USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1111 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 91 THR OG1 : rot -84:sc= 0.702 USER MOD Set 1.2: A 93 CYS SG : rot 77:sc= 0.376 USER MOD Set 2.1: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 45 GLN : amide:sc= 0.0874 X(o=0.12,f=-0.19) USER MOD Set 3.2: A 111 SER OG : rot 180:sc= 0.0374 USER MOD Set 4.1: A 44 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-4.9!) USER MOD Set 4.2: A 46 GLN : amide:sc= 0 K(o=-2.9,f=-3.6) USER MOD Set 5.1: A 25 ASN : amide:sc= 0.405 K(o=0.055,f=-4.6!) USER MOD Set 5.2: A 88 GLN :FLIP amide:sc= -0.35 F(o=-3.3!,f=0.055) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.103 (180deg=-0.00528) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.22) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00632 X(o=-0.0063,f=-0.0063) USER MOD Single : A 7 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=-0.27) USER MOD Single : A 8 HIS : no HE2:sc= -0.051 X(o=-0.051,f=-0.43) USER MOD Single : A 9 SER OG : rot 20:sc= 0.097 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 11 MET CE :methyl -170:sc= 0 (180deg=-0.19) USER MOD Single : A 12 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 17 SER OG : rot 111:sc= -0.274 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 39 SER OG : rot 69:sc= 1.13 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 1.35 K(o=1.4,f=-0.67) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.04) USER MOD Single : A 67 ASN : amide:sc= -0.71 K(o=-0.71,f=-3.7!) USER MOD Single : A 69 GLN : amide:sc= -2.02 K(o=-2,f=-6.6!) USER MOD Single : A 70 THR OG1 : rot 120:sc= -0.0536 USER MOD Single : A 73 MET CE :methyl -177:sc= -1.52 (180deg=-1.68) USER MOD Single : A 74 SER OG : rot 78:sc= 0.762 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 40:sc= 0.333 USER MOD Single : A 97 THR OG1 : rot 165:sc= -0.0433 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -116:sc= -1.44 (180deg=-1.45) USER MOD Single : A 109 GLN : amide:sc= -0.694 K(o=-0.69,f=-1.6!) USER MOD Single : A 113 LYS NZ :NH3+ 149:sc= 2.07 (180deg=0.884) USER MOD Single : A 114 GLN : amide:sc= -0.797 K(o=-0.8,f=-4.3!) USER MOD Single : A 115 ASN :FLIP amide:sc= -0.352 F(o=-3.8!,f=-0.35) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A 123 ASN : amide:sc= -0.0819 K(o=-0.082,f=-0.83) USER MOD Single : A 124 SER OG : rot 170:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 73:sc= 1.18 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 39:sc= 0.0338 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -49.404 2.435 2.416 1.00 33.31 N ATOM 2 CA MET A 1 -48.178 2.980 3.039 1.00 2.44 C ATOM 3 C MET A 1 -46.987 2.818 2.075 1.00 11.14 C ATOM 4 O MET A 1 -47.108 2.179 1.018 1.00 40.02 O ATOM 5 CB MET A 1 -47.893 2.292 4.404 1.00 22.12 C ATOM 6 CG MET A 1 -48.958 2.527 5.480 1.00 13.42 C ATOM 7 SD MET A 1 -48.494 1.805 7.074 1.00 2.51 S ATOM 8 CE MET A 1 -49.881 2.273 8.113 1.00 34.11 C ATOM 0 H1 MET A 1 -50.097 3.199 2.288 1.00 33.31 H new ATOM 0 H2 MET A 1 -49.169 2.022 1.491 1.00 33.31 H new ATOM 0 H3 MET A 1 -49.809 1.700 3.031 1.00 33.31 H new ATOM 0 HA MET A 1 -48.326 4.042 3.235 1.00 2.44 H new ATOM 0 HB2 MET A 1 -47.794 1.219 4.240 1.00 22.12 H new ATOM 0 HB3 MET A 1 -46.933 2.647 4.780 1.00 22.12 H new ATOM 0 HG2 MET A 1 -49.118 3.598 5.602 1.00 13.42 H new ATOM 0 HG3 MET A 1 -49.905 2.098 5.151 1.00 13.42 H new ATOM 0 HE1 MET A 1 -49.724 1.892 9.122 1.00 34.11 H new ATOM 0 HE2 MET A 1 -49.962 3.360 8.144 1.00 34.11 H new ATOM 0 HE3 MET A 1 -50.800 1.852 7.705 1.00 34.11 H new ATOM 20 N GLY A 2 -45.850 3.431 2.441 1.00 11.34 N ATOM 21 CA GLY A 2 -44.627 3.395 1.636 1.00 32.52 C ATOM 22 C GLY A 2 -43.983 4.770 1.535 1.00 74.23 C ATOM 23 O GLY A 2 -44.658 5.791 1.726 1.00 0.12 O ATOM 0 H GLY A 2 -45.757 3.965 3.305 1.00 11.34 H new ATOM 0 HA2 GLY A 2 -43.920 2.693 2.078 1.00 32.52 H new ATOM 0 HA3 GLY A 2 -44.859 3.027 0.637 1.00 32.52 H new ATOM 27 N HIS A 3 -42.667 4.794 1.261 1.00 3.35 N ATOM 28 CA HIS A 3 -41.873 6.030 1.081 1.00 3.44 C ATOM 29 C HIS A 3 -40.807 5.789 0.001 1.00 73.24 C ATOM 30 O HIS A 3 -40.199 4.713 -0.046 1.00 25.03 O ATOM 31 CB HIS A 3 -41.190 6.475 2.413 1.00 72.51 C ATOM 32 CG HIS A 3 -42.152 6.907 3.493 1.00 52.43 C ATOM 33 ND1 HIS A 3 -42.491 6.120 4.569 1.00 3.11 N ATOM 34 CD2 HIS A 3 -42.841 8.061 3.653 1.00 52.42 C ATOM 35 CE1 HIS A 3 -43.355 6.762 5.326 1.00 74.03 C ATOM 36 NE2 HIS A 3 -43.585 7.939 4.794 1.00 53.43 N ATOM 0 H HIS A 3 -42.113 3.944 1.156 1.00 3.35 H new ATOM 0 HA HIS A 3 -42.546 6.830 0.773 1.00 3.44 H new ATOM 0 HB2 HIS A 3 -40.586 5.650 2.790 1.00 72.51 H new ATOM 0 HB3 HIS A 3 -40.508 7.298 2.200 1.00 72.51 H new ATOM 0 HD2 HIS A 3 -42.809 8.920 3.000 1.00 52.42 H new ATOM 0 HE1 HIS A 3 -43.801 6.383 6.234 1.00 74.03 H new ATOM 0 HE2 HIS A 3 -44.216 8.647 5.170 1.00 53.43 H new ATOM 45 N HIS A 4 -40.586 6.797 -0.855 1.00 24.34 N ATOM 46 CA HIS A 4 -39.619 6.732 -1.958 1.00 11.41 C ATOM 47 C HIS A 4 -39.200 8.167 -2.359 1.00 65.33 C ATOM 48 O HIS A 4 -39.991 8.916 -2.939 1.00 40.10 O ATOM 49 CB HIS A 4 -40.210 5.934 -3.172 1.00 14.24 C ATOM 50 CG HIS A 4 -41.472 6.513 -3.761 1.00 64.45 C ATOM 51 ND1 HIS A 4 -41.491 7.217 -4.947 1.00 75.24 N ATOM 52 CD2 HIS A 4 -42.757 6.498 -3.322 1.00 72.24 C ATOM 53 CE1 HIS A 4 -42.719 7.624 -5.198 1.00 40.30 C ATOM 54 NE2 HIS A 4 -43.505 7.195 -4.235 1.00 42.34 N ATOM 0 H HIS A 4 -41.079 7.688 -0.800 1.00 24.34 H new ATOM 0 HA HIS A 4 -38.730 6.194 -1.630 1.00 11.41 H new ATOM 0 HB2 HIS A 4 -39.453 5.879 -3.955 1.00 14.24 H new ATOM 0 HB3 HIS A 4 -40.412 4.912 -2.852 1.00 14.24 H new ATOM 0 HD2 HIS A 4 -43.121 6.025 -2.422 1.00 72.24 H new ATOM 0 HE1 HIS A 4 -43.028 8.211 -6.051 1.00 40.30 H new ATOM 0 HE2 HIS A 4 -44.511 7.355 -4.177 1.00 42.34 H new ATOM 63 N HIS A 5 -37.984 8.569 -1.959 1.00 4.12 N ATOM 64 CA HIS A 5 -37.360 9.846 -2.370 1.00 11.24 C ATOM 65 C HIS A 5 -35.867 9.596 -2.575 1.00 63.44 C ATOM 66 O HIS A 5 -35.036 9.983 -1.744 1.00 71.22 O ATOM 67 CB HIS A 5 -37.622 10.989 -1.335 1.00 21.32 C ATOM 68 CG HIS A 5 -38.992 11.611 -1.428 1.00 52.44 C ATOM 69 ND1 HIS A 5 -39.295 12.600 -2.336 1.00 73.41 N ATOM 70 CD2 HIS A 5 -40.134 11.387 -0.734 1.00 22.33 C ATOM 71 CE1 HIS A 5 -40.555 12.953 -2.199 1.00 52.41 C ATOM 72 NE2 HIS A 5 -41.087 12.238 -1.233 1.00 24.20 N ATOM 0 H HIS A 5 -37.397 8.015 -1.335 1.00 4.12 H new ATOM 0 HA HIS A 5 -37.809 10.189 -3.302 1.00 11.24 H new ATOM 0 HB2 HIS A 5 -37.485 10.591 -0.330 1.00 21.32 H new ATOM 0 HB3 HIS A 5 -36.872 11.768 -1.475 1.00 21.32 H new ATOM 0 HD2 HIS A 5 -40.269 10.671 0.064 1.00 22.33 H new ATOM 0 HE1 HIS A 5 -41.066 13.704 -2.782 1.00 52.41 H new ATOM 0 HE2 HIS A 5 -42.051 12.305 -0.907 1.00 24.20 H new ATOM 81 N HIS A 6 -35.555 8.897 -3.680 1.00 43.55 N ATOM 82 CA HIS A 6 -34.194 8.439 -3.998 1.00 20.23 C ATOM 83 C HIS A 6 -33.295 9.641 -4.344 1.00 51.14 C ATOM 84 O HIS A 6 -33.560 10.338 -5.329 1.00 21.32 O ATOM 85 CB HIS A 6 -34.233 7.424 -5.172 1.00 22.34 C ATOM 86 CG HIS A 6 -35.186 6.269 -4.959 1.00 24.03 C ATOM 87 ND1 HIS A 6 -36.105 5.860 -5.907 1.00 70.22 N ATOM 88 CD2 HIS A 6 -35.352 5.427 -3.905 1.00 44.35 C ATOM 89 CE1 HIS A 6 -36.784 4.831 -5.450 1.00 21.30 C ATOM 90 NE2 HIS A 6 -36.349 4.549 -4.241 1.00 23.34 N ATOM 0 H HIS A 6 -36.246 8.633 -4.382 1.00 43.55 H new ATOM 0 HA HIS A 6 -33.775 7.939 -3.125 1.00 20.23 H new ATOM 0 HB2 HIS A 6 -34.515 7.950 -6.084 1.00 22.34 H new ATOM 0 HB3 HIS A 6 -33.230 7.029 -5.330 1.00 22.34 H new ATOM 0 HD2 HIS A 6 -34.801 5.446 -2.976 1.00 44.35 H new ATOM 0 HE1 HIS A 6 -37.566 4.306 -5.978 1.00 21.30 H new ATOM 0 HE2 HIS A 6 -36.698 3.796 -3.648 1.00 23.34 H new ATOM 99 N HIS A 7 -32.244 9.876 -3.522 1.00 42.45 N ATOM 100 CA HIS A 7 -31.356 11.051 -3.649 1.00 1.13 C ATOM 101 C HIS A 7 -30.503 10.977 -4.951 1.00 51.14 C ATOM 102 O HIS A 7 -29.390 10.442 -4.979 1.00 64.34 O ATOM 103 CB HIS A 7 -30.492 11.247 -2.350 1.00 10.41 C ATOM 104 CG HIS A 7 -29.518 10.139 -1.995 1.00 44.32 C ATOM 105 ND1 HIS A 7 -29.885 8.983 -1.339 1.00 12.14 N ATOM 106 CD2 HIS A 7 -28.175 10.036 -2.185 1.00 15.31 C ATOM 107 CE1 HIS A 7 -28.820 8.228 -1.144 1.00 14.33 C ATOM 108 NE2 HIS A 7 -27.777 8.843 -1.647 1.00 55.11 N ATOM 0 H HIS A 7 -31.990 9.255 -2.754 1.00 42.45 H new ATOM 0 HA HIS A 7 -31.974 11.944 -3.744 1.00 1.13 H new ATOM 0 HB2 HIS A 7 -29.927 12.173 -2.456 1.00 10.41 H new ATOM 0 HB3 HIS A 7 -31.172 11.383 -1.509 1.00 10.41 H new ATOM 0 HD2 HIS A 7 -27.540 10.762 -2.671 1.00 15.31 H new ATOM 0 HE1 HIS A 7 -28.810 7.266 -0.653 1.00 14.33 H new ATOM 0 HE2 HIS A 7 -26.821 8.488 -1.638 1.00 55.11 H new ATOM 117 N HIS A 8 -31.090 11.499 -6.041 1.00 72.13 N ATOM 118 CA HIS A 8 -30.530 11.408 -7.412 1.00 21.13 C ATOM 119 C HIS A 8 -29.690 12.643 -7.789 1.00 74.10 C ATOM 120 O HIS A 8 -29.214 12.739 -8.927 1.00 40.53 O ATOM 121 CB HIS A 8 -31.675 11.160 -8.444 1.00 4.14 C ATOM 122 CG HIS A 8 -32.844 12.118 -8.377 1.00 11.14 C ATOM 123 ND1 HIS A 8 -34.071 11.758 -7.857 1.00 13.21 N ATOM 124 CD2 HIS A 8 -32.988 13.406 -8.793 1.00 63.43 C ATOM 125 CE1 HIS A 8 -34.905 12.775 -7.949 1.00 74.50 C ATOM 126 NE2 HIS A 8 -34.277 13.778 -8.520 1.00 60.12 N ATOM 0 H HIS A 8 -31.976 12.003 -6.001 1.00 72.13 H new ATOM 0 HA HIS A 8 -29.848 10.558 -7.434 1.00 21.13 H new ATOM 0 HB2 HIS A 8 -31.250 11.205 -9.447 1.00 4.14 H new ATOM 0 HB3 HIS A 8 -32.052 10.147 -8.303 1.00 4.14 H new ATOM 0 HD1 HIS A 8 -34.298 10.845 -7.462 1.00 13.21 H new ATOM 0 HD2 HIS A 8 -32.227 14.020 -9.253 1.00 63.43 H new ATOM 0 HE1 HIS A 8 -35.931 12.782 -7.612 1.00 74.50 H new ATOM 135 N SER A 9 -29.499 13.572 -6.840 1.00 20.12 N ATOM 136 CA SER A 9 -28.673 14.775 -7.047 1.00 23.30 C ATOM 137 C SER A 9 -27.251 14.518 -6.498 1.00 62.23 C ATOM 138 O SER A 9 -27.100 14.026 -5.379 1.00 43.03 O ATOM 139 CB SER A 9 -29.331 15.987 -6.347 1.00 42.21 C ATOM 140 OG SER A 9 -29.407 15.790 -4.949 1.00 50.32 O ATOM 0 H SER A 9 -29.911 13.512 -5.909 1.00 20.12 H new ATOM 0 HA SER A 9 -28.599 14.998 -8.111 1.00 23.30 H new ATOM 0 HB2 SER A 9 -28.757 16.889 -6.559 1.00 42.21 H new ATOM 0 HB3 SER A 9 -30.332 16.144 -6.750 1.00 42.21 H new ATOM 0 HG SER A 9 -28.765 15.100 -4.680 1.00 50.32 H new ATOM 146 N HIS A 10 -26.216 14.816 -7.298 1.00 14.13 N ATOM 147 CA HIS A 10 -24.794 14.627 -6.908 1.00 33.12 C ATOM 148 C HIS A 10 -24.104 15.981 -6.733 1.00 1.21 C ATOM 149 O HIS A 10 -24.510 16.967 -7.343 1.00 33.45 O ATOM 150 CB HIS A 10 -24.046 13.793 -7.985 1.00 4.34 C ATOM 151 CG HIS A 10 -24.343 12.317 -7.937 1.00 13.54 C ATOM 152 ND1 HIS A 10 -23.373 11.360 -7.715 1.00 25.15 N ATOM 153 CD2 HIS A 10 -25.502 11.636 -8.089 1.00 64.44 C ATOM 154 CE1 HIS A 10 -23.927 10.164 -7.727 1.00 70.02 C ATOM 155 NE2 HIS A 10 -25.213 10.303 -7.953 1.00 43.32 N ATOM 0 H HIS A 10 -26.333 15.196 -8.237 1.00 14.13 H new ATOM 0 HA HIS A 10 -24.767 14.091 -5.960 1.00 33.12 H new ATOM 0 HB2 HIS A 10 -24.310 14.174 -8.972 1.00 4.34 H new ATOM 0 HB3 HIS A 10 -22.973 13.941 -7.863 1.00 4.34 H new ATOM 0 HD2 HIS A 10 -26.475 12.063 -8.282 1.00 64.44 H new ATOM 0 HE1 HIS A 10 -23.410 9.228 -7.576 1.00 70.02 H new ATOM 0 HE2 HIS A 10 -25.888 9.541 -8.017 1.00 43.32 H new ATOM 164 N MET A 11 -23.044 16.012 -5.908 1.00 15.44 N ATOM 165 CA MET A 11 -22.184 17.191 -5.759 1.00 31.34 C ATOM 166 C MET A 11 -21.198 17.236 -6.937 1.00 14.44 C ATOM 167 O MET A 11 -20.285 16.406 -7.021 1.00 42.05 O ATOM 168 CB MET A 11 -21.414 17.149 -4.407 1.00 0.41 C ATOM 169 CG MET A 11 -20.464 18.338 -4.189 1.00 24.23 C ATOM 170 SD MET A 11 -21.311 19.929 -4.260 1.00 43.02 S ATOM 171 CE MET A 11 -19.939 21.071 -4.456 1.00 25.22 C ATOM 0 H MET A 11 -22.762 15.221 -5.329 1.00 15.44 H new ATOM 0 HA MET A 11 -22.801 18.090 -5.760 1.00 31.34 H new ATOM 0 HB2 MET A 11 -22.136 17.120 -3.591 1.00 0.41 H new ATOM 0 HB3 MET A 11 -20.839 16.224 -4.357 1.00 0.41 H new ATOM 0 HG2 MET A 11 -19.975 18.234 -3.220 1.00 24.23 H new ATOM 0 HG3 MET A 11 -19.680 18.315 -4.946 1.00 24.23 H new ATOM 0 HE1 MET A 11 -20.297 22.094 -4.336 1.00 25.22 H new ATOM 0 HE2 MET A 11 -19.180 20.861 -3.702 1.00 25.22 H new ATOM 0 HE3 MET A 11 -19.506 20.953 -5.449 1.00 25.22 H new ATOM 181 N GLN A 12 -21.427 18.157 -7.879 1.00 21.34 N ATOM 182 CA GLN A 12 -20.486 18.419 -8.980 1.00 14.14 C ATOM 183 C GLN A 12 -19.378 19.348 -8.453 1.00 10.11 C ATOM 184 O GLN A 12 -19.641 20.522 -8.153 1.00 24.43 O ATOM 185 CB GLN A 12 -21.188 19.046 -10.226 1.00 64.24 C ATOM 186 CG GLN A 12 -22.185 18.115 -10.965 1.00 11.53 C ATOM 187 CD GLN A 12 -23.513 17.894 -10.233 1.00 53.21 C ATOM 188 OE1 GLN A 12 -23.995 18.772 -9.510 1.00 10.31 O ATOM 189 NE2 GLN A 12 -24.117 16.728 -10.400 1.00 1.53 N ATOM 0 H GLN A 12 -22.264 18.740 -7.903 1.00 21.34 H new ATOM 0 HA GLN A 12 -20.064 17.472 -9.315 1.00 14.14 H new ATOM 0 HB2 GLN A 12 -21.721 19.943 -9.909 1.00 64.24 H new ATOM 0 HB3 GLN A 12 -20.421 19.364 -10.933 1.00 64.24 H new ATOM 0 HG2 GLN A 12 -22.393 18.535 -11.949 1.00 11.53 H new ATOM 0 HG3 GLN A 12 -21.708 17.148 -11.126 1.00 11.53 H new ATOM 0 HE21 GLN A 12 -23.699 16.019 -11.002 1.00 1.53 H new ATOM 0 HE22 GLN A 12 -25.000 16.539 -9.926 1.00 1.53 H new ATOM 198 N GLU A 13 -18.152 18.817 -8.327 1.00 41.24 N ATOM 199 CA GLU A 13 -17.029 19.529 -7.683 1.00 70.34 C ATOM 200 C GLU A 13 -15.708 19.261 -8.437 1.00 23.12 C ATOM 201 O GLU A 13 -15.469 18.148 -8.929 1.00 75.24 O ATOM 202 CB GLU A 13 -16.913 19.097 -6.192 1.00 5.22 C ATOM 203 CG GLU A 13 -16.580 17.609 -5.970 1.00 61.40 C ATOM 204 CD GLU A 13 -16.510 17.211 -4.492 1.00 45.34 C ATOM 205 OE1 GLU A 13 -15.420 17.296 -3.894 1.00 70.14 O ATOM 206 OE2 GLU A 13 -17.542 16.797 -3.926 1.00 5.30 O ATOM 0 H GLU A 13 -17.908 17.886 -8.666 1.00 41.24 H new ATOM 0 HA GLU A 13 -17.224 20.601 -7.722 1.00 70.34 H new ATOM 0 HB2 GLU A 13 -16.143 19.702 -5.713 1.00 5.22 H new ATOM 0 HB3 GLU A 13 -17.854 19.322 -5.690 1.00 5.22 H new ATOM 0 HG2 GLU A 13 -17.334 16.998 -6.467 1.00 61.40 H new ATOM 0 HG3 GLU A 13 -15.625 17.384 -6.444 1.00 61.40 H new ATOM 213 N LEU A 14 -14.888 20.315 -8.577 1.00 10.41 N ATOM 214 CA LEU A 14 -13.526 20.223 -9.123 1.00 44.15 C ATOM 215 C LEU A 14 -12.568 20.012 -7.930 1.00 14.43 C ATOM 216 O LEU A 14 -12.615 20.801 -6.980 1.00 25.42 O ATOM 217 CB LEU A 14 -13.139 21.501 -9.932 1.00 50.13 C ATOM 218 CG LEU A 14 -14.002 21.820 -11.206 1.00 63.32 C ATOM 219 CD1 LEU A 14 -15.423 22.299 -10.846 1.00 54.11 C ATOM 220 CD2 LEU A 14 -13.284 22.836 -12.122 1.00 4.11 C ATOM 0 H LEU A 14 -15.155 21.263 -8.312 1.00 10.41 H new ATOM 0 HA LEU A 14 -13.461 19.390 -9.823 1.00 44.15 H new ATOM 0 HB2 LEU A 14 -13.194 22.358 -9.261 1.00 50.13 H new ATOM 0 HB3 LEU A 14 -12.098 21.405 -10.242 1.00 50.13 H new ATOM 0 HG LEU A 14 -14.115 20.886 -11.757 1.00 63.32 H new ATOM 0 HD11 LEU A 14 -15.979 22.506 -11.760 1.00 54.11 H new ATOM 0 HD12 LEU A 14 -15.935 21.523 -10.277 1.00 54.11 H new ATOM 0 HD13 LEU A 14 -15.360 23.207 -10.246 1.00 54.11 H new ATOM 0 HD21 LEU A 14 -13.903 23.039 -12.996 1.00 4.11 H new ATOM 0 HD22 LEU A 14 -13.114 23.763 -11.574 1.00 4.11 H new ATOM 0 HD23 LEU A 14 -12.327 22.424 -12.443 1.00 4.11 H new ATOM 232 N PRO A 15 -11.699 18.952 -7.944 1.00 11.22 N ATOM 233 CA PRO A 15 -10.874 18.570 -6.766 1.00 11.32 C ATOM 234 C PRO A 15 -9.939 19.699 -6.270 1.00 73.05 C ATOM 235 O PRO A 15 -8.948 20.033 -6.931 1.00 32.23 O ATOM 236 CB PRO A 15 -10.081 17.333 -7.261 1.00 72.42 C ATOM 237 CG PRO A 15 -10.876 16.812 -8.425 1.00 15.30 C ATOM 238 CD PRO A 15 -11.444 18.038 -9.093 1.00 33.22 C ATOM 0 HA PRO A 15 -11.493 18.362 -5.894 1.00 11.32 H new ATOM 0 HB2 PRO A 15 -9.070 17.605 -7.562 1.00 72.42 H new ATOM 0 HB3 PRO A 15 -9.988 16.582 -6.477 1.00 72.42 H new ATOM 0 HG2 PRO A 15 -10.246 16.246 -9.111 1.00 15.30 H new ATOM 0 HG3 PRO A 15 -11.668 16.141 -8.093 1.00 15.30 H new ATOM 0 HD2 PRO A 15 -10.743 18.471 -9.807 1.00 33.22 H new ATOM 0 HD3 PRO A 15 -12.359 17.813 -9.641 1.00 33.22 H new ATOM 246 N ASP A 16 -10.297 20.300 -5.113 1.00 13.45 N ATOM 247 CA ASP A 16 -9.462 21.312 -4.433 1.00 74.42 C ATOM 248 C ASP A 16 -8.334 20.614 -3.655 1.00 41.24 C ATOM 249 O ASP A 16 -8.359 20.500 -2.419 1.00 13.22 O ATOM 250 CB ASP A 16 -10.310 22.231 -3.517 1.00 53.24 C ATOM 251 CG ASP A 16 -11.240 23.148 -4.322 1.00 31.33 C ATOM 252 OD1 ASP A 16 -10.786 24.213 -4.784 1.00 34.24 O ATOM 253 OD2 ASP A 16 -12.422 22.808 -4.516 1.00 50.21 O ATOM 0 H ASP A 16 -11.170 20.097 -4.627 1.00 13.45 H new ATOM 0 HA ASP A 16 -9.014 21.959 -5.187 1.00 74.42 H new ATOM 0 HB2 ASP A 16 -10.904 21.618 -2.839 1.00 53.24 H new ATOM 0 HB3 ASP A 16 -9.648 22.838 -2.900 1.00 53.24 H new ATOM 258 N SER A 17 -7.375 20.119 -4.439 1.00 32.23 N ATOM 259 CA SER A 17 -6.197 19.375 -3.985 1.00 44.33 C ATOM 260 C SER A 17 -5.139 19.457 -5.091 1.00 45.12 C ATOM 261 O SER A 17 -5.492 19.498 -6.282 1.00 22.11 O ATOM 262 CB SER A 17 -6.559 17.894 -3.703 1.00 2.04 C ATOM 263 OG SER A 17 -7.455 17.776 -2.611 1.00 32.35 O ATOM 0 H SER A 17 -7.398 20.230 -5.453 1.00 32.23 H new ATOM 0 HA SER A 17 -5.818 19.805 -3.058 1.00 44.33 H new ATOM 0 HB2 SER A 17 -7.008 17.453 -4.593 1.00 2.04 H new ATOM 0 HB3 SER A 17 -5.650 17.330 -3.492 1.00 2.04 H new ATOM 0 HG SER A 17 -8.331 17.481 -2.937 1.00 32.35 H new ATOM 269 N GLY A 18 -3.855 19.505 -4.702 1.00 23.50 N ATOM 270 CA GLY A 18 -2.754 19.475 -5.658 1.00 61.53 C ATOM 271 C GLY A 18 -2.647 18.130 -6.377 1.00 42.31 C ATOM 272 O GLY A 18 -3.164 17.121 -5.879 1.00 33.21 O ATOM 0 H GLY A 18 -3.561 19.565 -3.727 1.00 23.50 H new ATOM 0 HA2 GLY A 18 -2.892 20.268 -6.393 1.00 61.53 H new ATOM 0 HA3 GLY A 18 -1.819 19.682 -5.138 1.00 61.53 H new ATOM 276 N ALA A 19 -1.994 18.127 -7.553 1.00 52.34 N ATOM 277 CA ALA A 19 -1.755 16.896 -8.336 1.00 4.10 C ATOM 278 C ALA A 19 -0.929 15.903 -7.507 1.00 13.31 C ATOM 279 O ALA A 19 0.142 16.268 -6.998 1.00 71.14 O ATOM 280 CB ALA A 19 -1.073 17.212 -9.682 1.00 23.21 C ATOM 0 H ALA A 19 -1.619 18.970 -7.987 1.00 52.34 H new ATOM 0 HA ALA A 19 -2.716 16.437 -8.567 1.00 4.10 H new ATOM 0 HB1 ALA A 19 -0.911 16.286 -10.234 1.00 23.21 H new ATOM 0 HB2 ALA A 19 -1.711 17.876 -10.266 1.00 23.21 H new ATOM 0 HB3 ALA A 19 -0.115 17.698 -9.499 1.00 23.21 H new ATOM 286 N LEU A 20 -1.441 14.658 -7.378 1.00 14.42 N ATOM 287 CA LEU A 20 -0.881 13.647 -6.471 1.00 43.53 C ATOM 288 C LEU A 20 0.504 13.223 -6.978 1.00 63.34 C ATOM 289 O LEU A 20 0.619 12.460 -7.944 1.00 23.31 O ATOM 290 CB LEU A 20 -1.843 12.413 -6.338 1.00 74.20 C ATOM 291 CG LEU A 20 -1.476 11.366 -5.229 1.00 54.43 C ATOM 292 CD1 LEU A 20 -1.564 11.993 -3.834 1.00 44.31 C ATOM 293 CD2 LEU A 20 -2.356 10.100 -5.317 1.00 1.42 C ATOM 0 H LEU A 20 -2.253 14.332 -7.902 1.00 14.42 H new ATOM 0 HA LEU A 20 -0.776 14.078 -5.476 1.00 43.53 H new ATOM 0 HB2 LEU A 20 -2.849 12.783 -6.141 1.00 74.20 H new ATOM 0 HB3 LEU A 20 -1.875 11.898 -7.298 1.00 74.20 H new ATOM 0 HG LEU A 20 -0.445 11.058 -5.405 1.00 54.43 H new ATOM 0 HD11 LEU A 20 -1.305 11.247 -3.083 1.00 44.31 H new ATOM 0 HD12 LEU A 20 -0.870 12.831 -3.767 1.00 44.31 H new ATOM 0 HD13 LEU A 20 -2.580 12.348 -3.658 1.00 44.31 H new ATOM 0 HD21 LEU A 20 -2.068 9.402 -4.531 1.00 1.42 H new ATOM 0 HD22 LEU A 20 -3.403 10.375 -5.192 1.00 1.42 H new ATOM 0 HD23 LEU A 20 -2.218 9.628 -6.290 1.00 1.42 H new ATOM 305 N MET A 21 1.544 13.785 -6.355 1.00 63.15 N ATOM 306 CA MET A 21 2.948 13.465 -6.640 1.00 22.13 C ATOM 307 C MET A 21 3.546 12.881 -5.369 1.00 24.34 C ATOM 308 O MET A 21 3.957 13.627 -4.471 1.00 72.11 O ATOM 309 CB MET A 21 3.729 14.742 -7.083 1.00 53.31 C ATOM 310 CG MET A 21 5.246 14.552 -7.257 1.00 41.32 C ATOM 311 SD MET A 21 6.135 16.108 -7.459 1.00 65.24 S ATOM 312 CE MET A 21 7.828 15.539 -7.616 1.00 34.42 C ATOM 0 H MET A 21 1.433 14.488 -5.625 1.00 63.15 H new ATOM 0 HA MET A 21 3.017 12.749 -7.459 1.00 22.13 H new ATOM 0 HB2 MET A 21 3.312 15.095 -8.026 1.00 53.31 H new ATOM 0 HB3 MET A 21 3.559 15.527 -6.346 1.00 53.31 H new ATOM 0 HG2 MET A 21 5.642 14.024 -6.389 1.00 41.32 H new ATOM 0 HG3 MET A 21 5.430 13.920 -8.126 1.00 41.32 H new ATOM 0 HE1 MET A 21 8.489 16.396 -7.747 1.00 34.42 H new ATOM 0 HE2 MET A 21 8.114 14.994 -6.716 1.00 34.42 H new ATOM 0 HE3 MET A 21 7.912 14.881 -8.481 1.00 34.42 H new ATOM 322 N LEU A 22 3.594 11.546 -5.287 1.00 2.31 N ATOM 323 CA LEU A 22 4.071 10.836 -4.105 1.00 23.13 C ATOM 324 C LEU A 22 5.597 10.888 -4.072 1.00 50.05 C ATOM 325 O LEU A 22 6.261 10.592 -5.072 1.00 53.32 O ATOM 326 CB LEU A 22 3.533 9.379 -4.105 1.00 42.23 C ATOM 327 CG LEU A 22 1.979 9.247 -4.000 1.00 71.41 C ATOM 328 CD1 LEU A 22 1.519 7.816 -4.315 1.00 21.41 C ATOM 329 CD2 LEU A 22 1.465 9.707 -2.625 1.00 74.42 C ATOM 0 H LEU A 22 3.301 10.929 -6.045 1.00 2.31 H new ATOM 0 HA LEU A 22 3.697 11.315 -3.200 1.00 23.13 H new ATOM 0 HB2 LEU A 22 3.863 8.886 -5.019 1.00 42.23 H new ATOM 0 HB3 LEU A 22 3.985 8.841 -3.272 1.00 42.23 H new ATOM 0 HG LEU A 22 1.544 9.908 -4.750 1.00 71.41 H new ATOM 0 HD11 LEU A 22 0.434 7.756 -4.234 1.00 21.41 H new ATOM 0 HD12 LEU A 22 1.822 7.551 -5.328 1.00 21.41 H new ATOM 0 HD13 LEU A 22 1.974 7.123 -3.607 1.00 21.41 H new ATOM 0 HD21 LEU A 22 0.381 9.601 -2.588 1.00 74.42 H new ATOM 0 HD22 LEU A 22 1.916 9.095 -1.844 1.00 74.42 H new ATOM 0 HD23 LEU A 22 1.733 10.752 -2.467 1.00 74.42 H new ATOM 341 N VAL A 23 6.129 11.329 -2.933 1.00 60.33 N ATOM 342 CA VAL A 23 7.570 11.487 -2.685 1.00 72.11 C ATOM 343 C VAL A 23 7.926 10.730 -1.381 1.00 53.30 C ATOM 344 O VAL A 23 7.133 10.759 -0.435 1.00 1.00 O ATOM 345 CB VAL A 23 7.952 13.019 -2.580 1.00 21.32 C ATOM 346 CG1 VAL A 23 7.751 13.733 -3.939 1.00 14.01 C ATOM 347 CG2 VAL A 23 7.167 13.738 -1.442 1.00 42.44 C ATOM 0 H VAL A 23 5.557 11.595 -2.131 1.00 60.33 H new ATOM 0 HA VAL A 23 8.141 11.070 -3.515 1.00 72.11 H new ATOM 0 HB VAL A 23 9.009 13.074 -2.322 1.00 21.32 H new ATOM 0 HG11 VAL A 23 8.020 14.785 -3.841 1.00 14.01 H new ATOM 0 HG12 VAL A 23 8.384 13.265 -4.693 1.00 14.01 H new ATOM 0 HG13 VAL A 23 6.707 13.653 -4.241 1.00 14.01 H new ATOM 0 HG21 VAL A 23 7.460 14.787 -1.405 1.00 42.44 H new ATOM 0 HG22 VAL A 23 6.097 13.666 -1.637 1.00 42.44 H new ATOM 0 HG23 VAL A 23 7.395 13.264 -0.487 1.00 42.44 H new ATOM 357 N PRO A 24 9.072 9.981 -1.308 1.00 70.20 N ATOM 358 CA PRO A 24 9.520 9.344 -0.045 1.00 23.52 C ATOM 359 C PRO A 24 9.999 10.417 0.958 1.00 2.25 C ATOM 360 O PRO A 24 11.206 10.612 1.164 1.00 31.12 O ATOM 361 CB PRO A 24 10.659 8.372 -0.503 1.00 12.20 C ATOM 362 CG PRO A 24 10.556 8.319 -2.005 1.00 72.33 C ATOM 363 CD PRO A 24 10.005 9.668 -2.414 1.00 64.41 C ATOM 0 HA PRO A 24 8.733 8.806 0.484 1.00 23.52 H new ATOM 0 HB2 PRO A 24 11.637 8.736 -0.188 1.00 12.20 H new ATOM 0 HB3 PRO A 24 10.531 7.382 -0.065 1.00 12.20 H new ATOM 0 HG2 PRO A 24 11.530 8.137 -2.460 1.00 72.33 H new ATOM 0 HG3 PRO A 24 9.898 7.511 -2.326 1.00 72.33 H new ATOM 0 HD2 PRO A 24 10.792 10.417 -2.506 1.00 64.41 H new ATOM 0 HD3 PRO A 24 9.494 9.623 -3.376 1.00 64.41 H new ATOM 371 N ASN A 25 9.017 11.121 1.557 1.00 21.01 N ATOM 372 CA ASN A 25 9.248 12.294 2.415 1.00 31.41 C ATOM 373 C ASN A 25 9.731 11.839 3.808 1.00 22.25 C ATOM 374 O ASN A 25 10.929 11.884 4.092 1.00 23.02 O ATOM 375 CB ASN A 25 7.956 13.167 2.497 1.00 52.13 C ATOM 376 CG ASN A 25 8.145 14.468 3.293 1.00 53.21 C ATOM 377 OD1 ASN A 25 9.244 15.022 3.352 1.00 4.32 O ATOM 378 ND2 ASN A 25 7.087 14.977 3.906 1.00 2.41 N ATOM 0 H ASN A 25 8.030 10.885 1.455 1.00 21.01 H new ATOM 0 HA ASN A 25 10.031 12.916 1.981 1.00 31.41 H new ATOM 0 HB2 ASN A 25 7.628 13.413 1.487 1.00 52.13 H new ATOM 0 HB3 ASN A 25 7.160 12.581 2.957 1.00 52.13 H new ATOM 0 HD21 ASN A 25 7.174 15.843 4.439 1.00 2.41 H new ATOM 0 HD22 ASN A 25 6.186 14.504 3.845 1.00 2.41 H new ATOM 385 N ARG A 26 8.795 11.383 4.656 1.00 23.25 N ATOM 386 CA ARG A 26 9.104 10.842 6.000 1.00 21.31 C ATOM 387 C ARG A 26 9.066 9.303 5.949 1.00 41.53 C ATOM 388 O ARG A 26 8.088 8.717 5.459 1.00 14.14 O ATOM 389 CB ARG A 26 8.110 11.411 7.076 1.00 43.34 C ATOM 390 CG ARG A 26 8.576 12.702 7.807 1.00 2.23 C ATOM 391 CD ARG A 26 8.971 13.865 6.875 1.00 2.31 C ATOM 392 NE ARG A 26 9.379 15.049 7.644 1.00 11.13 N ATOM 393 CZ ARG A 26 9.839 16.207 7.131 1.00 24.22 C ATOM 394 NH1 ARG A 26 9.950 16.400 5.809 1.00 3.43 N ATOM 395 NH2 ARG A 26 10.182 17.185 7.958 1.00 31.40 N ATOM 0 H ARG A 26 7.800 11.377 4.434 1.00 23.25 H new ATOM 0 HA ARG A 26 10.105 11.156 6.296 1.00 21.31 H new ATOM 0 HB2 ARG A 26 7.155 11.615 6.591 1.00 43.34 H new ATOM 0 HB3 ARG A 26 7.930 10.638 7.823 1.00 43.34 H new ATOM 0 HG2 ARG A 26 7.776 13.039 8.466 1.00 2.23 H new ATOM 0 HG3 ARG A 26 9.429 12.457 8.440 1.00 2.23 H new ATOM 0 HD2 ARG A 26 9.788 13.552 6.225 1.00 2.31 H new ATOM 0 HD3 ARG A 26 8.130 14.119 6.230 1.00 2.31 H new ATOM 0 HE ARG A 26 9.307 14.989 8.660 1.00 11.13 H new ATOM 0 HH11 ARG A 26 9.683 15.659 5.161 1.00 3.43 H new ATOM 0 HH12 ARG A 26 10.302 17.288 5.451 1.00 3.43 H new ATOM 0 HH21 ARG A 26 10.096 17.054 8.966 1.00 31.40 H new ATOM 0 HH22 ARG A 26 10.532 18.068 7.586 1.00 31.40 H new ATOM 409 N GLN A 27 10.153 8.656 6.416 1.00 30.35 N ATOM 410 CA GLN A 27 10.214 7.198 6.540 1.00 64.14 C ATOM 411 C GLN A 27 9.508 6.771 7.838 1.00 64.34 C ATOM 412 O GLN A 27 9.939 7.126 8.940 1.00 13.40 O ATOM 413 CB GLN A 27 11.677 6.660 6.458 1.00 32.05 C ATOM 414 CG GLN A 27 12.686 7.269 7.461 1.00 70.50 C ATOM 415 CD GLN A 27 14.100 6.672 7.343 1.00 33.21 C ATOM 416 OE1 GLN A 27 14.276 5.498 7.006 1.00 33.05 O ATOM 417 NE2 GLN A 27 15.116 7.481 7.601 1.00 10.44 N ATOM 0 H GLN A 27 11.004 9.132 6.714 1.00 30.35 H new ATOM 0 HA GLN A 27 9.691 6.751 5.694 1.00 64.14 H new ATOM 0 HB2 GLN A 27 11.654 5.581 6.608 1.00 32.05 H new ATOM 