ATOM 239 O LYS A 33 16.374 5.787 -3.087 1.00 43.22 O ATOM 240 CB LYS A 33 15.672 4.556 -5.777 1.00 4.11 C ATOM 241 CG LYS A 33 15.727 3.564 -6.920 1.00 72.34 C ATOM 242 CD LYS A 33 15.615 4.271 -8.248 1.00 21.24 C ATOM 243 CE LYS A 33 15.572 3.285 -9.393 1.00 14.44 C ATOM 244 NZ LYS A 33 15.403 3.970 -10.684 1.00 24.10 N ATOM 0 H LYS A 33 13.816 3.152 -5.044 1.00 1.21 H new ATOM 0 HA LYS A 33 16.581 3.378 -4.226 1.00 74.42 H new ATOM 0 HB2 LYS A 33 14.785 5.178 -5.891 1.00 4.11 H new ATOM 0 HB3 LYS A 33 16.536 5.218 -5.841 1.00 4.11 H new ATOM 0 HG2 LYS A 33 16.662 3.005 -6.878 1.00 72.34 H new ATOM 0 HG3 LYS A 33 14.918 2.840 -6.819 1.00 72.34 H new ATOM 0 HD2 LYS A 33 14.715 4.886 -8.260 1.00 21.24 H new ATOM 0 HD3 LYS A 33 16.462 4.944 -8.377 1.00 21.24 H new ATOM 0 HE2 LYS A 33 16.492 2.701 -9.407 1.00 14.44 H new ATOM 0 HE3 LYS A 33 14.751 2.584 -9.241 1.00 14.44 H new ATOM 0 HZ1 LYS A 33 15.377 3.266 -11.450 1.00 24.10 H new ATOM 0 HZ2 LYS A 33 14.513 4.508 -10.678 1.00 24.10 H new ATOM 0 HZ3 LYS A 33 16.199 4.621 -10.839 1.00 24.10 H new ATOM 258 N ALA A 34 14.292 4.990 -2.776 1.00 2.01 N ATOM 259 CA ALA A 34 13.911 5.942 -1.782 1.00 54.32 C ATOM 260 C ALA A 34 14.748 5.792 -0.519 1.00 50.21 C ATOM 261 O ALA A 34 15.381 4.748 -0.278 1.00 32.25 O ATOM 262 CB ALA A 34 12.438 5.798 -1.460 1.00 14.21 C ATOM 0 H ALA A 34 13.562 4.312 -2.993 1.00 2.01 H new ATOM 0 HA ALA A 34 14.092 6.939 -2.183 1.00 54.32 H new ATOM 0 HB1 ALA A 34 12.158 6.529 -0.701 1.00 14.21 H new ATOM 0 HB2 ALA A 34 11.850 5.968 -2.362 1.00 14.21 H new ATOM 0 HB3 ALA A 34 12.244 4.793 -1.085 1.00 14.21 H new ATOM 268 N SER A 35 14.768 6.822 0.257 1.00 63.23 N ATOM 269 CA SER A 35 15.461 6.839 1.497 1.00 63.22 C ATOM 270 C SER A 35 14.437 6.592 2.596 1.00 53.23 C ATOM 271 O SER A 35 13.340 7.179 2.569 1.00 10.45 O ATOM 272 CB SER A 35 16.120 8.209 1.673 1.00 34.44 C ATOM 273 OG SER A 35 16.925 8.524 0.536 1.00 12.22 O ATOM 0 H SER A 35 14.290 7.697 0.040 1.00 63.23 H new ATOM 0 HA SER A 35 16.236 6.073 1.535 1.00 63.22 H new ATOM 0 HB2 SER A 35 15.355 8.973 1.808 1.00 34.44 H new ATOM 0 HB3 SER A 35 16.734 8.211 2.573 1.00 34.44 H new ATOM 0 HG SER A 35 17.339 9.403 0.662 1.00 12.22 H new ATOM 279 N ALA A 36 14.770 5.737 3.548 1.00 22.23 N ATOM 280 CA ALA A 36 13.847 5.384 4.621 1.00 43.21 C ATOM 281 C ALA A 36 13.425 6.616 5.423 1.00 1.44 C ATOM 282 O ALA A 36 12.276 6.718 5.863 1.00 72.14 O ATOM 283 CB ALA A 36 14.448 4.321 5.523 1.00 52.22 C ATOM 0 H ALA A 36 15.676 5.271 3.602 1.00 22.23 H new ATOM 0 HA ALA A 36 12.949 4.969 4.164 1.00 43.21 H new ATOM 0 HB1 ALA A 36 13.741 4.074 6.315 1.00 52.22 H new ATOM 0 HB2 ALA A 36 14.664 3.427 4.938 1.00 52.22 H new ATOM 0 HB3 ALA A 36 15.371 4.697 5.964 1.00 52.22 H new ATOM 289 N ASP A 37 14.330 7.562 5.576 1.00 0.42 N ATOM 290 CA ASP A 37 14.029 8.777 6.321 1.00 43.40 C ATOM 291 C ASP A 37 13.027 9.645 5.576 1.00 50.32 C ATOM 292 O ASP A 37 12.113 10.196 6.177 1.00 54.53 O ATOM 293 CB ASP A 37 15.285 9.574 6.657 1.00 1.01 C ATOM 294 CG ASP A 37 14.968 10.820 7.460 1.00 23.54 C ATOM 295 OD1 ASP A 37 14.679 10.702 8.665 1.00 11.42 O ATOM 296 OD2 ASP A 37 15.004 11.929 6.894 1.00 71.13 O ATOM 0 H ASP A 37 15.276 7.517 5.198 1.00 0.42 H new ATOM 0 HA ASP A 37 13.581 8.464 7.264 1.00 43.40 H new ATOM 0 HB2 ASP A 37 15.974 8.945 7.221 1.00 1.01 H new ATOM 0 HB3 ASP A 37 15.793 9.856 5.735 1.00 1.01 H new ATOM 301 N LYS A 38 13.161 9.727 4.259 1.00 61.34 N ATOM 302 CA LYS A 38 12.224 10.522 3.465 1.00 2.21 C ATOM 303 C LYS A 38 10.824 9.924 3.521 1.00 3.51 C ATOM 304 O LYS A 38 9.821 10.639 3.470 1.00 63.35 O ATOM 305 CB LYS A 38 12.710 10.720 2.029 1.00 11.14 C ATOM 306 CG LYS A 38 13.954 11.594 1.962 1.00 62.53 C ATOM 307 CD LYS A 38 14.426 11.848 0.541 1.00 71.10 C ATOM 308 CE LYS A 38 13.419 12.638 -0.310 1.00 74.54 C ATOM 309 NZ LYS A 38 13.136 13.986 0.212 1.00 25.25 N ATOM 0 H LYS A 38 13.894 9.263 3.722 1.00 61.34 H new ATOM 0 HA LYS A 38 12.175 11.516 3.909 1.00 2.21 H new ATOM 0 HB2 LYS A 38 12.925 9.749 1.582 1.00 11.14 H new ATOM 0 HB3 LYS A 38 11.916 11.175 1.437 1.00 11.14 H new ATOM 0 HG2 LYS A 38 13.747 12.548 2.446 1.00 62.53 H new ATOM 0 HG3 LYS A 38 14.756 11.118 2.526 1.00 62.53 H new ATOM 0 HD2 LYS A 38 15.369 12.393 0.572 1.00 71.10 H new ATOM 0 HD3 LYS A 38 14.627 10.892 0.057 1.00 71.10 H new ATOM 0 HE2 LYS A 38 13.804 12.724 -1.326 1.00 74.54 H new ATOM 0 HE3 LYS A 38 12.486 12.077 -0.369 1.00 74.54 H new ATOM 0 HZ1 LYS A 38 12.490 14.481 -0.436 1.00 25.25 H new ATOM 0 HZ2 LYS A 38 12.694 13.909 1.150 1.00 25.25 H new ATOM 0 HZ3 LYS A 38 14.024 14.521 0.291 1.00 25.25 H new ATOM 323 N PHE A 39 10.771 8.605 3.668 1.00 22.31 N ATOM 324 CA PHE A 39 9.516 7.881 3.830 1.00 42.13 C ATOM 325 C PHE A 39 8.946 8.191 5.227 1.00 4.33 C ATOM 326 O PHE A 39 7.747 8.443 5.390 1.00 13.34 O ATOM 327 CB PHE A 39 9.779 6.366 3.655 1.00 14.43 C ATOM 328 CG PHE A 39 8.553 5.483 3.649 1.00 1.04 C ATOM 329 CD1 PHE A 39 7.901 5.193 2.461 1.00 45.13 C ATOM 330 CD2 PHE A 39 8.067 4.929 4.821 1.00 43.25 C ATOM 331 CE1 PHE A 39 6.788 4.375 2.444 1.00 24.23 C ATOM 332 CE2 PHE A 39 6.955 4.107 4.810 1.00 43.34 C ATOM 333 CZ PHE A 39 6.314 3.831 3.620 1.00 2.22 C ATOM 0 H PHE A 39 11.597 8.007 3.678 1.00 22.31 H new ATOM 0 HA PHE A 39 8.789 8.190 3.079 1.00 42.13 H new ATOM 0 HB2 PHE A 39 10.317 6.215 2.719 1.00 14.43 H new ATOM 0 HB3 PHE A 39 10.438 6.036 4.458 1.00 14.43 H new ATOM 0 HD1 PHE A 39 8.268 5.612 1.536 1.00 45.13 H new ATOM 0 HD2 PHE A 39 8.563 5.142 5.756 1.00 43.25 H new ATOM 0 HE1 PHE A 39 6.289 4.161 1.510 1.00 24.23 H new ATOM 0 HE2 PHE A 39 6.589 3.681 5.732 1.00 43.34 H new ATOM 0 HZ PHE A 39 5.444 3.191 3.609 1.00 2.22 H new ATOM 343 N HIS A 40 9.843 8.211 6.214 1.00 54.02 N ATOM 344 CA HIS A 40 9.529 8.528 7.623 1.00 53.14 C ATOM 345 C HIS A 40 8.903 9.933 7.736 1.00 4.04 C ATOM 346 O HIS A 40 7.994 10.164 8.537 1.00 22.31 O ATOM 347 CB HIS A 40 10.846 8.451 8.457 1.00 41.45 C ATOM 348 CG HIS A 40 10.731 8.765 9.936 1.00 44.23 C ATOM 349 ND1 HIS A 40 10.264 8.027 10.961 1.00 20.43 N flip ATOM 350 CD2 HIS A 40 11.172 9.949 10.501 1.00 51.33 C flip ATOM 351 CE1 HIS A 40 10.424 8.764 12.108 1.00 4.22 C flip ATOM 352 NE2 HIS A 40 10.973 9.913 11.801 1.00 61.00 N flip ATOM 0 H HIS A 40 10.830 8.004 6.061 1.00 54.02 H new ATOM 0 HA HIS A 40 8.806 7.809 8.007 1.00 53.14 H new ATOM 0 HB2 HIS A 40 11.257 7.447 8.353 1.00 41.45 H new ATOM 0 HB3 HIS A 40 11.568 9.139 8.018 1.00 41.45 H new ATOM 0 HD1 HIS A 40 9.864 7.091 10.897 1.00 20.43 H new ATOM 0 HD2 HIS A 40 11.611 10.774 9.959 1.00 51.33 H new ATOM 0 HE1 HIS A 40 10.143 8.448 13.102 1.00 4.22 H new ATOM 361 N HIS A 41 9.377 10.848 6.904 1.00 12.12 N ATOM 362 CA HIS A 41 8.922 12.243 6.927 1.00 74.31 C ATOM 363 C HIS A 41 7.477 12.420 6.527 1.00 31.33 C ATOM 364 O HIS A 41 6.798 13.267 7.081 1.00 64.53 O ATOM 365 CB HIS A 41 9.803 13.171 6.079 1.00 55.13 C ATOM 366 CG HIS A 41 11.121 13.530 6.684 1.00 1.44 C ATOM 367 ND1 HIS A 41 11.702 14.758 6.526 1.00 10.22 N ATOM 368 CD2 HIS A 41 11.988 12.807 7.407 1.00 5.13 C ATOM 369 CE1 HIS A 41 12.875 14.763 7.123 1.00 13.34 C ATOM 370 NE2 HIS A 41 13.068 13.585 7.666 1.00 5.31 N ATOM 0 H HIS A 41 10.084 10.653 6.195 1.00 12.12 H new ATOM 0 HA HIS A 41 9.014 12.531 7.974 1.00 74.31 H new ATOM 0 HB2 HIS A 41 9.982 12.694 5.115 1.00 55.13 H new ATOM 0 HB3 HIS A 41 9.250 14.090 5.882 1.00 55.13 H new ATOM 0 HD2 HIS A 41 11.850 11.785 7.727 1.00 5.13 H new ATOM 0 HE1 HIS A 41 13.562 15.596 7.159 1.00 13.34 H new ATOM 0 HE2 HIS A 41 13.893 13.301 8.195 1.00 5.31 H new ATOM 778 N THR A 70 -4.307 9.961 10.598 1.00 53.31 N ATOM 779 CA THR A 70 -4.398 9.155 11.788 1.00 0.43 C ATOM 780 C THR A 70 -4.884 7.761 11.384 1.00 3.35 C ATOM 781 O THR A 70 -5.702 7.645 10.470 1.00 63.54 O ATOM 782 CB THR A 70 -5.389 9.791 12.819 1.00 32.40 C ATOM 783 OG1 THR A 70 -4.979 11.145 13.109 1.00 4.24 O ATOM 784 CG2 THR A 70 -5.414 9.001 14.124 1.00 73.15 C ATOM 0 HA THR A 70 -3.419 9.094 12.264 1.00 0.43 H new ATOM 0 HB THR A 70 -6.386 9.776 12.379 1.00 32.40 H new ATOM 0 HG1 THR A 70 -4.511 11.518 12.333 1.00 4.24 H new ATOM 0 HG21 THR A 70 -6.112 9.468 14.819 1.00 73.15 H new ATOM 0 HG22 THR A 70 -5.732 7.978 13.924 1.00 73.15 H new ATOM 0 HG23 THR A 70 -4.416 8.992 14.563 1.00 73.15 H new ATOM 792 N VAL A 71 -4.360 6.726 12.037 1.00 54.12 N ATOM 793 CA VAL A 71 -4.735 5.332 11.787 1.00 30.53 C ATOM 794 C VAL A 71 -6.276 5.164 11.824 1.00 75.11 C ATOM 795 O VAL A 71 -6.966 5.810 12.622 1.00 61.13 O ATOM 796 CB VAL A 71 -4.046 4.387 12.803 1.00 23.44 C ATOM 797 CG1 VAL A 71 -4.469 4.701 14.185 1.00 32.33 C ATOM 798 CG2 VAL A 71 -4.301 2.935 12.490 1.00 3.33 C ATOM 0 H VAL A 71 -3.653 6.831 12.765 1.00 54.12 H new ATOM 0 HA VAL A 71 -4.391 5.058 10.789 1.00 30.53 H new ATOM 0 HB VAL A 71 -2.972 4.555 12.718 1.00 23.44 H new ATOM 0 HG11 VAL A 71 -3.972 4.024 14.880 1.00 32.33 H new ATOM 0 HG12 VAL A 71 -4.198 5.730 14.424 1.00 32.33 H new ATOM 0 HG13 VAL A 71 -5.549 4.581 14.271 1.00 32.33 H new ATOM 0 HG21 VAL A 71 -3.799 2.310 13.228 1.00 3.33 H new ATOM 0 HG22 VAL A 71 -5.373 2.740 12.518 1.00 3.33 H new ATOM 0 HG23 VAL A 71 -3.916 2.704 11.497 1.00 3.33 H new ATOM 808 N GLY A 72 -6.795 4.340 10.939 1.00 53.55 N ATOM 809 CA GLY A 72 -8.226 4.226 10.774 1.00 51.51 C ATOM 810 C GLY A 72 -8.626 4.997 9.546 1.00 52.03 C ATOM 811 O GLY A 72 -9.784 5.002 9.128 1.00 24.42 O ATOM 0 H GLY A 72 -6.246 3.740 10.323 1.00 53.55 H new ATOM 0 HA2 GLY A 72 -8.514 3.179 10.675 1.00 51.51 H new ATOM 0 HA3 GLY A 72 -8.741 4.617 11.652 1.00 51.51 H new ATOM 815 N SER A 73 -7.630 5.658 8.993 1.00 51.14 N ATOM 816 CA SER A 73 -7.721 6.448 7.802 1.00 34.45 C ATOM 817 C SER A 73 -8.054 5.572 6.606 1.00 21.45 C ATOM 818 O SER A 73 -7.577 4.428 6.499 1.00 43.43 O ATOM 819 CB SER A 73 -6.362 7.134 7.586 1.00 50.42 C ATOM 820 OG SER A 73 -6.317 7.933 6.420 1.00 61.34 O ATOM 0 H SER A 73 -6.690 5.652 9.390 1.00 51.14 H new ATOM 0 HA SER A 73 -8.513 7.190 7.906 1.00 34.45 H new ATOM 0 HB2 SER A 73 -6.135 7.755 8.452 1.00 50.42 H new ATOM 0 HB3 SER A 73 -5.584 6.373 7.527 1.00 50.42 H new ATOM 0 HG SER A 73 -5.431 8.343 6.338 1.00 61.34 H new ATOM 826 N ILE A 74 -8.876 6.085 5.735 1.00 50.53 N ATOM 827 CA ILE A 74 -9.198 5.410 4.529 1.00 53.42 C ATOM 828 C ILE A 74 -8.798 6.270 3.367 1.00 23.14 C ATOM 829 O ILE A 74 -9.332 7.373 3.164 1.00 53.24 O ATOM 830 CB ILE A 74 -10.693 5.048 4.454 1.00 11.11 C ATOM 831 CG1 ILE A 74 -11.014 4.074 5.577 1.00 51.41 C ATOM 832 CG2 ILE A 74 -11.034 4.431 3.095 1.00 43.02 C ATOM 833 CD1 ILE A 74 -12.458 3.694 5.669 1.00 34.35 C ATOM 0 H ILE A 74 -9.339 6.987 5.850 1.00 50.53 H new ATOM 0 HA ILE A 74 -8.647 4.470 4.498 1.00 53.42 H new ATOM 0 HB ILE A 74 -11.293 5.951 4.566 1.00 11.11 H new ATOM 0 HG12 ILE A 74 -10.421 3.170 5.439 1.00 51.41 H new ATOM 0 HG13 ILE A 74 -10.706 4.516 6.525 1.00 51.41 H new ATOM 0 HG21 ILE A 74 -12.095 4.183 3.064 1.00 43.02 H new ATOM 0 HG22 ILE A 74 -10.805 5.145 2.304 1.00 43.02 H new ATOM 0 HG23 ILE A 74 -10.445 3.525 2.949 1.00 43.02 H new ATOM 0 HD11 ILE A 74 -12.599 2.997 6.495 1.00 34.35 H new ATOM 0 HD12 ILE A 74 -13.059 4.587 5.841 1.00 34.35 H new ATOM 0 HD13 ILE A 74 -12.770 3.220 4.738 1.00 34.35 H new ATOM 845 N VAL A 75 -7.863 5.780 2.637 1.00 74.54 N ATOM 846 CA VAL A 75 -7.340 6.425 1.477 1.00 70.21 C ATOM 847 C VAL A 75 -7.139 5.356 0.440 1.00 54.25 C ATOM 848 O VAL A 75 -6.737 4.257 0.787 1.00 12.23 O ATOM 849 CB VAL A 75 -5.996 7.181 1.795 1.00 73.13 C ATOM 850 CG1 VAL A 75 -4.924 6.247 2.358 1.00 12.14 C ATOM 851 CG2 VAL A 75 -5.476 7.927 0.573 1.00 30.41 C ATOM 0 H VAL A 75 -7.420 4.883 2.835 1.00 74.54 H new ATOM 0 HA VAL A 75 -8.031 7.186 1.115 1.00 70.21 H new ATOM 0 HB VAL A 75 -6.226 7.913 2.569 1.00 73.13 H new ATOM 0 HG11 VAL A 75 -4.016 6.815 2.561 1.00 12.14 H new ATOM 0 HG12 VAL A 75 -5.284 5.796 3.283 1.00 12.14 H new ATOM 0 HG13 VAL A 75 -4.707 5.463 1.632 1.00 12.14 H new ATOM 0 HG21 VAL A 75 -4.547 8.438 0.827 1.00 30.41 H new ATOM 0 HG22 VAL A 75 -5.292 7.219 -0.235 1.00 30.41 H new ATOM 0 HG23 VAL A 75 -6.217 8.659 0.251 1.00 30.41 H new ATOM 861 N PHE A 76 -7.440 5.651 -0.797 1.00 13.23 N ATOM 862 CA PHE A 76 -7.336 4.649 -1.829 1.00 14.43 C ATOM 863 C PHE A 