0 HB3 GLN A 27 12.050 6.834 5.449 1.00 32.05 H new ATOM 0 HG2 GLN A 27 12.740 8.346 7.302 1.00 70.50 H new ATOM 0 HG3 GLN A 27 12.318 7.114 8.475 1.00 70.50 H new ATOM 0 HE21 GLN A 27 14.941 8.447 7.878 1.00 10.44 H new ATOM 0 HE22 GLN A 27 16.073 7.138 7.523 1.00 10.44 H new ATOM 426 N LEU A 28 8.383 6.055 7.702 1.00 5.01 N ATOM 427 CA LEU A 28 7.551 5.664 8.847 1.00 21.44 C ATOM 428 C LEU A 28 8.001 4.295 9.384 1.00 4.15 C ATOM 429 O LEU A 28 8.316 3.383 8.605 1.00 14.52 O ATOM 430 CB LEU A 28 6.043 5.643 8.453 1.00 24.01 C ATOM 431 CG LEU A 28 5.493 6.913 7.715 1.00 63.23 C ATOM 432 CD1 LEU A 28 3.958 6.852 7.588 1.00 20.44 C ATOM 433 CD2 LEU A 28 5.950 8.225 8.390 1.00 35.42 C ATOM 0 H LEU A 28 8.027 5.733 6.802 1.00 5.01 H new ATOM 0 HA LEU A 28 7.676 6.403 9.639 1.00 21.44 H new ATOM 0 HB2 LEU A 28 5.869 4.776 7.815 1.00 24.01 H new ATOM 0 HB3 LEU A 28 5.456 5.494 9.359 1.00 24.01 H new ATOM 0 HG LEU A 28 5.918 6.913 6.711 1.00 63.23 H new ATOM 0 HD11 LEU A 28 3.600 7.743 7.073 1.00 20.44 H new ATOM 0 HD12 LEU A 28 3.675 5.966 7.020 1.00 20.44 H new ATOM 0 HD13 LEU A 28 3.512 6.803 8.582 1.00 20.44 H new ATOM 0 HD21 LEU A 28 5.544 9.076 7.843 1.00 35.42 H new ATOM 0 HD22 LEU A 28 5.590 8.250 9.419 1.00 35.42 H new ATOM 0 HD23 LEU A 28 7.039 8.277 8.385 1.00 35.42 H new ATOM 445 N THR A 29 8.065 4.179 10.713 1.00 3.33 N ATOM 446 CA THR A 29 8.336 2.915 11.405 1.00 2.22 C ATOM 447 C THR A 29 7.065 2.052 11.407 1.00 42.42 C ATOM 448 O THR A 29 5.968 2.572 11.171 1.00 34.03 O ATOM 449 CB THR A 29 8.796 3.186 12.872 1.00 3.05 C ATOM 450 OG1 THR A 29 7.840 4.027 13.539 1.00 23.14 O ATOM 451 CG2 THR A 29 10.187 3.838 12.922 1.00 3.31 C ATOM 0 H THR A 29 7.929 4.967 11.346 1.00 3.33 H new ATOM 0 HA THR A 29 9.134 2.388 10.883 1.00 2.22 H new ATOM 0 HB THR A 29 8.859 2.225 13.382 1.00 3.05 H new ATOM 0 HG1 THR A 29 8.135 4.191 14.459 1.00 23.14 H new ATOM 0 HG21 THR A 29 10.471 4.010 13.960 1.00 3.31 H new ATOM 0 HG22 THR A 29 10.915 3.178 12.451 1.00 3.31 H new ATOM 0 HG23 THR A 29 10.162 4.789 12.390 1.00 3.31 H new ATOM 459 N ALA A 30 7.222 0.743 11.669 1.00 24.34 N ATOM 460 CA ALA A 30 6.084 -0.187 11.809 1.00 60.23 C ATOM 461 C ALA A 30 5.189 0.214 13.002 1.00 31.12 C ATOM 462 O ALA A 30 3.974 -0.009 12.978 1.00 20.30 O ATOM 463 CB ALA A 30 6.593 -1.634 11.938 1.00 32.44 C ATOM 0 H ALA A 30 8.133 0.301 11.789 1.00 24.34 H new ATOM 0 HA ALA A 30 5.469 -0.128 10.911 1.00 60.23 H new ATOM 0 HB1 ALA A 30 5.744 -2.310 12.041 1.00 32.44 H new ATOM 0 HB2 ALA A 30 7.163 -1.900 11.048 1.00 32.44 H new ATOM 0 HB3 ALA A 30 7.232 -1.718 12.817 1.00 32.44 H new ATOM 469 N ASP A 31 5.812 0.837 14.026 1.00 22.01 N ATOM 470 CA ASP A 31 5.108 1.392 15.198 1.00 0.11 C ATOM 471 C ASP A 31 4.225 2.590 14.798 1.00 74.34 C ATOM 472 O ASP A 31 3.045 2.643 15.152 1.00 20.40 O ATOM 473 CB ASP A 31 6.126 1.853 16.275 1.00 62.13 C ATOM 474 CG ASP A 31 7.118 0.754 16.682 1.00 73.31 C ATOM 475 OD1 ASP A 31 8.168 0.619 16.019 1.00 44.21 O ATOM 476 OD2 ASP A 31 6.848 0.007 17.648 1.00 74.14 O ATOM 0 H ASP A 31 6.823 0.969 14.061 1.00 22.01 H new ATOM 0 HA ASP A 31 4.475 0.603 15.605 1.00 0.11 H new ATOM 0 HB2 ASP A 31 6.681 2.712 15.897 1.00 62.13 H new ATOM 0 HB3 ASP A 31 5.583 2.188 17.159 1.00 62.13 H new ATOM 481 N TYR A 32 4.819 3.543 14.042 1.00 65.02 N ATOM 482 CA TYR A 32 4.130 4.784 13.633 1.00 42.52 C ATOM 483 C TYR A 32 3.005 4.468 12.634 1.00 63.42 C ATOM 484 O TYR A 32 1.928 5.061 12.716 1.00 73.22 O ATOM 485 CB TYR A 32 5.114 5.811 13.001 1.00 64.31 C ATOM 486 CG TYR A 32 4.470 7.169 12.640 1.00 73.43 C ATOM 487 CD1 TYR A 32 4.338 8.174 13.595 1.00 14.21 C ATOM 488 CD2 TYR A 32 3.980 7.438 11.353 1.00 13.12 C ATOM 489 CE1 TYR A 32 3.749 9.387 13.287 1.00 22.03 C ATOM 490 CE2 TYR A 32 3.387 8.652 11.044 1.00 14.43 C ATOM 491 CZ TYR A 32 3.275 9.620 12.014 1.00 24.15 C ATOM 492 OH TYR A 32 2.684 10.827 11.710 1.00 31.00 O ATOM 0 H TYR A 32 5.778 3.473 13.703 1.00 65.02 H new ATOM 0 HA TYR A 32 3.706 5.230 14.533 1.00 42.52 H new ATOM 0 HB2 TYR A 32 5.935 5.985 13.696 1.00 64.31 H new ATOM 0 HB3 TYR A 32 5.546 5.376 12.100 1.00 64.31 H new ATOM 0 HD1 TYR A 32 4.703 8.003 14.597 1.00 14.21 H new ATOM 0 HD2 TYR A 32 4.067 6.682 10.586 1.00 13.12 H new ATOM 0 HE1 TYR A 32 3.661 10.152 14.044 1.00 22.03 H new ATOM 0 HE2 TYR A 32 3.015 8.837 10.047 1.00 14.43 H new ATOM 0 HH TYR A 32 2.406 10.828 10.770 1.00 31.00 H new ATOM 502 N PHE A 33 3.288 3.550 11.679 1.00 54.34 N ATOM 503 CA PHE A 33 2.289 3.080 10.689 1.00 15.11 C ATOM 504 C PHE A 33 1.068 2.522 11.421 1.00 55.02 C ATOM 505 O PHE A 33 -0.057 2.949 11.160 1.00 63.34 O ATOM 506 CB PHE A 33 2.880 1.979 9.754 1.00 74.13 C ATOM 507 CG PHE A 33 1.948 1.547 8.599 1.00 61.32 C ATOM 508 CD1 PHE A 33 0.830 0.730 8.817 1.00 54.10 C ATOM 509 CD2 PHE A 33 2.174 1.984 7.296 1.00 73.34 C ATOM 510 CE1 PHE A 33 -0.016 0.378 7.784 1.00 71.41 C ATOM 511 CE2 PHE A 33 1.332 1.620 6.264 1.00 5.42 C ATOM 512 CZ PHE A 33 0.234 0.823 6.508 1.00 12.53 C ATOM 0 H PHE A 33 4.206 3.118 11.573 1.00 54.34 H new ATOM 0 HA PHE A 33 2.002 3.931 10.071 1.00 15.11 H new ATOM 0 HB2 PHE A 33 3.816 2.344 9.331 1.00 74.13 H new ATOM 0 HB3 PHE A 33 3.122 1.102 10.355 1.00 74.13 H new ATOM 0 HD1 PHE A 33 0.626 0.368 9.814 1.00 54.10 H new ATOM 0 HD2 PHE A 33 3.023 2.619 7.089 1.00 73.34 H new ATOM 0 HE1 PHE A 33 -0.875 -0.247 7.979 1.00 71.41 H new ATOM 0 HE2 PHE A 33 1.535 1.962 5.260 1.00 5.42 H new ATOM 0 HZ PHE A 33 -0.427 0.549 5.699 1.00 12.53 H new ATOM 522 N GLU A 34 1.337 1.569 12.342 1.00 24.53 N ATOM 523 CA GLU A 34 0.306 0.864 13.120 1.00 64.23 C ATOM 524 C GLU A 34 -0.551 1.862 13.921 1.00 22.34 C ATOM 525 O GLU A 34 -1.778 1.785 13.919 1.00 52.10 O ATOM 526 CB GLU A 34 1.003 -0.146 14.071 1.00 51.24 C ATOM 527 CG GLU A 34 0.059 -1.007 14.930 1.00 5.10 C ATOM 528 CD GLU A 34 -0.870 -1.912 14.105 1.00 14.25 C ATOM 529 OE1 GLU A 34 -0.369 -2.873 13.475 1.00 3.32 O ATOM 530 OE2 GLU A 34 -2.093 -1.677 14.092 1.00 1.53 O ATOM 0 H GLU A 34 2.286 1.269 12.564 1.00 24.53 H new ATOM 0 HA GLU A 34 -0.360 0.329 12.442 1.00 64.23 H new ATOM 0 HB2 GLU A 34 1.628 -0.809 13.473 1.00 51.24 H new ATOM 0 HB3 GLU A 34 1.668 0.406 14.735 1.00 51.24 H new ATOM 0 HG2 GLU A 34 0.655 -1.627 15.600 1.00 5.10 H new ATOM 0 HG3 GLU A 34 -0.547 -0.352 15.556 1.00 5.10 H new ATOM 537 N LYS A 35 0.143 2.824 14.547 1.00 3.14 N ATOM 538 CA LYS A 35 -0.461 3.877 15.375 1.00 53.32 C ATOM 539 C LYS A 35 -1.447 4.730 14.550 1.00 41.54 C ATOM 540 O LYS A 35 -2.615 4.899 14.925 1.00 21.23 O ATOM 541 CB LYS A 35 0.675 4.777 15.940 1.00 35.02 C ATOM 542 CG LYS A 35 0.201 5.915 16.851 1.00 14.12 C ATOM 543 CD LYS A 35 1.343 6.864 17.281 1.00 73.15 C ATOM 544 CE LYS A 35 0.842 7.972 18.216 1.00 32.41 C ATOM 545 NZ LYS A 35 1.923 8.931 18.580 1.00 61.22 N ATOM 0 H LYS A 35 1.159 2.893 14.490 1.00 3.14 H new ATOM 0 HA LYS A 35 -1.018 3.417 16.191 1.00 53.32 H new ATOM 0 HB2 LYS A 35 1.372 4.151 16.497 1.00 35.02 H new ATOM 0 HB3 LYS A 35 1.229 5.206 15.105 1.00 35.02 H new ATOM 0 HG2 LYS A 35 -0.566 6.491 16.334 1.00 14.12 H new ATOM 0 HG3 LYS A 35 -0.265 5.490 17.740 1.00 14.12 H new ATOM 0 HD2 LYS A 35 2.123 6.291 17.782 1.00 73.15 H new ATOM 0 HD3 LYS A 35 1.796 7.312 16.396 1.00 73.15 H new ATOM 0 HE2 LYS A 35 0.027 8.512 17.734 1.00 32.41 H new ATOM 0 HE3 LYS A 35 0.435 7.524 19.123 1.00 32.41 H new ATOM 0 HZ1 LYS A 35 1.540 9.662 19.213 1.00 61.22 H new ATOM 0 HZ2 LYS A 35 2.690 8.422 19.064 1.00 61.22 H new ATOM 0 HZ3 LYS A 35 2.294 9.379 17.718 1.00 61.22 H new ATOM 559 N THR A 36 -0.948 5.210 13.402 1.00 55.01 N ATOM 560 CA THR A 36 -1.685 6.096 12.489 1.00 64.44 C ATOM 561 C THR A 36 -2.835 5.320 11.787 1.00 60.24 C ATOM 562 O THR A 36 -3.893 5.882 11.494 1.00 74.35 O ATOM 563 CB THR A 36 -0.696 6.722 11.436 1.00 13.52 C ATOM 564 OG1 THR A 36 0.448 7.274 12.121 1.00 45.12 O ATOM 565 CG2 THR A 36 -1.335 7.841 10.599 1.00 44.42 C ATOM 0 H THR A 36 -0.007 4.990 13.077 1.00 55.01 H new ATOM 0 HA THR A 36 -2.134 6.906 13.064 1.00 64.44 H new ATOM 0 HB THR A 36 -0.412 5.916 10.759 1.00 13.52 H new ATOM 0 HG1 THR A 36 1.053 6.549 12.384 1.00 45.12 H new ATOM 0 HG21 THR A 36 -0.602 8.231 9.893 1.00 44.42 H new ATOM 0 HG22 THR A 36 -2.190 7.443 10.052 1.00 44.42 H new ATOM 0 HG23 THR A 36 -1.667 8.644 11.258 1.00 44.42 H new ATOM 573 N TRP A 37 -2.615 4.005 11.570 1.00 34.22 N ATOM 574 CA TRP A 37 -3.605 3.080 10.980 1.00 0.45 C ATOM 575 C TRP A 37 -4.831 2.962 11.905 1.00 53.52 C ATOM 576 O TRP A 37 -5.971 3.059 11.449 1.00 52.44 O ATOM 577 CB TRP A 37 -2.931 1.698 10.732 1.00 73.22 C ATOM 578 CG TRP A 37 -3.814 0.638 10.093 1.00 42.33 C ATOM 579 CD1 TRP A 37 -4.577 -0.292 10.740 1.00 11.23 C ATOM 580 CD2 TRP A 37 -4.007 0.389 8.685 1.00 23.23 C ATOM 581 NE1 TRP A 37 -5.248 -1.068 9.832 1.00 53.42 N ATOM 582 CE2 TRP A 37 -4.904 -0.685 8.568 1.00 53.34 C ATOM 583 CE3 TRP A 37 -3.508 0.967 7.517 1.00 51.41 C ATOM 584 CZ2 TRP A 37 -5.315 -1.195 7.335 1.00 52.32 C ATOM 585 CZ3 TRP A 37 -3.916 0.466 6.292 1.00 55.35 C ATOM 586 CH2 TRP A 37 -4.808 -0.606 6.209 1.00 42.13 C ATOM 0 H TRP A 37 -1.732 3.551 11.803 1.00 34.22 H new ATOM 0 HA TRP A 37 -3.955 3.465 10.022 1.00 0.45 H new ATOM 0 HB2 TRP A 37 -2.059 1.849 10.096 1.00 73.22 H new ATOM 0 HB3 TRP A 37 -2.568 1.315 11.686 1.00 73.22 H new ATOM 0 HD1 TRP A 37 -4.642 -0.400 11.813 1.00 11.23 H new ATOM 0 HE1 TRP A 37 -5.902 -1.815 10.064 1.00 53.42 H new ATOM 0 HE3 TRP A 37 -2.814 1.793 7.568 1.00 51.41 H new ATOM 0 HZ2 TRP A 37 -6.006 -2.022 7.272 1.00 52.32 H new ATOM 0 HZ3 TRP A 37 -3.538 0.912 5.384 1.00 55.35 H new ATOM 0 HH2 TRP A 37 -5.103 -0.977 5.238 1.00 42.13 H new ATOM 597 N LEU A 38 -4.567 2.809 13.215 1.00 44.12 N ATOM 598 CA LEU A 38 -5.622 2.730 14.245 1.00 51.31 C ATOM 599 C LEU A 38 -6.303 4.103 14.430 1.00 60.01 C ATOM 600 O LEU A 38 -7.489 4.175 14.777 1.00 71.24 O ATOM 601 CB LEU A 38 -5.028 2.238 15.590 1.00 45.51 C ATOM 602 CG LEU A 38 -4.327 0.845 15.553 1.00 21.35 C ATOM 603 CD1 LEU A 38 -3.636 0.530 16.893 1.00 23.41 C ATOM 604 CD2 LEU A 38 -5.309 -0.269 15.137 1.00 21.33 C ATOM 0 H LEU A 38 -3.621 2.737 13.590 1.00 44.12 H new ATOM 0 HA LEU A 38 -6.374 2.014 13.913 1.00 51.31 H new ATOM 0 HB2 LEU A 38 -4.307 2.977 15.939 1.00 45.51 H new ATOM 0 HB3 LEU A 38 -5.830 2.201 16.328 1.00 45.51 H new ATOM 0 HG LEU A 38 -3.549 0.886 14.791 1.00 21.35 H new ATOM 0 HD11 LEU A 38 -3.157 -0.447 16.834 1.00 23.41 H new ATOM 0 HD12 LEU A 38 -2.884 1.291 17.102 1.00 23.41 H new ATOM 0 HD13 LEU A 38 -4.377 0.523 17.692 1.00 23.41 H new ATOM 0 HD21 LEU A 38 -4.788 -1.226 15.121 1.00 21.33 H new ATOM 0 HD22 LEU A 38 -6.131 -0.315 15.851 1.00 21.33 H new ATOM 0 HD23 LEU A 38 -5.703 -0.054 14.144 1.00 21.33 H new ATOM 616 N SER A 39 -5.542 5.187 14.175 1.00 12.43 N ATOM 617 CA SER A 39 -6.048 6.570 14.265 1.00 32.11 C ATOM 618 C SER A 39 -7.002 6.901 13.100 1.00 53.21 C ATOM 619 O SER A 39 -7.895 7.739 13.248 1.00 13.33 O ATOM 620 CB SER A 39 -4.861 7.567 14.264 1.00 4.20 C ATOM 621 OG SER A 39 -3.974 7.303 15.340 1.00 11.53 O ATOM 0 H SER A 39 -4.561 5.127 13.901 1.00 12.43 H new ATOM 0 HA SER A 39 -6.606 6.661 15.197 1.00 32.11 H new ATOM 0 HB2 SER A 39 -4.323 7.496 13.319 1.00 4.20 H new ATOM 0 HB3 SER A 39 -5.238 8.587 14.341 1.00 4.20 H new ATOM 0 HG SER A 39 -3.507 6.456 15.179 1.00 11.53 H new ATOM 627 N LEU A 40 -6.837 6.209 11.957 1.00 3.42 N ATOM 628 CA LEU A 40 -7.577 6.506 10.715 1.00 53.22 C ATOM 629 C LEU A 40 -8.586 5.387 10.411 1.00 12.14 C ATOM 630 O LEU A 40 -8.422 4.253 10.879 1.00 30.03 O ATOM 631 CB LEU A 40 -6.569 6.675 9.543 1.00 52.13 C ATOM 632 CG LEU A 40 -5.612 7.899 9.625 1.00 74.13 C ATOM 633 CD1 LEU A 40 -4.561 7.858 8.500 1.00 1.44 C ATOM 634 CD2 LEU A 40 -6.420 9.205 9.590 1.00 3.54 C ATOM 0 H LEU A 40 -6.187 5.428 11.868 1.00 3.42 H new ATOM 0 HA LEU A 40 -8.135 7.434 10.839 1.00 53.22 H new ATOM 0 HB2 LEU A 40 -5.963 5.771 9.480 1.00 52.13 H new ATOM 0 HB3 LEU A 40 -7.134 6.745 8.614 1.00 52.13 H new ATOM 0 HG LEU A 40 -5.073 7.856 10.572 1.00 74.13 H new ATOM 0 HD11 LEU A 40 -3.906 8.725 8.582 1.00 1.44 H new ATOM 0 HD12 LEU A 40 -3.969 6.947 8.588 1.00 1.44 H new ATOM 0 HD13 LEU A 40 -5.063 7.873 7.533 1.00 1.44 H new ATOM 0 HD21 LEU A 40 -5.740 10.055 9.648 1.00 3.54 H new ATOM 0 HD22 LEU A 40 -6.988 9.257 8.661 1.00 3.54 H new ATOM 0 HD23 LEU A 40 -7.106 9.231 10.436 1.00 3.54 H new ATOM 646 N LYS A 41 -9.626 5.708 9.629 1.00 51.33 N ATOM 647 CA LYS A 41 -10.678 4.743 9.234 1.00 62.43 C ATOM 648 C LYS A 41 -10.430 4.252 7.797 1.00 52.43 C ATOM 649 O LYS A 41 -9.890 5.007 6.974 1.00 23.31 O ATOM 650 CB LYS A 41 -12.083 5.395 9.354 1.00 2.34 C ATOM 651 CG LYS A 41 -12.476 5.786 10.797 1.00 40.34 C ATOM 652 CD LYS A 41 -13.853 6.488 10.884 1.00 12.43 C ATOM 653 CE LYS A 41 -14.299 6.747 12.332 1.00 42.13 C ATOM 654 NZ LYS A 