76 -6.156 4.877 -2.720 1.00 54.32 C ATOM 864 O PHE A 76 -5.725 6.033 -2.935 1.00 41.31 O ATOM 865 CB PHE A 76 -8.631 4.546 -2.631 1.00 51.05 C ATOM 866 CG PHE A 76 -9.793 4.146 -1.780 1.00 33.30 C ATOM 867 CD1 PHE A 76 -9.735 2.987 -1.055 1.00 63.42 C ATOM 868 CD2 PHE A 76 -10.930 4.921 -1.705 1.00 62.35 C ATOM 869 CE1 PHE A 76 -10.775 2.588 -0.263 1.00 72.03 C ATOM 870 CE2 PHE A 76 -11.992 4.536 -0.912 1.00 12.02 C ATOM 871 CZ PHE A 76 -11.915 3.360 -0.186 1.00 65.12 C ATOM 0 H PHE A 76 -7.756 6.567 -1.114 1.00 13.23 H new ATOM 0 HA PHE A 76 -7.175 3.693 -1.332 1.00 14.43 H new ATOM 0 HB2 PHE A 76 -8.842 5.506 -3.102 1.00 51.05 H new ATOM 0 HB3 PHE A 76 -8.503 3.819 -3.433 1.00 51.05 H new ATOM 0 HD1 PHE A 76 -8.848 2.374 -1.110 1.00 63.42 H new ATOM 0 HD2 PHE A 76 -10.991 5.838 -2.272 1.00 62.35 H new ATOM 0 HE1 PHE A 76 -10.704 1.670 0.301 1.00 72.03 H new ATOM 0 HE2 PHE A 76 -12.879 5.150 -0.858 1.00 12.02 H new ATOM 0 HZ PHE A 76 -12.741 3.049 0.436 1.00 65.12 H new ATOM 881 N TRP A 77 -5.643 3.808 -3.247 1.00 42.24 N ATOM 882 CA TRP A 77 -4.492 3.847 -4.099 1.00 61.44 C ATOM 883 C TRP A 77 -4.903 3.586 -5.542 1.00 21.32 C ATOM 884 O TRP A 77 -5.628 2.643 -5.838 1.00 44.53 O ATOM 885 CB TRP A 77 -3.466 2.795 -3.630 1.00 61.34 C ATOM 886 CG TRP A 77 -2.179 2.799 -4.403 1.00 44.22 C ATOM 887 CD1 TRP A 77 -1.972 2.267 -5.629 1.00 53.11 C ATOM 888 CD2 TRP A 77 -0.928 3.343 -3.985 1.00 63.22 C ATOM 889 NE1 TRP A 77 -0.675 2.462 -6.023 1.00 62.11 N ATOM 890 CE2 TRP A 77 -0.008 3.117 -5.026 1.00 61.33 C ATOM 891 CE3 TRP A 77 -0.497 4.009 -2.835 1.00 64.42 C ATOM 892 CZ2 TRP A 77 1.311 3.528 -4.950 1.00 53.44 C ATOM 893 CZ3 TRP A 77 0.820 4.415 -2.763 1.00 65.33 C ATOM 894 CH2 TRP A 77 1.707 4.173 -3.816 1.00 14.03 C ATOM 0 H TRP A 77 -6.016 2.871 -3.096 1.00 42.24 H new ATOM 0 HA TRP A 77 -4.034 4.835 -4.044 1.00 61.44 H new ATOM 0 HB2 TRP A 77 -3.244 2.966 -2.577 1.00 61.34 H new ATOM 0 HB3 TRP A 77 -3.918 1.806 -3.704 1.00 61.34 H new ATOM 0 HD1 TRP A 77 -2.724 1.760 -6.215 1.00 53.11 H new ATOM 0 HE1 TRP A 77 -0.273 2.167 -6.913 1.00 62.11 H new ATOM 0 HE3 TRP A 77 -1.179 4.202 -2.020 1.00 64.42 H new ATOM 0 HZ2 TRP A 77 2.002 3.345 -5.760 1.00 53.44 H new ATOM 0 HZ3 TRP A 77 1.171 4.928 -1.879 1.00 65.33 H new ATOM 0 HH2 TRP A 77 2.731 4.505 -3.729 1.00 14.03 H new ATOM 905 N ASN A 78 -4.460 4.442 -6.431 1.00 40.14 N ATOM 906 CA ASN A 78 -4.718 4.263 -7.846 1.00 11.13 C ATOM 907 C ASN A 78 -3.471 3.732 -8.496 1.00 3.24 C ATOM 908 O ASN A 78 -2.388 4.261 -8.273 1.00 31.32 O ATOM 909 CB ASN A 78 -5.126 5.583 -8.535 1.00 63.34 C ATOM 910 CG ASN A 78 -6.463 6.163 -8.077 1.00 73.11 C ATOM 911 OD1 ASN A 78 -6.882 6.013 -6.928 1.00 14.01 O ATOM 912 ND2 ASN A 78 -7.144 6.828 -8.975 1.00 51.42 N ATOM 0 H ASN A 78 -3.916 5.274 -6.202 1.00 40.14 H new ATOM 0 HA ASN A 78 -5.548 3.565 -7.955 1.00 11.13 H new ATOM 0 HB2 ASN A 78 -4.346 6.324 -8.359 1.00 63.34 H new ATOM 0 HB3 ASN A 78 -5.169 5.416 -9.611 1.00 63.34 H new ATOM 0 HD21 ASN A 78 -8.046 7.238 -8.731 1.00 51.42 H new ATOM 0 HD22 ASN A 78 -6.773 6.937 -9.919 1.00 51.42 H new ATOM 919 N TYR A 79 -3.598 2.709 -9.284 1.00 62.02 N ATOM 920 CA TYR A 79 -2.452 2.124 -9.931 1.00 12.04 C ATOM 921 C TYR A 79 -2.775 1.785 -11.365 1.00 2.45 C ATOM 922 O TYR A 79 -3.901 1.411 -11.687 1.00 22.35 O ATOM 923 CB TYR A 79 -1.941 0.878 -9.161 1.00 45.33 C ATOM 924 CG TYR A 79 -2.908 -0.296 -9.079 1.00 33.32 C ATOM 925 CD1 TYR A 79 -3.944 -0.314 -8.152 1.00 42.12 C ATOM 926 CD2 TYR A 79 -2.771 -1.388 -9.928 1.00 75.34 C ATOM 927 CE1 TYR A 79 -4.812 -1.386 -8.078 1.00 24.51 C ATOM 928 CE2 TYR A 79 -3.635 -2.460 -9.858 1.00 51.20 C ATOM 929 CZ TYR A 79 -4.652 -2.456 -8.932 1.00 3.24 C ATOM 930 OH TYR A 79 -5.519 -3.523 -8.861 1.00 14.35 O ATOM 0 H TYR A 79 -4.486 2.256 -9.499 1.00 62.02 H new ATOM 0 HA TYR A 79 -1.647 2.859 -9.925 1.00 12.04 H new ATOM 0 HB2 TYR A 79 -1.022 0.534 -9.635 1.00 45.33 H new ATOM 0 HB3 TYR A 79 -1.683 1.182 -8.147 1.00 45.33 H new ATOM 0 HD1 TYR A 79 -4.072 0.522 -7.480 1.00 42.12 H new ATOM 0 HD2 TYR A 79 -1.973 -1.397 -10.656 1.00 75.34 H new ATOM 0 HE1 TYR A 79 -5.613 -1.386 -7.354 1.00 24.51 H new ATOM 0 HE2 TYR A 79 -3.514 -3.299 -10.527 1.00 51.20 H new ATOM 0 HH TYR A 79 -5.269 -4.193 -9.532 1.00 14.35 H new ATOM 940 N VAL A 80 -1.817 1.934 -12.223 1.00 12.34 N ATOM 941 CA VAL A 80 -2.008 1.625 -13.612 1.00 0.41 C ATOM 942 C VAL A 80 -1.269 0.356 -13.922 1.00 65.43 C ATOM 943 O VAL A 80 -0.060 0.302 -13.800 1.00 21.41 O ATOM 944 CB VAL A 80 -1.493 2.764 -14.527 1.00 70.51 C ATOM 945 CG1 VAL A 80 -1.713 2.429 -15.998 1.00 2.40 C ATOM 946 CG2 VAL A 80 -2.185 4.063 -14.177 1.00 15.23 C ATOM 0 H VAL A 80 -0.884 2.271 -11.987 1.00 12.34 H new ATOM 0 HA VAL A 80 -3.075 1.508 -13.802 1.00 0.41 H new ATOM 0 HB VAL A 80 -0.421 2.875 -14.363 1.00 70.51 H new ATOM 0 HG11 VAL A 80 -1.342 3.246 -16.617 1.00 2.40 H new ATOM 0 HG12 VAL A 80 -1.177 1.513 -16.247 1.00 2.40 H new ATOM 0 HG13 VAL A 80 -2.778 2.288 -16.184 1.00 2.40 H new ATOM 0 HG21 VAL A 80 -1.816 4.858 -14.825 1.00 15.23 H new ATOM 0 HG22 VAL A 80 -3.260 3.951 -14.315 1.00 15.23 H new ATOM 0 HG23 VAL A 80 -1.977 4.317 -13.138 1.00 15.23 H new ATOM 956 N HIS A 81 -1.986 -0.645 -14.324 1.00 24.22 N ATOM 957 CA HIS A 81 -1.393 -1.936 -14.618 1.00 12.44 C ATOM 958 C HIS A 81 -1.884 -2.409 -15.968 1.00 61.24 C ATOM 959 O HIS A 81 -3.090 -2.518 -16.181 1.00 31.34 O ATOM 960 CB HIS A 81 -1.716 -2.948 -13.491 1.00 71.24 C ATOM 961 CG HIS A 81 -1.149 -4.332 -13.692 1.00 43.44 C ATOM 962 ND1 HIS A 81 0.169 -4.658 -13.468 1.00 52.44 N ATOM 963 CD2 HIS A 81 -1.734 -5.462 -14.105 1.00 11.45 C ATOM 964 CE1 HIS A 81 0.358 -5.924 -13.745 1.00 31.12 C ATOM 965 NE2 HIS A 81 -0.780 -6.441 -14.135 1.00 33.44 N ATOM 0 H HIS A 81 -2.996 -0.604 -14.461 1.00 24.22 H new ATOM 0 HA HIS A 81 -0.307 -1.848 -14.661 1.00 12.44 H new ATOM 0 HB2 HIS A 81 -1.339 -2.551 -12.548 1.00 71.24 H new ATOM 0 HB3 HIS A 81 -2.799 -3.026 -13.394 1.00 71.24 H new ATOM 0 HD1 HIS A 81 0.887 -4.014 -13.138 1.00 52.44 H new ATOM 0 HD2 HIS A 81 -2.775 -5.580 -14.368 1.00 11.45 H new ATOM 0 HE1 HIS A 81 1.296 -6.453 -13.665 1.00 31.12 H new ATOM 974 N ASP A 82 -0.936 -2.650 -16.886 1.00 11.44 N ATOM 975 CA ASP A 82 -1.216 -3.046 -18.286 1.00 11.22 C ATOM 976 C ASP A 82 -1.937 -1.937 -19.004 1.00 31.22 C ATOM 977 O ASP A 82 -2.724 -2.165 -19.933 1.00 11.02 O ATOM 978 CB ASP A 82 -2.013 -4.359 -18.392 1.00 62.34 C ATOM 979 CG ASP A 82 -1.231 -5.571 -17.974 1.00 10.43 C ATOM 980 OD1 ASP A 82 -0.322 -5.985 -18.718 1.00 10.44 O ATOM 981 OD2 ASP A 82 -1.530 -6.153 -16.924 1.00 11.24 O ATOM 0 H ASP A 82 0.060 -2.576 -16.681 1.00 11.44 H new ATOM 0 HA ASP A 82 -0.252 -3.227 -18.762 1.00 11.22 H new ATOM 0 HB2 ASP A 82 -2.907 -4.283 -17.774 1.00 62.34 H new ATOM 0 HB3 ASP A 82 -2.347 -4.490 -19.421 1.00 62.34 H new ATOM 986 N GLY A 83 -1.642 -0.720 -18.586 1.00 43.34 N ATOM 987 CA GLY A 83 -2.234 0.447 -19.186 1.00 71.20 C ATOM 988 C GLY A 83 -3.635 0.724 -18.681 1.00 13.34 C ATOM 989 O GLY A 83 -4.231 1.743 -19.022 1.00 62.04 O ATOM 0 H GLY A 83 -0.990 -0.520 -17.827 1.00 43.34 H new ATOM 0 HA2 GLY A 83 -1.603 1.313 -18.984 1.00 71.20 H new ATOM 0 HA3 GLY A 83 -2.262 0.318 -20.268 1.00 71.20 H new ATOM 993 N GLU A 84 -4.150 -0.156 -17.855 1.00 30.50 N ATOM 994 CA GLU A 84 -5.476 -0.005 -17.357 1.00 72.21 C ATOM 995 C GLU A 84 -5.421 0.662 -16.018 1.00 41.43 C ATOM 996 O GLU A 84 -4.605 0.293 -15.150 1.00 53.42 O ATOM 997 CB GLU A 84 -6.163 -1.361 -17.275 1.00 43.52 C ATOM 998 CG GLU A 84 -7.652 -1.314 -16.989 1.00 70.50 C ATOM 999 CD GLU A 84 -8.310 -2.672 -17.159 1.00 31.02 C ATOM 1000 OE1 GLU A 84 -8.565 -3.078 -18.320 1.00 2.45 O ATOM 1001 OE2 GLU A 84 -8.562 -3.358 -16.167 1.00 12.43 O ATOM 0 H GLU A 84 -3.659 -0.985 -17.519 1.00 30.50 H new ATOM 0 HA GLU A 84 -6.060 0.618 -18.034 1.00 72.21 H new ATOM 0 HB2 GLU A 84 -6.006 -1.887 -18.217 1.00 43.52 H new ATOM 0 HB3 GLU A 84 -5.678 -1.950 -16.496 1.00 43.52 H new ATOM 0 HG2 GLU A 84 -7.814 -0.958 -15.972 1.00 70.50 H new ATOM 0 HG3 GLU A 84 -8.127 -0.596 -17.657 1.00 70.50 H new ATOM 1008 N ALA A 85 -6.252 1.639 -15.856 1.00 71.11 N ATOM 1009 CA ALA A 85 -6.303 2.400 -14.639 1.00 13.50 C ATOM 1010 C ALA A 85 -7.141 1.663 -13.636 1.00 53.33 C ATOM 1011 O ALA A 85 -8.339 1.456 -13.838 1.00 4.03 O ATOM 1012 CB ALA A 85 -6.863 3.791 -14.898 1.00 0.21 C ATOM 0 H ALA A 85 -6.921 1.938 -16.565 1.00 71.11 H new ATOM 0 HA ALA A 85 -5.294 2.521 -14.244 1.00 13.50 H new ATOM 0 HB1 ALA A 85 -6.893 4.351 -13.963 1.00 0.21 H new ATOM 0 HB2 ALA A 85 -6.226 4.312 -15.613 1.00 0.21 H new ATOM 0 HB3 ALA A 85 -7.871 3.708 -15.304 1.00 0.21 H new ATOM 1018 N LYS A 86 -6.522 1.263 -12.576 1.00 35.22 N ATOM 1019 CA LYS A 86 -7.167 0.487 -11.571 1.00 20.51 C ATOM 1020 C LYS A 86 -7.052 1.168 -10.225 1.00 73.31 C ATOM 1021 O LYS A 86 -6.173 2.016 -10.014 1.00 65.31 O ATOM 1022 CB LYS A 86 -6.545 -0.908 -11.540 1.00 34.42 C ATOM 1023 CG LYS A 86 -6.770 -1.668 -12.831 1.00 61.31 C ATOM 1024 CD LYS A 86 -6.079 -3.006 -12.847 1.00 72.13 C ATOM 1025 CE LYS A 86 -6.456 -3.762 -14.090 1.00 53.43 C ATOM 1026 NZ LYS A 86 -5.858 -5.108 -14.153 1.00 50.24 N ATOM 0 H LYS A 86 -5.542 1.468 -12.381 1.00 35.22 H new ATOM 0 HA LYS A 86 -8.228 0.394 -11.803 1.00 20.51 H new ATOM 0 HB2 LYS A 86 -5.474 -0.822 -11.354 1.00 34.42 H new ATOM 0 HB3 LYS A 86 -6.968 -1.473 -10.710 1.00 34.42 H new ATOM 0 HG2 LYS A 86 -7.840 -1.815 -12.980 1.00 61.31 H new ATOM 0 HG3 LYS A 86 -6.411 -1.069 -13.668 1.00 61.31 H new ATOM 0 HD2 LYS A 86 -4.999 -2.867 -12.809 1.00 72.13 H new ATOM 0 HD3 LYS A 86 -6.358 -3.580 -11.963 1.00 72.13 H new ATOM 0 HE2 LYS A 86 -7.541 -3.851 -14.139 1.00 53.43 H new ATOM 0 HE3 LYS A 86 -6.143 -3.191 -14.964 1.00 53.43 H new ATOM 0 HZ1 LYS A 86 -6.154 -5.579 -15.032 1.00 50.24 H new ATOM 0 HZ2 LYS A 86 -4.821 -5.028 -14.136 1.00 50.24 H new ATOM 0 HZ3 LYS A 86 -6.176 -5.668 -13.336 1.00 50.24 H new ATOM 1040 N VAL A 87 -7.931 0.827 -9.337 1.00 32.15 N ATOM 1041 CA VAL A 87 -7.953 1.390 -8.017 1.00 33.13 C ATOM 1042 C VAL A 87 -7.925 0.260 -7.005 1.00 74.32 C ATOM 1043 O VAL A 87 -8.509 -0.802 -7.231 1.00 60.10 O ATOM 1044 CB VAL A 87 -9.227 2.285 -7.790 1.00 62.54 C ATOM 1045 CG1 VAL A 87 -9.269 2.868 -6.374 1.00 71.11 C ATOM 1046 CG2 VAL A 87 -9.279 3.410 -8.814 1.00 4.22 C ATOM 0 H VAL A 87 -8.666 0.140 -9.507 1.00 32.15 H new ATOM 0 HA VAL A 87 -7.079 2.030 -7.895 1.00 33.13 H new ATOM 0 HB VAL A 87 -10.099 1.643 -7.915 1.00 62.54 H new ATOM 0 HG11 VAL A 87 -10.164 3.479 -6.259 1.00 71.11 H new ATOM 0 HG12 VAL A 87 -9.288 2.056 -5.647 1.00 71.11 H new ATOM 0 HG13 VAL A 87 -8.385 3.484 -6.208 1.00 71.11 H new ATOM 0 HG21 VAL A 87 -10.167 4.018 -8.641 1.00 4.22 H new ATOM 0 HG22 VAL A 87 -8.389 4.031 -8.717 1.00 4.22 H new ATOM 0 HG23 VAL A 87 -9.319 2.987 -9.818 1.00 4.22 H new ATOM 1056 N ALA A 88 -7.263 0.492 -5.930 1.00 11.11 N ATOM 1057 CA ALA A 88 -7.150 -0.431 -4.853 1.00 53.34 C ATOM 1058 C ALA A 88 -7.977 0.110 -3.735 1.00 14.33 C ATOM 1059 O ALA A 88 -8.082 1.317 -3.581 1.00 14.24 O ATOM 1060 CB ALA A 88 -5.712 -0.577 -4.432 1.00 44.22 C ATOM 0 H ALA A 88 -6.763 1.366 -5.767 1.00 11.11 H new ATOM 0 HA ALA A 88 -7.498 -1.421 -5.148 1.00 53.34 H new ATOM 0 HB1 ALA A 88 -5.645 -1.287 -3.607 1.00 44.22 H new ATOM 0 HB2 ALA A 88 -5.122 -0.941 -5.273 1.00 44.22 H new ATOM 0 HB3 ALA A 88 -5.327 0.391 -4.110 1.00 44.22 H new ATOM 1066 N LYS A 89 -8.660 -0.759 -3.043 1.00 13.30 N ATOM 1067 CA LYS A 89 -9.530 -0.333 -1.994 1.00 30.34 C ATOM 1068 C LYS A 89 -9.022 -0.914 -0.692 1.00 10.22 C ATOM 1069 O LYS A 89 -8.955 -2.148 -0.538 1.00 2.43 O ATOM 1070 CB LYS A 89 -10.989 -0.785 -2.238 1.00 1.23 C ATOM 1071 CG LYS A 89 -11.619 -0.427 -3.619 1.00 1.14 C ATOM 1072 CD LYS A 89 -11.005 -1.236 -4.779 1.00 60.22 C ATOM 1073 CE LYS A 89 -11.652 -0.923 -6.110 1.00 12.44 C ATOM 1074 NZ LYS A 89 -11.059 -1.739 -7.202 1.00 5.13 N ATOM 0 H LYS A 89 -8.628 -1.768 -3.191 1.00 13.30 H new ATOM 0 HA LYS A 89 -9.532 0.756 -1.958 1.00 30.34 H new ATOM 0 HB2 LYS A 89 -11.033 -1.867 -2.116 1.00 1.23 H new ATOM 0 HB3 LYS A 89 -11.614 -0.350 -1.458 1.00 1.23 H new ATOM 0 HG2 LYS A 89 -12.693 -0.609 -3.582 1.00 1.14 H new ATOM 0 HG3 LYS A 89 -11.483 0.637 -3.811 1.00 1.14 H new ATOM 0 HD2 LYS A 89 -9.937 -1.025 -4.839 1.00 60.22 H new ATOM 0 HD3 LYS A 89 -11.109 -2.301 -4.570 1.00 60.22 H new ATOM 0 HE2 LYS A 89 -12.723 -1.114 -6.050 1.00 12.44 H new ATOM 0 HE3 LYS A 89 -11.530 0.136 -6.337 1.00 12.44 H new ATOM 0 HZ1 LYS A 89 -11.423 -1.410 -8.119 1.00 5.13 H new ATOM 0 HZ2 LYS A 89 -10.024 -1.641 -7.186 1.00 5.13 H new ATOM 0 HZ3 LYS A 89 -11.314 -2.738 -7.067 1.00 5.13 H new ATOM 1088 N GLU A 90 -8.727 -0.058 0.249 1.00 60.42 N ATOM 1089 CA GLU A 90 -8.099 -0.434 1.461 1.00 64.24 C ATOM 1090 C GLU A 90 -8.428 0.538 2.587 1.00 11.20 C ATOM 1091 O GLU A 90 -9.020 1.595 2.377 1.00 51.01 O ATOM 1092 CB GLU A 90 -6.561 -0.553 1.310 1.00 54.31 C ATOM 1093 CG GLU A 90 -5.841 0.716 0.827 1.00 53.22 C ATOM 1094 CD GLU A 90 -5.983 0.989 -0.657 1.00 54.24 C ATOM 1095 OE1 GLU A 90 -5.188 0.430 -1.440 1.00 33.54 O ATOM 1096 OE2 GLU A 90 -6.866 1.763 -1.040 1.00 42.31 O ATOM 0 H GLU A 90 -8.926 0.940 0.181 1.00 60.42 H new ATOM 0 HA GLU A 90 -8.495 -1.417 1.716 1.00 64.24 H new ATOM 0 HB2 GLU A 90 -6.141 -0.843 2.273 1.00 54.31 H new ATOM 0 HB3 GLU A 90 -6.344 -1.361 0.611 1.00 54.31 H new ATOM 0 HG2 GLU A 90 -6.228 1.572 1.380 1.00 53.22 H new ATOM 0 HG3 GLU A 90 -4.782 0.633 1.069 1.00 53.22 H new ATOM 1103 N ARG A 91 -8.076 0.132 3.770 1.00 13.12 N ATOM 1104 CA ARG A 91 -8.222 0.903 4.971 1.00 2.20 C ATOM 1105 C ARG A 91 -6.953 0.765 5.810 1.00 60.34 C ATOM 1106 O ARG A 91 -6.335 -0.308 5.816 1.00 34.04 O ATOM 1107 CB ARG A 91 -9.431 0.391 5.764 1.00 72.14 C ATOM 1108 CG ARG A 91 -9.540 0.955 7.164 1.00 50.13 C ATOM 1109 CD ARG A 91 -10.762 0.444 7.881 1.00 73.03 C ATOM 1110 NE ARG A 91 -10.719 0.808 9.294 1.00 2.00 N ATOM 1111 CZ ARG A 91 -11.693 1.424 9.981 1.00 41.42 C ATOM 1112 NH1 ARG A 91 -12.819 1.813 9.371 1.00 73.00 N ATOM 1113 NH2 ARG A 91 -11.531 1.659 11.273 1.00 63.33 N ATOM 0 H ARG A 91 -7.661 -0.785 3.933 1.00 13.12 H new ATOM 0 HA ARG A 91 -8.379 1.952 4.721 1.00 2.20 H new ATOM 0 HB2 ARG A 91 -10.341 0.634 5.215 1.00 72.14 H new ATOM 0 HB3 ARG A 91 -9.377 -0.696 5.826 1.00 72.14 H new ATOM 0 HG2 ARG A 91 -8.648 0.691 7.732 1.00 50.13 H new ATOM 0 HG3 ARG A 91 -9.576 2.043 7.115 1.00 50.13 H new ATOM 0 HD2 ARG A 91 -11.660 0.857 7.421 1.00 73.03 H new ATOM 0 HD3 ARG A 91 -10.822 -0.640 7.781 1.00 73.03 H new ATOM 0 HE ARG A 91 -9.869 0.572 9.807 1.00 2.00 H new ATOM 0 HH11 ARG A 91 -12.944 1.642 8.373 1.00 73.00 H new ATOM 0 HH12 ARG A 91 -13.552 2.280 9.904 1.00 73.00 H new ATOM 0 HH21 ARG A 91 -10.670 1.372 11.740 1.00 63.33 H new ATOM 0 HH22 ARG A 91 -12.267 2.127 11.802 1.00 63.33 H new ATOM 1127 N ILE A 92 -6.549 1.834 6.484 1.00 4.14 N ATOM 1128 CA ILE A 92 -5.408 1.771 7.385 1.00 23.34 C ATOM 1129 C ILE A 92 -5.824 1.148 8.701 1.00 71.23 C ATOM 1130 O ILE A 92 -6.713 1.657 9.389 1.00 31.53 O ATOM 1131 CB ILE A 92 -4.767 3.188 7.617 1.00 4.43 C ATOM 1132 CG1 ILE A 92 -4.036 3.649 6.338 1.00 40.25 C ATOM 1133 CG2 ILE A 92 -3.857 3.243 8.870 1.00 3.21 C ATOM 1134 CD1 ILE A 92 -3.362 5.007 6.439 1.00 21.11 C ATOM 0 H ILE A 92 -6.993 2.751 6.424 1.00 4.14 H new ATOM 0 HA ILE A 92 -4.645 1.147 6.919 1.00 23.34 H new ATOM 0 HB ILE A 92 -5.575 3.889 7.824 1.00 4.43 H new ATOM 0 HG12 ILE A 92 -3.283 2.905 6.079 1.00 40.25 H new ATOM 0 HG13 ILE A 92 -4.753 3.676 5.517 1.00 40.25 H new ATOM 0 HG21 ILE A 92 -3.444 4.246 8.976 1.00 3.21 H new ATOM 0 HG22 ILE A 92 -4.442 2.996 9.756 1.00 3.21 H new ATOM 0 HG23 ILE A 92 -3.043 2.526 8.761 1.00 3.21 H new ATOM 0 HD11 ILE A 92 -2.876 5.243 5.492 1.00 21.11 H new ATOM 0 HD12 ILE A 92 -4.109 5.768 6.663 1.00 21.11 H new ATOM 0 HD13 ILE A 92 -2.617 4.985 7.234 1.00 21.11 H new ATOM 1146 N GLU A 93 -5.165 0.068 9.048 1.00 51.22 N ATOM 1147 CA GLU A 93 -5.448 -0.656 10.275 1.00 4.25 C ATOM 1148 C GLU A 93 -4.422 -0.354 11.323 1.00 72.13 C ATOM 1149 O GLU A 93 -4.737 -0.251 12.500 1.00 52.14 O ATOM 1150 CB GLU A 93 -5.487 -2.145 9.999 1.00 74.21 C ATOM 1151 CG GLU A 93 -6.627 -2.554 9.091 1.00 74.34 C ATOM 1152 CD GLU A 93 -7.983 -2.269 9.706 1.00 41.41 C ATOM 1153 OE1 GLU A 93 -8.432 -1.109 9.703 1.00 20.14 O ATOM 1154 OE2 GLU A 93 -8.617 -3.214 10.222 1.00 33.23 O ATOM 0 H GLU A 93 -4.415 -0.338 8.489 1.00 51.22 H new ATOM 0 HA GLU A 93 -6.421 -0.334 10.647 1.00 4.25 H new ATOM 0 HB2 GLU A 93 -4.543 -2.449 9.546 1.00 74.21 H new ATOM 0 HB3 GLU A 93 -5.574 -2.681 10.944 1.00 74.21 H new ATOM 0 HG2 GLU A 93 -6.542 -2.023 8.143 1.00 74.34 H new ATOM 0 HG3 GLU A 93 -6.548 -3.618 8.869 1.00 74.34 H new ATOM 1161 N ALA A 94 -3.203 -0.203 10.895 1.00 24.40 N ATOM 1162 CA ALA A 94 -2.114 0.105 11.776 1.00 12.22 C ATOM 1163 C ALA A 94 -1.071 0.843 10.999 1.00 34.54 C ATOM 1164 O ALA A 94 -0.811 0.510 9.842 1.00 2.02 O ATOM 1165 CB ALA A 94 -1.527 -1.168 12.378 1.00 45.30 C ATOM 0 H ALA A 94 -2.934 -0.291 9.915 1.00 24.40 H new ATOM 0 HA ALA A 94 -2.473 0.723 12.599 1.00 12.22 H new ATOM 0 HB1 ALA A 94 -0.703 -0.910 13.043 1.00 45.30 H new ATOM 0 HB2 ALA A 94 -2.298 -1.692 12.943 1.00 45.30 H new ATOM 0 HB3 ALA A 94 -1.161 -1.813 11.579 1.00 45.30 H new ATOM 1171 N VAL A 95 -0.508 1.846 11.586 1.00 12.00 N ATOM 1172 CA VAL A 95 0.527 2.606 10.943 1.00 61.31 C ATOM 1173 C VAL A 95 1.529 3.084 11.971 1.00 74.40 C ATOM 1174 O VAL A 95 1.166 3.690 12.994 1.00 71.34 O ATOM 1175 CB VAL A 95 -0.038 3.798 10.086 1.00 44.41 C ATOM 1176 CG1 VAL A 95 -0.882 4.749 10.918 1.00 31.22 C ATOM 1177 CG2 VAL A 95 1.080 4.554 9.378 1.00 72.34 C ATOM 0 H VAL A 95 -0.748 2.167 12.524 1.00 12.00 H new ATOM 0 HA VAL A 95 1.033 1.947 10.238 1.00 61.31 H new ATOM 0 HB VAL A 95 -0.687 3.358 9.328 1.00 44.41 H new ATOM 0 HG11 VAL A 95 -1.251 5.556 10.285 1.00 31.22 H new ATOM 0 HG12 VAL A 95 -1.726 4.208 11.345 1.00 31.22 H new ATOM 0 HG13 VAL A 95 -0.275 5.166 11.721 1.00 31.22 H new ATOM 0 HG21 VAL A 95 0.654 5.371 8.795 1.00 72.34 H new ATOM 0 HG22 VAL A 95 1.771 4.958 10.118 1.00 72.34 H new ATOM 0 HG23 VAL A 95 1.615 3.875 8.714 1.00 72.34 H new ATOM 1187 N GLU A 96 2.769 2.787 11.728 1.00 41.30 N ATOM 1188 CA GLU A 96 3.800 3.191 12.613 1.00 10.03 C ATOM 1189 C GLU A 96 4.711 4.114 11.843 1.00 62.12 C ATOM 1190 O GLU A 96 5.472 3.657 10.981 1.00 4.25 O ATOM 1191 CB GLU A 96 4.592 1.971 13.096 1.00 71.23 C ATOM 1192 CG GLU A 96 5.526 2.244 14.229 1.00 12.20 C ATOM 1193 CD GLU A 96 4.844 2.720 15.480 1.00 74.42 C ATOM 1194 OE1 GLU A 96 4.421 1.877 16.282 1.00 73.44 O ATOM 1195 OE2 GLU A 96 4.734 3.941 15.682 1.00 53.51 O ATOM 0 H GLU A 96 3.086 2.261 10.914 1.00 41.30 H new ATOM 0 HA GLU A 96 3.381 3.691 13.486 1.00 10.03 H new ATOM 0 HB2 GLU A 96 3.889 1.196 13.401 1.00 71.23 H new ATOM 0 HB3 GLU A 96 5.164 1.571 12.259 1.00 71.23 H new ATOM 0 HG2 GLU A 96 6.083 1.335 14.454 1.00 12.20 H new ATOM 0 HG3 GLU A 96 6.252 2.994 13.915 1.00 12.20 H new ATOM 1202 N PRO A 97 4.641 5.420 12.117 1.00 53.23 N ATOM 1203 CA PRO A 97 5.478 6.410 11.445 1.00 24.24 C ATOM 1204 C PRO A 97 6.951 6.179 11.719 1.00 24.34 C ATOM 1205 O PRO A 97 7.788 6.455 10.884 1.00 2.43 O ATOM 1206 CB PRO A 97 5.033 7.747 12.059 1.00 72.43 C ATOM 1207 CG PRO A 97 3.682 7.477 12.621 1.00 73.11 C ATOM 1208 CD PRO A 97 3.702 6.050 13.066 1.00 53.02 C ATOM 0 HA PRO A 97 5.365 6.369 10.362 1.00 24.24 H new ATOM 0 HB2 PRO A 97 5.725 8.076 12.834 1.00 72.43 H new ATOM 0 HB3 PRO A 97 4.998 8.535 11.307 1.00 72.43 H new ATOM 0 HG2 PRO A 97 3.466 8.144 13.456 1.00 73.11 H new ATOM 0 HG3 PRO A 97 2.907 7.642 11.872 1.00 73.11 H new ATOM 0 HD2 PRO A 97 4.044 5.953 14.096 1.00 53.02 H new ATOM 0 HD3 PRO A 97 2.712 5.597 13.015 1.00 53.02 H new ATOM 1216 N ASP A 98 7.247 5.630 12.887 1.00 35.44 N ATOM 1217 CA ASP A 98 8.628 5.410 13.314 1.00 62.31 C ATOM 1218 C ASP A 98 9.235 4.185 12.665 1.00 71.21 C ATOM 1219 O ASP A 98 10.413 4.171 12.327 1.00 23.12 O ATOM 1220 CB ASP A 98 8.715 5.297 14.838 1.00 21.33 C ATOM 1221 CG ASP A 98 10.121 4.997 15.328 1.00 52.20 C ATOM 1222 OD1 ASP A 98 10.943 5.930 15.419 1.00 33.41 O ATOM 1223 OD2 ASP A 98 10.420 3.822 15.620 1.00 43.33 O ATOM 0 H ASP A 98 6.547 5.325 13.563 1.00 35.44 H new ATOM 0 HA ASP A 98 9.204 6.277 12.989 1.00 62.31 H new ATOM 0 HB2 ASP A 98 8.370 6.228 15.287 1.00 21.33 H new ATOM 0 HB3 ASP A 98 8.041 4.511 15.178 1.00 21.33 H new ATOM 1228 N LYS A 99 8.429 3.171 12.469 1.00 2.22 N ATOM 1229 CA LYS A 99 8.911 1.934 11.898 1.00 12.20 C ATOM 1230 C LYS A 99 8.800 1.930 10.406 1.00 61.34 C ATOM 1231 O LYS A 99 9.253 0.983 9.763 1.00 23.33 O ATOM 1232 CB LYS A 99 8.138 0.752 12.411 1.00 74.32 C ATOM 1233 CG LYS A 99 8.229 0.526 13.875 1.00 63.03 C ATOM 1234 CD LYS A 99 7.546 -0.760 14.222 1.00 64.21 C ATOM 1235 CE LYS A 99 7.559 -1.038 15.708 1.00 5.03 C ATOM 1236 NZ LYS A 99 6.767 -0.056 16.479 1.00 65.11 N ATOM 0 H LYS A 99 7.435 3.176 12.696 1.00 2.22 H new ATOM 0 HA LYS A 99 9.957 1.858 12.194 1.00 12.20 H new ATOM 0 HB2 LYS A 99 7.089 0.880 12.144 1.00 74.32 H new ATOM 0 HB3 LYS A 99 8.491 -0.143 11.898 1.00 74.32 H new ATOM 0 HG2 LYS A 99 9.274 0.491 14.185 1.00 63.03 H new ATOM 0 HG3 LYS A 99 7.765 1.354 14.412 1.00 63.03 H new ATOM 0 HD2 LYS A 99 6.515 -0.727 13.871 1.00 64.21 H new ATOM 0 HD3 LYS A 99 8.035 -1.581 13.697 1.00 64.21 H new ATOM 0 HE2 LYS A 99 7.166 -2.038 15.890 1.00 5.03 H new ATOM 0 HE3 LYS A 99 8.588 -1.030 16.066 1.00 5.03 H new ATOM 0 HZ1 LYS A 99 6.683 -0.376 17.465 1.00 65.11 H new ATOM 0 HZ2 LYS A 99 7.242 0.869 16.454 1.00 65.11 H new ATOM 0 HZ3 LYS A 99 5.819 0.030 16.061 1.00 65.11 H new ATOM 1250 N ASN A 100 8.176 2.985 9.855 1.00 5.35 N ATOM 1251 CA ASN A 100 7.910 3.075 8.411 1.00 75.42 C ATOM 1252 C ASN A 100 7.000 1.927 7.995 1.00 22.32 C ATOM 1253 O ASN A 100 7.162 1.329 6.928 1.00 44.31 O ATOM 1254 CB ASN A 100 9.216 3.034 7.606 1.00 35.11 C ATOM 1255 CG ASN A 100 10.097 4.263 7.764 1.00 23.40 C ATOM 1256 OD1 ASN A 100 10.088 4.948 8.788 1.00 50.31 O ATOM 1257 ND2 ASN A 100 10.883 4.527 6.764 1.00 54.43 N ATOM 0 H ASN A 100 7.846 3.788 10.390 1.00 5.35 H new ATOM 0 HA ASN A 100 7.419 4.026 8.203 1.00 75.42 H new ATOM 0 HB2 ASN A 100 9.785 2.154 7.907 1.00 35.11 H new ATOM 0 HB3 ASN A 100 8.973 2.911 6.551 1.00 35.11 H new ATOM 0 HD21 ASN A 100 11.519 5.323 6.812 1.00 54.43 H new ATOM 0 HD22 ASN A 100 10.864 3.938 5.931 1.00 54.43 H new ATOM 1264 N LEU A 101 6.004 1.682 8.822 1.00 64.24 N ATOM 1265 CA LEU A 101 5.084 0.582 8.641 1.00 4.05 C ATOM 1266 C LEU A 101 3.685 1.070 8.455 1.00 53.21 C ATOM 1267 O LEU A 101 3.260 2.027 9.103 1.00 42.25 O ATOM 1268 CB LEU A 101 5.171 -0.412 9.851 1.00 43.55 C ATOM 1269 CG LEU A 101 4.043 -1.489 9.993 1.00 31.54 C ATOM 1270 CD1 LEU A 101 4.504 -2.614 10.855 1.00 65.31 C ATOM 1271 CD2 LEU A 101 2.791 -0.906 10.664 1.00 24.33 C ATOM 0 H LEU A 101 5.810 2.249 9.648 1.00 64.24 H new ATOM 0 HA LEU A 101 5.371 0.049 7.735 1.00 4.05 H new ATOM 0 HB2 LEU A 101 6.126 -0.933 9.788 1.00 43.55 H new ATOM 0 HB3 LEU A 101 5.189 0.177 10.768 1.00 43.55 H new ATOM 0 HG LEU A 101 3.809 -1.830 8.984 1.00 31.54 H new ATOM 0 HD11 LEU A 101 3.709 -3.354 10.944 1.00 65.31 H new ATOM 0 HD12 LEU A 101 5.383 -3.078 10.408 1.00 65.31 H new ATOM 0 HD13 LEU A 101 4.758 -2.234 11.845 1.00 65.31 H new ATOM 0 HD21 LEU A 101 2.028 -1.680 10.747 1.00 24.33 H new ATOM 0 HD22 LEU A 101 3.048 -0.542 11.659 1.00 24.33 H new ATOM 0 HD23 LEU A 101 2.407 -0.081 10.064 1.00 24.33 H new ATOM 1283 N ILE A 102 2.975 0.409 7.579 1.00 2.11 N ATOM 1284 CA ILE A 102 1.592 0.677 7.353 1.00 53.12 C ATOM 1285 C ILE A 102 0.855 -0.601 6.904 1.00 4.33 C ATOM 1286 O ILE A 102 1.256 -1.277 5.943 1.00 33.44 O ATOM 1287 CB ILE A 102 1.388 1.859 6.365 1.00 45.32 C ATOM 1288 CG1 ILE A 102 -0.101 2.117 6.086 1.00 61.22 C ATOM 1289 CG2 ILE A 102 2.183 1.665 5.079 1.00 73.31 C ATOM 1290 CD1 ILE A 102 -0.354 3.312 5.187 1.00 72.12 C ATOM 0 H ILE A 102 3.353 -0.340 6.998 1.00 2.11 H new ATOM 0 HA ILE A 102 1.149 0.992 8.298 1.00 53.12 H new ATOM 0 HB ILE A 102 1.781 2.753 6.849 1.00 45.32 H new ATOM 0 HG12 ILE A 102 -0.535 1.229 5.626 1.00 61.22 H new ATOM 0 HG13 ILE A 102 -0.618 2.270 7.033 1.00 61.22 H new ATOM 0 HG21 ILE A 102 2.013 2.513 4.415 1.00 73.31 H new ATOM 0 HG22 ILE A 102 3.245 1.596 5.315 1.00 73.31 H new ATOM 0 HG23 ILE A 102 1.860 0.748 4.586 1.00 73.31 H new ATOM 0 HD11 ILE A 102 -1.427 3.432 5.035 1.00 72.12 H new ATOM 0 HD12 ILE A 102 