41 -15.628 7.415 12.395 1.00 41.41 N ATOM 0 H LYS A 41 -9.768 6.644 9.249 1.00 51.33 H new ATOM 0 HA LYS A 41 -10.640 3.886 9.906 1.00 62.43 H new ATOM 0 HB2 LYS A 41 -12.113 6.286 8.727 1.00 2.34 H new ATOM 0 HB3 LYS A 41 -12.828 4.703 8.961 1.00 2.34 H new ATOM 0 HG2 LYS A 41 -12.492 4.890 11.418 1.00 40.34 H new ATOM 0 HG3 LYS A 41 -11.712 6.446 11.209 1.00 40.34 H new ATOM 0 HD2 LYS A 41 -13.807 7.436 10.348 1.00 12.43 H new ATOM 0 HD3 LYS A 41 -14.601 5.874 10.383 1.00 12.43 H new ATOM 0 HE2 LYS A 41 -14.342 5.802 12.873 1.00 42.13 H new ATOM 0 HE3 LYS A 41 -13.557 7.368 12.834 1.00 42.13 H new ATOM 0 HZ1 LYS A 41 -15.891 7.571 13.389 1.00 41.41 H new ATOM 0 HZ2 LYS A 41 -15.581 8.329 11.901 1.00 41.41 H new ATOM 0 HZ3 LYS A 41 -16.342 6.812 11.939 1.00 41.41 H new ATOM 668 N VAL A 42 -10.827 2.991 7.504 1.00 12.22 N ATOM 669 CA VAL A 42 -10.686 2.378 6.170 1.00 71.35 C ATOM 670 C VAL A 42 -11.476 3.199 5.131 1.00 60.32 C ATOM 671 O VAL A 42 -12.703 3.340 5.235 1.00 0.41 O ATOM 672 CB VAL A 42 -11.172 0.873 6.167 1.00 12.15 C ATOM 673 CG1 VAL A 42 -11.039 0.221 4.768 1.00 24.35 C ATOM 674 CG2 VAL A 42 -10.412 0.046 7.234 1.00 62.33 C ATOM 0 H VAL A 42 -11.255 2.371 8.192 1.00 12.22 H new ATOM 0 HA VAL A 42 -9.629 2.382 5.906 1.00 71.35 H new ATOM 0 HB VAL A 42 -12.232 0.877 6.422 1.00 12.15 H new ATOM 0 HG11 VAL A 42 -11.384 -0.812 4.814 1.00 24.35 H new ATOM 0 HG12 VAL A 42 -11.644 0.774 4.050 1.00 24.35 H new ATOM 0 HG13 VAL A 42 -9.995 0.241 4.455 1.00 24.35 H new ATOM 0 HG21 VAL A 42 -10.763 -0.986 7.213 1.00 62.33 H new ATOM 0 HG22 VAL A 42 -9.344 0.070 7.020 1.00 62.33 H new ATOM 0 HG23 VAL A 42 -10.594 0.471 8.221 1.00 62.33 H new ATOM 684 N ALA A 43 -10.748 3.748 4.150 1.00 20.22 N ATOM 685 CA ALA A 43 -11.316 4.605 3.102 1.00 43.12 C ATOM 686 C ALA A 43 -11.871 3.722 1.991 1.00 23.11 C ATOM 687 O ALA A 43 -12.973 3.938 1.475 1.00 43.31 O ATOM 688 CB ALA A 43 -10.226 5.538 2.559 1.00 54.44 C ATOM 0 H ALA A 43 -9.741 3.609 4.061 1.00 20.22 H new ATOM 0 HA ALA A 43 -12.122 5.216 3.508 1.00 43.12 H new ATOM 0 HB1 ALA A 43 -10.647 6.175 1.781 1.00 54.44 H new ATOM 0 HB2 ALA A 43 -9.843 6.159 3.368 1.00 54.44 H new ATOM 0 HB3 ALA A 43 -9.413 4.944 2.142 1.00 54.44 H new ATOM 694 N HIS A 44 -11.067 2.711 1.657 1.00 71.43 N ATOM 695 CA HIS A 44 -11.340 1.763 0.586 1.00 54.42 C ATOM 696 C HIS A 44 -10.712 0.403 0.933 1.00 3.42 C ATOM 697 O HIS A 44 -9.704 0.336 1.648 1.00 42.34 O ATOM 698 CB HIS A 44 -10.750 2.339 -0.724 1.00 24.41 C ATOM 699 CG HIS A 44 -10.905 1.478 -1.959 1.00 62.44 C ATOM 700 ND1 HIS A 44 -11.978 1.623 -2.796 1.00 62.31 N ATOM 701 CD2 HIS A 44 -10.049 0.572 -2.506 1.00 35.44 C ATOM 702 CE1 HIS A 44 -11.761 0.827 -3.818 1.00 14.45 C ATOM 703 NE2 HIS A 44 -10.606 0.171 -3.689 1.00 50.34 N ATOM 0 H HIS A 44 -10.187 2.528 2.139 1.00 71.43 H new ATOM 0 HA HIS A 44 -12.412 1.611 0.460 1.00 54.42 H new ATOM 0 HB2 HIS A 44 -11.220 3.303 -0.917 1.00 24.41 H new ATOM 0 HB3 HIS A 44 -9.688 2.527 -0.568 1.00 24.41 H new ATOM 0 HD1 HIS A 44 -12.786 2.229 -2.654 1.00 62.31 H new ATOM 0 HD2 HIS A 44 -9.112 0.235 -2.087 1.00 35.44 H new ATOM 0 HE1 HIS A 44 -12.432 0.717 -4.657 1.00 14.45 H new ATOM 711 N GLN A 45 -11.333 -0.668 0.433 1.00 34.11 N ATOM 712 CA GLN A 45 -10.779 -2.016 0.474 1.00 34.35 C ATOM 713 C GLN A 45 -11.340 -2.785 -0.731 1.00 32.11 C ATOM 714 O GLN A 45 -12.562 -2.928 -0.871 1.00 3.33 O ATOM 715 CB GLN A 45 -11.123 -2.715 1.817 1.00 72.32 C ATOM 716 CG GLN A 45 -10.406 -4.062 2.052 1.00 41.34 C ATOM 717 CD GLN A 45 -10.740 -4.687 3.412 1.00 71.45 C ATOM 718 OE1 GLN A 45 -11.854 -4.549 3.918 1.00 75.11 O ATOM 719 NE2 GLN A 45 -9.769 -5.330 4.035 1.00 71.05 N ATOM 0 H GLN A 45 -12.247 -0.619 -0.017 1.00 34.11 H new ATOM 0 HA GLN A 45 -9.691 -1.986 0.415 1.00 34.35 H new ATOM 0 HB2 GLN A 45 -10.873 -2.040 2.635 1.00 72.32 H new ATOM 0 HB3 GLN A 45 -12.199 -2.881 1.858 1.00 72.32 H new ATOM 0 HG2 GLN A 45 -10.683 -4.758 1.260 1.00 41.34 H new ATOM 0 HG3 GLN A 45 -9.329 -3.911 1.982 1.00 41.34 H new ATOM 0 HE21 GLN A 45 -8.856 -5.429 3.591 1.00 71.05 H new ATOM 0 HE22 GLN A 45 -9.932 -5.728 4.960 1.00 71.05 H new ATOM 728 N GLN A 46 -10.442 -3.258 -1.596 1.00 42.34 N ATOM 729 CA GLN A 46 -10.788 -3.879 -2.875 1.00 1.32 C ATOM 730 C GLN A 46 -9.937 -5.133 -3.052 1.00 21.11 C ATOM 731 O GLN A 46 -8.712 -5.086 -2.895 1.00 32.11 O ATOM 732 CB GLN A 46 -10.514 -2.886 -4.027 1.00 14.22 C ATOM 733 CG GLN A 46 -10.878 -3.385 -5.439 1.00 31.12 C ATOM 734 CD GLN A 46 -10.501 -2.395 -6.547 1.00 23.41 C ATOM 735 OE1 GLN A 46 -9.563 -1.609 -6.409 1.00 11.33 O ATOM 736 NE2 GLN A 46 -11.212 -2.442 -7.658 1.00 64.11 N ATOM 0 H GLN A 46 -9.437 -3.220 -1.425 1.00 42.34 H new ATOM 0 HA GLN A 46 -11.845 -4.146 -2.889 1.00 1.32 H new ATOM 0 HB2 GLN A 46 -11.069 -1.969 -3.831 1.00 14.22 H new ATOM 0 HB3 GLN A 46 -9.455 -2.627 -4.015 1.00 14.22 H new ATOM 0 HG2 GLN A 46 -10.375 -4.334 -5.623 1.00 31.12 H new ATOM 0 HG3 GLN A 46 -11.950 -3.579 -5.483 1.00 31.12 H new ATOM 0 HE21 GLN A 46 -11.983 -3.104 -7.742 1.00 64.11 H new ATOM 0 HE22 GLN A 46 -10.990 -1.816 -8.432 1.00 64.11 H new ATOM 745 N VAL A 47 -10.591 -6.242 -3.375 1.00 5.52 N ATOM 746 CA VAL A 47 -9.940 -7.535 -3.546 1.00 22.12 C ATOM 747 C VAL A 47 -9.672 -7.787 -5.039 1.00 32.40 C ATOM 748 O VAL A 47 -10.595 -7.718 -5.863 1.00 33.31 O ATOM 749 CB VAL A 47 -10.833 -8.674 -2.934 1.00 53.03 C ATOM 750 CG1 VAL A 47 -10.151 -10.046 -3.060 1.00 74.51 C ATOM 751 CG2 VAL A 47 -11.198 -8.356 -1.460 1.00 3.30 C ATOM 0 H VAL A 47 -11.599 -6.269 -3.527 1.00 5.52 H new ATOM 0 HA VAL A 47 -8.986 -7.533 -3.019 1.00 22.12 H new ATOM 0 HB VAL A 47 -11.760 -8.719 -3.505 1.00 53.03 H new ATOM 0 HG11 VAL A 47 -10.794 -10.813 -2.628 1.00 74.51 H new ATOM 0 HG12 VAL A 47 -9.976 -10.270 -4.112 1.00 74.51 H new ATOM 0 HG13 VAL A 47 -9.199 -10.029 -2.530 1.00 74.51 H new ATOM 0 HG21 VAL A 47 -11.816 -9.158 -1.057 1.00 3.30 H new ATOM 0 HG22 VAL A 47 -10.286 -8.270 -0.870 1.00 3.30 H new ATOM 0 HG23 VAL A 47 -11.749 -7.416 -1.416 1.00 3.30 H new ATOM 761 N LEU A 48 -8.405 -8.065 -5.368 1.00 33.11 N ATOM 762 CA LEU A 48 -7.951 -8.385 -6.730 1.00 31.14 C ATOM 763 C LEU A 48 -7.323 -9.800 -6.718 1.00 0.44 C ATOM 764 O LEU A 48 -6.882 -10.259 -5.665 1.00 72.54 O ATOM 765 CB LEU A 48 -6.907 -7.345 -7.246 1.00 63.52 C ATOM 766 CG LEU A 48 -7.458 -5.932 -7.647 1.00 63.04 C ATOM 767 CD1 LEU A 48 -7.738 -5.037 -6.431 1.00 75.33 C ATOM 768 CD2 LEU A 48 -6.519 -5.242 -8.648 1.00 1.43 C ATOM 0 H LEU A 48 -7.650 -8.074 -4.682 1.00 33.11 H new ATOM 0 HA LEU A 48 -8.807 -8.351 -7.404 1.00 31.14 H new ATOM 0 HB2 LEU A 48 -6.152 -7.208 -6.472 1.00 63.52 H new ATOM 0 HB3 LEU A 48 -6.402 -7.772 -8.113 1.00 63.52 H new ATOM 0 HG LEU A 48 -8.419 -6.094 -8.135 1.00 63.04 H new ATOM 0 HD11 LEU A 48 -8.117 -4.072 -6.769 1.00 75.33 H new ATOM 0 HD12 LEU A 48 -8.480 -5.515 -5.791 1.00 75.33 H new ATOM 0 HD13 LEU A 48 -6.816 -4.888 -5.869 1.00 75.33 H new ATOM 0 HD21 LEU A 48 -6.922 -4.264 -8.911 1.00 1.43 H new ATOM 0 HD22 LEU A 48 -5.534 -5.119 -8.198 1.00 1.43 H new ATOM 0 HD23 LEU A 48 -6.433 -5.853 -9.547 1.00 1.43 H new ATOM 780 N PRO A 49 -7.320 -10.538 -7.866 1.00 65.10 N ATOM 781 CA PRO A 49 -6.565 -11.811 -8.000 1.00 51.03 C ATOM 782 C PRO A 49 -5.053 -11.555 -8.238 1.00 3.01 C ATOM 783 O PRO A 49 -4.632 -10.396 -8.362 1.00 21.25 O ATOM 784 CB PRO A 49 -7.248 -12.468 -9.222 1.00 71.42 C ATOM 785 CG PRO A 49 -7.694 -11.314 -10.073 1.00 32.45 C ATOM 786 CD PRO A 49 -8.054 -10.197 -9.116 1.00 43.31 C ATOM 0 HA PRO A 49 -6.591 -12.435 -7.107 1.00 51.03 H new ATOM 0 HB2 PRO A 49 -6.557 -13.115 -9.762 1.00 71.42 H new ATOM 0 HB3 PRO A 49 -8.093 -13.087 -8.919 1.00 71.42 H new ATOM 0 HG2 PRO A 49 -6.901 -11.003 -10.754 1.00 32.45 H new ATOM 0 HG3 PRO A 49 -8.551 -11.592 -10.687 1.00 32.45 H new ATOM 0 HD2 PRO A 49 -7.749 -9.225 -9.505 1.00 43.31 H new ATOM 0 HD3 PRO A 49 -9.130 -10.149 -8.946 1.00 43.31 H new ATOM 794 N TRP A 50 -4.245 -12.635 -8.291 1.00 40.50 N ATOM 795 CA TRP A 50 -2.806 -12.553 -8.631 1.00 23.42 C ATOM 796 C TRP A 50 -2.479 -13.599 -9.716 1.00 60.13 C ATOM 797 O TRP A 50 -2.636 -14.801 -9.479 1.00 34.11 O ATOM 798 CB TRP A 50 -1.896 -12.758 -7.380 1.00 12.21 C ATOM 799 CG TRP A 50 -0.418 -12.595 -7.714 1.00 41.11 C ATOM 800 CD1 TRP A 50 0.449 -13.567 -8.126 1.00 5.14 C ATOM 801 CD2 TRP A 50 0.345 -11.377 -7.700 1.00 23.44 C ATOM 802 NE1 TRP A 50 1.668 -13.026 -8.419 1.00 13.24 N ATOM 803 CE2 TRP A 50 1.640 -11.690 -8.150 1.00 3.42 C ATOM 804 CE3 TRP A 50 0.056 -10.053 -7.363 1.00 24.43 C ATOM 805 CZ2 TRP A 50 2.642 -10.736 -8.276 1.00 20.22 C ATOM 806 CZ3 TRP A 50 1.056 -9.104 -7.483 1.00 14.35 C ATOM 807 CH2 TRP A 50 2.332 -9.447 -7.935 1.00 13.32 C ATOM 0 H TRP A 50 -4.568 -13.584 -8.101 1.00 40.50 H new ATOM 0 HA TRP A 50 -2.602 -11.552 -9.010 1.00 23.42 H new ATOM 0 HB2 TRP A 50 -2.174 -12.040 -6.608 1.00 12.21 H new ATOM 0 HB3 TRP A 50 -2.067 -13.752 -6.967 1.00 12.21 H new ATOM 0 HD1 TRP A 50 0.205 -14.616 -8.208 1.00 5.14 H new ATOM 0 HE1 TRP A 50 2.471 -13.540 -8.781 1.00 13.24 H new ATOM 0 HE3 TRP A 50 -0.928 -9.775 -7.016 1.00 24.43 H new ATOM 0 HZ2 TRP A 50 3.628 -11.001 -8.629 1.00 20.22 H new ATOM 0 HZ3 TRP A 50 0.845 -8.077 -7.222 1.00 14.35 H new ATOM 0 HH2 TRP A 50 3.089 -8.681 -8.017 1.00 13.32 H new ATOM 818 N ARG A 51 -2.023 -13.145 -10.900 1.00 12.52 N ATOM 819 CA ARG A 51 -1.648 -14.045 -12.011 1.00 5.52 C ATOM 820 C ARG A 51 -0.216 -14.582 -11.786 1.00 73.34 C ATOM 821 O ARG A 51 0.755 -13.818 -11.806 1.00 42.14 O ATOM 822 CB ARG A 51 -1.738 -13.346 -13.403 1.00 40.11 C ATOM 823 CG ARG A 51 -3.155 -12.919 -13.873 1.00 54.41 C ATOM 824 CD ARG A 51 -3.687 -11.683 -13.133 1.00 63.10 C ATOM 825 NE ARG A 51 -5.016 -11.265 -13.592 1.00 31.23 N ATOM 826 CZ ARG A 51 -5.774 -10.332 -12.984 1.00 32.41 C ATOM 827 NH1 ARG A 51 -5.343 -9.711 -11.879 1.00 52.33 N ATOM 828 NH2 ARG A 51 -6.957 -10.031 -13.485 1.00 24.04 N ATOM 0 H ARG A 51 -1.905 -12.155 -11.113 1.00 12.52 H new ATOM 0 HA ARG A 51 -2.362 -14.869 -12.017 1.00 5.52 H new ATOM 0 HB2 ARG A 51 -1.104 -12.460 -13.381 1.00 40.11 H new ATOM 0 HB3 ARG A 51 -1.319 -14.019 -14.151 1.00 40.11 H new ATOM 0 HG2 ARG A 51 -3.130 -12.712 -14.943 1.00 54.41 H new ATOM 0 HG3 ARG A 51 -3.846 -13.749 -13.725 1.00 54.41 H new ATOM 0 HD2 ARG A 51 -3.729 -11.896 -12.065 1.00 63.10 H new ATOM 0 HD3 ARG A 51 -2.987 -10.858 -13.266 1.00 63.10 H new ATOM 0 HE ARG A 51 -5.392 -11.711 -14.429 1.00 31.23 H new ATOM 0 HH11 ARG A 51 -4.430 -9.942 -11.487 1.00 52.33 H new ATOM 0 HH12 ARG A 51 -5.927 -9.007 -11.429 1.00 52.33 H new ATOM 0 HH21 ARG A 51 -7.290 -10.503 -14.325 1.00 24.04 H new ATOM 0 HH22 ARG A 51 -7.538 -9.326 -13.032 1.00 24.04 H new ATOM 842 N GLY A 52 -0.113 -15.902 -11.548 1.00 70.34 N ATOM 843 CA GLY A 52 1.171 -16.584 -11.401 1.00 44.13 C ATOM 844 C GLY A 52 1.668 -16.624 -9.967 1.00 63.51 C ATOM 845 O GLY A 52 0.863 -16.582 -9.030 1.00 3.04 O ATOM 0 H GLY A 52 -0.920 -16.519 -11.454 1.00 70.34 H new ATOM 0 HA2 GLY A 52 1.078 -17.604 -11.775 1.00 44.13 H new ATOM 0 HA3 GLY A 52 1.914 -16.083 -12.022 1.00 44.13 H new ATOM 849 N GLU A 53 2.992 -16.738 -9.804 1.00 42.20 N ATOM 850 CA GLU A 53 3.665 -16.768 -8.493 1.00 33.35 C ATOM 851 C GLU A 53 4.015 -15.341 -8.052 1.00 55.31 C ATOM 852 O GLU A 53 4.416 -14.510 -8.878 1.00 35.22 O ATOM 853 CB GLU A 53 4.941 -17.651 -8.579 1.00 22.20 C ATOM 854 CG GLU A 53 4.661 -19.115 -8.990 1.00 42.42 C ATOM 855 CD GLU A 53 5.942 -19.945 -9.160 1.00 74.41 C ATOM 856 OE1 GLU A 53 6.570 -19.868 -10.232 1.00 50.33 O ATOM 857 OE2 GLU A 53 6.342 -20.670 -8.221 1.00 42.43 O ATOM 0 H GLU A 53 3.638 -16.813 -10.589 1.00 42.20 H new ATOM 0 HA GLU A 53 2.995 -17.200 -7.750 1.00 33.35 H new ATOM 0 HB2 GLU A 53 5.631 -17.207 -9.297 1.00 22.20 H new ATOM 0 HB3 GLU A 53 5.442 -17.645 -7.611 1.00 22.20 H new ATOM 0 HG2 GLU A 53 4.028 -19.584 -8.236 1.00 42.42 H new ATOM 0 HG3 GLU A 53 4.102 -19.124 -9.926 1.00 42.42 H new ATOM 864 N PHE A 54 3.833 -15.060 -6.755 1.00 45.15 N ATOM 865 CA PHE A 54 4.084 -13.730 -6.171 1.00 10.34 C ATOM 866 C PHE A 54 5.596 -13.470 -5.973 1.00 52.31 C ATOM 867 O PHE A 54 6.370 -14.396 -5.709 1.00 53.45 O ATOM 868 CB PHE A 54 3.312 -13.570 -4.834 1.00 52.31 C ATOM 869 CG PHE A 54 3.491 -12.198 -4.193 1.00 10.14 C ATOM 870 CD1 PHE A 54 2.936 -11.067 -4.780 1.00 62.41 C ATOM 871 CD2 PHE A 54 4.266 -12.029 -3.053 1.00 12.51 C ATOM 872 CE1 PHE A 54 3.141 -9.818 -4.246 1.00 31.22 C ATOM 873 CE2 PHE A 54 4.476 -10.784 -2.530 1.00 34.03 C ATOM 874 CZ PHE A 54 3.918 -9.680 -3.126 1.00 50.32 C ATOM 0 H PHE A 54 3.507 -15.749 -6.077 1.00 45.15 H new ATOM 0 HA PHE A 54 3.717 -12.982 -6.874 1.00 10.34 H new ATOM 0 HB2 PHE A 54 2.251 -13.744 -5.012 1.00 52.31 H new ATOM 0 HB3 PHE A 54 3.648 -14.336 -4.135 1.00 52.31 H new ATOM 0 HD1 PHE A 54 2.334 -11.172 -5.670 1.00 62.41 H new ATOM 0 HD2 PHE A 54 4.707 -12.891 -2.575 1.00 12.51 H new ATOM 0 HE1 PHE A 54 2.692 -8.950 -4.706 1.00 31.22 H new ATOM 0 HE2 PHE A 54 5.083 -10.668 -1.644 1.00 34.03 H new ATOM 0 HZ PHE A 54 4.092 -8.699 -2.710 1.00 50.32 H new ATOM 884 N HIS A 55 6.004 -12.188 -6.120 1.00 5.32 N ATOM 885 CA HIS A 55 7.405 -11.751 -5.960 1.00 71.44 C ATOM 886 C HIS A 55 7.466 -10.464 -5.095 1.00 45.11 C ATOM 887 O HIS A 55 7.191 -9.370 -5.605 1.00 33.51 O ATOM 888 CB HIS A 55 8.057 -11.515 -7.352 1.00 71.13 C ATOM 889 CG HIS A 55 8.054 -12.728 -8.252 1.00 24.32 C ATOM 890 ND1 HIS A 55 8.972 -13.748 -8.131 1.00 70.13 N ATOM 891 CD2 HIS A 55 7.220 -13.096 -9.262 1.00 72.22 C ATOM 892 CE1 HIS A 55 8.708 -14.684 -9.022 1.00 2.32 C ATOM 893 NE2 HIS A 55 7.653 -14.314 -9.717 1.00 15.04 N ATOM 0 H HIS A 55 5.366 -11.427 -6.354 1.00 5.32 H new ATOM 0 HA HIS A 55 7.966 -12.534 -5.450 1.00 71.44 H new ATOM 0 HB2 HIS A 55 7.531 -10.703 -7.854 1.00 71.13 H new ATOM 0 HB3 HIS A 55 9.086 -11.187 -7.207 1.00 71.13 H new ATOM 0 HD1 HIS A 55 9.737 -13.775 -7.457 1.00 70.13 H new ATOM 0 HD2 HIS A 55 6.376 -12.534 -9.635 1.00 72.22 H new ATOM 0 HE1 HIS A 55 9.264 -15.600 -9.158 1.00 2.32 H new ATOM 902 N PRO A 56 7.787 -10.577 -3.760 1.00 23.10 N ATOM 903 CA PRO A 56 7.913 -9.400 -2.851 1.00 61.33 C ATOM 904 C PRO A 56 9.139 -8.515 -3.163 1.00 72.14 C ATOM 905 O PRO A 56 9.102 -7.303 -2.936 1.00 35.55 O ATOM 906 CB PRO A 56 8.015 -10.046 -1.447 1.00 13.43 C ATOM 907 CG PRO A 56 8.580 -11.411 -1.698 1.00 21.32 C ATOM 908 CD PRO A 56 7.995 -11.858 -3.016 1.00 42.31 C ATOM 0 HA PRO A 56 7.072 -8.714 -2.954 1.00 61.33 H new ATOM 0 HB2 PRO A 56 8.661 -9.465 -0.789 1.00 13.43 H new ATOM 0 HB3 PRO A 56 7.039 -10.104 -0.965 1.00 13.43 H new ATOM 0 HG2 PRO A 56 9.669 -11.382 -1.742 1.00 21.32 H new ATOM 0 HG3 PRO A 56 8.312 -12.099 -0.897 1.00 21.32 H new ATOM 0 HD2 PRO A 56 8.671 -12.526 -3.549 1.00 42.31 H new ATOM 0 HD3 PRO A 56 7.058 -12.398 -2.877 1.00 42.31 H new ATOM 916 N ASP A 57 10.213 -9.145 -3.679 1.00 73.32 N ATOM 917 CA ASP A 57 11.443 -8.437 -4.107 1.00 52.30 C ATOM 918 C ASP A 57 11.127 -7.493 -5.272 1.00 53.42 C ATOM 919 O ASP A 57 11.440 -6.302 -5.221 1.00 12.34 O ATOM 920 CB ASP A 57 12.540 -9.444 -4.559 1.00 1.11 C ATOM 921 CG ASP A 57 12.967 -10.420 -3.458 1.00 24.14 C ATOM 922 OD1 ASP A 57 12.169 -11.317 -3.117 1.00 34.44 O ATOM 923 OD2 ASP A 57 14.086 -10.298 -2.918 1.00 23.45 O ATOM 0 H ASP A 57 10.256 -10.155 -3.812 1.00 73.32 H new ATOM 0 HA ASP A 57 11.813 -7.868 -3.254 1.00 52.30 H new ATOM 0 HB2 ASP A 57 12.171 -10.012 -5.413 1.00 1.11 H new ATOM 0 HB3 ASP A 57 13.414 -8.888 -4.899 1.00 1.11 H new ATOM 928 N THR A 58 10.445 -8.051 -6.287 1.00 0.50 N ATOM 929 CA THR A 58 10.066 -7.324 -7.499 1.00 23.10 C ATOM 930 C THR A 58 9.025 -6.241 -7.153 1.00 73.03 C ATOM 931 O THR A 58 9.021 -5.156 -7.753 1.00 54.32 O ATOM 932 CB THR A 58 9.502 -8.309 -8.574 1.00 3.35 C ATOM 933 OG1 THR A 58 10.389 -9.438 -8.713 1.00 24.04 O ATOM 934 CG2 THR A 58 9.314 -7.642 -9.951 1.00 33.34 C ATOM 0 H THR A 58 10.142 -9.025 -6.284 1.00 0.50 H new ATOM 0 HA THR A 58 10.950 -6.841 -7.915 1.00 23.10 H new ATOM 0 HB THR A 58 8.520 -8.631 -8.227 1.00 3.35 H new ATOM 0 HG1 THR A 58 10.031 -10.054 -9.386 1.00 24.04 H new ATOM 0 HG21 THR A 58 8.920 -8.372 -10.658 1.00 33.34 H new ATOM 0 HG22 THR A 58 8.615 -6.811 -9.860 1.00 33.34 H new ATOM 0 HG23 THR A 58 10.274 -7.271 -10.310 1.00 33.34 H new ATOM 942 N LEU A 59 8.173 -6.547 -6.137 1.00 71.23 N ATOM 943 CA LEU A 59 7.172 -5.606 -5.626 1.00 33.24 C ATOM 944 C LEU A 59 7.857 -4.363 -5.037 1.00 51.33 C ATOM 945 O LEU A 59 7.617 -3.262 -5.520 1.00 42.42 O ATOM 946 CB LEU A 59 6.224 -6.275 -4.592 1.00 54.04 C ATOM 947 CG LEU A 59 5.045 -5.382 -4.081 1.00 72.04 C ATOM 948 CD1 LEU A 59 4.150 -4.866 -5.236 1.00 74.11 C ATOM 949 CD2 LEU A 59 4.207 -6.122 -3.030 1.00 23.40 C ATOM 0 H LEU A 59 8.171 -7.449 -5.661 1.00 71.23 H new ATOM 0 HA LEU A 59 6.551 -5.290 -6.464 1.00 33.24 H new ATOM 0 HB2 LEU A 59 5.806 -7.177 -5.039 1.00 54.04 H new ATOM 0 HB3 LEU A 59 6.816 -6.590 -3.733 1.00 54.04 H new ATOM 0 HG LEU A 59 5.495 -4.507 -3.611 1.00 72.04 H new ATOM 0 HD11 LEU A 59 3.347 -4.252 -4.828 1.00 74.11 H new ATOM 0 HD12 LEU A 59 4.750 -4.269 -5.923 1.00 74.11 H new ATOM 0 HD13 LEU A 59 3.722 -5.714 -5.771 1.00 74.11 H new ATOM 0 HD21 LEU A 59 3.395 -5.478 -2.693 1.00 23.40 H new ATOM 0 HD22 LEU A 59 3.792 -7.029 -3.469 1.00 23.40 H new ATOM 0 HD23 LEU A 59 4.838 -6.385 -2.181 1.00 23.40 H new ATOM 961 N GLN A 60 8.794 -4.573 -4.088 1.00 3.15 N ATOM 962 CA GLN A 60 9.485 -3.470 -3.379 1.00 35.00 C ATOM 963 C GLN A 60 10.294 -2.574 -4.344 1.00 22.53 C ATOM 964 O GLN A 60 10.260 -1.344 -4.226 1.00 24.53 O ATOM 965 CB GLN A 60 10.406 -4.013 -2.246 1.00 72.34 C ATOM 966 CG GLN A 60 9.650 -4.646 -1.056 1.00 62.22 C ATOM 967 CD GLN A 60 10.549 -5.006 0.140 1.00 11.43 C ATOM 968 OE1 GLN A 60 11.558 -4.356 0.390 1.00 34.34 O ATOM 969 NE2 GLN A 60 10.192 -6.032 0.896 1.00 50.22 N ATOM 0 H GLN A 60 9.092 -5.503 -3.792 1.00 3.15 H new ATOM 0 HA GLN A 60 8.707 -2.854 -2.928 1.00 35.00 H new ATOM 0 HB2 GLN A 60 11.081 -4.757 -2.669 1.00 72.34 H new ATOM 0 HB3 GLN A 60 11.024 -3.196 -1.874 1.00 72.34 H new ATOM 0 HG2 GLN A 60 8.878 -3.954 -0.721 1.00 62.22 H new ATOM 0 HG3 GLN A 60 9.143 -5.547 -1.400 1.00 62.22 H new ATOM 0 HE21 GLN A 60 9.349 -6.561 0.673 1.00 50.22 H new ATOM 0 HE22 GLN A 60 10.760 -6.293 1.702 1.00 50.22 H new ATOM 978 N MET A 61 10.985 -3.200 -5.314 1.00 55.03 N ATOM 979 CA MET A 61 11.826 -2.482 -6.301 1.00 4.41 C ATOM 980 C MET A 61 10.971 -1.610 -7.244 1.00 35.11 C ATOM 981 O MET A 61 11.353 -0.477 -7.563 1.00 34.11 O ATOM 982 CB MET A 61 12.684 -3.494 -7.112 1.00 62.43 C ATOM 983 CG MET A 61 13.662 -4.313 -6.265 1.00 15.33 C ATOM 984 SD MET A 61 14.590 -5.528 -7.222 1.00 42.24 S ATOM 985 CE MET A 61 15.485 -6.397 -5.931 1.00 45.34 C ATOM 0 H MET A 61 10.979 -4.212 -5.439 1.00 55.03 H new ATOM 0 HA MET A 61 12.493 -1.815 -5.755 1.00 4.41 H new ATOM 0 HB2 MET A 61 12.018 -4.177 -7.639 1.00 62.43 H new ATOM 0 HB3 MET A 61 13.246 -2.949 -7.870 1.00 62.43 H new ATOM 0 HG2 MET A 61 14.361 -3.636 -5.774 1.00 15.33 H new ATOM 0 HG3 MET A 61 13.109 -4.826 -5.478 1.00 15.33 H new ATOM 0 HE1 MET A 61 16.101 -7.178 -6.378 1.00 45.34 H new ATOM 0 HE2 MET A 61 16.122 -5.694 -5.394 1.00 45.34 H new ATOM 0 HE3 MET A 61 14.776 -6.847 -5.236 1.00 45.34 H new ATOM 995 N ALA A 62 9.800 -2.140 -7.658 1.00 4.02 N ATOM 996 CA ALA A 62 8.839 -1.412 -8.508 1.00 72.04 C ATOM 997 C ALA A 62 8.204 -0.239 -7.735 1.00 2.23 C ATOM 998 O ALA A 62 8.074 0.876 -8.269 1.00 73.31 O ATOM 999 CB ALA A 62 7.756 -2.372 -9.017 1.00 43.11 C ATOM 0 H ALA A 62 9.497 -3.082 -7.412 1.00 4.02 H new ATOM 0 HA ALA A 62 9.374 -1.001 -9.364 1.00 72.04 H new ATOM 0 HB1 ALA A 62 7.051 -1.826 -9.644 1.00 43.11 H new ATOM 0 HB2 ALA A 62 8.220 -3.167 -9.601 1.00 43.11 H new ATOM 0 HB3 ALA A 62 7.227 -2.806 -8.169 1.00 43.11 H new ATOM 1005 N LEU A 63 7.856 -0.513 -6.453 1.00 21.41 N ATOM 1006 CA LEU A 63 7.278 0.478 -5.529 1.00 30.53 C ATOM 1007 C LEU A 63 8.219 1.685 -5.372 1.00 71.45 C ATOM 1008 O LEU A 63 7.772 2.820 -5.427 1.00 30.31 O ATOM 1009 CB LEU A 63 6.984 -0.154 -4.136 1.00 71.22 C ATOM 1010 CG LEU A 63 5.862 -1.241 -4.082 1.00 62.34 C ATOM 1011 CD1 LEU A 63 5.803 -1.893 -2.684 1.00 25.12 C ATOM 1012 CD2 LEU A 63 4.490 -0.675 -4.506 1.00 42.11 C ATOM 0 H LEU A 63 7.972 -1.436 -6.035 1.00 21.41 H new ATOM 0 HA LEU A 63 6.335 0.818 -5.956 1.00 30.53 H new ATOM 0 HB2 LEU A 63 7.907 -0.598 -3.762 1.00 71.22 H new ATOM 0 HB3 LEU A 63 6.715 0.648 -3.448 1.00 71.22 H new ATOM 0 HG LEU A 63 6.116 -2.016 -4.805 1.00 62.34 H new ATOM 0 HD11 LEU A 63 5.016 -2.647 -2.667 1.00 25.12 H new ATOM 0 HD12 LEU A 63 6.761 -2.363 -2.461 1.00 25.12 H new ATOM 0 HD13 LEU A 63 5.591 -1.130 -1.935 1.00 25.12 H new ATOM 0 HD21 LEU A 63 3.739 -1.464 -4.454 1.00 42.11 H new ATOM 0 HD22 LEU A 63 4.209 0.138 -3.837 1.00 42.11 H new ATOM 0 HD23 LEU A 63 4.551 -0.299 -5.527 1.00 42.11 H new ATOM 1024 N GLN A 64 9.529 1.411 -5.237 1.00 14.32 N ATOM 1025 CA GLN A 64 10.566 2.453 -5.118 1.00 42.30 C ATOM 1026 C GLN A 64 10.519 3.463 -6.287 1.00 33.12 C ATOM 1027 O GLN A 64 10.608 4.681 -6.069 1.00 72.10 O ATOM 1028 CB GLN A 64 11.972 1.801 -5.043 1.00 75.41 C ATOM 1029 CG GLN A 64 13.117 2.787 -4.737 1.00 25.31 C ATOM 1030 CD GLN A 64 12.955 3.548 -3.414 1.00 53.12 C ATOM 1031 OE1 GLN A 64 13.338 4.712 -3.310 1.00 54.05 O ATOM 1032 NE2 GLN A 64 12.431 2.896 -2.379 1.00 63.31 N ATOM 0 H GLN A 64 9.899 0.461 -5.207 1.00 14.32 H new ATOM 0 HA GLN A 64 10.365 3.004 -4.199 1.00 42.30 H new ATOM 0 HB2 GLN A 64 11.960 1.028 -4.275 1.00 75.41 H new ATOM 0 HB3 GLN A 64 12.180 1.305 -5.991 1.00 75.41 H new ATOM 0 HG2 GLN A 64 14.058 2.238 -4.714 1.00 25.31 H new ATOM 0 HG3 GLN A 64 13.188 3.508 -5.552 1.00 25.31 H new ATOM 0 HE21 GLN A 64 12.120 1.931 -2.489 1.00 63.31 H new ATOM 0 HE22 GLN A 64 12.340 3.361 -1.476 1.00 63.31 H new ATOM 1041 N VAL A 65 10.303 2.952 -7.513 1.00 34.11 N ATOM 1042 CA VAL A 65 10.280 3.775 -8.734 1.00 31.31 C ATOM 1043 C VAL A 65 9.034 4.691 -8.754 1.00 73.45 C ATOM 1044 O VAL A 65 9.108 5.856 -9.172 1.00 32.22 O ATOM 1045 CB VAL A 65 10.315 2.859 -10.012 1.00 13.24 C ATOM 1046 CG1 VAL A 65 10.313 3.677 -11.325 1.00 4.41 C ATOM 1047 CG2 VAL A 65 11.521 1.887 -9.954 1.00 24.31 C ATOM 0 H VAL A 65 10.140 1.960 -7.684 1.00 34.11 H new ATOM 0 HA VAL A 65 11.167 4.409 -8.738 1.00 31.31 H new ATOM 0 HB VAL A 65 9.398 2.270 -10.014 1.00 13.24 H new ATOM 0 HG11 VAL A 65 10.338 2.998 -12.177 1.00 4.41 H new ATOM 0 HG12 VAL A 65 9.410 4.286 -11.373 1.00 4.41 H new ATOM 0 HG13 VAL A 65 11.189 4.324 -11.352 1.00 4.41 H new ATOM 0 HG21 VAL A 65 11.528 1.262 -10.847 1.00 24.31 H new ATOM 0 HG22 VAL A 65 12.447 2.459 -9.905 1.00 24.31 H new ATOM 0 HG23 VAL A 65 11.437 1.255 -9.070 1.00 24.31 H new ATOM 1057 N VAL A 66 7.912 4.179 -8.214 1.00 75.12 N ATOM 1058 CA VAL A 66 6.648 4.941 -8.106 1.00 52.44 C ATOM 1059 C VAL A 66 6.517 5.567 -6.691 1.00 62.35 C ATOM 1060 O VAL A 66 5.438 6.024 -6.296 1.00 12.34 O ATOM 1061 CB VAL A 66 5.409 4.037 -8.455 1.00 71.11 C ATOM 1062 CG1 VAL A 66 5.492 3.522 -9.913 1.00 45.03 C ATOM 1063 CG2 VAL A 66 5.267 2.872 -7.455 1.00 42.43 C ATOM 0 H VAL A 66 7.853 3.231 -7.842 1.00 75.12 H new ATOM 0 HA VAL A 66 6.669 5.752 -8.834 1.00 52.44 H new ATOM 0 HB VAL A 66 4.513 4.651 -8.370 1.00 71.11 H new ATOM 0 HG11 VAL A 66 4.624 2.900 -10.129 1.00 45.03 H new ATOM 0 HG12 VAL A 66 5.510 4.370 -10.598 1.00 45.03 H new ATOM 0 HG13 VAL A 66 6.401 2.934 -10.040 1.00 45.03 H new ATOM 0 HG21 VAL A 66 4.402 2.266 -7.723 1.00 42.43 H new ATOM 0 HG22 VAL A 66 6.165 2.255 -7.485 1.00 42.43 H new ATOM 0 HG23 VAL A 66 5.133 3.270 -6.449 1.00 42.43 H new ATOM 1073 N ASN A 67 7.651 5.558 -5.939 1.00 42.30 N ATOM 1074 CA ASN A 67 7.832 6.287 -4.660 1.00 33.22 C ATOM 1075 C ASN A 67 6.881 5.807 -3.543 1.00 41.14 C ATOM 1076 O ASN A 67 6.620 6.541 -2.586 1.00 52.50 O ATOM 1077 CB ASN A 67 7.703 7.823 -4.885 1.00 42.51 C ATOM 1078 CG ASN A 67 8.745 8.373 -5.859 1.00 61.22 C ATOM 1079 OD1 ASN A 67 9.840 8.780 -5.471 1.00 62.05 O ATOM 1080 ND2 ASN A 67 8.418 8.379 -7.134 1.00 15.04 N ATOM 0 H ASN A 67 8.480 5.032 -6.214 1.00 42.30 H new ATOM 0 HA ASN A 67 8.840 6.062 -4.312 1.00 33.22 H new ATOM 0 HB2 ASN A 67 6.706 8.047 -5.264 1.00 42.51 H new ATOM 0 HB3 ASN A 67 7.803 8.335 -3.928 1.00 42.51 H new ATOM 0 HD21 ASN A 67 9.079 8.727 -7.828 1.00 15.04 H new ATOM 0 HD22 ASN A 67 7.503 8.036 -7.428 1.00 15.04 H new ATOM 1087 N ILE A 68 6.433 4.546 -3.634 1.00 74.31 N ATOM 1088 CA ILE A 68 5.682 3.886 -2.561 1.00 40.32 C ATOM 1089 C ILE A 68 6.707 3.217 -1.625 1.00 70.20 C ATOM 1090 O ILE A 68 7.528 2.411 -2.077 1.00 74.44 O ATOM 1091 CB ILE A 68 4.673 2.805 -3.109 1.00 32.10 C ATOM 1092 CG1 ILE A 68 3.679 3.416 -4.150 1.00 41.24 C ATOM 1093 CG2 ILE A 68 3.912 2.112 -1.949 1.00 52.42 C ATOM 1094 CD1 ILE A 68 2.744 4.473 -3.602 1.00 12.14 C ATOM 0 H ILE A 68 6.582 3.957 -4.454 1.00 74.31 H new ATOM 0 HA ILE A 68 5.084 4.631 -2.036 1.00 40.32 H new ATOM 0 HB ILE A 68 5.260 2.046 -3.627 1.00 32.10 H new ATOM 0 HG12 ILE A 68 4.255 3.851 -4.967 1.00 41.24 H new ATOM 0 HG13 ILE A 68 3.081 2.610 -4.575 1.00 41.24 H new ATOM 0 HG21 ILE A 68 3.223 1.372 -2.357 1.00 52.42 H new ATOM 0 HG22 ILE A 68 4.626 1.619 -1.289 1.00 52.42 H new ATOM 0 HG23 ILE A 68 3.351 2.857 -1.385 1.00 52.42 H new ATOM 0 HD11 ILE A 68 2.095 4.834 -4.400 1.00 12.14 H new ATOM 0 HD12 ILE A 68 2.135 4.043 -2.806 1.00 12.14 H new ATOM 0 HD13 ILE A 68 3.327 5.304 -3.204 1.00 12.14 H new ATOM 1106 N GLN A 69 6.668 3.580 -0.348 1.00 51.31 N ATOM 1107 CA GLN A 69 7.596 3.078 0.677 1.00 51.31 C ATOM 1108 C GLN A 69 7.059 1.757 1.279 1.00 75.44 C ATOM 