0.049 4.211 5.654 1.00 72.12 H new ATOM 0 HD13 ILE A 102 0.134 3.153 4.225 1.00 72.12 H new ATOM 1302 N THR A 103 -0.167 -0.943 7.645 1.00 73.33 N ATOM 1303 CA THR A 103 -1.003 -2.091 7.372 1.00 22.13 C ATOM 1304 C THR A 103 -2.294 -1.676 6.617 1.00 11.43 C ATOM 1305 O THR A 103 -3.095 -0.861 7.115 1.00 24.30 O ATOM 1306 CB THR A 103 -1.396 -2.761 8.712 1.00 71.00 C ATOM 1307 OG1 THR A 103 -0.210 -3.148 9.424 1.00 33.11 O ATOM 1308 CG2 THR A 103 -2.257 -3.986 8.487 1.00 60.31 C ATOM 0 H THR A 103 -0.450 -0.421 8.475 1.00 73.33 H new ATOM 0 HA THR A 103 -0.443 -2.785 6.745 1.00 22.13 H new ATOM 0 HB THR A 103 -1.968 -2.037 9.292 1.00 71.00 H new ATOM 0 HG1 THR A 103 -0.461 -3.570 10.272 1.00 33.11 H new ATOM 0 HG21 THR A 103 -2.514 -4.431 9.448 1.00 60.31 H new ATOM 0 HG22 THR A 103 -3.169 -3.699 7.964 1.00 60.31 H new ATOM 0 HG23 THR A 103 -1.708 -4.711 7.886 1.00 60.31 H new ATOM 1316 N PHE A 104 -2.469 -2.258 5.431 1.00 72.44 N ATOM 1317 CA PHE A 104 -3.608 -2.018 4.557 1.00 55.02 C ATOM 1318 C PHE A 104 -4.572 -3.198 4.641 1.00 2.53 C ATOM 1319 O PHE A 104 -4.153 -4.361 4.559 1.00 31.11 O ATOM 1320 CB PHE A 104 -3.142 -1.898 3.084 1.00 52.13 C ATOM 1321 CG PHE A 104 -2.197 -0.776 2.795 1.00 35.31 C ATOM 1322 CD1 PHE A 104 -2.656 0.522 2.683 1.00 55.53 C ATOM 1323 CD2 PHE A 104 -0.853 -1.026 2.604 1.00 73.42 C ATOM 1324 CE1 PHE A 104 -1.789 1.553 2.387 1.00 35.32 C ATOM 1325 CE2 PHE A 104 0.018 -0.005 2.311 1.00 34.52 C ATOM 1326 CZ PHE A 104 -0.447 1.286 2.201 1.00 53.40 C ATOM 0 H PHE A 104 -1.803 -2.927 5.045 1.00 72.44 H new ATOM 0 HA PHE A 104 -4.093 -1.094 4.874 1.00 55.02 H new ATOM 0 HB2 PHE A 104 -2.665 -2.835 2.795 1.00 52.13 H new ATOM 0 HB3 PHE A 104 -4.022 -1.780 2.452 1.00 52.13 H new ATOM 0 HD1 PHE A 104 -3.705 0.732 2.829 1.00 55.53 H new ATOM 0 HD2 PHE A 104 -0.482 -2.037 2.686 1.00 73.42 H new ATOM 0 HE1 PHE A 104 -2.158 2.564 2.301 1.00 35.32 H new ATOM 0 HE2 PHE A 104 1.068 -0.215 2.167 1.00 34.52 H new ATOM 0 HZ PHE A 104 0.237 2.089 1.969 1.00 53.40 H new ATOM 1336 N ARG A 105 -5.827 -2.906 4.830 1.00 2.02 N ATOM 1337 CA ARG A 105 -6.875 -3.915 4.823 1.00 71.21 C ATOM 1338 C ARG A 105 -7.761 -3.716 3.617 1.00 22.45 C ATOM 1339 O ARG A 105 -8.267 -2.627 3.418 1.00 55.35 O ATOM 1340 CB ARG A 105 -7.757 -3.777 6.062 1.00 53.11 C ATOM 1341 CG ARG A 105 -8.973 -4.685 6.026 1.00 41.12 C ATOM 1342 CD ARG A 105 -9.952 -4.375 7.131 1.00 21.21 C ATOM 1343 NE ARG A 105 -11.178 -5.149 6.957 1.00 24.21 N ATOM 1344 CZ ARG A 105 -12.310 -4.984 7.640 1.00 62.54 C ATOM 1345 NH1 ARG A 105 -12.382 -4.100 8.632 1.00 64.24 N ATOM 1346 NH2 ARG A 105 -13.371 -5.704 7.316 1.00 23.32 N ATOM 0 H ARG A 105 -6.165 -1.958 4.995 1.00 2.02 H new ATOM 0 HA ARG A 105 -6.399 -4.896 4.804 1.00 71.21 H new ATOM 0 HB2 ARG A 105 -7.166 -4.004 6.949 1.00 53.11 H new ATOM 0 HB3 ARG A 105 -8.086 -2.742 6.154 1.00 53.11 H new ATOM 0 HG2 ARG A 105 -9.472 -4.582 5.062 1.00 41.12 H new ATOM 0 HG3 ARG A 105 -8.651 -5.723 6.109 1.00 41.12 H new ATOM 0 HD2 ARG A 105 -9.504 -4.604 8.098 1.00 21.21 H new ATOM 0 HD3 ARG A 105 -10.184 -3.310 7.132 1.00 21.21 H new ATOM 0 HE ARG A 105 -11.167 -5.882 6.248 1.00 24.21 H new ATOM 0 HH11 ARG A 105 -11.565 -3.540 8.876 1.00 64.24 H new ATOM 0 HH12 ARG A 105 -13.254 -3.982 9.148 1.00 64.24 H new ATOM 0 HH21 ARG A 105 -13.317 -6.376 6.551 1.00 23.32 H new ATOM 0 HH22 ARG A 105 -14.243 -5.587 7.831 1.00 23.32 H new ATOM 1360 N VAL A 106 -7.964 -4.744 2.828 1.00 72.44 N ATOM 1361 CA VAL A 106 -8.895 -4.638 1.723 1.00 4.43 C ATOM 1362 C VAL A 106 -10.318 -4.797 2.255 1.00 64.14 C ATOM 1363 O VAL A 106 -10.636 -5.773 2.936 1.00 73.24 O ATOM 1364 CB VAL A 106 -8.586 -5.638 0.593 1.00 62.43 C ATOM 1365 CG1 VAL A 106 -9.666 -5.596 -0.468 1.00 71.44 C ATOM 1366 CG2 VAL A 106 -7.252 -5.281 -0.038 1.00 75.30 C ATOM 0 H VAL A 106 -7.507 -5.651 2.925 1.00 72.44 H new ATOM 0 HA VAL A 106 -8.789 -3.651 1.272 1.00 4.43 H new ATOM 0 HB VAL A 106 -8.547 -6.643 1.014 1.00 62.43 H new ATOM 0 HG11 VAL A 106 -9.429 -6.310 -1.257 1.00 71.44 H new ATOM 0 HG12 VAL A 106 -10.626 -5.855 -0.021 1.00 71.44 H new ATOM 0 HG13 VAL A 106 -9.722 -4.593 -0.891 1.00 71.44 H new ATOM 0 HG21 VAL A 106 -7.028 -5.986 -0.839 1.00 75.30 H new ATOM 0 HG22 VAL A 106 -7.301 -4.272 -0.446 1.00 75.30 H new ATOM 0 HG23 VAL A 106 -6.468 -5.329 0.717 1.00 75.30 H new ATOM 1376 N ILE A 107 -11.150 -3.821 1.968 1.00 52.21 N ATOM 1377 CA ILE A 107 -12.481 -3.756 2.566 1.00 15.23 C ATOM 1378 C ILE A 107 -13.617 -3.977 1.552 1.00 12.41 C ATOM 1379 O ILE A 107 -14.744 -4.292 1.929 1.00 75.10 O ATOM 1380 CB ILE A 107 -12.723 -2.371 3.282 1.00 44.51 C ATOM 1381 CG1 ILE A 107 -12.872 -1.184 2.279 1.00 60.44 C ATOM 1382 CG2 ILE A 107 -11.567 -2.061 4.226 1.00 53.22 C ATOM 1383 CD1 ILE A 107 -11.647 -0.807 1.504 1.00 12.24 C ATOM 0 H ILE A 107 -10.936 -3.058 1.326 1.00 52.21 H new ATOM 0 HA ILE A 107 -12.504 -4.570 3.291 1.00 15.23 H new ATOM 0 HB ILE A 107 -13.660 -2.470 3.830 1.00 44.51 H new ATOM 0 HG12 ILE A 107 -13.661 -1.434 1.570 1.00 60.44 H new ATOM 0 HG13 ILE A 107 -13.208 -0.308 2.834 1.00 60.44 H new ATOM 0 HG21 ILE A 107 -11.744 -1.103 4.715 1.00 53.22 H new ATOM 0 HG22 ILE A 107 -11.492 -2.845 4.980 1.00 53.22 H new ATOM 0 HG23 ILE A 107 -10.637 -2.013 3.659 1.00 53.22 H new ATOM 0 HD11 ILE A 107 -11.877 0.029 0.843 1.00 12.24 H new ATOM 0 HD12 ILE A 107 -10.855 -0.516 2.194 1.00 12.24 H new ATOM 0 HD13 ILE A 107 -11.316 -1.659 0.910 1.00 12.24 H new ATOM 1395 N GLU A 108 -13.311 -3.808 0.291 1.00 62.12 N ATOM 1396 CA GLU A 108 -14.311 -3.820 -0.776 1.00 30.33 C ATOM 1397 C GLU A 108 -15.266 -5.043 -0.922 1.00 5.10 C ATOM 1398 O GLU A 108 -16.413 -4.986 -0.460 1.00 32.12 O ATOM 1399 CB GLU A 108 -13.770 -3.266 -2.068 1.00 70.11 C ATOM 1400 CG GLU A 108 -12.439 -3.802 -2.484 1.00 2.42 C ATOM 1401 CD GLU A 108 -12.458 -5.173 -3.068 1.00 12.41 C ATOM 1402 OE1 GLU A 108 -12.627 -5.291 -4.275 1.00 25.25 O ATOM 1403 OE2 GLU A 108 -12.327 -6.148 -2.330 1.00 70.43 O ATOM 0 H GLU A 108 -12.358 -3.656 -0.039 1.00 62.12 H new ATOM 0 HA GLU A 108 -15.051 -3.117 -0.394 1.00 30.33 H new ATOM 0 HB2 GLU A 108 -14.489 -3.470 -2.861 1.00 70.11 H new ATOM 0 HB3 GLU A 108 -13.695 -2.182 -1.976 1.00 70.11 H new ATOM 0 HG2 GLU A 108 -12.003 -3.120 -3.214 1.00 2.42 H new ATOM 0 HG3 GLU A 108 -11.779 -3.804 -1.616 1.00 2.42 H new ATOM 1410 N GLY A 109 -14.817 -6.109 -1.528 1.00 75.43 N ATOM 1411 CA GLY A 109 -15.677 -7.241 -1.772 1.00 4.53 C ATOM 1412 C GLY A 109 -15.192 -8.085 -2.939 1.00 14.51 C ATOM 1413 O GLY A 109 -15.238 -9.300 -2.882 1.00 75.01 O ATOM 0 H GLY A 109 -13.860 -6.220 -1.863 1.00 75.43 H new ATOM 0 HA2 GLY A 109 -15.727 -7.858 -0.875 1.00 4.53 H new ATOM 0 HA3 GLY A 109 -16.689 -6.890 -1.974 1.00 4.53 H new ATOM 1417 N ASP A 110 -14.710 -7.428 -3.980 1.00 1.52 N ATOM 1418 CA ASP A 110 -14.215 -8.093 -5.212 1.00 32.52 C ATOM 1419 C ASP A 110 -12.920 -8.885 -4.955 1.00 42.43 C ATOM 1420 O ASP A 110 -12.786 -10.034 -5.392 1.00 5.41 O ATOM 1421 CB ASP A 110 -14.048 -7.054 -6.336 1.00 73.10 C ATOM 1422 CG ASP A 110 -13.463 -7.579 -7.616 1.00 33.13 C ATOM 1423 OD1 ASP A 110 -14.180 -8.251 -8.379 1.00 64.32 O ATOM 1424 OD2 ASP A 110 -12.286 -7.287 -7.898 1.00 75.05 O ATOM 0 H ASP A 110 -14.643 -6.411 -4.012 1.00 1.52 H new ATOM 0 HA ASP A 110 -14.956 -8.825 -5.533 1.00 32.52 H new ATOM 0 HB2 ASP A 110 -15.023 -6.619 -6.554 1.00 73.10 H new ATOM 0 HB3 ASP A 110 -13.413 -6.247 -5.970 1.00 73.10 H new ATOM 1429 N LEU A 111 -11.982 -8.290 -4.228 1.00 22.44 N ATOM 1430 CA LEU A 111 -10.756 -9.011 -3.821 1.00 55.50 C ATOM 1431 C LEU A 111 -11.093 -9.993 -2.715 1.00 44.01 C ATOM 1432 O LEU A 111 -10.440 -11.023 -2.537 1.00 53.21 O ATOM 1433 CB LEU A 111 -9.657 -8.045 -3.360 1.00 34.44 C ATOM 1434 CG LEU A 111 -8.968 -7.212 -4.445 1.00 51.20 C ATOM 1435 CD1 LEU A 111 -8.022 -6.207 -3.812 1.00 33.14 C ATOM 1436 CD2 LEU A 111 -8.180 -8.125 -5.374 1.00 33.23 C ATOM 0 H LEU A 111 -12.034 -7.324 -3.906 1.00 22.44 H new ATOM 0 HA LEU A 111 -10.372 -9.550 -4.687 1.00 55.50 H new ATOM 0 HB2 LEU A 111 -10.091 -7.361 -2.631 1.00 34.44 H new ATOM 0 HB3 LEU A 111 -8.893 -8.623 -2.840 1.00 34.44 H new ATOM 0 HG LEU A 111 -9.731 -6.680 -5.014 1.00 51.20 H new ATOM 0 HD11 LEU A 111 -7.538 -5.621 -4.593 1.00 33.14 H new ATOM 0 HD12 LEU A 111 -8.583 -5.543 -3.155 1.00 33.14 H new ATOM 0 HD13 LEU A 111 -7.264 -6.735 -3.233 1.00 33.14 H new ATOM 0 HD21 LEU A 111 -7.692 -7.527 -6.144 1.00 33.23 H new ATOM 0 HD22 LEU A 111 -7.426 -8.664 -4.801 1.00 33.23 H new ATOM 0 HD23 LEU A 111 -8.857 -8.838 -5.844 1.00 33.23 H new ATOM 1448 N MET A 112 -12.152 -9.678 -2.005 1.00 11.20 N ATOM 1449 CA MET A 112 -12.674 -10.520 -0.938 1.00 32.31 C ATOM 1450 C MET A 112 -13.333 -11.787 -1.521 1.00 33.12 C ATOM 1451 O MET A 112 -13.764 -12.662 -0.790 1.00 42.42 O ATOM 1452 CB MET A 112 -13.680 -9.747 -0.081 1.00 62.52 C ATOM 1453 CG MET A 112 -13.131 -8.533 0.707 1.00 41.35 C ATOM 1454 SD MET A 112 -12.327 -8.918 2.311 1.00 32.03 S ATOM 1455 CE MET A 112 -10.942 -9.956 1.872 1.00 0.50 C ATOM 0 H MET A 112 -12.686 -8.821 -2.149 1.00 11.20 H new ATOM 0 HA MET A 112 -11.840 -10.821 -0.305 1.00 32.31 H new ATOM 0 HB2 MET A 112 -14.483 -9.397 -0.730 1.00 62.52 H new ATOM 0 HB3 MET A 112 -14.126 -10.442 0.631 1.00 62.52 H new ATOM 0 HG2 MET A 112 -12.411 -8.011 0.077 1.00 41.35 H new ATOM 0 HG3 MET A 112 -13.953 -7.842 0.891 1.00 41.35 H new ATOM 0 HE1 MET A 112 -10.055 -9.628 2.414 1.00 0.50 H new ATOM 0 HE2 MET A 112 -11.165 -10.990 2.133 1.00 0.50 H new ATOM 0 HE3 MET A 112 -10.759 -9.884 0.800 1.00 0.50 H new ATOM 1465 N LYS A 113 -13.437 -11.855 -2.845 1.00 5.10 N ATOM 1466 CA LYS A 113 -13.973 -13.037 -3.505 1.00 43.25 C ATOM 1467 C LYS A 113 -12.866 -14.050 -3.768 1.00 64.33 C ATOM 1468 O LYS A 113 -13.119 -15.174 -4.187 1.00 63.32 O ATOM 1469 CB LYS A 113 -14.695 -12.686 -4.812 1.00 23.31 C ATOM 1470 CG LYS A 113 -15.881 -11.749 -4.643 1.00 63.25 C ATOM 1471 CD LYS A 113 -16.905 -12.322 -3.682 1.00 32.23 C ATOM 1472 CE LYS A 113 -18.082 -11.393 -3.505 1.00 41.12 C ATOM 1473 NZ LYS A 113 -19.047 -11.927 -2.530 1.00 24.41 N ATOM 0 H LYS A 113 -13.157 -11.107 -3.479 1.00 5.10 H new ATOM 0 HA LYS A 113 -14.708 -13.479 -2.832 1.00 43.25 H new ATOM 0 HB2 LYS A 113 -13.980 -12.228 -5.496 1.00 23.31 H new ATOM 0 HB3 LYS A 113 -15.040 -13.608 -5.281 1.00 23.31 H new ATOM 0 HG2 LYS A 113 -15.534 -10.783 -4.275 1.00 63.25 H new ATOM 0 HG3 LYS A 113 -16.348 -11.572 -5.612 1.00 63.25 H new ATOM 0 HD2 LYS A 113 -17.254 -13.286 -4.053 1.00 32.23 H new ATOM 0 HD3 LYS A 113 -16.436 -12.504 -2.715 1.00 32.23 H new ATOM 0 HE2 LYS A 113 -17.730 -10.416 -3.173 1.00 41.12 H new ATOM 0 HE3 LYS A 113 -18.577 -11.244 -4.465 1.00 41.12 H new ATOM 0 HZ1 LYS A 113 -19.843 -11.265 -2.432 1.00 24.41 H new ATOM 0 HZ2 LYS A 113 -19.401 -12.848 -2.860 1.00 24.41 H new ATOM 0 HZ3 LYS A 113 -18.580 -12.046 -1.609 1.00 24.41 H new ATOM 1487 N GLU A 114 -11.643 -13.638 -3.542 1.00 44.32 N ATOM 1488 CA GLU A 114 -10.507 -14.530 -3.685 1.00 62.44 C ATOM 1489 C GLU A 114 -9.983 -14.908 -2.311 1.00 13.25 C ATOM 1490 O GLU A 114 -9.482 -16.022 -2.091 1.00 61.11 O ATOM 1491 CB GLU A 114 -9.400 -13.881 -4.532 1.00 35.21 C ATOM 1492 CG GLU A 114 -9.823 -13.578 -5.960 1.00 45.52 C ATOM 1493 CD GLU A 114 -8.726 -12.949 -6.798 1.00 32.23 C ATOM 1494 OE1 GLU A 114 -7.956 -13.690 -7.450 1.00 3.42 O ATOM 1495 OE2 GLU A 114 -8.650 -11.709 -6.854 1.00 74.52 O ATOM 0 H GLU A 114 -11.403 -12.688 -3.257 1.00 44.32 H new ATOM 0 HA GLU A 114 -10.831 -15.433 -4.204 1.00 62.44 H new ATOM 0 HB2 GLU A 114 -9.083 -12.955 -4.052 1.00 35.21 H new ATOM 0 HB3 GLU A 114 -8.534 -14.543 -4.551 1.00 35.21 H new ATOM 0 HG2 GLU A 114 -10.149 -14.502 -6.437 1.00 45.52 H new ATOM 0 HG3 GLU A 114 -10.683 -12.909 -5.941 1.00 45.52 H new ATOM 1502 N TYR A 115 -10.135 -13.991 -1.378 1.00 42.11 N ATOM 1503 CA TYR A 115 -9.661 -14.177 -0.034 1.00 52.03 C ATOM 1504 C TYR A 115 -10.769 -13.833 0.926 1.00 61.03 C ATOM 1505 O TYR A 115 -11.455 -12.859 0.729 1.00 2.55 O ATOM 1506 CB TYR A 115 -8.464 -13.257 0.222 1.00 64.24 C ATOM 1507 CG TYR A 115 -7.389 -13.399 -0.813 1.00 2.33 C ATOM 1508 CD1 TYR A 115 -6.516 -14.463 -0.787 1.00 53.32 C ATOM 1509 CD2 TYR A 115 -7.277 -12.476 -1.847 1.00 1.32 