1109 O GLN A 69 5.860 1.641 1.532 1.00 5.11 O ATOM 1110 CB GLN A 69 7.742 4.170 1.764 1.00 73.01 C ATOM 1111 CG GLN A 69 8.736 3.861 2.902 1.00 65.33 C ATOM 1112 CD GLN A 69 8.745 4.919 4.009 1.00 65.43 C ATOM 1113 OE1 GLN A 69 8.994 4.601 5.167 1.00 71.05 O ATOM 1114 NE2 GLN A 69 8.500 6.184 3.667 1.00 4.33 N ATOM 0 H GLN A 69 5.983 4.241 0.017 1.00 51.31 H new ATOM 0 HA GLN A 69 8.572 2.864 0.241 1.00 51.31 H new ATOM 0 HB2 GLN A 69 8.050 5.097 1.281 1.00 73.01 H new ATOM 0 HB3 GLN A 69 6.761 4.351 2.204 1.00 73.01 H new ATOM 0 HG2 GLN A 69 8.488 2.893 3.337 1.00 65.33 H new ATOM 0 HG3 GLN A 69 9.739 3.775 2.484 1.00 65.33 H new ATOM 0 HE21 GLN A 69 8.296 6.419 2.696 1.00 4.33 H new ATOM 0 HE22 GLN A 69 8.517 6.917 4.377 1.00 4.33 H new ATOM 1123 N THR A 70 7.941 0.765 1.496 1.00 24.03 N ATOM 1124 CA THR A 70 7.571 -0.498 2.152 1.00 42.54 C ATOM 1125 C THR A 70 7.940 -0.403 3.642 1.00 51.35 C ATOM 1126 O THR A 70 9.122 -0.379 4.006 1.00 44.24 O ATOM 1127 CB THR A 70 8.261 -1.738 1.483 1.00 34.31 C ATOM 1128 OG1 THR A 70 7.898 -1.810 0.092 1.00 32.20 O ATOM 1129 CG2 THR A 70 7.864 -3.056 2.163 1.00 40.00 C ATOM 0 H THR A 70 8.922 0.817 1.223 1.00 24.03 H new ATOM 0 HA THR A 70 6.497 -0.648 2.041 1.00 42.54 H new ATOM 0 HB THR A 70 9.337 -1.604 1.593 1.00 34.31 H new ATOM 0 HG1 THR A 70 8.705 -1.751 -0.460 1.00 32.20 H new ATOM 0 HG21 THR A 70 8.365 -3.887 1.667 1.00 40.00 H new ATOM 0 HG22 THR A 70 8.160 -3.028 3.212 1.00 40.00 H new ATOM 0 HG23 THR A 70 6.784 -3.190 2.094 1.00 40.00 H new ATOM 1137 N ILE A 71 6.921 -0.296 4.491 1.00 73.22 N ATOM 1138 CA ILE A 71 7.085 -0.194 5.949 1.00 21.10 C ATOM 1139 C ILE A 71 7.343 -1.593 6.523 1.00 65.52 C ATOM 1140 O ILE A 71 8.283 -1.812 7.300 1.00 11.32 O ATOM 1141 CB ILE A 71 5.799 0.422 6.607 1.00 44.23 C ATOM 1142 CG1 ILE A 71 5.374 1.725 5.871 1.00 52.44 C ATOM 1143 CG2 ILE A 71 5.997 0.675 8.119 1.00 12.15 C ATOM 1144 CD1 ILE A 71 6.369 2.859 5.943 1.00 52.22 C ATOM 0 H ILE A 71 5.947 -0.277 4.189 1.00 73.22 H new ATOM 0 HA ILE A 71 7.930 0.459 6.169 1.00 21.10 H new ATOM 0 HB ILE A 71 4.994 -0.306 6.504 1.00 44.23 H new ATOM 0 HG12 ILE A 71 5.193 1.488 4.823 1.00 52.44 H new ATOM 0 HG13 ILE A 71 4.427 2.067 6.289 1.00 52.44 H new ATOM 0 HG21 ILE A 71 5.086 1.101 8.539 1.00 12.15 H new ATOM 0 HG22 ILE A 71 6.221 -0.267 8.619 1.00 12.15 H new ATOM 0 HG23 ILE A 71 6.824 1.369 8.266 1.00 12.15 H new ATOM 0 HD11 ILE A 71 5.979 3.720 5.400 1.00 52.22 H new ATOM 0 HD12 ILE A 71 6.535 3.132 6.985 1.00 52.22 H new ATOM 0 HD13 ILE A 71 7.312 2.545 5.496 1.00 52.22 H new ATOM 1156 N ALA A 72 6.491 -2.531 6.097 1.00 51.24 N ATOM 1157 CA ALA A 72 6.550 -3.938 6.488 1.00 30.12 C ATOM 1158 C ALA A 72 6.259 -4.804 5.263 1.00 71.40 C ATOM 1159 O ALA A 72 5.530 -4.372 4.360 1.00 34.22 O ATOM 1160 CB ALA A 72 5.517 -4.212 7.597 1.00 12.05 C ATOM 0 H ALA A 72 5.725 -2.326 5.456 1.00 51.24 H new ATOM 0 HA ALA A 72 7.542 -4.178 6.872 1.00 30.12 H new ATOM 0 HB1 ALA A 72 5.564 -5.262 7.886 1.00 12.05 H new ATOM 0 HB2 ALA A 72 5.738 -3.587 8.462 1.00 12.05 H new ATOM 0 HB3 ALA A 72 4.518 -3.981 7.228 1.00 12.05 H new ATOM 1166 N MET A 73 6.861 -5.995 5.219 1.00 64.13 N ATOM 1167 CA MET A 73 6.568 -7.009 4.198 1.00 1.35 C ATOM 1168 C MET A 73 6.966 -8.391 4.721 1.00 5.11 C ATOM 1169 O MET A 73 8.109 -8.586 5.158 1.00 70.45 O ATOM 1170 CB MET A 73 7.280 -6.697 2.851 1.00 71.33 C ATOM 1171 CG MET A 73 6.983 -7.705 1.725 1.00 65.04 C ATOM 1172 SD MET A 73 7.374 -7.071 0.081 1.00 30.23 S ATOM 1173 CE MET A 73 6.242 -5.682 -0.043 1.00 30.13 C ATOM 0 H MET A 73 7.569 -6.286 5.893 1.00 64.13 H new ATOM 0 HA MET A 73 5.497 -6.995 3.998 1.00 1.35 H new ATOM 0 HB2 MET A 73 6.983 -5.702 2.519 1.00 71.33 H new ATOM 0 HB3 MET A 73 8.356 -6.668 3.021 1.00 71.33 H new ATOM 0 HG2 MET A 73 7.555 -8.616 1.901 1.00 65.04 H new ATOM 0 HG3 MET A 73 5.929 -7.979 1.760 1.00 65.04 H new ATOM 0 HE1 MET A 73 6.333 -5.226 -1.029 1.00 30.13 H new ATOM 0 HE2 MET A 73 5.220 -6.032 0.102 1.00 30.13 H new ATOM 0 HE3 MET A 73 6.486 -4.945 0.722 1.00 30.13 H new ATOM 1183 N SER A 74 6.017 -9.341 4.670 1.00 13.21 N ATOM 1184 CA SER A 74 6.236 -10.735 5.077 1.00 22.53 C ATOM 1185 C SER A 74 7.118 -11.455 4.041 1.00 15.31 C ATOM 1186 O SER A 74 7.312 -10.958 2.919 1.00 12.34 O ATOM 1187 CB SER A 74 4.878 -11.458 5.238 1.00 35.15 C ATOM 1188 OG SER A 74 4.032 -10.754 6.136 1.00 45.14 O ATOM 0 H SER A 74 5.069 -9.159 4.342 1.00 13.21 H new ATOM 0 HA SER A 74 6.751 -10.751 6.037 1.00 22.53 H new ATOM 0 HB2 SER A 74 4.391 -11.546 4.267 1.00 35.15 H new ATOM 0 HB3 SER A 74 5.042 -12.471 5.605 1.00 35.15 H new ATOM 0 HG SER A 74 3.635 -9.985 5.677 1.00 45.14 H new ATOM 1194 N ARG A 75 7.620 -12.637 4.412 1.00 42.24 N ATOM 1195 CA ARG A 75 8.553 -13.402 3.578 1.00 40.43 C ATOM 1196 C ARG A 75 7.797 -14.178 2.492 1.00 4.04 C ATOM 1197 O ARG A 75 6.608 -14.511 2.649 1.00 11.54 O ATOM 1198 CB ARG A 75 9.414 -14.357 4.452 1.00 24.31 C ATOM 1199 CG ARG A 75 10.281 -13.625 5.503 1.00 2.24 C ATOM 1200 CD ARG A 75 11.212 -14.558 6.305 1.00 73.20 C ATOM 1201 NE ARG A 75 11.970 -13.811 7.321 1.00 75.34 N ATOM 1202 CZ ARG A 75 13.166 -14.151 7.828 1.00 72.21 C ATOM 1203 NH1 ARG A 75 13.808 -15.259 7.431 1.00 0.21 N ATOM 1204 NH2 ARG A 75 13.696 -13.386 8.771 1.00 12.14 N ATOM 0 H ARG A 75 7.392 -13.090 5.297 1.00 42.24 H new ATOM 0 HA ARG A 75 9.226 -12.702 3.083 1.00 40.43 H new ATOM 0 HB2 ARG A 75 8.756 -15.060 4.963 1.00 24.31 H new ATOM 0 HB3 ARG A 75 10.064 -14.943 3.802 1.00 24.31 H new ATOM 0 HG2 ARG A 75 10.885 -12.870 4.999 1.00 2.24 H new ATOM 0 HG3 ARG A 75 9.626 -13.098 6.197 1.00 2.24 H new ATOM 0 HD2 ARG A 75 10.622 -15.337 6.788 1.00 73.20 H new ATOM 0 HD3 ARG A 75 11.903 -15.057 5.626 1.00 73.20 H new ATOM 0 HE ARG A 75 11.546 -12.953 7.674 1.00 75.34 H new ATOM 0 HH11 ARG A 75 13.389 -15.867 6.727 1.00 0.21 H new ATOM 0 HH12 ARG A 75 14.716 -15.494 7.832 1.00 0.21 H new ATOM 0 HH21 ARG A 75 13.197 -12.559 9.097 1.00 12.14 H new ATOM 0 HH22 ARG A 75 14.603 -13.625 9.171 1.00 12.14 H new ATOM 1218 N ALA A 76 8.506 -14.441 1.385 1.00 4.12 N ATOM 1219 CA ALA A 76 7.999 -15.231 0.266 1.00 2.10 C ATOM 1220 C ALA A 76 7.770 -16.677 0.718 1.00 60.40 C ATOM 1221 O ALA A 76 8.657 -17.291 1.324 1.00 52.35 O ATOM 1222 CB ALA A 76 8.983 -15.176 -0.905 1.00 42.34 C ATOM 0 H ALA A 76 9.459 -14.105 1.245 1.00 4.12 H new ATOM 0 HA ALA A 76 7.048 -14.816 -0.069 1.00 2.10 H new ATOM 0 HB1 ALA A 76 8.595 -15.768 -1.734 1.00 42.34 H new ATOM 0 HB2 ALA A 76 9.109 -14.142 -1.226 1.00 42.34 H new ATOM 0 HB3 ALA A 76 9.946 -15.579 -0.590 1.00 42.34 H new ATOM 1228 N GLY A 77 6.565 -17.190 0.440 1.00 33.10 N ATOM 1229 CA GLY A 77 6.143 -18.516 0.889 1.00 52.25 C ATOM 1230 C GLY A 77 5.216 -18.458 2.085 1.00 30.44 C ATOM 1231 O GLY A 77 4.453 -19.403 2.329 1.00 75.10 O ATOM 0 H GLY A 77 5.857 -16.695 -0.103 1.00 33.10 H new ATOM 0 HA2 GLY A 77 5.641 -19.030 0.069 1.00 52.25 H new ATOM 0 HA3 GLY A 77 7.023 -19.106 1.144 1.00 52.25 H new ATOM 1235 N SER A 78 5.249 -17.338 2.834 1.00 34.50 N ATOM 1236 CA SER A 78 4.367 -17.154 3.990 1.00 44.40 C ATOM 1237 C SER A 78 3.020 -16.628 3.475 1.00 50.23 C ATOM 1238 O SER A 78 2.973 -15.544 2.898 1.00 1.02 O ATOM 1239 CB SER A 78 5.002 -16.144 4.983 1.00 34.02 C ATOM 1240 OG SER A 78 6.331 -16.513 5.335 1.00 53.44 O ATOM 0 H SER A 78 5.876 -16.554 2.655 1.00 34.50 H new ATOM 0 HA SER A 78 4.222 -18.097 4.517 1.00 44.40 H new ATOM 0 HB2 SER A 78 5.007 -15.150 4.537 1.00 34.02 H new ATOM 0 HB3 SER A 78 4.390 -16.086 5.883 1.00 34.02 H new ATOM 0 HG SER A 78 6.699 -15.854 5.960 1.00 53.44 H new ATOM 1246 N ARG A 79 1.936 -17.403 3.665 1.00 25.22 N ATOM 1247 CA ARG A 79 0.568 -17.026 3.234 1.00 71.31 C ATOM 1248 C ARG A 79 -0.424 -17.409 4.368 1.00 11.13 C ATOM 1249 O ARG A 79 -0.361 -18.545 4.846 1.00 41.11 O ATOM 1250 CB ARG A 79 0.209 -17.691 1.870 1.00 71.22 C ATOM 1251 CG ARG A 79 1.049 -17.187 0.667 1.00 1.24 C ATOM 1252 CD ARG A 79 0.795 -17.956 -0.640 1.00 11.54 C ATOM 1253 NE ARG A 79 -0.558 -17.742 -1.198 1.00 55.42 N ATOM 1254 CZ ARG A 79 -0.979 -18.203 -2.392 1.00 11.23 C ATOM 1255 NH1 ARG A 79 -0.179 -18.936 -3.173 1.00 72.14 N ATOM 1256 NH2 ARG A 79 -2.215 -17.945 -2.799 1.00 30.11 N ATOM 0 H ARG A 79 1.980 -18.313 4.123 1.00 25.22 H new ATOM 0 HA ARG A 79 0.505 -15.951 3.065 1.00 71.31 H new ATOM 0 HB2 ARG A 79 0.339 -18.769 1.961 1.00 71.22 H new ATOM 0 HB3 ARG A 79 -0.846 -17.513 1.660 1.00 71.22 H new ATOM 0 HG2 ARG A 79 0.833 -16.131 0.503 1.00 1.24 H new ATOM 0 HG3 ARG A 79 2.107 -17.260 0.920 1.00 1.24 H new ATOM 0 HD2 ARG A 79 1.536 -17.654 -1.380 1.00 11.54 H new ATOM 0 HD3 ARG A 79 0.941 -19.021 -0.460 1.00 11.54 H new ATOM 0 HE ARG A 79 -1.221 -17.206 -0.638 1.00 55.42 H new ATOM 0 HH11 ARG A 79 0.769 -19.156 -2.868 1.00 72.14 H new ATOM 0 HH12 ARG A 79 -0.517 -19.276 -4.074 1.00 72.14 H new ATOM 0 HH21 ARG A 79 -2.843 -17.399 -2.209 1.00 30.11 H new ATOM 0 HH22 ARG A 79 -2.537 -18.292 -3.702 1.00 30.11 H new ATOM 1270 N PRO A 80 -1.365 -16.507 4.838 1.00 73.11 N ATOM 1271 CA PRO A 80 -1.706 -15.199 4.204 1.00 75.44 C ATOM 1272 C PRO A 80 -0.609 -14.122 4.352 1.00 14.41 C ATOM 1273 O PRO A 80 -0.381 -13.581 5.439 1.00 12.22 O ATOM 1274 CB PRO A 80 -3.013 -14.795 4.930 1.00 52.55 C ATOM 1275 CG PRO A 80 -2.899 -15.402 6.292 1.00 53.22 C ATOM 1276 CD PRO A 80 -2.163 -16.713 6.093 1.00 41.14 C ATOM 0 HA PRO A 80 -1.810 -15.289 3.123 1.00 75.44 H new ATOM 0 HB2 PRO A 80 -3.114 -13.711 4.988 1.00 52.55 H new ATOM 0 HB3 PRO A 80 -3.890 -15.170 4.402 1.00 52.55 H new ATOM 0 HG2 PRO A 80 -2.354 -14.745 6.970 1.00 53.22 H new ATOM 0 HG3 PRO A 80 -3.883 -15.567 6.731 1.00 53.22 H new ATOM 0 HD2 PRO A 80 -1.517 -16.939 6.942 1.00 41.14 H new ATOM 0 HD3 PRO A 80 -2.857 -17.547 5.990 1.00 41.14 H new ATOM 1284 N TRP A 81 0.077 -13.868 3.230 1.00 72.45 N ATOM 1285 CA TRP A 81 1.148 -12.872 3.131 1.00 3.44 C ATOM 1286 C TRP A 81 0.587 -11.475 3.433 1.00 12.24 C ATOM 1287 O TRP A 81 -0.445 -11.112 2.900 1.00 31.24 O ATOM 1288 CB TRP A 81 1.772 -12.942 1.704 1.00 35.10 C ATOM 1289 CG TRP A 81 2.804 -11.876 1.428 1.00 61.21 C ATOM 1290 CD1 TRP A 81 4.135 -11.901 1.730 1.00 3.44 C ATOM 1291 CD2 TRP A 81 2.563 -10.621 0.795 1.00 21.44 C ATOM 1292 NE1 TRP A 81 4.724 -10.723 1.343 1.00 42.21 N ATOM 1293 CE2 TRP A 81 3.780 -9.929 0.755 1.00 31.11 C ATOM 1294 CE3 TRP A 81 1.423 -10.026 0.262 1.00 33.33 C ATOM 1295 CZ2 TRP A 81 3.884 -8.659 0.209 1.00 44.15 C ATOM 1296 CZ3 TRP A 81 1.528 -8.778 -0.289 1.00 62.44 C ATOM 1297 CH2 TRP A 81 2.750 -8.101 -0.318 1.00 71.34 C ATOM 0 H TRP A 81 -0.101 -14.357 2.353 1.00 72.45 H new ATOM 0 HA TRP A 81 1.929 -13.080 3.862 1.00 3.44 H new ATOM 0 HB2 TRP A 81 2.232 -13.921 1.568 1.00 35.10 H new ATOM 0 HB3 TRP A 81 0.974 -12.859 0.966 1.00 35.10 H new ATOM 0 HD1 TRP A 81 4.648 -12.725 2.203 1.00 3.44 H new ATOM 0 HE1 TRP A 81 5.706 -10.480 1.473 1.00 42.21 H new ATOM 0 HE3 TRP A 81 0.473 -10.540 0.283 1.00 33.33 H new ATOM 0 HZ2 TRP A 81 4.825 -8.129 0.200 1.00 44.15 H new ATOM 0 HZ3 TRP A 81 0.651 -8.308 -0.709 1.00 62.44 H new ATOM 0 HH2 TRP A 81 2.801 -7.119 -0.765 1.00 71.34 H new ATOM 1308 N LYS A 82 1.242 -10.714 4.308 1.00 72.30 N ATOM 1309 CA LYS A 82 0.845 -9.328 4.593 1.00 51.51 C ATOM 1310 C LYS A 82 1.998 -8.363 4.273 1.00 14.31 C ATOM 1311 O LYS A 82 3.167 -8.750 4.287 1.00 23.53 O ATOM 1312 CB LYS A 82 0.388 -9.195 6.071 1.00 64.22 C ATOM 1313 CG LYS A 82 -0.296 -7.850 6.400 1.00 54.43 C ATOM 1314 CD LYS A 82 -0.621 -7.671 7.896 1.00 25.32 C ATOM 1315 CE LYS A 82 -1.599 -8.721 8.444 1.00 43.53 C ATOM 1316 NZ LYS A 82 -1.949 -8.449 9.870 1.00 25.02 N ATOM 0 H LYS A 82 2.054 -11.032 4.836 1.00 72.30 H new ATOM 0 HA LYS A 82 0.002 -9.061 3.955 1.00 51.51 H new ATOM 0 HB2 LYS A 82 -0.301 -10.007 6.302 1.00 64.22 H new ATOM 0 HB3 LYS A 82 1.254 -9.318 6.721 1.00 64.22 H new ATOM 0 HG2 LYS A 82 0.352 -7.035 6.078 1.00 54.43 H new ATOM 0 HG3 LYS A 82 -1.218 -7.771 5.825 1.00 54.43 H new ATOM 0 HD2 LYS A 82 0.306 -7.716 8.468 1.00 25.32 H new ATOM 0 HD3 LYS A 82 -1.043 -6.678 8.051 1.00 25.32 H new ATOM 0 HE2 LYS A 82 -2.506 -8.726 7.840 1.00 43.53 H new ATOM 0 HE3 LYS A 82 -1.155 -9.713 8.360 1.00 43.53 H new ATOM 0 HZ1 LYS A 82 -2.611 -9.176 10.210 1.00 25.02 H new ATOM 0 HZ2 LYS A 82 -1.086 -8.469 10.449 1.00 25.02 H new ATOM 0 HZ3 LYS A 82 -2.395 -7.512 9.945 1.00 25.02 H new ATOM 1330 N ALA A 83 1.645 -7.111 3.960 1.00 71.42 N ATOM 1331 CA ALA A 83 2.599 -6.013 3.797 1.00 13.01 C ATOM 1332 C ALA A 83 1.923 -4.697 4.160 1.00 21.22 C ATOM 1333 O ALA A 83 0.724 -4.524 3.932 1.00 4.31 O ATOM 1334 CB ALA A 83 3.154 -5.946 2.367 1.00 3.31 C ATOM 0 H ALA A 83 0.676 -6.830 3.811 1.00 71.42 H new ATOM 0 HA ALA A 83 3.441 -6.194 4.465 1.00 13.01 H new ATOM 0 HB1 ALA A 83 3.858 -5.118 2.288 1.00 3.31 H new ATOM 0 HB2 ALA A 83 3.664 -6.880 2.131 