C ATOM 1510 CE1 TYR A 115 -5.552 -14.607 -1.755 1.00 22.21 C ATOM 1511 CE2 TYR A 115 -6.323 -12.620 -2.823 1.00 41.45 C ATOM 1512 CZ TYR A 115 -5.462 -13.687 -2.771 1.00 4.52 C ATOM 1513 OH TYR A 115 -4.520 -13.849 -3.741 1.00 22.40 O ATOM 0 H TYR A 115 -10.594 -13.094 -1.537 1.00 42.11 H new ATOM 0 HA TYR A 115 -9.354 -15.213 0.107 1.00 52.03 H new ATOM 0 HB2 TYR A 115 -8.806 -12.222 0.245 1.00 64.24 H new ATOM 0 HB3 TYR A 115 -8.047 -13.476 1.205 1.00 64.24 H new ATOM 0 HD1 TYR A 115 -6.590 -15.194 0.005 1.00 53.32 H new ATOM 0 HD2 TYR A 115 -7.951 -11.633 -1.883 1.00 1.32 H new ATOM 0 HE1 TYR A 115 -4.867 -15.441 -1.717 1.00 22.21 H new ATOM 0 HE2 TYR A 115 -6.251 -11.900 -3.625 1.00 41.45 H new ATOM 0 HH TYR A 115 -4.587 -13.115 -4.387 1.00 22.40 H new ATOM 1523 N LYS A 116 -10.926 -14.619 1.966 1.00 14.02 N ATOM 1524 CA LYS A 116 -11.979 -14.384 2.960 1.00 45.53 C ATOM 1525 C LYS A 116 -11.549 -13.230 3.862 1.00 12.22 C ATOM 1526 O LYS A 116 -12.342 -12.646 4.593 1.00 21.41 O ATOM 1527 CB LYS A 116 -12.221 -15.644 3.799 1.00 11.41 C ATOM 1528 CG LYS A 116 -12.490 -16.882 2.989 1.00 44.23 C ATOM 1529 CD LYS A 116 -12.731 -18.107 3.852 1.00 65.32 C ATOM 1530 CE LYS A 116 -13.942 -17.944 4.761 1.00 40.23 C ATOM 1531 NZ LYS A 116 -14.157 -19.140 5.596 1.00 33.31 N ATOM 0 H LYS A 116 -10.342 -15.433 2.157 1.00 14.02 H new ATOM 0 HA LYS A 116 -12.910 -14.134 2.451 1.00 45.53 H new ATOM 0 HB2 LYS A 116 -11.350 -15.819 4.431 1.00 11.41 H new ATOM 0 HB3 LYS A 116 -13.067 -15.467 4.464 1.00 11.41 H new ATOM 0 HG2 LYS A 116 -13.360 -16.714 2.354 1.00 44.23 H new ATOM 0 HG3 LYS A 116 -11.644 -17.069 2.328 1.00 44.23 H new ATOM 0 HD2 LYS A 116 -12.875 -18.977 3.212 1.00 65.32 H new ATOM 0 HD3 LYS A 116 -11.847 -18.301 4.459 1.00 65.32 H new ATOM 0 HE2 LYS A 116 -13.803 -17.073 5.401 1.00 40.23 H new ATOM 0 HE3 LYS A 116 -14.829 -17.757 4.156 1.00 40.23 H new ATOM 0 HZ1 LYS A 116 -14.989 -18.995 6.203 1.00 33.31 H new ATOM 0 HZ2 LYS A 116 -14.314 -19.967 4.985 1.00 33.31 H new ATOM 0 HZ3 LYS A 116 -13.320 -19.303 6.191 1.00 33.31 H new ATOM 1545 N SER A 117 -10.275 -12.938 3.792 1.00 71.32 N ATOM 1546 CA SER A 117 -9.653 -11.874 4.495 1.00 42.02 C ATOM 1547 C SER A 117 -8.343 -11.620 3.809 1.00 65.53 C ATOM 1548 O SER A 117 -7.682 -12.575 3.387 1.00 73.21 O ATOM 1549 CB SER A 117 -9.426 -12.274 5.934 1.00 54.40 C ATOM 1550 OG SER A 117 -8.833 -11.234 6.697 1.00 54.43 O ATOM 0 H SER A 117 -9.624 -13.468 3.213 1.00 71.32 H new ATOM 0 HA SER A 117 -10.273 -10.978 4.495 1.00 42.02 H new ATOM 0 HB2 SER A 117 -10.378 -12.554 6.385 1.00 54.40 H new ATOM 0 HB3 SER A 117 -8.786 -13.156 5.967 1.00 54.40 H new ATOM 0 HG SER A 117 -8.707 -11.537 7.620 1.00 54.43 H new ATOM 1556 N PHE A 118 -7.981 -10.373 3.656 1.00 61.13 N ATOM 1557 CA PHE A 118 -6.758 -10.024 2.985 1.00 5.21 C ATOM 1558 C PHE A 118 -6.160 -8.797 3.632 1.00 34.04 C ATOM 1559 O PHE A 118 -6.731 -7.694 3.566 1.00 63.01 O ATOM 1560 CB PHE A 118 -6.995 -9.819 1.472 1.00 1.34 C ATOM 1561 CG PHE A 118 -5.760 -9.449 0.692 1.00 14.33 C ATOM 1562 CD1 PHE A 118 -4.803 -10.393 0.399 1.00 63.55 C ATOM 1563 CD2 PHE A 118 -5.560 -8.157 0.266 1.00 64.42 C ATOM 1564 CE1 PHE A 118 -3.670 -10.052 -0.303 1.00 42.21 C ATOM 1565 CE2 PHE A 118 -4.432 -7.805 -0.437 1.00 11.43 C ATOM 1566 CZ PHE A 118 -3.484 -8.754 -0.721 1.00 53.30 C ATOM 0 H PHE A 118 -8.522 -9.576 3.991 1.00 61.13 H new ATOM 0 HA PHE A 118 -6.047 -10.845 3.083 1.00 5.21 H new ATOM 0 HB2 PHE A 118 -7.412 -10.735 1.055 1.00 1.34 H new ATOM 0 HB3 PHE A 118 -7.743 -9.038 1.337 1.00 1.34 H new ATOM 0 HD1 PHE A 118 -4.943 -11.413 0.724 1.00 63.55 H new ATOM 0 HD2 PHE A 118 -6.303 -7.405 0.488 1.00 64.42 H new ATOM 0 HE1 PHE A 118 -2.927 -10.803 -0.526 1.00 42.21 H new ATOM 0 HE2 PHE A 118 -4.293 -6.785 -0.764 1.00 11.43 H new ATOM 0 HZ PHE A 118 -2.594 -8.484 -1.271 1.00 53.30 H new ATOM 1576 N LEU A 119 -5.036 -8.988 4.269 1.00 20.11 N ATOM 1577 CA LEU A 119 -4.374 -7.936 4.968 1.00 22.24 C ATOM 1578 C LEU A 119 -2.924 -7.882 4.492 1.00 32.45 C ATOM 1579 O LEU A 119 -2.286 -8.923 4.306 1.00 72.13 O ATOM 1580 CB LEU A 119 -4.430 -8.237 6.472 1.00 63.35 C ATOM 1581 CG LEU A 119 -3.987 -7.127 7.417 1.00 14.21 C ATOM 1582 CD1 LEU A 119 -4.935 -5.947 7.321 1.00 62.21 C ATOM 1583 CD2 LEU A 119 -3.918 -7.638 8.843 1.00 3.11 C ATOM 0 H LEU A 119 -4.556 -9.887 4.314 1.00 20.11 H new ATOM 0 HA LEU A 119 -4.854 -6.976 4.778 1.00 22.24 H new ATOM 0 HB2 LEU A 119 -5.455 -8.508 6.725 1.00 63.35 H new ATOM 0 HB3 LEU A 119 -3.811 -9.113 6.665 1.00 63.35 H new ATOM 0 HG LEU A 119 -2.990 -6.798 7.123 1.00 14.21 H new ATOM 0 HD11 LEU A 119 -4.607 -5.161 8.001 1.00 62.21 H new ATOM 0 HD12 LEU A 119 -4.939 -5.565 6.300 1.00 62.21 H new ATOM 0 HD13 LEU A 119 -5.941 -6.266 7.593 1.00 62.21 H new ATOM 0 HD21 LEU A 119 -3.600 -6.831 9.504 1.00 3.11 H new ATOM 0 HD22 LEU A 119 -4.902 -7.992 9.151 1.00 3.11 H new ATOM 0 HD23 LEU A 119 -3.203 -8.458 8.901 1.00 3.11 H new ATOM 1595 N LEU A 120 -2.416 -6.702 4.267 1.00 44.41 N ATOM 1596 CA LEU A 120 -1.043 -6.558 3.839 1.00 12.11 C ATOM 1597 C LEU A 120 -0.390 -5.400 4.544 1.00 2.54 C ATOM 1598 O LEU A 120 -0.988 -4.358 4.722 1.00 45.24 O ATOM 1599 CB LEU A 120 -0.885 -6.425 2.296 1.00 24.24 C ATOM 1600 CG LEU A 120 -1.508 -5.197 1.584 1.00 74.21 C ATOM 1601 CD1 LEU A 120 -1.059 -5.168 0.136 1.00 55.22 C ATOM 1602 CD2 LEU A 120 -3.028 -5.230 1.630 1.00 53.32 C ATOM 0 H LEU A 120 -2.927 -5.825 4.371 1.00 44.41 H new ATOM 0 HA LEU A 120 -0.536 -7.482 4.116 1.00 12.11 H new ATOM 0 HB2 LEU A 120 0.182 -6.430 2.072 1.00 24.24 H new ATOM 0 HB3 LEU A 120 -1.310 -7.320 1.842 1.00 24.24 H new ATOM 0 HG LEU A 120 -1.169 -4.303 2.108 1.00 74.21 H new ATOM 0 HD11 LEU A 120 -1.498 -4.304 -0.364 1.00 55.22 H new ATOM 0 HD12 LEU A 120 0.028 -5.099 0.093 1.00 55.22 H new ATOM 0 HD13 LEU A 120 -1.384 -6.080 -0.364 1.00 55.22 H new ATOM 0 HD21 LEU A 120 -3.427 -4.353 1.121 1.00 53.32 H new ATOM 0 HD22 LEU A 120 -3.388 -6.132 1.135 1.00 53.32 H new ATOM 0 HD23 LEU A 120 -3.361 -5.229 2.668 1.00 53.32 H new ATOM 1614 N THR A 121 0.805 -5.597 4.968 1.00 50.23 N ATOM 1615 CA THR A 121 1.549 -4.583 5.646 1.00 21.13 C ATOM 1616 C THR A 121 2.847 -4.332 4.910 1.00 52.33 C ATOM 1617 O THR A 121 3.507 -5.276 4.484 1.00 11.34 O ATOM 1618 CB THR A 121 1.854 -5.035 7.087 1.00 54.43 C ATOM 1619 OG1 THR A 121 0.618 -5.342 7.751 1.00 4.32 O ATOM 1620 CG2 THR A 121 2.585 -3.952 7.864 1.00 65.24 C ATOM 0 H THR A 121 1.307 -6.478 4.855 1.00 50.23 H new ATOM 0 HA THR A 121 0.962 -3.665 5.674 1.00 21.13 H new ATOM 0 HB THR A 121 2.496 -5.915 7.045 1.00 54.43 H new ATOM 0 HG1 THR A 121 0.386 -4.613 8.364 1.00 4.32 H new ATOM 0 HG21 THR A 121 2.785 -4.303 8.876 1.00 65.24 H new ATOM 0 HG22 THR A 121 3.527 -3.721 7.367 1.00 65.24 H new ATOM 0 HG23 THR A 121 1.967 -3.055 7.906 1.00 65.24 H new ATOM 1628 N ILE A 122 3.200 -3.084 4.743 1.00 50.42 N ATOM 1629 CA ILE A 122 4.453 -2.745 4.131 1.00 24.23 C ATOM 1630 C ILE A 122 5.300 -2.008 5.123 1.00 31.24 C ATOM 1631 O ILE A 122 4.786 -1.217 5.933 1.00 31.24 O ATOM 1632 CB ILE A 122 4.309 -1.896 2.837 1.00 53.22 C ATOM 1633 CG1 ILE A 122 3.614 -0.572 3.099 1.00 62.24 C ATOM 1634 CG2 ILE A 122 3.562 -2.667 1.778 1.00 43.10 C ATOM 1635 CD1 ILE A 122 3.556 0.344 1.886 1.00 25.44 C ATOM 0 H ILE A 122 2.633 -2.284 5.024 1.00 50.42 H new ATOM 0 HA ILE A 122 4.921 -3.683 3.832 1.00 24.23 H new ATOM 0 HB ILE A 122 5.317 -1.679 2.482 1.00 53.22 H new ATOM 0 HG12 ILE A 122 2.598 -0.768 3.443 1.00 62.24 H new ATOM 0 HG13 ILE A 122 4.131 -0.055 3.908 1.00 62.24 H new ATOM 0 HG21 ILE A 122 3.471 -2.057 0.880 1.00 43.10 H new ATOM 0 HG22 ILE A 122 4.106 -3.581 1.542 1.00 43.10 H new ATOM 0 HG23 ILE A 122 2.568 -2.921 2.146 1.00 43.10 H new ATOM 0 HD11 ILE A 122 3.045 1.269 2.153 1.00 25.44 H new ATOM 0 HD12 ILE A 122 4.569 0.572 1.553 1.00 25.44 H new ATOM 0 HD13 ILE A 122 3.013 -0.152 1.081 1.00 25.44 H new ATOM 1647 N GLN A 123 6.568 -2.292 5.114 1.00 75.55 N ATOM 1648 CA GLN A 123 7.467 -1.645 6.008 1.00 31.05 C ATOM 1649 C GLN A 123 8.769 -1.344 5.287 1.00 62.21 C ATOM 1650 O GLN A 123 9.427 -2.247 4.759 1.00 51.33 O ATOM 1651 CB GLN A 123 7.687 -2.511 7.239 1.00 11.12 C ATOM 1652 CG GLN A 123 8.421 -1.812 8.351 1.00 14.20 C ATOM 1653 CD GLN A 123 8.493 -2.644 9.602 1.00 43.42 C ATOM 1654 OE1 GLN A 123 8.430 -1.983 10.729 1.00 3.01 O flip ATOM 1655 NE2 GLN A 123 8.551 -3.885 9.551 1.00 34.32 N flip ATOM 0 H GLN A 123 7.001 -2.973 4.491 1.00 75.55 H new ATOM 0 HA GLN A 123 7.043 -0.699 6.344 1.00 31.05 H new ATOM 0 HB2 GLN A 123 6.720 -2.849 7.611 1.00 11.12 H new ATOM 0 HB3 GLN A 123 8.246 -3.401 6.950 1.00 11.12 H new ATOM 0 HG2 GLN A 123 9.431 -1.570 8.020 1.00 14.20 H new ATOM 0 HG3 GLN A 123 7.924 -0.868 8.574 1.00 14.20 H new ATOM 0 HE21 GLN A 123 8.599 -4.357 8.648 1.00 34.32 H new ATOM 0 HE22 GLN A 123 8.551 -4.431 10.412 1.00 34.32 H new ATOM 1664 N VAL A 124 9.117 -0.087 5.245 1.00 3.24 N ATOM 1665 CA VAL A 124 10.296 0.371 4.539 1.00 64.21 C ATOM 1666 C VAL A 124 11.466 0.568 5.491 1.00 32.24 C ATOM 1667 O VAL A 124 11.446 1.447 6.336 1.00 4.44 O ATOM 1668 CB VAL A 124 10.005 1.689 3.778 1.00 44.33 C ATOM 1669 CG1 VAL A 124 11.253 2.221 3.103 1.00 35.35 C ATOM 1670 CG2 VAL A 124 8.910 1.469 2.752 1.00 43.32 C ATOM 0 H VAL A 124 8.591 0.658 5.701 1.00 3.24 H new ATOM 0 HA VAL A 124 10.566 -0.400 3.817 1.00 64.21 H new ATOM 0 HB VAL A 124 9.672 2.431 4.504 1.00 44.33 H new ATOM 0 HG11 VAL A 124 11.016 3.146 2.578 1.00 35.35 H new ATOM 0 HG12 VAL A 124 12.018 2.416 3.854 1.00 35.35 H new ATOM 0 HG13 VAL A 124 11.624 1.484 2.391 1.00 35.35 H new ATOM 0 HG21 VAL A 124 8.714 2.402 2.223 1.00 43.32 H new ATOM 0 HG22 VAL A 124 9.227 0.708 2.039 1.00 43.32 H new ATOM 0 HG23 VAL A 124 8.001 1.139 3.255 1.00 43.32 H new ATOM 1680 N THR A 125 12.465 -0.248 5.355 1.00 42.22 N ATOM 1681 CA THR A 125 13.618 -0.150 6.188 1.00 52.31 C ATOM 1682 C THR A 125 14.858 -0.388 5.288 1.00 32.02 C ATOM 1683 O THR A 125 14.729 -1.019 4.229 1.00 2.44 O ATOM 1684 CB THR A 125 13.531 -1.191 7.374 1.00 64.45 C ATOM 1685 OG1 THR A 125 14.448 -0.850 8.421 1.00 55.14 O ATOM 1686 CG2 THR A 125 13.852 -2.596 6.905 1.00 31.13 C ATOM 0 H THR A 125 12.502 -0.998 4.665 1.00 42.22 H new ATOM 0 HA THR A 125 13.690 0.834 6.651 1.00 52.31 H new ATOM 0 HB THR A 125 12.507 -1.157 7.746 1.00 64.45 H new ATOM 0 HG1 THR A 125 14.376 -1.506 9.145 1.00 55.14 H new ATOM 0 HG21 THR A 125 13.783 -3.285 7.747 1.00 31.13 H new ATOM 0 HG22 THR A 125 13.142 -2.893 6.133 1.00 31.13 H new ATOM 0 HG23 THR A 125 14.863 -2.622 6.498 1.00 31.13 H new ATOM 1694 N PRO A 126 16.029 0.152 5.649 1.00 52.35 N ATOM 1695 CA PRO A 126 17.286 -0.030 4.878 1.00 74.22 C ATOM 1696 C PRO A 126 17.738 -1.503 4.776 1.00 14.03 C ATOM 1697 O PRO A 126 17.328 -2.355 5.575 1.00 15.41 O ATOM 1698 CB PRO A 126 18.301 0.759 5.708 1.00 73.32 C ATOM 1699 CG PRO A 126 17.695 0.789 7.062 1.00 20.34 C ATOM 1700 CD PRO A 126 16.253 1.002 6.820 1.00 53.51 C ATOM 0 HA PRO A 126 17.172 0.298 3.845 1.00 74.22 H new ATOM 0 HB2 PRO A 126 19.277 0.273 5.716 1.00 73.32 H new ATOM 0 HB3 PRO A 126 18.448 1.764 5.312 1.00 73.32 H new ATOM 0 HG2 PRO A 126 17.874 -0.144 7.597 1.00 20.34 H new ATOM 0 HG3 PRO A 126 18.118 1.590 7.668 1.00 20.34 H new ATOM 0 HD2 PRO A 126 15.644 0.698 7.671 1.00 53.51 H new ATOM 0 HD3 PRO A 126 16.020 2.048 6.619 1.00 53.51 H new ATOM 1708 N LYS A 127 18.576 -1.780 3.793 1.00 23.32 N ATOM 1709 CA LYS A 127 19.123 -3.124 3.571 1.00 2.55 C ATOM 1710 C LYS A 127 20.601 -3.065 3.102 1.00 50.44 C ATOM 1711 O LYS A 127 21.440 -3.740 3.686 1.00 15.43 O ATOM 1712 CB LYS A 127 18.225 -3.918 2.606 1.00 32.43 C ATOM 1713 CG LYS A 127 18.653 -5.340 2.246 1.00 73.31 C ATOM 1714 CD LYS A 127 17.618 -5.961 1.291 1.00 34.33 C ATOM 1715 CE LYS A 127 17.986 -7.363 0.838 1.00 63.54 C ATOM 1716 NZ LYS A 127 16.962 -7.929 -0.093 1.00 62.34 N ATOM 0 H LYS A 127 18.902 -1.085 3.121 1.00 23.32 H new ATOM 0 HA LYS A 127 19.128 -3.658 4.521 1.00 2.55 H new ATOM 0 HB2 LYS A 127 17.227 -3.968 3.041 1.00 32.43 H new ATOM 0 HB3 LYS A 127 18.141 -3.348 1.680 1.00 32.43 H new ATOM 0 HG2 LYS A 127 19.636 -5.327 1.775 1.00 73.31 H new ATOM 0 HG3 LYS A 127 18.740 -5.945 3.149 1.00 73.31 H new ATOM 0 HD2 LYS A 127 16.648 -5.989 1.786 1.00 34.33 H new ATOM 0 HD3 LYS A 127 17.510 -5.320 0.416 1.00 34.33 H new ATOM 0 HE2 LYS A 127 18.957 -7.343 0.343 1.00 63.54 H new ATOM 0 HE3 LYS A 127 18.086 -8.012 1.708 1.00 63.54 H new ATOM 0 HZ1 LYS A 127 17.059 -8.964 -0.129 1.00 62.34 H new ATOM 0 HZ2 LYS A 127 16.010 -7.682 0.246 1.00 62.34 H new ATOM 0 HZ3 LYS A 127 17.103 -7.535 -1.045 1.00 62.34 H new ATOM 1772 N GLY A 132 19.238 3.465 0.541 1.00 65.04 N ATOM 1773 CA GLY A 132 18.699 2.293 -0.076 1.00 42.44 C ATOM 1774 C GLY A 132 17.761 1.583 0.858 1.00 73.04 C ATOM 1775 O GLY A 132 18.193 0.900 1.801 1.00 71.15 O ATOM 0 HA2 GLY A 132 18.172 2.567 -0.990 1.00 42.44 H new ATOM 0 HA3 GLY A 132 19.509 1.623 -0.364 1.00 42.44 H new ATOM 1779 N SER A 133 16.500 1.734 0.628 1.00 53.25 N ATOM 1780 CA SER A 133 15.544 1.131 1.481 1.00 44.23 C ATOM 1781 C SER A 133 14.786 0.041 0.757 1.00 50.34 C ATOM 1782 O SER A 133 14.697 0.028 -0.471 1.00 21.13 O ATOM 1783 CB SER A 133 14.627 2.185 2.101 1.00 5.53 C ATOM 1784 OG SER A 133 13.985 2.964 1.114 1.00 0.20 O ATOM 0 H SER A 133 16.111 2.272 -0.146 1.00 53.25 H new ATOM 0 HA SER A 133 16.065 0.648 2.308 1.00 44.23 H new ATOM 0 HB2 SER A 133 13.877 1.695 2.722 1.00 5.53 H new ATOM 0 HB3 SER A 133 15.209 2.834 2.755 1.00 5.53 H new ATOM 0 HG SER A 133 14.537 3.746 0.904 1.00 0.20 H new ATOM 1790 N ILE A 134 14.294 -0.888 1.504 1.00 5.54 N ATOM 1791 CA ILE A 134 13.566 -1.980 0.969 1.00 43.23 C ATOM 1792 C ILE A 134 12.192 -1.954 1.544 1.00 20.21 C ATOM 1793 O ILE A 134 12.018 -1.755 2.760 1.00 4.41 O ATOM 1794 CB ILE A 134 14.221 -3.298 1.381 1.00 71.24 C ATOM 1795 CG1 ILE A 134 15.627 -3.326 0.883 1.00 30.12 C ATOM 1796 CG2 ILE A 134 13.445 -4.516 0.871 1.00 51.15 C ATOM 1797 CD1 ILE A 134 15.798 -3.222 -0.604 1.00 34.14 C ATOM 0 H ILE A 134 14.390 -0.907 2.519 1.00 5.54 H new ATOM 0 HA ILE A 134 13.545 -1.902 -0.118 1.00 43.23 H new ATOM 0 HB ILE A 134 14.213 -3.354 2.470 1.00 71.24 H new ATOM 0 HG12 ILE A 134 16.174 -2.507 1.350 1.00 30.12 H new ATOM 0 HG13 ILE A 134 16.093 -4.253 1.219 1.00 30.12 H new ATOM 0 HG21 ILE A 134 13.950 -5.428 1.189 1.00 51.15 H new ATOM 0 HG22 ILE A 134 12.434 -4.500 1.278 1.00 51.15 H new ATOM 0 HG23 ILE A 134 13.398 -4.488 -0.218 1.00 51.15 H new ATOM 0 HD11 ILE A 134 16.859 -3.253 -0.851 1.00 34.14 H new ATOM 0 HD12 ILE A 134 15.288 -4.055 -1.088 1.00 34.14 H new ATOM 0 HD13 ILE A 134 15.371 -2.282 -0.955 1.00 34.14 H new ATOM 1809 N VAL A 135 11.239 -2.147 0.728 1.00 63.42 N ATOM 1810 CA VAL A 135 9.897 -2.215 1.181 1.00 74.13 C ATOM 1811 C VAL A 135 9.534 -3.670 1.404 1.00 50.51 C ATOM 1812 O VAL A 135 9.513 -4.487 0.474 1.00 21.11 O ATOM 1813 CB VAL A 135 8.874 -1.468 0.249 1.00 43.24 C ATOM 1814 CG1 VAL A 135 8.895 -1.979 -1.173 1.00 61.22 C ATOM 1815 CG2 VAL A 135 7.465 -1.529 0.823 1.00 10.22 C ATOM 0 H VAL A 135 11.357 -2.264 -0.278 1.00 63.42 H new ATOM 0 HA VAL A 135 9.827 -1.676 2.126 1.00 74.13 H new ATOM 0 HB VAL A 135 9.193 -0.426 0.214 1.00 43.24 H new ATOM 0 HG11 VAL A 135 8.169 -1.426 -1.769 1.00 61.22 H new ATOM 0 HG12 VAL A 135 9.891 -1.841 -1.595 1.00 61.22 H new ATOM 0 HG13 VAL A 135 8.641 -3.039 -1.183 1.00 61.22 H new ATOM 0 HG21 VAL A 135 6.778 -1.005 0.158 1.00 10.22 H new ATOM 0 HG22 VAL A 135 7.155 -2.570 0.917 1.00 10.22 H new ATOM 0 HG23 VAL A 135 7.451 -1.056 1.805 1.00 10.22 H new ATOM 1825 N HIS A 136 9.322 -4.002 2.639 1.00 31.10 N ATOM 1826 CA HIS A 136 8.986 -5.348 3.012 1.00 52.32 C ATOM 1827 C HIS A 136 7.508 -5.504 2.966 1.00 75.13 C ATOM 1828 O HIS A 136 6.789 -4.880 3.748 1.00 51.10 O ATOM 1829 CB HIS A 136 9.490 -5.684 4.430 1.00 33.12 C ATOM 1830 CG HIS A 136 10.982 -5.714 4.590 1.00 34.42 C ATOM 1831 ND1 HIS A 136 11.674 -6.854 4.927 1.00 13.13 N ATOM 1832 CD2 HIS A 136 11.914 -4.733 4.495 1.00 54.44 C ATOM 1833 CE1 HIS A 136 12.957 -6.577 5.029 1.00 63.40 C ATOM 1834 NE2 HIS A 136 13.127 -5.301 4.770 1.00 35.13 N ATOM 0 H HIS A 136 9.376 -3.349 3.421 1.00 31.10 H new ATOM 0 HA HIS A 136 9.468 -6.031 2.312 1.00 52.32 H new ATOM 0 HB2 HIS A 136 9.081 -4.952 5.126 1.00 33.12 H new ATOM 0 HB3 HIS A 136 9.090 -6.656 4.719 1.00 33.12 H new ATOM 0 HD2 HIS A 136 11.732 -3.697 4.248 1.00 54.44 H new ATOM 0 HE1 HIS A 136 13.737 -7.280 5.283 1.00 63.40 H new ATOM 0 HE2 HIS A 136 14.022 -4.811 4.773 1.00 35.13 H new ATOM 1843 N TRP A 137 7.045 -6.278 2.037 1.00 65.10 N ATOM 1844 CA TRP A 137 5.651 -6.543 1.935 1.00 61.55 C ATOM 1845 C TRP A 137 5.352 -7.785 2.681 1.00 10.24 C ATOM 1846 O TRP A 137 5.893 -8.846 2.379 1.00 1.20 O ATOM 1847 CB TRP A 137 5.236 -6.740 0.488 1.00 3.14 C ATOM 1848 CG TRP A 137 5.382 -5.543 -0.369 1.00 2.44 C ATOM 1849 CD1 TRP A 137 6.536 -4.973 -0.821 1.00 51.33 C ATOM 1850 CD2 TRP A 137 4.319 -4.778 -0.908 1.00 61.13 C ATOM 1851 NE1 TRP A 137 6.240 -3.898 -1.601 1.00 22.40 N ATOM 1852 CE2 TRP A 137 4.892 -3.752 -1.667 1.00 41.11 C ATOM 1853 CE3 TRP A 137 2.927 -4.860 -0.817 1.00 31.31 C ATOM 1854 CZ2 TRP A 137 4.142 -2.816 -2.327 1.00 13.23 C ATOM 1855 CZ3 TRP A 137 2.172 -3.925 -1.478 1.00 31.20 C ATOM 1856 CH2 TRP A 137 2.776 -2.914 -2.224 1.00 74.33 C ATOM 0 H TRP A 137 7.621 -6.740 1.333 1.00 65.10 H new ATOM 0 HA TRP A 137 5.104 -5.694 2.344 1.00 61.55 H new ATOM 0 HB2 TRP A 137 5.829 -7.549 0.062 1.00 3.14 H new ATOM 0 HB3 TRP A 137 4.195 -7.062 0.464 1.00 3.14 H new ATOM 0 HD1 TRP A 137 7.533 -5.322 -0.594 1.00 51.33 H new ATOM 0 HE1 TRP A 137 6.923 -3.297 -2.063 1.00 22.40 H new ATOM 0 HE3 TRP A 137 2.456 -5.642 -0.239 1.00 31.31 H new ATOM 0 HZ2 TRP A 137 4.606 -2.031 -2.906 1.00 13.23 H new ATOM 0 HZ3 TRP A 137 1.095 -3.973 -1.420 1.00 31.20 H new ATOM 0 HH2 TRP A 137 2.155 -2.191 -2.733 1.00 74.33 H new ATOM 1867 N HIS A 138 4.509 -7.676 3.628 1.00 22.52 N ATOM 1868 CA HIS A 138 4.105 -8.788 4.375 1.00 74.33 C ATOM 1869 C HIS A 138 2.618 -8.907 4.209 1.00 53.44 C ATOM 1870 O HIS A 138 1.865 -8.078 4.702 1.00 75.45 O ATOM 1871 CB HIS A 138 4.499 -8.559 5.841 1.00 73.14 C ATOM 1872 CG HIS A 138 4.167 -9.669 6.762 1.00 53.01 C ATOM 1873 ND1 HIS A 138 5.050 -10.671 7.081 1.00 40.23 N ATOM 1874 CD2 HIS A 138 3.053 -9.911 7.461 1.00 44.02 C ATOM 1875 CE1 HIS A 138 4.489 -11.486 7.938 1.00 40.30 C ATOM 1876 NE2 HIS A 138 3.269 -11.047 8.189 1.00 14.42 N ATOM 0 H HIS A 138 4.075 -6.797 3.909 1.00 22.52 H new ATOM 0 HA HIS A 138 4.580 -9.711 4.044 1.00 74.33 H new ATOM 0 HB2 HIS A 138 5.573 -8.377 5.888 1.00 73.14 H new ATOM 0 HB3 HIS A 138 4.007 -7.654 6.196 1.00 73.14 H new ATOM 0 HD1 HIS A 138 5.995 -10.765 6.709 1.00 40.23 H new ATOM 0 HD2 HIS A 138 2.150 -9.319 7.452 1.00 44.02 H new ATOM 0 HE1 HIS A 138 4.945 -12.366 8.366 1.00 40.30 H new ATOM 1885 N LEU A 139 2.207 -9.916 3.514 1.00 73.14 N ATOM 1886 CA LEU A 139 0.819 -10.135 3.235 1.00 73.03 C ATOM 1887 C LEU A 139 0.390 -11.393 3.919 1.00 52.11 C ATOM 1888 O LEU A 139 1.114 -12.399 3.889 1.00 54.33 O ATOM 1889 CB LEU A 139 0.542 -10.300 1.706 1.00 61.33 C ATOM 1890 CG LEU A 139 0.961 -9.165 0.734 1.00 0.14 C ATOM 1891 CD1 LEU A 139 2.467 -9.080 0.548 1.00 12.44 C ATOM 1892 CD2 LEU A 139 0.261 -9.313 -0.603 1.00 75.13 C ATOM 0 H LEU A 139 2.829 -10.621 3.118 1.00 73.14 H new ATOM 0 HA LEU A 139 0.267 -9.266 3.592 1.00 73.03 H new ATOM 0 HB2 LEU A 139 1.040 -11.213 1.379 1.00 61.33 H new ATOM 0 HB3 LEU A 139 -0.529 -10.460 1.582 1.00 61.33 H new ATOM 0 HG LEU A 139 0.646 -8.227 1.192 1.00 0.14 H new ATOM 0 HD11 LEU A 139 2.703 -8.269 -0.141 1.00 12.44 H new ATOM 0 HD12 LEU A 139 2.942 -8.888 1.510 1.00 12.44 H new ATOM 0 HD13 LEU A 139 2.837 -10.021 0.142 1.00 12.44 H new ATOM 0 HD21 LEU A 139 0.571 -8.506 -1.267 1.00 75.13 H new ATOM 0 HD22 LEU A 139 0.526 -10.272 -1.049 1.00 75.13 H new ATOM 0 HD23 LEU A 139 -0.818 -9.268 -0.456 1.00 75.13 H new ATOM 1904 N GLU A 140 -0.733 -11.355 4.538 1.00 63.43 N ATOM 1905 CA GLU A 140 -1.275 -12.517 5.144 1.00 43.22 C ATOM 1906 C GLU A 140 -2.766 -12.470 4.942 1.00 4.11 C ATOM 1907 O GLU A 140 -3.416 -11.457 5.210 1.00 12.05 O ATOM 1908 CB GLU A 140 -0.905 -12.612 6.607 1.00 34.23 C ATOM 1909 CG GLU A 140 -1.221 -13.959 7.213 1.00 54.14 C ATOM 1910 CD GLU A 140 -0.909 -14.015 8.674 1.00 65.23 C ATOM 1911 OE1 GLU A 140 0.243 -14.338 9.041 1.00 41.24 O ATOM 1912 OE2 GLU A 140 -1.808 -13.743 9.488 1.00 5.23 O ATOM 0 H GLU A 140 -1.304 -10.516 4.639 1.00 63.43 H new ATOM 0 HA GLU A 140 -0.861 -13.413 4.682 1.00 43.22 H new ATOM 0 HB2 GLU A 140 0.160 -12.411 6.720 1.00 34.23 H new ATOM 0 HB3 GLU A 140 -1.436 -11.838 7.161 1.00 34.23 H new ATOM 0 HG2 GLU A 140 -2.277 -14.184 7.061 1.00 54.14 H new ATOM 0 HG3 GLU A 140 -0.653 -14.730 6.693 1.00 54.14 H new ATOM 1919 N TYR A 141 -3.295 -13.530 4.461 1.00 51.43 N ATOM 1920 CA TYR A 141 -4.651 -13.565 4.030 1.00 44.13 C ATOM 1921 C TYR A 141 -5.216 -14.950 4.151 1.00 12.41 C ATOM 1922 O TYR A 141 -4.486 -15.904 4.334 1.00 62.54 O ATOM 1923 CB TYR A 141 -4.710 -13.072 2.578 1.00 73.12 C ATOM 1924 CG TYR A 141 -3.685 -13.738 1.678 1.00 50.02 C ATOM 1925 CD1 TYR A 141 -3.867 -15.022 1.224 1.00 23.10 C ATOM 1926 CD2 TYR A 141 -2.516 -13.074 1.313 1.00 10.33 C ATOM 1927 CE1 TYR A 141 -2.937 -15.632 0.435 1.00 22.33 C ATOM 1928 CE2 TYR A 141 -1.572 -13.683 0.523 1.00 4.43 C ATOM 1929 CZ TYR A 141 -1.791 -14.969 0.085 1.00 41.21 C ATOM 1930 OH TYR A 141 -0.864 -15.597 -0.712 1.00 21.31 O ATOM 0 H TYR A 141 -2.797 -14.413 4.351 1.00 51.43 H new ATOM 0 HA TYR A 141 -5.256 -12.916 4.663 1.00 44.13 H new ATOM 0 HB2 TYR A 141 -5.708 -13.255 2.179 1.00 73.12 H new ATOM 0 HB3 TYR A 141 -4.553 -11.994 2.561 1.00 73.12 H new ATOM 0 HD1 TYR A 141 -4.764 -15.558 1.497 1.00 23.10 H new ATOM 0 HD2 TYR A 141 -2.349 -12.064 1.657 1.00 10.33 H new ATOM 0 HE1 TYR A 141 -3.105 -16.640 0.085 1.00 22.33 H new ATOM 0 HE2 TYR A 141 -0.668 -13.159 0.249 1.00 4.43 H new ATOM 0 HH TYR A 141 -0.391 -14.930 -1.251 1.00 21.31 H new ATOM 1940 N GLU A 142 -6.492 -15.063 4.060 1.00 65.42 N ATOM 1941 CA GLU A 142 -7.109 -16.348 4.124 1.00 53.42 C ATOM 1942 C GLU A 142 -7.716 -16.672 2.781 1.00 61.24 C ATOM 1943 O GLU A 142 -8.596 -15.958 2.304 1.00 55.31 O ATOM 1944 CB GLU A 142 -8.144 -16.392 5.246 1.00 32.04 C ATOM 1945 CG GLU A 142 -8.809 -17.742 5.433 1.00 31.33 C ATOM 1946 CD GLU A 142 -9.722 -17.754 6.625 1.00 53.33 C ATOM 1947 OE1 GLU A 142 -10.906 -17.407 6.488 1.00 44.55 O ATOM 1948 OE2 GLU A 142 -9.260 -18.101 7.731 1.00 2.01 O ATOM 0 H GLU A 142 -7.136 -14.281 3.940 1.00 65.42 H new ATOM 0 HA GLU A 142 -6.361 -17.107 4.355 1.00 53.42 H new ATOM 0 HB2 GLU A 142 -7.661 -16.106 6.180 1.00 32.04 H new ATOM 0 HB3 GLU A 142 -8.913 -15.647 5.044 1.00 32.04 H new ATOM 0 HG2 GLU A 142 -9.377 -17.994 4.538 1.00 31.33 H new ATOM 0 HG3 GLU A 142 -8.045 -18.510 5.553 1.00 31.33 H new ATOM 1955 N LYS A 143 -7.225 -17.717 2.159 1.00 44.43 N ATOM 1956 CA LYS A 143 -7.703 -18.126 0.867 1.00 33.31 C ATOM 1957 C LYS A 143 -9.060 -18.756 1.030 1.00 23.33 C ATOM 1958 O LYS A 143 -9.242 -19.584 1.920 1.00 52.03 O ATOM 1959 CB LYS A 143 -6.734 -19.139 0.260 1.00 44.41 C ATOM 1960 CG LYS A 143 -5.351 -18.569 0.097 1.00 55.23 C ATOM 1961 CD LYS A 143 -4.387 -19.537 -0.545 1.00 25.42 C ATOM 1962 CE LYS A 143 -3.057 -18.857 -0.702 1.00 13.44 C ATOM 1963 NZ LYS A 143 -2.031 -19.715 -1.333 1.00 40.22 N ATOM 0 H LYS A 143 -6.483 -18.306 2.537 1.00 44.43 H new ATOM 0 HA LYS A 143 -7.774 -17.262 0.206 1.00 33.31 H new ATOM 0 HB2 LYS A 143 -6.689 -20.023 0.896 1.00 44.41 H new ATOM 0 HB3 LYS A 143 -7.109 -19.463 -0.711 1.00 44.41 H new ATOM 0 HG2 LYS A 143 -5.406 -17.664 -0.508 1.00 55.23 H new ATOM 0 HG3 LYS A 143 -4.967 -18.276 1.074 1.00 55.23 H new ATOM 0 HD2 LYS A 143 -4.284 -20.432 0.069 1.00 25.42 H new ATOM 0 HD3 LYS A 143 -4.764 -19.859 -1.516 1.00 25.42 H new ATOM 0 HE2 LYS A 143 -3.186 -17.956 -1.302 1.00 13.44 H new ATOM 0 HE3 LYS A 143 -2.702 -18.539 0.278 1.00 13.44 H new ATOM 0 HZ1 LYS A 143 -1.138 -19.188 -1.412 1.00 40.22 H new ATOM 0 HZ2 LYS A 143 -1.881 -20.563 -0.750 1.00 40.22 H new ATOM 0 HZ3 LYS A 143 -2.351 -19.999 -2.281 1.00 40.22 H new ATOM 1977 N ILE A 144 -10.030 -18.366 0.209 1.00 60.13 N ATOM 1978 CA ILE A 144 -11.349 -18.972 0.336 1.00 50.33 C ATOM 1979 C ILE A 144 -11.238 -20.403 -0.110 1.00 42.15 C ATOM 1980 O ILE A 144 -11.840 -21.317 0.461 1.00 41.54 O ATOM 1981 CB ILE A 144 -12.440 -18.268 -0.507 1.00 