1.00 3.31 H new ATOM 0 HB3 ALA A 83 2.334 -5.793 1.665 1.00 3.31 H new ATOM 1340 N TYR A 84 2.706 -3.783 4.730 1.00 14.34 N ATOM 1341 CA TYR A 84 2.280 -2.420 5.030 1.00 32.13 C ATOM 1342 C TYR A 84 3.078 -1.453 4.147 1.00 35.14 C ATOM 1343 O TYR A 84 4.303 -1.387 4.241 1.00 32.01 O ATOM 1344 CB TYR A 84 2.482 -2.120 6.541 1.00 13.14 C ATOM 1345 CG TYR A 84 1.517 -2.880 7.467 1.00 65.24 C ATOM 1346 CD1 TYR A 84 0.153 -2.959 7.171 1.00 52.40 C ATOM 1347 CD2 TYR A 84 1.953 -3.472 8.657 1.00 11.23 C ATOM 1348 CE1 TYR A 84 -0.726 -3.607 8.010 1.00 61.33 C ATOM 1349 CE2 TYR A 84 1.071 -4.128 9.494 1.00 32.32 C ATOM 1350 CZ TYR A 84 -0.267 -4.184 9.170 1.00 3.13 C ATOM 1351 OH TYR A 84 -1.152 -4.818 10.014 1.00 33.15 O ATOM 0 H TYR A 84 3.671 -3.974 5.001 1.00 14.34 H new ATOM 0 HA TYR A 84 1.219 -2.296 4.815 1.00 32.13 H new ATOM 0 HB2 TYR A 84 3.506 -2.371 6.816 1.00 13.14 H new ATOM 0 HB3 TYR A 84 2.361 -1.050 6.707 1.00 13.14 H new ATOM 0 HD1 TYR A 84 -0.219 -2.502 6.266 1.00 52.40 H new ATOM 0 HD2 TYR A 84 2.997 -3.415 8.926 1.00 11.23 H new ATOM 0 HE1 TYR A 84 -1.774 -3.662 7.757 1.00 61.33 H new ATOM 0 HE2 TYR A 84 1.429 -4.595 10.399 1.00 32.32 H new ATOM 0 HH TYR A 84 -0.668 -5.173 10.789 1.00 33.15 H new ATOM 1361 N LEU A 85 2.367 -0.758 3.252 1.00 43.54 N ATOM 1362 CA LEU A 85 2.943 0.247 2.344 1.00 31.05 C ATOM 1363 C LEU A 85 2.465 1.639 2.768 1.00 20.24 C ATOM 1364 O LEU A 85 1.318 1.793 3.164 1.00 71.10 O ATOM 1365 CB LEU A 85 2.502 -0.013 0.872 1.00 22.52 C ATOM 1366 CG LEU A 85 2.753 -1.438 0.293 1.00 64.34 C ATOM 1367 CD1 LEU A 85 2.380 -1.490 -1.210 1.00 4.52 C ATOM 1368 CD2 LEU A 85 4.201 -1.914 0.548 1.00 53.34 C ATOM 0 H LEU A 85 1.361 -0.878 3.134 1.00 43.54 H new ATOM 0 HA LEU A 85 4.030 0.182 2.400 1.00 31.05 H new ATOM 0 HB2 LEU A 85 1.435 0.199 0.797 1.00 22.52 H new ATOM 0 HB3 LEU A 85 3.016 0.706 0.234 1.00 22.52 H new ATOM 0 HG LEU A 85 2.102 -2.135 0.820 1.00 64.34 H new ATOM 0 HD11 LEU A 85 2.562 -2.493 -1.596 1.00 4.52 H new ATOM 0 HD12 LEU A 85 1.326 -1.240 -1.332 1.00 4.52 H new ATOM 0 HD13 LEU A 85 2.989 -0.773 -1.761 1.00 4.52 H new ATOM 0 HD21 LEU A 85 4.335 -2.911 0.129 1.00 53.34 H new ATOM 0 HD22 LEU A 85 4.899 -1.224 0.074 1.00 53.34 H new ATOM 0 HD23 LEU A 85 4.391 -1.942 1.621 1.00 53.34 H new ATOM 1380 N SER A 86 3.316 2.649 2.631 1.00 21.02 N ATOM 1381 CA SER A 86 2.960 4.029 2.972 1.00 64.34 C ATOM 1382 C SER A 86 3.512 4.971 1.916 1.00 62.13 C ATOM 1383 O SER A 86 4.527 4.679 1.279 1.00 64.15 O ATOM 1384 CB SER A 86 3.471 4.422 4.375 1.00 61.22 C ATOM 1385 OG SER A 86 3.075 5.742 4.722 1.00 12.44 O ATOM 0 H SER A 86 4.268 2.540 2.283 1.00 21.02 H new ATOM 0 HA SER A 86 1.873 4.107 2.994 1.00 64.34 H new ATOM 0 HB2 SER A 86 3.086 3.719 5.114 1.00 61.22 H new ATOM 0 HB3 SER A 86 4.558 4.348 4.401 1.00 61.22 H new ATOM 0 HG SER A 86 2.157 5.899 4.417 1.00 12.44 H new ATOM 1391 N ALA A 87 2.823 6.082 1.728 1.00 21.51 N ATOM 1392 CA ALA A 87 3.213 7.117 0.785 1.00 33.23 C ATOM 1393 C ALA A 87 2.819 8.475 1.353 1.00 2.40 C ATOM 1394 O ALA A 87 1.964 8.560 2.232 1.00 75.00 O ATOM 1395 CB ALA A 87 2.545 6.859 -0.573 1.00 3.20 C ATOM 0 H ALA A 87 1.963 6.295 2.234 1.00 21.51 H new ATOM 0 HA ALA A 87 4.292 7.105 0.631 1.00 33.23 H new ATOM 0 HB1 ALA A 87 2.840 7.637 -1.277 1.00 3.20 H new ATOM 0 HB2 ALA A 87 2.859 5.887 -0.954 1.00 3.20 H new ATOM 0 HB3 ALA A 87 1.462 6.869 -0.453 1.00 3.20 H new ATOM 1401 N GLN A 88 3.457 9.531 0.865 1.00 74.24 N ATOM 1402 CA GLN A 88 3.128 10.901 1.246 1.00 43.43 C ATOM 1403 C GLN A 88 3.474 11.811 0.075 1.00 65.44 C ATOM 1404 O GLN A 88 4.626 11.839 -0.354 1.00 2.42 O ATOM 1405 CB GLN A 88 3.900 11.331 2.522 1.00 72.03 C ATOM 1406 CG GLN A 88 3.387 12.649 3.134 1.00 75.02 C ATOM 1407 CD GLN A 88 4.195 13.129 4.339 1.00 35.35 C ATOM 1408 OE1 GLN A 88 4.218 14.431 4.542 1.00 11.15 O flip ATOM 1409 NE2 GLN A 88 4.778 12.343 5.087 1.00 23.12 N flip ATOM 0 H GLN A 88 4.220 9.463 0.191 1.00 74.24 H new ATOM 0 HA GLN A 88 2.065 10.973 1.479 1.00 43.43 H new ATOM 0 HB2 GLN A 88 3.824 10.539 3.267 1.00 72.03 H new ATOM 0 HB3 GLN A 88 4.957 11.439 2.279 1.00 72.03 H new ATOM 0 HG2 GLN A 88 3.402 13.424 2.367 1.00 75.02 H new ATOM 0 HG3 GLN A 88 2.348 12.518 3.435 1.00 75.02 H new ATOM 0 HE21 GLN A 88 4.741 11.341 4.902 1.00 23.12 H new ATOM 0 HE22 GLN A 88 5.298 12.695 5.891 1.00 23.12 H new ATOM 1418 N ASP A 89 2.486 12.553 -0.440 1.00 32.45 N ATOM 1419 CA ASP A 89 2.683 13.381 -1.638 1.00 40.53 C ATOM 1420 C ASP A 89 3.215 14.772 -1.245 1.00 62.24 C ATOM 1421 O ASP A 89 3.303 15.084 -0.053 1.00 22.30 O ATOM 1422 CB ASP A 89 1.372 13.444 -2.483 1.00 12.30 C ATOM 1423 CG ASP A 89 0.402 14.573 -2.120 1.00 64.25 C ATOM 1424 OD1 ASP A 89 0.060 14.719 -0.940 1.00 74.43 O ATOM 1425 OD2 ASP A 89 -0.010 15.325 -3.021 1.00 0.23 O ATOM 0 H ASP A 89 1.545 12.598 -0.048 1.00 32.45 H new ATOM 0 HA ASP A 89 3.440 12.923 -2.275 1.00 40.53 H new ATOM 0 HB2 ASP A 89 1.643 13.547 -3.534 1.00 12.30 H new ATOM 0 HB3 ASP A 89 0.849 12.493 -2.380 1.00 12.30 H new ATOM 1430 N ASP A 90 3.553 15.597 -2.249 1.00 23.11 N ATOM 1431 CA ASP A 90 4.171 16.924 -2.044 1.00 64.14 C ATOM 1432 C ASP A 90 3.194 17.913 -1.336 1.00 21.42 C ATOM 1433 O ASP A 90 3.638 18.909 -0.752 1.00 64.55 O ATOM 1434 CB ASP A 90 4.671 17.480 -3.411 1.00 62.51 C ATOM 1435 CG ASP A 90 5.430 18.821 -3.309 1.00 64.44 C ATOM 1436 OD1 ASP A 90 6.631 18.809 -2.971 1.00 24.13 O ATOM 1437 OD2 ASP A 90 4.836 19.890 -3.573 1.00 42.04 O ATOM 0 H ASP A 90 3.406 15.365 -3.231 1.00 23.11 H new ATOM 0 HA ASP A 90 5.027 16.814 -1.379 1.00 64.14 H new ATOM 0 HB2 ASP A 90 5.324 16.740 -3.875 1.00 62.51 H new ATOM 0 HB3 ASP A 90 3.815 17.609 -4.073 1.00 62.51 H new ATOM 1442 N THR A 91 1.872 17.609 -1.340 1.00 65.24 N ATOM 1443 CA THR A 91 0.860 18.463 -0.659 1.00 15.20 C ATOM 1444 C THR A 91 0.628 17.994 0.802 1.00 3.04 C ATOM 1445 O THR A 91 -0.133 18.625 1.543 1.00 52.11 O ATOM 1446 CB THR A 91 -0.508 18.556 -1.433 1.00 53.40 C ATOM 1447 OG1 THR A 91 -1.301 17.374 -1.271 1.00 4.33 O ATOM 1448 CG2 THR A 91 -0.298 18.815 -2.936 1.00 65.04 C ATOM 0 H THR A 91 1.482 16.787 -1.802 1.00 65.24 H new ATOM 0 HA THR A 91 1.278 19.470 -0.650 1.00 15.20 H new ATOM 0 HB THR A 91 -1.041 19.400 -0.995 1.00 53.40 H new ATOM 0 HG1 THR A 91 -1.022 16.701 -1.926 1.00 4.33 H new ATOM 0 HG21 THR A 91 -1.266 18.872 -3.434 1.00 65.04 H new ATOM 0 HG22 THR A 91 0.236 19.755 -3.072 1.00 65.04 H new ATOM 0 HG23 THR A 91 0.284 18.001 -3.368 1.00 65.04 H new ATOM 1456 N GLY A 92 1.291 16.880 1.199 1.00 30.02 N ATOM 1457 CA GLY A 92 1.342 16.436 2.605 1.00 53.24 C ATOM 1458 C GLY A 92 0.244 15.465 3.008 1.00 14.11 C ATOM 1459 O GLY A 92 -0.063 15.336 4.200 1.00 14.32 O ATOM 0 H GLY A 92 1.799 16.272 0.557 1.00 30.02 H new ATOM 0 HA2 GLY A 92 2.308 15.966 2.788 1.00 53.24 H new ATOM 0 HA3 GLY A 92 1.287 17.313 3.250 1.00 53.24 H new ATOM 1463 N CYS A 93 -0.367 14.793 2.027 1.00 53.43 N ATOM 1464 CA CYS A 93 -1.375 13.748 2.283 1.00 33.04 C ATOM 1465 C CYS A 93 -0.673 12.415 2.593 1.00 25.30 C ATOM 1466 O CYS A 93 0.124 11.940 1.784 1.00 34.43 O ATOM 1467 CB CYS A 93 -2.302 13.598 1.057 1.00 73.35 C ATOM 1468 SG CYS A 93 -3.014 15.160 0.487 1.00 54.54 S ATOM 0 H CYS A 93 -0.181 14.954 1.037 1.00 53.43 H new ATOM 0 HA CYS A 93 -1.981 14.034 3.143 1.00 33.04 H new ATOM 0 HB2 CYS A 93 -1.739 13.146 0.240 1.00 73.35 H new ATOM 0 HB3 CYS A 93 -3.110 12.910 1.306 1.00 73.35 H new ATOM 0 HG CYS A 93 -2.117 15.830 -0.174 1.00 54.54 H new ATOM 1474 N LEU A 94 -0.970 11.823 3.760 1.00 25.21 N ATOM 1475 CA LEU A 94 -0.350 10.560 4.216 1.00 54.13 C ATOM 1476 C LEU A 94 -1.270 9.377 3.836 1.00 4.43 C ATOM 1477 O LEU A 94 -2.466 9.410 4.107 1.00 2.33 O ATOM 1478 CB LEU A 94 -0.089 10.623 5.762 1.00 2.40 C ATOM 1479 CG LEU A 94 1.024 9.683 6.359 1.00 52.24 C ATOM 1480 CD1 LEU A 94 0.605 8.205 6.382 1.00 74.24 C ATOM 1481 CD2 LEU A 94 2.370 9.859 5.620 1.00 60.21 C ATOM 0 H LEU A 94 -1.648 12.204 4.419 1.00 25.21 H new ATOM 0 HA LEU A 94 0.613 10.414 3.726 1.00 54.13 H new ATOM 0 HB2 LEU A 94 0.170 11.651 6.016 1.00 2.40 H new ATOM 0 HB3 LEU A 94 -1.027 10.395 6.269 1.00 2.40 H new ATOM 0 HG LEU A 94 1.158 9.992 7.396 1.00 52.24 H new ATOM 0 HD11 LEU A 94 1.411 7.605 6.804 1.00 74.24 H new ATOM 0 HD12 LEU A 94 -0.290 8.090 6.993 1.00 74.24 H new ATOM 0 HD13 LEU A 94 0.396 7.870 5.366 1.00 74.24 H new ATOM 0 HD21 LEU A 94 3.115 9.195 6.058 1.00 60.21 H new ATOM 0 HD22 LEU A 94 2.241 9.614 4.566 1.00 60.21 H new ATOM 0 HD23 LEU A 94 2.704 10.892 5.714 1.00 60.21 H new ATOM 1493 N PHE A 95 -0.688 8.349 3.197 1.00 63.33 N ATOM 1494 CA PHE A 95 -1.386 7.129 2.744 1.00 24.23 C ATOM 1495 C PHE A 95 -0.853 5.905 3.497 1.00 24.33 C ATOM 1496 O PHE A 95 0.358 5.743 3.648 1.00 44.33 O ATOM 1497 CB PHE A 95 -1.172 6.927 1.223 1.00 34.43 C ATOM 1498 CG PHE A 95 -1.744 8.046 0.358 1.00 23.14 C ATOM 1499 CD1 PHE A 95 -1.053 9.245 0.183 1.00 53.21 C ATOM 1500 CD2 PHE A 95 -2.980 7.900 -0.269 1.00 0.35 C ATOM 1501 CE1 PHE A 95 -1.584 10.257 -0.588 1.00 51.54 C ATOM 1502 CE2 PHE A 95 -3.506 8.915 -1.037 1.00 30.33 C ATOM 1503 CZ PHE A 95 -2.808 10.091 -1.196 1.00 71.54 C ATOM 0 H PHE A 95 0.307 8.341 2.974 1.00 63.33 H new ATOM 0 HA PHE A 95 -2.451 7.243 2.948 1.00 24.23 H new ATOM 0 HB2 PHE A 95 -0.103 6.840 1.026 1.00 34.43 H new ATOM 0 HB3 PHE A 95 -1.628 5.983 0.925 1.00 34.43 H new ATOM 0 HD1 PHE A 95 -0.092 9.382 0.656 1.00 53.21 H new ATOM 0 HD2 PHE A 95 -3.532 6.979 -0.151 1.00 0.35 H new ATOM 0 HE1 PHE A 95 -1.039 11.181 -0.715 1.00 51.54 H new ATOM 0 HE2 PHE A 95 -4.466 8.788 -1.515 1.00 30.33 H new ATOM 0 HZ PHE A 95 -3.222 10.885 -1.799 1.00 71.54 H new ATOM 1513 N LEU A 96 -1.772 5.072 3.983 1.00 25.12 N ATOM 1514 CA LEU A 96 -1.466 3.793 4.640 1.00 24.13 C ATOM 1515 C LEU A 96 -2.213 2.675 3.901 1.00 60.44 C ATOM 1516 O LEU A 96 -3.429 2.746 3.731 1.00 53.35 O ATOM 1517 CB LEU A 96 -1.925 3.852 6.117 1.00 4.14 C ATOM 1518 CG LEU A 96 -1.335 5.001 6.978 1.00 41.33 C ATOM 1519 CD1 LEU A 96 -2.076 5.110 8.308 1.00 25.05 C ATOM 1520 CD2 LEU A 96 0.181 4.837 7.201 1.00 22.52 C ATOM 0 H LEU A 96 -2.772 5.267 3.932 1.00 25.12 H new ATOM 0 HA LEU A 96 -0.394 3.599 4.612 1.00 24.13 H new ATOM 0 HB2 LEU A 96 -3.012 3.936 6.134 1.00 4.14 H new ATOM 0 HB3 LEU A 96 -1.671 2.904 6.592 1.00 4.14 H new ATOM 0 HG LEU A 96 -1.477 5.930 6.425 1.00 41.33 H new ATOM 0 HD11 LEU A 96 -1.648 5.921 8.898 1.00 25.05 H new ATOM 0 HD12 LEU A 96 -3.130 5.314 8.121 1.00 25.05 H new ATOM 0 HD13 LEU A 96 -1.979 4.173 8.856 1.00 25.05 H new ATOM 0 HD21 LEU A 96 0.551 5.663 7.808 1.00 22.52 H new ATOM 0 HD22 LEU A 96 0.373 3.895 7.714 1.00 22.52 H new ATOM 0 HD23 LEU A 96 0.692 4.837 6.238 1.00 22.52 H new ATOM 1532 N THR A 97 -1.481 1.663 3.451 1.00 3.12 N ATOM 1533 CA THR A 97 -2.027 0.542 2.672 1.00 62.53 C ATOM 1534 C THR A 97 -1.590 -0.804 3.271 1.00 45.34 C ATOM 1535 O THR A 97 -0.498 -0.922 3.826 1.00 22.23 O ATOM 1536 CB THR A 97 -1.545 0.637 1.181 1.00 54.43 C ATOM 1537 OG1 THR A 97 -1.786 1.961 0.682 1.00 13.10 O ATOM 1538 CG2 THR A 97 -2.251 -0.381 0.252 1.00 15.33 C ATOM 0 H THR A 97 -0.477 1.591 3.616 1.00 3.12 H new ATOM 0 HA THR A 97 -3.115 0.602 2.706 1.00 62.53 H new ATOM 0 HB THR A 97 -0.480 0.403 1.179 1.00 54.43 H new ATOM 0 HG1 THR A 97 -1.281 2.095 -0.147 1.00 13.10 H new ATOM 0 HG21 THR A 97 -1.876 -0.267 -0.765 1.00 15.33 H new ATOM 0 HG22 THR A 97 -2.049 -1.393 0.601 1.00 15.33 H new ATOM 0 HG23 THR A 97 -3.326 -0.201 0.265 1.00 15.33 H new ATOM 1546 N GLU A 98 -2.465 -1.811 3.150 1.00 71.21 N ATOM 1547 CA GLU A 98 -2.131 -3.208 3.434 1.00 61.52 C ATOM 1548 C GLU A 98 -2.356 -4.038 2.159 1.00 72.15 C ATOM 1549 O GLU A 98 -3.309 -3.793 1.409 1.00 11.23 O ATOM 1550 CB GLU A 98 -2.984 -3.783 4.601 1.00 32.51 C ATOM 1551 CG GLU A 98 -2.568 -5.213 5.032 1.00 21.51 C ATOM 1552 CD GLU A 98 -3.527 -5.878 6.031 1.00 65.24 C ATOM 1553 OE1 GLU A 98 -3.349 -5.713 7.252 1.00 71.34 O ATOM 1554 OE2 GLU A 98 -4.466 -6.575 5.593 1.00 54.50 O ATOM 0 H GLU A 98 -3.430 -1.676 2.850 1.00 71.21 H new ATOM 0 HA GLU A 98 -1.087 -3.259 3.743 1.00 61.52 H new ATOM 0 HB2 GLU A 98 -2.904 -3.117 5.460 1.00 32.51 H new ATOM 0 HB3 GLU A 98 -4.032 -3.794 4.302 1.00 32.51 H new ATOM 0 HG2 GLU A 98 -2.495 -5.841 4.144 1.00 21.51 H new ATOM 0 HG3 GLU A 98 -1.573 -5.171 5.475 1.00 21.51 H new ATOM 1561 N LEU A 99 -1.456 -4.987 1.904 1.00 65.00 N ATOM 1562 CA LEU A 99 -1.616 -6.004 0.856 1.00 52.31 C ATOM 1563 C LEU A 99 -1.661 -7.367 1.560 1.00 14.22 C ATOM 1564 O LEU A 99 -0.755 -7.676 2.338 1.00 61.13 O ATOM 1565 CB LEU A 99 -0.440 -5.953 -0.151 1.00 31.31 C ATOM 1566 CG LEU A 99 -0.180 -4.606 -0.895 1.00 22.50 C ATOM 1567 CD1 LEU A 99 1.000 -4.752 -1.878 1.00 75.32 C ATOM 1568 CD2 LEU A 99 -1.440 -4.083 -1.611 1.00 53.05 C ATOM 0 H LEU A 99 -0.583 -5.075 2.424 1.00 65.00 H new