4.33 C ATOM 1982 CG1 ILE A 144 -12.369 -16.757 -0.309 1.00 5.25 C ATOM 1983 CG2 ILE A 144 -13.811 -18.783 -0.075 1.00 55.32 C ATOM 1984 CD1 ILE A 144 -13.520 -15.999 -0.891 1.00 53.20 C ATOM 0 H ILE A 144 -9.936 -17.662 -0.523 1.00 60.13 H new ATOM 0 HA ILE A 144 -11.657 -18.881 1.378 1.00 50.33 H new ATOM 0 HB ILE A 144 -12.278 -18.487 -1.563 1.00 4.33 H new ATOM 0 HG12 ILE A 144 -12.314 -16.546 0.759 1.00 5.25 H new ATOM 0 HG13 ILE A 144 -11.445 -16.388 -0.755 1.00 5.25 H new ATOM 0 HG21 ILE A 144 -14.586 -18.292 -0.664 1.00 55.32 H new ATOM 0 HG22 ILE A 144 -13.862 -19.860 -0.234 1.00 55.32 H new ATOM 0 HG23 ILE A 144 -13.965 -18.565 0.982 1.00 55.32 H new ATOM 0 HD11 ILE A 144 -13.386 -14.934 -0.703 1.00 53.20 H new ATOM 0 HD12 ILE A 144 -13.566 -16.175 -1.966 1.00 53.20 H new ATOM 0 HD13 ILE A 144 -14.448 -16.335 -0.429 1.00 53.20 H new ATOM 1996 N SER A 145 -10.455 -20.572 -1.123 1.00 4.01 N ATOM 1997 CA SER A 145 -10.110 -21.825 -1.637 1.00 42.32 C ATOM 1998 C SER A 145 -8.804 -21.630 -2.410 1.00 42.34 C ATOM 1999 O SER A 145 -8.444 -20.492 -2.748 1.00 23.24 O ATOM 2000 CB SER A 145 -11.252 -22.395 -2.496 1.00 14.44 C ATOM 2001 OG SER A 145 -10.999 -23.742 -2.904 1.00 75.20 O ATOM 0 H SER A 145 -10.027 -19.795 -1.627 1.00 4.01 H new ATOM 0 HA SER A 145 -9.957 -22.564 -0.850 1.00 42.32 H new ATOM 0 HB2 SER A 145 -12.183 -22.357 -1.931 1.00 14.44 H new ATOM 0 HB3 SER A 145 -11.388 -21.769 -3.378 1.00 14.44 H new ATOM 0 HG SER A 145 -10.356 -24.154 -2.290 1.00 75.20 H new ATOM 2007 N GLU A 146 -8.129 -22.712 -2.655 1.00 34.12 N ATOM 2008 CA GLU A 146 -6.784 -22.767 -3.216 1.00 52.42 C ATOM 2009 C GLU A 146 -6.638 -21.959 -4.508 1.00 41.41 C ATOM 2010 O GLU A 146 -5.975 -20.926 -4.536 1.00 12.04 O ATOM 2011 CB GLU A 146 -6.383 -24.222 -3.512 1.00 53.02 C ATOM 2012 CG GLU A 146 -6.678 -25.245 -2.406 1.00 33.22 C ATOM 2013 CD GLU A 146 -8.149 -25.648 -2.339 1.00 14.04 C ATOM 2014 OE1 GLU A 146 -8.941 -24.984 -1.630 1.00 5.41 O ATOM 2015 OE2 GLU A 146 -8.523 -26.626 -3.002 1.00 14.20 O ATOM 0 H GLU A 146 -8.510 -23.639 -2.464 1.00 34.12 H new ATOM 0 HA GLU A 146 -6.130 -22.327 -2.463 1.00 52.42 H new ATOM 0 HB2 GLU A 146 -6.896 -24.541 -4.419 1.00 53.02 H new ATOM 0 HB3 GLU A 146 -5.314 -24.246 -3.725 1.00 53.02 H new ATOM 0 HG2 GLU A 146 -6.071 -26.135 -2.571 1.00 33.22 H new ATOM 0 HG3 GLU A 146 -6.378 -24.828 -1.445 1.00 33.22 H new ATOM 2022 N GLU A 147 -7.280 -22.437 -5.553 1.00 12.55 N ATOM 2023 CA GLU A 147 -7.190 -21.869 -6.889 1.00 73.21 C ATOM 2024 C GLU A 147 -8.003 -20.610 -7.023 1.00 40.24 C ATOM 2025 O GLU A 147 -7.839 -19.837 -7.971 1.00 22.55 O ATOM 2026 CB GLU A 147 -7.544 -22.889 -7.951 1.00 72.25 C ATOM 2027 CG GLU A 147 -6.615 -24.082 -7.948 1.00 11.50 C ATOM 2028 CD GLU A 147 -6.916 -25.067 -9.035 1.00 32.51 C ATOM 2029 OE1 GLU A 147 -6.426 -24.886 -10.158 1.00 73.54 O ATOM 2030 OE2 GLU A 147 -7.631 -26.041 -8.779 1.00 54.20 O ATOM 0 H GLU A 147 -7.894 -23.250 -5.500 1.00 12.55 H new ATOM 0 HA GLU A 147 -6.150 -21.586 -7.049 1.00 73.21 H new ATOM 0 HB2 GLU A 147 -8.567 -23.230 -7.794 1.00 72.25 H new ATOM 0 HB3 GLU A 147 -7.514 -22.413 -8.931 1.00 72.25 H new ATOM 0 HG2 GLU A 147 -5.588 -23.734 -8.056 1.00 11.50 H new ATOM 0 HG3 GLU A 147 -6.682 -24.584 -6.983 1.00 11.50 H new ATOM 2037 N VAL A 148 -8.899 -20.418 -6.092 1.00 22.53 N ATOM 2038 CA VAL A 148 -9.738 -19.240 -6.085 1.00 2.54 C ATOM 2039 C VAL A 148 -8.899 -18.046 -5.611 1.00 15.04 C ATOM 2040 O VAL A 148 -9.178 -16.897 -5.951 1.00 61.32 O ATOM 2041 CB VAL A 148 -10.971 -19.436 -5.155 1.00 3.24 C ATOM 2042 CG1 VAL A 148 -11.886 -18.216 -5.165 1.00 42.22 C ATOM 2043 CG2 VAL A 148 -11.744 -20.674 -5.567 1.00 54.23 C ATOM 0 H VAL A 148 -9.070 -21.064 -5.322 1.00 22.53 H new ATOM 0 HA VAL A 148 -10.112 -19.059 -7.093 1.00 2.54 H new ATOM 0 HB VAL A 148 -10.602 -19.563 -4.137 1.00 3.24 H new ATOM 0 HG11 VAL A 148 -12.735 -18.392 -4.504 1.00 42.22 H new ATOM 0 HG12 VAL A 148 -11.332 -17.343 -4.820 1.00 42.22 H new ATOM 0 HG13 VAL A 148 -12.246 -18.040 -6.179 1.00 42.22 H new ATOM 0 HG21 VAL A 148 -12.604 -20.801 -4.910 1.00 54.23 H new ATOM 0 HG22 VAL A 148 -12.087 -20.563 -6.596 1.00 54.23 H new ATOM 0 HG23 VAL A 148 -11.097 -21.548 -5.492 1.00 54.23 H new ATOM 2053 N ALA A 149 -7.852 -18.336 -4.875 1.00 41.13 N ATOM 2054 CA ALA A 149 -6.918 -17.329 -4.439 1.00 14.32 C ATOM 2055 C ALA A 149 -5.793 -17.244 -5.451 1.00 14.43 C ATOM 2056 O ALA A 149 -5.411 -18.263 -6.044 1.00 1.23 O ATOM 2057 CB ALA A 149 -6.362 -17.697 -3.099 1.00 12.13 C ATOM 0 H ALA A 149 -7.625 -19.280 -4.562 1.00 41.13 H new ATOM 0 HA ALA A 149 -7.422 -16.366 -4.358 1.00 14.32 H new ATOM 0 HB1 ALA A 149 -5.657 -16.932 -2.775 1.00 12.13 H new ATOM 0 HB2 ALA A 149 -7.174 -17.771 -2.376 1.00 12.13 H new ATOM 0 HB3 ALA A 149 -5.850 -18.657 -3.169 1.00 12.13 H new ATOM 2063 N HIS A 150 -5.261 -16.063 -5.668 1.00 74.41 N ATOM 2064 CA HIS A 150 -4.209 -15.899 -6.656 1.00 32.30 C ATOM 2065 C HIS A 150 -3.016 -15.110 -6.132 1.00 64.04 C ATOM 2066 O HIS A 150 -2.955 -13.877 -6.250 1.00 1.11 O ATOM 2067 CB HIS A 150 -4.737 -15.334 -7.991 1.00 70.44 C ATOM 2068 CG HIS A 150 -5.640 -16.290 -8.704 1.00 31.30 C ATOM 2069 ND1 HIS A 150 -5.196 -17.179 -9.644 1.00 20.15 N ATOM 2070 CD2 HIS A 150 -6.961 -16.519 -8.577 1.00 63.32 C ATOM 2071 CE1 HIS A 150 -6.198 -17.915 -10.061 1.00 72.13 C ATOM 2072 NE2 HIS A 150 -7.285 -17.541 -9.430 1.00 1.34 N ATOM 0 H HIS A 150 -5.532 -15.208 -5.182 1.00 74.41 H new ATOM 0 HA HIS A 150 -3.840 -16.904 -6.863 1.00 32.30 H new ATOM 0 HB2 HIS A 150 -5.275 -14.405 -7.801 1.00 70.44 H new ATOM 0 HB3 HIS A 150 -3.893 -15.087 -8.636 1.00 70.44 H new ATOM 0 HD2 HIS A 150 -7.641 -15.993 -7.923 1.00 63.32 H new ATOM 0 HE1 HIS A 150 -6.138 -18.699 -10.801 1.00 72.13 H new ATOM 0 HE2 HIS A 150 -8.214 -17.943 -9.553 1.00 1.34 H new ATOM 2081 N PRO A 151 -2.051 -15.819 -5.517 1.00 62.21 N ATOM 2082 CA PRO A 151 -0.845 -15.213 -4.948 1.00 22.24 C ATOM 2083 C PRO A 151 0.004 -14.474 -5.984 1.00 73.32 C ATOM 2084 O PRO A 151 0.599 -13.448 -5.675 1.00 11.11 O ATOM 2085 CB PRO A 151 -0.061 -16.407 -4.383 1.00 45.25 C ATOM 2086 CG PRO A 151 -1.073 -17.486 -4.225 1.00 54.11 C ATOM 2087 CD PRO A 151 -2.073 -17.276 -5.317 1.00 61.12 C ATOM 0 HA PRO A 151 -1.103 -14.459 -4.205 1.00 22.24 H new ATOM 0 HB2 PRO A 151 0.739 -16.711 -5.059 1.00 45.25 H new ATOM 0 HB3 PRO A 151 0.405 -16.159 -3.429 1.00 45.25 H new ATOM 0 HG2 PRO A 151 -0.610 -18.470 -4.304 1.00 54.11 H new ATOM 0 HG3 PRO A 151 -1.548 -17.435 -3.245 1.00 54.11 H new ATOM 0 HD2 PRO A 151 -1.796 -17.811 -6.225 1.00 61.12 H new ATOM 0 HD3 PRO A 151 -3.064 -17.628 -5.029 1.00 61.12 H new ATOM 2095 N GLU A 152 0.015 -14.964 -7.224 1.00 5.30 N ATOM 2096 CA GLU A 152 0.859 -14.379 -8.264 1.00 45.41 C ATOM 2097 C GLU A 152 0.448 -12.971 -8.614 1.00 74.13 C ATOM 2098 O GLU A 152 1.290 -12.097 -8.847 1.00 40.34 O ATOM 2099 CB GLU A 152 0.956 -15.234 -9.543 1.00 51.22 C ATOM 2100 CG GLU A 152 -0.350 -15.650 -10.219 1.00 31.24 C ATOM 2101 CD GLU A 152 -1.125 -16.697 -9.470 1.00 12.24 C ATOM 2102 OE1 GLU A 152 -1.927 -16.344 -8.642 1.00 63.14 O ATOM 2103 OE2 GLU A 152 -0.929 -17.897 -9.736 1.00 52.22 O ATOM 0 H GLU A 152 -0.547 -15.758 -7.530 1.00 5.30 H new ATOM 0 HA GLU A 152 1.855 -14.352 -7.821 1.00 45.41 H new ATOM 0 HB2 GLU A 152 1.550 -14.682 -10.271 1.00 51.22 H new ATOM 0 HB3 GLU A 152 1.511 -16.140 -9.300 1.00 51.22 H new ATOM 0 HG2 GLU A 152 -0.979 -14.768 -10.343 1.00 31.24 H new ATOM 0 HG3 GLU A 152 -0.126 -16.025 -11.218 1.00 31.24 H new ATOM 2110 N THR A 153 -0.832 -12.746 -8.622 1.00 2.00 N ATOM 2111 CA THR A 153 -1.384 -11.465 -8.956 1.00 51.21 C ATOM 2112 C THR A 153 -1.022 -10.419 -7.901 1.00 5.21 C ATOM 2113 O THR A 153 -0.872 -9.225 -8.201 1.00 62.31 O ATOM 2114 CB THR A 153 -2.906 -11.561 -9.202 1.00 13.52 C ATOM 2115 OG1 THR A 153 -3.592 -12.029 -8.024 1.00 63.11 O ATOM 2116 CG2 THR A 153 -3.158 -12.536 -10.349 1.00 61.31 C ATOM 0 H THR A 153 -1.531 -13.454 -8.395 1.00 2.00 H new ATOM 0 HA THR A 153 -0.938 -11.132 -9.893 1.00 51.21 H new ATOM 0 HB THR A 153 -3.285 -10.569 -9.450 1.00 13.52 H new ATOM 0 HG1 THR A 153 -2.977 -12.562 -7.478 1.00 63.11 H new ATOM 0 HG21 THR A 153 -4.230 -12.613 -10.533 1.00 61.31 H new ATOM 0 HG22 THR A 153 -2.661 -12.175 -11.249 1.00 61.31 H new ATOM 0 HG23 THR A 153 -2.764 -13.518 -10.085 1.00 61.31 H new ATOM 2124 N LEU A 154 -0.836 -10.891 -6.674 1.00 24.54 N ATOM 2125 CA LEU A 154 -0.501 -10.033 -5.549 1.00 60.44 C ATOM 2126 C LEU A 154 0.881 -9.413 -5.751 1.00 45.31 C ATOM 2127 O LEU A 154 1.107 -8.259 -5.384 1.00 4.45 O ATOM 2128 CB LEU A 154 -0.540 -10.824 -4.244 1.00 30.42 C ATOM 2129 CG LEU A 154 -1.866 -11.516 -3.908 1.00 20.32 C ATOM 2130 CD1 LEU A 154 -1.719 -12.309 -2.633 1.00 20.45 C ATOM 2131 CD2 LEU A 154 -3.000 -10.504 -3.768 1.00 13.21 C ATOM 0 H LEU A 154 -0.914 -11.879 -6.433 1.00 24.54 H new ATOM 0 HA LEU A 154 -1.239 -9.233 -5.491 1.00 60.44 H new ATOM 0 HB2 LEU A 154 0.242 -11.582 -4.280 1.00 30.42 H new ATOM 0 HB3 LEU A 154 -0.290 -10.148 -3.426 1.00 30.42 H new ATOM 0 HG LEU A 154 -2.117 -12.189 -4.728 1.00 20.32 H new ATOM 0 HD11 LEU A 154 -2.664 -12.799 -2.398 1.00 20.45 H new ATOM 0 HD12 LEU A 154 -0.942 -13.062 -2.761 1.00 20.45 H new ATOM 0 HD13 LEU A 154 -1.445 -11.639 -1.818 1.00 20.45 H new ATOM 0 HD21 LEU A 154 -3.927 -11.026 -3.530 1.00 13.21 H new ATOM 0 HD22 LEU A 154 -2.764 -9.801 -2.969 1.00 13.21 H new ATOM 0 HD23 LEU A 154 -3.121 -9.961 -4.705 1.00 13.21 H new ATOM 2143 N LEU A 155 1.803 -10.183 -6.360 1.00 41.44 N ATOM 2144 CA LEU A 155 3.148 -9.671 -6.688 1.00 31.35 C ATOM 2145 C LEU A 155 3.033 -8.510 -7.611 1.00 40.30 C ATOM 2146 O LEU A 155 3.678 -7.498 -7.433 1.00 5.24 O ATOM 2147 CB LEU A 155 4.033 -10.725 -7.375 1.00 33.02 C ATOM 2148 CG LEU A 155 4.624 -11.847 -6.534 1.00 42.10 C ATOM 2149 CD1 LEU A 155 5.551 -11.311 -5.458 1.00 23.22 C ATOM 2150 CD2 LEU A 155 3.568 -12.731 -5.942 1.00 3.33 C ATOM 0 H LEU A 155 1.644 -11.153 -6.633 1.00 41.44 H new ATOM 0 HA LEU A 155 3.611 -9.389 -5.742 1.00 31.35 H new ATOM 0 HB2 LEU A 155 3.444 -11.183 -8.170 1.00 33.02 H new ATOM 0 HB3 LEU A 155 4.860 -10.200 -7.853 1.00 33.02 H new ATOM 0 HG LEU A 155 5.216 -12.462 -7.211 1.00 42.10 H new ATOM 0 HD11 LEU A 155 5.954 -12.141 -4.878 1.00 23.22 H new ATOM 0 HD12 LEU A 155 6.370 -10.763 -5.923 1.00 23.22 H new ATOM 0 HD13 LEU A 155 4.996 -10.644 -4.799 1.00 23.22 H new ATOM 0 HD21 LEU A 155 4.040 -13.516 -5.351 1.00 3.33 H new ATOM 0 HD22 LEU A 155 2.914 -12.138 -5.302 1.00 3.33 H new ATOM 0 HD23 LEU A 155 2.981 -13.182 -6.742 1.00 3.33 H new ATOM 2162 N GLN A 156 2.205 -8.665 -8.595 1.00 24.34 N ATOM 2163 CA GLN A 156 1.991 -7.618 -9.562 1.00 44.34 C ATOM 2164 C GLN A 156 1.409 -6.355 -8.941 1.00 42.44 C ATOM 2165 O GLN A 156 1.840 -5.254 -9.282 1.00 43.31 O ATOM 2166 CB GLN A 156 1.206 -8.101 -10.754 1.00 52.41 C ATOM 2167 CG GLN A 156 1.906 -9.232 -11.466 1.00 31.12 C ATOM 2168 CD GLN A 156 1.318 -9.527 -12.803 1.00 64.51 C ATOM 2169 OE1 GLN A 156 0.408 -10.354 -12.944 1.00 54.21 O ATOM 2170 NE2 GLN A 156 1.837 -8.855 -13.797 1.00 42.24 N ATOM 0 H GLN A 156 1.659 -9.511 -8.757 1.00 24.34 H new ATOM 0 HA GLN A 156 2.974 -7.334 -9.937 1.00 44.34 H new ATOM 0 HB2 GLN A 156 0.219 -8.431 -10.430 1.00 52.41 H new ATOM 0 HB3 GLN A 156 1.053 -7.274 -11.448 1.00 52.41 H new ATOM 0 HG2 GLN A 156 2.960 -8.982 -11.585 1.00 31.12 H new ATOM 0 HG3 GLN A 156 1.859 -10.129 -10.848 1.00 31.12 H new ATOM 0 HE21 GLN A 156 2.586 -8.185 -13.624 1.00 42.24 H new ATOM 0 HE22 GLN A 156 1.493 -9.001 -14.746 1.00 42.24 H new ATOM 2179 N PHE A 157 0.453 -6.510 -8.018 1.00 54.51 N ATOM 2180 CA PHE A 157 -0.084 -5.359 -7.271 1.00 1.02 C ATOM 2181 C PHE A 157 1.050 -4.701 -6.484 1.00 54.30 C ATOM 2182 O PHE A 157 1.199 -3.471 -6.473 1.00 21.40 O ATOM 2183 CB PHE A 157 -1.226 -5.800 -6.325 1.00 45.14 C ATOM 2184 CG PHE A 157 -1.770 -4.688 -5.451 1.00 43.54 C ATOM 2185 CD1 PHE A 157 -2.376 -3.584 -6.018 1.00 23.43 C ATOM 2186 CD2 PHE A 157 -1.675 -4.756 -4.058 1.00 3.41 C ATOM 2187 CE1 PHE A 157 -2.875 -2.569 -5.232 1.00 54.34 C ATOM 2188 CE2 PHE A 157 -2.180 -3.729 -3.260 1.00 5.23 C ATOM 2189 CZ PHE A 157 -2.777 -2.641 -3.854 1.00 60.05 C ATOM 0 H PHE A 157 0.037 -7.408 -7.770 1.00 54.51 H new ATOM 0 HA PHE A 157 -0.501 -4.638 -7.973 1.00 1.02 H new ATOM 0 HB2 PHE A 157 -2.041 -6.209 -6.923 1.00 45.14 H new ATOM 0 HB3 PHE A 157 -0.863 -6.605 -5.686 1.00 45.14 H new ATOM 0 HD1 PHE A 157 -2.460 -3.516 -7.093 1.00 23.43 H new ATOM 0 HD2 PHE A 157 -1.206 -5.612 -3.595 1.00 3.41 H new ATOM 0 HE1 PHE A 157 -3.345 -1.713 -5.694 1.00 54.34 H new ATOM 0 HE2 PHE A 157 -2.103 -3.788 -2.184 1.00 5.23 H new ATOM 0 HZ PHE A 157 -3.170 -1.842 -3.243 1.00 60.05 H new ATOM 2199 N CYS A 158 1.845 -5.544 -5.858 1.00 13.30 N ATOM 2200 CA CYS A 158 3.026 -5.151 -5.123 1.00 23.41 C ATOM 2201 C CYS A 158 3.967 -4.300 -5.986 1.00 61.13 C ATOM 2202 O CYS A 158 4.412 -3.226 -5.560 1.00 21.53 O ATOM 2203 CB CYS A 158 3.728 -6.421 -4.617 1.00 24.25 C ATOM 2204 SG CYS A 158 5.364 -6.197 -3.924 1.00 41.14 S ATOM 0 H CYS A 158 1.681 -6.551 -5.847 1.00 13.30 H new ATOM 0 HA CYS A 158 2.737 -4.530 -4.275 1.00 23.41 H new ATOM 0 HB2 CYS A 158 3.095 -6.883 -3.859 1.00 24.25 H new ATOM 0 HB3 CYS A 158 3.800 -7.126 -5.445 1.00 24.25 H new ATOM 0 HG CYS A 158 5.274 -5.549 -2.801 1.00 41.14 H new ATOM 2210 N VAL A 159 4.244 -4.768 -7.192 1.00 72.21 N ATOM 2211 CA VAL A 159 5.114 -4.062 -8.121 1.00 5.42 C ATOM 2212 C VAL A 159 4.575 -2.665 -8.432 1.00 33.40 C ATOM 2213 O VAL A 159 5.316 -1.675 -8.344 1.00 64.24 O ATOM 2214 CB VAL A 159 5.282 -4.833 -9.461 1.00 50.35 C ATOM 2215 CG1 VAL A 159 6.176 -4.061 -10.415 1.00 74.42 C ATOM 2216 CG2 VAL A 159 5.847 -6.221 -9.232 1.00 62.32 C ATOM 0 H VAL A 159 3.873 -5.646 -7.555 1.00 72.21 H new ATOM 0 HA VAL A 159 6.084 -3.984 -7.630 1.00 5.42 H new ATOM 0 HB VAL A 159 4.293 -4.936 -9.907 1.00 50.35 H new ATOM 0 HG11 VAL A 159 6.281 -4.618 -11.346 1.00 74.42 H new ATOM 0 HG12 VAL A 159 5.732 -3.087 -10.622 1.00 74.42 H new ATOM 0 HG13 VAL A 159 7.158 -3.923 -9.962 1.00 74.42 H new ATOM 0 HG21 VAL A 159 5.952 -6.733 -10.188 1.00 62.32 H new ATOM 0 HG22 VAL A 159 6.823 -6.142 -8.753 1.00 62.32 H new ATOM 0 HG23 VAL A 159 5.173 -6.787 -8.589 1.00 62.32 H new ATOM 2226 N GLU A 160 3.279 -2.589 -8.757 1.00 61.12 N ATOM 2227 CA GLU A 160 2.652 -1.328 -9.169 1.00 41.20 C ATOM 2228 C GLU A 160 2.798 -0.269 -8.103 1.00 43.34 C ATOM 2229 O GLU A 160 3.121 0.896 -8.396 1.00 24.11 O ATOM 2230 CB GLU A 160 1.174 -1.513 -9.502 1.00 31.40 C ATOM 2231 CG GLU A 160 0.890 -2.562 -10.560 1.00 74.13 C ATOM 2232 CD GLU A 160 1.707 -2.384 -11.817 1.00 11.22 C ATOM 2233 OE1 GLU A 160 1.814 -1.276 -12.323 1.00 21.01 O ATOM 2234 OE2 GLU A 160 2.226 -3.390 -12.335 1.00 75.44 O ATOM 0 H GLU A 160 2.644 -3.387 -8.743 1.00 61.12 H new ATOM 0 HA GLU A 160 3.172 -1.001 -10.069 1.00 41.20 H new ATOM 0 HB2 GLU A 160 0.641 -1.782 -8.590 1.00 31.40 H new ATOM 0 HB3 GLU A 160 0.769 -0.558 -9.838 1.00 31.40 H new ATOM 0 HG2 GLU A 160 1.088 -3.550 -10.144 1.00 74.13 H new ATOM 0 HG3 GLU A 160 -0.169 -2.531 -10.817 1.00 74.13 H new ATOM 2241 N VAL A 161 2.579 -0.667 -6.878 1.00 10.22 N ATOM 2242 CA VAL A 161 2.698 0.229 -5.762 1.00 30.11 C ATOM 2243 C VAL A 161 4.159 0.610 -5.537 1.00 22.55 C ATOM 2244 O VAL A 161 4.480 1.795 -5.421 1.00 54.31 O ATOM 2245 CB VAL A 161 2.116 -0.399 -4.474 1.00 44.40 C ATOM 2246 CG1 VAL A 161 2.275 0.536 -3.273 1.00 65.52 C ATOM 2247 CG2 VAL A 161 0.652 -0.767 -4.667 1.00 15.33 C ATOM 0 H VAL A 161 2.314 -1.619 -6.627 1.00 10.22 H new ATOM 0 HA VAL A 161 2.125 1.127 -5.996 1.00 30.11 H new ATOM 0 HB VAL A 161 2.681 -1.308 -4.269 1.00 44.40 H new ATOM 0 HG11 VAL A 161 1.855 0.063 -2.385 1.00 65.52 H new ATOM 0 HG12 VAL A 161 3.333 0.741 -3.109 1.00 65.52 H new ATOM 0 HG13 VAL A 161 1.750 1.471 -3.468 1.00 65.52 H new ATOM 0 HG21 VAL A 161 0.263 -1.207 -3.749 1.00 15.33 H new ATOM 0 HG22 VAL A 161 0.081 0.129 -4.910 1.00 15.33 H new ATOM 0 HG23 VAL A 161 0.562 -1.487 -5.481 1.00 15.33 H new ATOM 2257 N SER A 162 5.040 -0.388 -5.548 1.00 0.51 N ATOM 2258 CA SER A 162 6.446 -0.188 -5.238 1.00 33.12 C ATOM 2259 C SER A 162 7.131 0.807 -6.171 1.00 23.21 C ATOM 2260 O SER A 162 7.764 1.744 -5.713 1.00 2.35 O ATOM 2261 CB SER A 162 7.175 -1.507 -5.254 1.00 21.24 C ATOM 2262 OG SER A 162 6.638 -2.392 -4.284 1.00 51.24 O ATOM 0 H SER A 162 4.797 -1.353 -5.772 1.00 0.51 H new ATOM 0 HA SER A 162 6.488 0.244 -4.238 1.00 33.12 H new ATOM 0 HB2 SER A 162 7.100 -1.957 -6.244 1.00 21.24 H new ATOM 0 HB3 SER A 162 8.235 -1.344 -5.057 1.00 21.24 H new ATOM 0 HG SER A 162 5.750 -2.692 -4.571 1.00 51.24 H new ATOM 2268 N LYS A 163 6.970 0.625 -7.464 1.00 13.31 N ATOM 2269 CA LYS A 163 7.616 1.498 -8.435 1.00 44.40 C ATOM 2270 C LYS A 163 7.095 2.928 -8.380 1.00 11.12 C ATOM 2271 O LYS A 163 7.842 3.874 -8.630 1.00 11.12 O ATOM 2272 CB LYS A 163 7.573 0.905 -9.851 1.00 14.11 C ATOM 2273 CG LYS A 163 6.198 0.517 -10.341 1.00 74.24 C ATOM 2274 CD LYS A 163 6.288 -0.177 -11.685 1.00 54.24 C ATOM 2275 CE LYS A 163 4.942 -0.717 -12.124 1.00 0.15 C ATOM 2276 NZ LYS A 163 3.924 0.333 -12.278 1.00 43.33 N ATOM 0 H LYS A 163 6.400 -0.116 -7.872 1.00 13.31 H new ATOM 0 HA LYS A 163 8.667 1.558 -8.152 1.00 44.40 H new ATOM 0 HB2 LYS A 163 7.998 1.630 -10.545 1.00 14.11 H new ATOM 0 HB3 LYS A 163 8.214 0.024 -9.879 1.00 14.11 H new ATOM 0 HG2 LYS A 163 5.720 -0.142 -9.616 1.00 74.24 H new ATOM 0 HG3 LYS A 163 5.572 1.405 -10.425 1.00 74.24 H new ATOM 0 HD2 LYS A 163 6.661 0.523 -12.432 1.00 54.24 H new ATOM 0 HD3 LYS A 163 7.007 -0.994 -11.626 1.00 54.24 H new ATOM 0 HE2 LYS A 163 5.059 -1.243 -13.071 1.00 0.15 H new ATOM 0 HE3 LYS A 163 4.594 -1.448 -11.394 1.00 0.15 H new ATOM 0 HZ1 LYS A 163 3.045 -0.086 -12.644 1.00 43.33 H new ATOM 0 HZ2 LYS A 163 3.738 0.775 -11.355 1.00 43.33 H new ATOM 0 HZ3 LYS A 163 4.267 1.054 -12.944 1.00 43.33 H new ATOM 2290 N GLU A 164 5.829 3.085 -8.044 1.00 62.55 N ATOM 2291 CA GLU A 164 5.253 4.405 -7.960 1.00 33.01 C ATOM 2292 C GLU A 164 5.709 5.113 -6.701 1.00 34.22 C ATOM 2293 O GLU A 164 6.121 6.285 -6.739 1.00 35.32 O ATOM 2294 CB GLU A 164 3.746 4.348 -7.969 1.00 22.12 C ATOM 2295 CG GLU A 164 3.113 5.724 -8.037 1.00 54.23 C ATOM 2296 CD GLU A 164 1.634 5.683 -8.129 1.00 12.11 C ATOM 2297 OE1 GLU A 164 1.126 5.361 -9.224 1.00 65.32 O ATOM 2298 OE2 GLU A 164 0.955 6.008 -7.140 1.00 54.21 O ATOM 0 H GLU A 164 5.189 2.321 -7.828 1.00 62.55 H new ATOM 0 HA GLU A 164 5.594 4.959 -8.835 1.00 33.01 H new ATOM 0 HB2 GLU A 164 3.413 3.756 -8.822 1.00 22.12 H new ATOM 0 HB3 GLU A 164 3.400 3.836 -7.071 1.00 22.12 H new ATOM 0 HG2 GLU A 164 3.400 6.293 -7.153 1.00 54.23 H new ATOM 0 HG3 GLU A 164 3.510 6.257 -8.901 1.00 54.23 H new ATOM 2305 N ILE A 165 5.636 4.397 -5.589 1.00 1.23 N ATOM 2306 CA ILE A 165 5.948 4.953 -4.295 1.00 15.40 C ATOM 2307 C ILE A 165 7.433 5.344 -4.234 1.00 43.22 C ATOM 2308 O ILE A 165 7.809 6.350 -3.642 1.00 2.20 O ATOM 2309 CB ILE A 165 5.526 3.981 -3.131 1.00 13.54 C ATOM 2310 CG1 ILE A 165 5.548 4.687 -1.796 1.00 65.32 C ATOM 2311 CG2 ILE A 165 6.406 2.739 -3.069 1.00 4.52 C ATOM 2312 CD1 ILE A 165 4.661 5.895 -1.768 1.00 21.10 C ATOM 0 H ILE A 165 5.358 3.416 -5.566 1.00 1.23 H new ATOM 0 HA ILE A 165 5.363 5.862 -4.152 1.00 15.40 H new ATOM 0 HB ILE A 165 4.507 3.662 -3.350 1.00 13.54 H new ATOM 0 HG12 ILE A 165 5.234 3.992 -1.017 1.00 65.32 H new ATOM 0 HG13 ILE A 165 6.570 4.986 -1.564 1.00 65.32 H new ATOM 0 HG21 ILE A 165 6.076 2.100 -2.250 1.00 4.52 H new ATOM 0 HG22 ILE A 165 6.331 2.193 -4.009 1.00 4.52 H new ATOM 0 HG23 ILE A 165 7.442 3.035 -2.903 1.00 4.52 H new ATOM 0 HD11 ILE A 165 4.715 6.364 -0.785 1.00 21.10 H new ATOM 0 HD12 ILE A 165 4.989 6.605 -2.527 1.00 21.10 H new ATOM 0 HD13 ILE A 165 3.633 5.596 -1.971 1.00 21.10 H new ATOM 2324 N ASP A 166 8.222 4.551 -4.904 1.00 35.12 N ATOM 2325 CA ASP A 166 9.673 4.742 -5.077 1.00 12.05 C ATOM 2326 C ASP A 166 9.970 6.159 -5.579 1.00 13.42 C ATOM 2327 O ASP A 166 10.749 6.898 -4.972 1.00 71.14 O ATOM 2328 CB ASP A 166 10.154 3.714 -6.120 1.00 74.12 C ATOM 2329 CG ASP A 166 11.613 3.815 -6.516 1.00 1.14 C ATOM 2330 OD1 ASP A 166 11.921 4.533 -7.490 1.00 41.43 O ATOM 2331 OD2 ASP A 166 12.446 3.125 -5.913 1.00 33.34 O ATOM 0 H ASP A 166 7.877 3.713 -5.372 1.00 35.12 H new ATOM 0 HA ASP A 166 10.187 4.604 -4.125 1.00 12.05 H new ATOM 0 HB2 ASP A 166 9.971 2.713 -5.728 1.00 74.12 H new ATOM 0 HB3 ASP A 166 9.544 3.821 -7.017 1.00 74.12 H new ATOM 2336 N GLU A 167 9.290 6.546 -6.640 1.00 21.53 N ATOM 2337 CA GLU A 167 9.477 7.856 -7.246 1.00 25.53 C ATOM 2338 C GLU A 167 8.902 8.965 -6.372 1.00 31.04 C ATOM 2339 O GLU A 167 9.424 10.086 -6.350 1.00 14.51 O ATOM 2340 CB GLU A 167 8.821 7.890 -8.606 1.00 13.54 C ATOM 2341 CG GLU A 167 9.382 6.884 -9.578 1.00 51.05 C ATOM 2342 CD GLU A 167 8.677 6.923 -10.892 1.00 72.40 C ATOM 2343 OE1 GLU A 167 9.022 7.775 -11.738 1.00 10.43 O ATOM 2344 OE2 GLU A 167 7.760 6.117 -11.107 1.00 31.04 O ATOM 0 H GLU A 167 8.594 5.966 -7.108 1.00 21.53 H new ATOM 0 HA GLU A 167 10.549 8.027 -7.348 1.00 25.53 H new ATOM 0 HB2 GLU A 167 7.752 7.710 -8.488 1.00 13.54 H new ATOM 0 HB3 GLU A 167 8.932 8.889 -9.027 1.00 13.54 H new ATOM 0 HG2 GLU A 167 10.443 7.080 -9.730 1.00 51.05 H new ATOM 0 HG3 GLU A 167 9.300 5.884 -9.152 1.00 51.05 H new ATOM 2351 N HIS A 168 7.835 8.652 -5.651 1.00 73.04 N ATOM 2352 CA HIS A 168 7.183 9.628 -4.784 1.00 15.31 C ATOM 2353 C HIS A 168 8.139 10.089 -3.682 1.00 54.22 C ATOM 2354 O HIS A 168 8.256 11.270 -3.424 1.00 25.45 O ATOM 2355 CB HIS A 168 5.875 9.055 -4.187 1.00 1.14 C ATOM 2356 CG HIS A 168 5.092 10.019 -3.312 1.00 42.33 C ATOM 2357 ND1 HIS A 168 3.949 10.663 -3.730 1.00 55.23 N ATOM 2358 CD2 HIS A 168 5.284 10.407 -2.027 1.00 11.23 C ATOM 2359 CE1 HIS A 168 3.478 11.405 -2.741 1.00 34.41 C ATOM 2360 NE2 HIS A 168 4.272 11.261 -1.699 1.00 41.33 N ATOM 0 H HIS A 168 7.401 7.729 -5.648 1.00 73.04 H new ATOM 0 HA HIS A 168 6.916 10.496 -5.386 1.00 15.31 H new ATOM 0 HB2 HIS A 168 5.233 8.727 -5.005 1.00 1.14 H new ATOM 0 HB3 HIS A 168 6.119 8.170 -3.599 1.00 1.14 H new ATOM 0 HD2 HIS A 168 6.091 10.096 -1.381 1.00 11.23 H new ATOM 0 HE1 HIS A 168 2.593 12.023 -2.781 1.00 34.41 H new ATOM 0 HE2 HIS A 168 4.150 11.715 -0.794 1.00 41.33 H new ATOM 2369 N LEU A 169 8.828 9.146 -3.052 1.00 44.20 N ATOM 2370 CA LEU A 169 9.755 9.484 -1.990 1.00 65.11 C ATOM 2371 C LEU A 169 11.029 10.119 -2.479 1.00 13.11 C ATOM 2372 O LEU A 169 11.712 10.758 -1.716 1.00 70.44 O ATOM 2373 CB LEU A 169 10.038 8.338 -1.025 1.00 40.21 C ATOM 2374 CG LEU A 169 8.914 7.945 -0.063 1.00 25.12 C ATOM 2375 CD1 LEU A 169 8.457 9.129 0.765 1.00 72.32 C ATOM 2376 CD2 LEU A 169 7.753 7.311 -0.769 1.00 13.11 C ATOM 0 H LEU A 169 8.761 8.149 -3.259 1.00 44.20 H new ATOM 0 HA LEU A 169 9.225 10.244 -1.417 1.00 65.11 H new ATOM 0 HB2 LEU A 169 10.304 7.459 -1.612 1.00 40.21 H new ATOM 0 HB3 LEU A 169 10.914 8.603 -0.432 1.00 40.21 H new ATOM 0 HG LEU A 169 9.330 7.196 0.610 1.00 25.12 H new ATOM 0 HD11 LEU A 169 7.658 8.816 1.438 1.00 72.32 H new ATOM 0 HD12 LEU A 169 9.295 9.510 1.349 1.00 72.32 H new ATOM 0 HD13 LEU A 169 8.089 9.914 0.105 1.00 72.32 H new ATOM 0 HD21 LEU A 169 6.983 7.051 -0.042 1.00 13.11 H new ATOM 0 HD22 LEU A 169 7.343 8.011 -1.497 1.00 13.11 H new ATOM 0 HD23 LEU A 169 8.087 6.409 -1.282 1.00 13.11 H new ATOM 2388 N LEU A 170 11.391 9.893 -3.723 1.00 35.23 N ATOM 2389 CA LEU A 170 12.574 10.562 -4.279 1.00 55.45 C ATOM 2390 C LEU A 170 12.321 12.049 -4.440 1.00 72.23 C ATOM 2391 O LEU A 170 13.253 12.865 -4.499 1.00 34.04 O ATOM 2392 CB LEU A 170 12.999 9.928 -5.581 1.00 3.34 C ATOM 2393 CG LEU A 170 13.466 8.491 -5.467 1.00 15.23 C ATOM 2394 CD1 LEU A 170 13.831 7.953 -6.834 1.00 51.23 C ATOM 2395 CD2 LEU A 170 14.652 8.403 -4.509 1.00 5.51 C ATOM 0 H LEU A 170 10.904 9.268 -4.366 1.00 35.23 H new ATOM 0 HA LEU A 170 13.397 10.437 -3.576 1.00 55.45 H new ATOM 0 HB2 LEU A 170 12.162 9.969 -6.279 1.00 3.34 H new ATOM 0 HB3 LEU A 170 13.804 10.523 -6.013 1.00 3.34 H new ATOM 0 HG LEU A 170 12.657 7.880 -5.067 1.00 15.23 H new ATOM 0 HD11 LEU A 170 14.165 6.920 -6.741 1.00 51.23 H new ATOM 0 HD12 LEU A 170 12.959 7.995 -7.486 1.00 51.23 H new ATOM 0 HD13 LEU A 170 14.632 8.557 -7.261 1.00 51.23 H new ATOM 0 HD21 LEU A 170 14.982 7.367 -4.432 1.00 5.51 H new ATOM 0 HD22 LEU A 170 15.470 9.017 -4.885 1.00 5.51 H new ATOM 0 HD23 LEU A 170 14.352 8.762 -3.525 1.00 5.51 H new