ATOM 0 HA LEU A 99 -2.529 -5.827 0.288 1.00 52.31 H new ATOM 0 HB2 LEU A 99 0.471 -6.222 0.383 1.00 31.31 H new ATOM 0 HB3 LEU A 99 -0.608 -6.724 -0.903 1.00 31.31 H new ATOM 0 HG LEU A 99 0.084 -3.862 -0.143 1.00 22.50 H new ATOM 0 HD11 LEU A 99 1.168 -3.804 -2.388 1.00 75.32 H new ATOM 0 HD12 LEU A 99 1.899 -5.032 -1.329 1.00 75.32 H new ATOM 0 HD13 LEU A 99 0.768 -5.523 -2.613 1.00 75.32 H new ATOM 0 HD21 LEU A 99 -1.209 -3.144 -2.114 1.00 53.05 H new ATOM 0 HD22 LEU A 99 -1.772 -4.816 -2.346 1.00 53.05 H new ATOM 0 HD23 LEU A 99 -2.232 -3.918 -0.880 1.00 53.05 H new ATOM 1580 N LEU A 100 -2.706 -8.165 1.302 1.00 12.23 N ATOM 1581 CA LEU A 100 -2.929 -9.435 2.015 1.00 14.31 C ATOM 1582 C LEU A 100 -3.225 -10.561 1.002 1.00 41.53 C ATOM 1583 O LEU A 100 -4.332 -10.642 0.485 1.00 74.05 O ATOM 1584 CB LEU A 100 -4.101 -9.245 3.024 1.00 33.25 C ATOM 1585 CG LEU A 100 -4.438 -10.455 3.953 1.00 54.41 C ATOM 1586 CD1 LEU A 100 -3.252 -10.812 4.873 1.00 70.22 C ATOM 1587 CD2 LEU A 100 -5.726 -10.180 4.764 1.00 21.15 C ATOM 0 H LEU A 100 -3.416 -7.953 0.601 1.00 12.23 H new ATOM 0 HA LEU A 100 -2.036 -9.721 2.570 1.00 14.31 H new ATOM 0 HB2 LEU A 100 -3.869 -8.387 3.655 1.00 33.25 H new ATOM 0 HB3 LEU A 100 -4.998 -8.992 2.458 1.00 33.25 H new ATOM 0 HG LEU A 100 -4.621 -11.323 3.320 1.00 54.41 H new ATOM 0 HD11 LEU A 100 -3.523 -11.658 5.505 1.00 70.22 H new ATOM 0 HD12 LEU A 100 -2.387 -11.076 4.265 1.00 70.22 H new ATOM 0 HD13 LEU A 100 -3.007 -9.955 5.500 1.00 70.22 H new ATOM 0 HD21 LEU A 100 -5.942 -11.035 5.404 1.00 21.15 H new ATOM 0 HD22 LEU A 100 -5.585 -9.292 5.380 1.00 21.15 H new ATOM 0 HD23 LEU A 100 -6.559 -10.019 4.080 1.00 21.15 H new ATOM 1599 N LEU A 101 -2.237 -11.448 0.752 1.00 5.40 N ATOM 1600 CA LEU A 101 -2.351 -12.517 -0.255 1.00 13.20 C ATOM 1601 C LEU A 101 -2.715 -13.821 0.477 1.00 54.30 C ATOM 1602 O LEU A 101 -1.876 -14.408 1.163 1.00 41.22 O ATOM 1603 CB LEU A 101 -1.016 -12.681 -1.046 1.00 73.23 C ATOM 1604 CG LEU A 101 -0.974 -13.826 -2.118 1.00 1.45 C ATOM 1605 CD1 LEU A 101 -1.887 -13.523 -3.323 1.00 64.45 C ATOM 1606 CD2 LEU A 101 0.476 -14.124 -2.555 1.00 73.01 C ATOM 0 H LEU A 101 -1.343 -11.440 1.242 1.00 5.40 H new ATOM 0 HA LEU A 101 -3.125 -12.265 -0.980 1.00 13.20 H new ATOM 0 HB2 LEU A 101 -0.797 -11.737 -1.546 1.00 73.23 H new ATOM 0 HB3 LEU A 101 -0.214 -12.855 -0.329 1.00 73.23 H new ATOM 0 HG LEU A 101 -1.368 -14.728 -1.649 1.00 1.45 H new ATOM 0 HD11 LEU A 101 -1.827 -14.342 -4.040 1.00 64.45 H new ATOM 0 HD12 LEU A 101 -2.916 -13.415 -2.981 1.00 64.45 H new ATOM 0 HD13 LEU A 101 -1.564 -12.598 -3.801 1.00 64.45 H new ATOM 0 HD21 LEU A 101 0.475 -14.921 -3.298 1.00 73.01 H new ATOM 0 HD22 LEU A 101 0.918 -13.226 -2.987 1.00 73.01 H new ATOM 0 HD23 LEU A 101 1.060 -14.436 -1.689 1.00 73.01 H new ATOM 1618 N GLU A 102 -3.961 -14.253 0.295 1.00 40.45 N ATOM 1619 CA GLU A 102 -4.570 -15.412 0.964 1.00 53.20 C ATOM 1620 C GLU A 102 -3.858 -16.746 0.624 1.00 30.11 C ATOM 1621 O GLU A 102 -3.326 -16.890 -0.475 1.00 63.02 O ATOM 1622 CB GLU A 102 -6.059 -15.459 0.548 1.00 33.22 C ATOM 1623 CG GLU A 102 -6.883 -14.252 1.042 1.00 43.43 C ATOM 1624 CD GLU A 102 -7.024 -14.206 2.574 1.00 41.13 C ATOM 1625 OE1 GLU A 102 -7.980 -14.820 3.109 1.00 60.00 O ATOM 1626 OE2 GLU A 102 -6.187 -13.577 3.255 1.00 73.12 O ATOM 0 H GLU A 102 -4.604 -13.790 -0.347 1.00 40.45 H new ATOM 0 HA GLU A 102 -4.468 -15.294 2.043 1.00 53.20 H new ATOM 0 HB2 GLU A 102 -6.121 -15.509 -0.539 1.00 33.22 H new ATOM 0 HB3 GLU A 102 -6.506 -16.375 0.935 1.00 33.22 H new ATOM 0 HG2 GLU A 102 -6.411 -13.332 0.698 1.00 43.43 H new ATOM 0 HG3 GLU A 102 -7.875 -14.288 0.592 1.00 43.43 H new ATOM 1633 N PRO A 103 -3.830 -17.732 1.584 1.00 33.53 N ATOM 1634 CA PRO A 103 -3.151 -19.036 1.381 1.00 12.24 C ATOM 1635 C PRO A 103 -3.942 -19.997 0.476 1.00 72.02 C ATOM 1636 O PRO A 103 -3.346 -20.859 -0.180 1.00 31.40 O ATOM 1637 CB PRO A 103 -3.022 -19.582 2.822 1.00 74.42 C ATOM 1638 CG PRO A 103 -4.199 -19.013 3.550 1.00 52.31 C ATOM 1639 CD PRO A 103 -4.434 -17.642 2.949 1.00 2.31 C ATOM 0 HA PRO A 103 -2.197 -18.930 0.865 1.00 12.24 H new ATOM 0 HB2 PRO A 103 -3.037 -20.672 2.835 1.00 74.42 H new ATOM 0 HB3 PRO A 103 -2.084 -19.270 3.281 1.00 74.42 H new ATOM 0 HG2 PRO A 103 -5.077 -19.648 3.430 1.00 52.31 H new ATOM 0 HG3 PRO A 103 -4.000 -18.942 4.619 1.00 52.31 H new ATOM 0 HD2 PRO A 103 -5.497 -17.406 2.899 1.00 2.31 H new ATOM 0 HD3 PRO A 103 -3.961 -16.860 3.543 1.00 2.31 H new ATOM 1647 N GLY A 104 -5.281 -19.845 0.459 1.00 53.13 N ATOM 1648 CA GLY A 104 -6.160 -20.716 -0.316 1.00 60.31 C ATOM 1649 C GLY A 104 -5.954 -20.563 -1.812 1.00 55.25 C ATOM 1650 O GLY A 104 -5.347 -21.432 -2.460 1.00 44.32 O ATOM 0 H GLY A 104 -5.772 -19.119 0.980 1.00 53.13 H new ATOM 0 HA2 GLY A 104 -5.982 -21.753 -0.032 1.00 60.31 H new ATOM 0 HA3 GLY A 104 -7.198 -20.492 -0.070 1.00 60.31 H new ATOM 1654 N ASN A 105 -6.437 -19.442 -2.354 1.00 52.45 N ATOM 1655 CA ASN A 105 -6.305 -19.102 -3.781 1.00 54.41 C ATOM 1656 C ASN A 105 -5.363 -17.906 -3.941 1.00 51.33 C ATOM 1657 O ASN A 105 -4.989 -17.266 -2.944 1.00 32.41 O ATOM 1658 CB ASN A 105 -7.700 -18.783 -4.384 1.00 23.13 C ATOM 1659 CG ASN A 105 -8.673 -19.973 -4.325 1.00 5.25 C ATOM 1660 OD1 ASN A 105 -8.263 -21.137 -4.399 1.00 61.51 O ATOM 1661 ND2 ASN A 105 -9.968 -19.701 -4.203 1.00 31.03 N ATOM 0 H ASN A 105 -6.936 -18.736 -1.813 1.00 52.45 H new ATOM 0 HA ASN A 105 -5.885 -19.953 -4.317 1.00 54.41 H new ATOM 0 HB2 ASN A 105 -8.136 -17.939 -3.849 1.00 23.13 H new ATOM 0 HB3 ASN A 105 -7.578 -18.473 -5.422 1.00 23.13 H new ATOM 0 HD21 ASN A 105 -10.648 -20.461 -4.169 1.00 31.03 H new ATOM 0 HD22 ASN A 105 -10.282 -18.732 -4.144 1.00 31.03 H new ATOM 1668 N SER A 106 -4.976 -17.615 -5.200 1.00 1.30 N ATOM 1669 CA SER A 106 -4.142 -16.452 -5.552 1.00 40.41 C ATOM 1670 C SER A 106 -5.005 -15.172 -5.511 1.00 50.32 C ATOM 1671 O SER A 106 -5.409 -14.631 -6.540 1.00 31.44 O ATOM 1672 CB SER A 106 -3.505 -16.660 -6.955 1.00 75.44 C ATOM 1673 OG SER A 106 -2.878 -17.924 -7.061 1.00 1.33 O ATOM 0 H SER A 106 -5.236 -18.185 -6.005 1.00 1.30 H new ATOM 0 HA SER A 106 -3.332 -16.345 -4.830 1.00 40.41 H new ATOM 0 HB2 SER A 106 -4.275 -16.570 -7.721 1.00 75.44 H new ATOM 0 HB3 SER A 106 -2.774 -15.874 -7.143 1.00 75.44 H new ATOM 0 HG SER A 106 -2.490 -18.023 -7.955 1.00 1.33 H new ATOM 1679 N GLU A 107 -5.338 -14.750 -4.292 1.00 72.42 N ATOM 1680 CA GLU A 107 -6.226 -13.617 -4.020 1.00 30.44 C ATOM 1681 C GLU A 107 -5.523 -12.649 -3.064 1.00 42.13 C ATOM 1682 O GLU A 107 -5.071 -13.056 -2.004 1.00 31.43 O ATOM 1683 CB GLU A 107 -7.535 -14.171 -3.399 1.00 42.33 C ATOM 1684 CG GLU A 107 -8.573 -13.106 -3.018 1.00 62.13 C ATOM 1685 CD GLU A 107 -9.850 -13.701 -2.400 1.00 22.31 C ATOM 1686 OE1 GLU A 107 -9.843 -14.010 -1.192 1.00 62.01 O ATOM 1687 OE2 GLU A 107 -10.860 -13.871 -3.120 1.00 40.33 O ATOM 0 H GLU A 107 -4.990 -15.197 -3.444 1.00 72.42 H new ATOM 0 HA GLU A 107 -6.467 -13.074 -4.934 1.00 30.44 H new ATOM 0 HB2 GLU A 107 -7.990 -14.864 -4.107 1.00 42.33 H new ATOM 0 HB3 GLU A 107 -7.282 -14.746 -2.508 1.00 42.33 H new ATOM 0 HG2 GLU A 107 -8.125 -12.408 -2.311 1.00 62.13 H new ATOM 0 HG3 GLU A 107 -8.839 -12.533 -3.906 1.00 62.13 H new ATOM 1694 N MET A 108 -5.420 -11.379 -3.460 1.00 73.50 N ATOM 1695 CA MET A 108 -4.794 -10.321 -2.652 1.00 14.15 C ATOM 1696 C MET A 108 -5.847 -9.247 -2.327 1.00 54.22 C ATOM 1697 O MET A 108 -6.552 -8.777 -3.215 1.00 65.32 O ATOM 1698 CB MET A 108 -3.585 -9.691 -3.397 1.00 22.25 C ATOM 1699 CG MET A 108 -2.824 -8.626 -2.584 1.00 64.12 C ATOM 1700 SD MET A 108 -1.368 -7.991 -3.439 1.00 63.41 S ATOM 1701 CE MET A 108 -0.382 -9.480 -3.625 1.00 11.53 C ATOM 0 H MET A 108 -5.771 -11.049 -4.359 1.00 73.50 H new ATOM 0 HA MET A 108 -4.418 -10.756 -1.726 1.00 14.15 H new ATOM 0 HB2 MET A 108 -2.891 -10.484 -3.674 1.00 22.25 H new ATOM 0 HB3 MET A 108 -3.939 -9.239 -4.324 1.00 22.25 H new ATOM 0 HG2 MET A 108 -3.497 -7.798 -2.361 1.00 64.12 H new ATOM 0 HG3 MET A 108 -2.519 -9.055 -1.629 1.00 64.12 H new ATOM 0 HE1 MET A 108 0.543 -9.377 -3.058 1.00 11.53 H new ATOM 0 HE2 MET A 108 -0.943 -10.337 -3.252 1.00 11.53 H new ATOM 0 HE3 MET A 108 -0.147 -9.631 -4.678 1.00 11.53 H new ATOM 1711 N GLN A 109 -5.940 -8.873 -1.049 1.00 5.04 N ATOM 1712 CA GLN A 109 -6.839 -7.824 -0.561 1.00 4.03 C ATOM 1713 C GLN A 109 -6.004 -6.545 -0.413 1.00 32.43 C ATOM 1714 O GLN A 109 -4.912 -6.590 0.158 1.00 35.32 O ATOM 1715 CB GLN A 109 -7.471 -8.263 0.794 1.00 50.34 C ATOM 1716 CG GLN A 109 -8.256 -9.594 0.709 1.00 74.12 C ATOM 1717 CD GLN A 109 -8.926 -10.004 2.022 1.00 41.42 C ATOM 1718 OE1 GLN A 109 -8.348 -10.727 2.837 1.00 74.23 O ATOM 1719 NE2 GLN A 109 -10.148 -9.541 2.238 1.00 52.11 N ATOM 0 H GLN A 109 -5.382 -9.299 -0.309 1.00 5.04 H new ATOM 0 HA GLN A 109 -7.662 -7.644 -1.253 1.00 4.03 H new ATOM 0 HB2 GLN A 109 -6.681 -8.364 1.538 1.00 50.34 H new ATOM 0 HB3 GLN A 109 -8.141 -7.478 1.144 1.00 50.34 H new ATOM 0 HG2 GLN A 109 -9.019 -9.506 -0.065 1.00 74.12 H new ATOM 0 HG3 GLN A 109 -7.576 -10.386 0.397 1.00 74.12 H new ATOM 0 HE21 GLN A 109 -10.598 -8.945 1.543 1.00 52.11 H new ATOM 0 HE22 GLN A 109 -10.639 -9.780 3.099 1.00 52.11 H new ATOM 1728 N ILE A 110 -6.483 -5.434 -0.986 1.00 45.10 N ATOM 1729 CA ILE A 110 -5.800 -4.128 -0.926 1.00 35.13 C ATOM 1730 C ILE A 110 -6.656 -3.205 -0.032 1.00 44.34 C ATOM 1731 O ILE A 110 -7.794 -2.896 -0.384 1.00 74.14 O ATOM 1732 CB ILE A 110 -5.605 -3.471 -2.367 1.00 33.21 C ATOM 1733 CG1 ILE A 110 -4.655 -4.316 -3.303 1.00 23.32 C ATOM 1734 CG2 ILE A 110 -5.070 -2.012 -2.236 1.00 34.14 C ATOM 1735 CD1 ILE A 110 -5.197 -5.654 -3.808 1.00 62.32 C ATOM 0 H ILE A 110 -7.359 -5.412 -1.508 1.00 45.10 H new ATOM 0 HA ILE A 110 -4.799 -4.267 -0.518 1.00 35.13 H new ATOM 0 HB ILE A 110 -6.588 -3.457 -2.838 1.00 33.21 H new ATOM 0 HG12 ILE A 110 -4.399 -3.705 -4.168 1.00 23.32 H new ATOM 0 HG13 ILE A 110 -3.728 -4.507 -2.763 1.00 23.32 H new ATOM 0 HG21 ILE A 110 -4.943 -1.580 -3.229 1.00 34.14 H new ATOM 0 HG22 ILE A 110 -5.782 -1.413 -1.668 1.00 34.14 H new ATOM 0 HG23 ILE A 110 -4.110 -2.021 -1.719 1.00 34.14 H new ATOM 0 HD11 ILE A 110 -4.449 -6.134 -4.439 1.00 62.32 H new ATOM 0 HD12 ILE A 110 -5.423 -6.299 -2.959 1.00 62.32 H new ATOM 0 HD13 ILE A 110 -6.105 -5.484 -4.386 1.00 62.32 H new ATOM 1747 N SER A 111 -6.114 -2.787 1.124 1.00 45.43 N ATOM 1748 CA SER A 111 -6.808 -1.890 2.064 1.00 13.21 C ATOM 1749 C SER A 111 -6.147 -0.514 2.024 1.00 73.35 C ATOM 1750 O SER A 111 -5.031 -0.351 2.511 1.00 53.03 O ATOM 1751 CB SER A 111 -6.758 -2.491 3.484 1.00 43.41 C ATOM 1752 OG SER A 111 -7.349 -3.774 3.500 1.00 2.10 O ATOM 0 H SER A 111 -5.182 -3.062 1.434 1.00 45.43 H new ATOM 0 HA SER A 111 -7.854 -1.781 1.778 1.00 13.21 H new ATOM 0 HB2 SER A 111 -5.724 -2.557 3.821 1.00 43.41 H new ATOM 0 HB3 SER A 111 -7.280 -1.835 4.181 1.00 43.41 H new ATOM 0 HG SER A 111 -7.308 -4.142 4.407 1.00 2.10 H new ATOM 1758 N VAL A 112 -6.836 0.460 1.424 1.00 42.02 N ATOM 1759 CA VAL A 112 -6.337 1.832 1.281 1.00 12.04 C ATOM 1760 C VAL A 112 -7.008 2.712 2.348 1.00 3.03 C ATOM 1761 O VAL A 112 -8.235 2.766 2.443 1.00 20.54 O ATOM 1762 CB VAL A 112 -6.616 2.407 -0.161 1.00 21.30 C ATOM 1763 CG1 VAL A 112 -6.057 3.842 -0.313 1.00 25.51 C ATOM 1764 CG2 VAL A 112 -6.041 1.461 -1.240 1.00 10.12 C ATOM 0 H VAL A 112 -7.762 0.319 1.021 1.00 42.02 H new ATOM 0 HA VAL A 112 -5.256 1.830 1.420 1.00 12.04 H new ATOM 0 HB VAL A 112 -7.695 2.465 -0.301 1.00 21.30 H new ATOM 0 HG11 VAL A 112 -6.266 4.209 -1.318 1.00 25.51 H new ATOM 0 HG12 VAL A 112 -6.531 4.497 0.418 1.00 25.51 H new ATOM 0 HG13 VAL A 112 -4.980 3.832 -0.147 1.00 25.51 H new ATOM 0 HG21 VAL A 112 -6.242 1.872 -2.229 1.00 10.12 H new ATOM 0 HG22 VAL A 112 -4.965 1.361 -1.100 1.00 10.12 H new ATOM 0 HG23 VAL A 112 -6.510 0.481 -1.152 1.00 10.12 H new ATOM 1774 N LYS A 113 -6.185 3.348 3.177 1.00 54.51 N ATOM 1775 CA LYS A 113 -6.619 4.225 4.258 1.00 54.32 C ATOM 1776 C LYS A 113 -5.656 5.419 4.284 1.00 3.42 C ATOM 1777 O LYS A 113 -4.519 5.285 4.727 1.00 52.53 O ATOM 1778 CB LYS A 113 -6.551 3.409 5.588 1.00 63.25 C ATOM 1779 CG LYS A 113 -6.707 4.211 6.887 1.00 41.55 C ATOM 1780 CD LYS A 113 -6.468 3.352 8.153 1.00 2.42 C ATOM 1781 CE LYS A 113 -7.439 2.169 8.275 1.00 32.53 C ATOM 1782 NZ LYS A 113 -7.283 1.450 9.564 1.00 60.31 N ATOM 0 H LYS A 113 -5.170 3.265 3.113 1.00 54.51 H new ATOM 0 HA LYS A 113 -7.638 4.588 4.124 1.00 54.32 H new ATOM 0 HB2 LYS A 113 -7.329 2.646 5.561 1.00 63.25 H new ATOM 0 HB3 LYS A 113 -5.594 2.887 5.621 1.00 63.25 H new ATOM 0 HG2 LYS A 113 -6.005 5.045 6.881 1.00 41.55 H new ATOM 0 HG3 LYS A 113 -7.709 4.638 6.927 1.00 41.55 H new ATOM 0 HD2 LYS A 113 -5.446 2.974 8.140 1.00 2.42 H new ATOM 0 HD3 LYS A 113 -6.563 3.984 9.036 1.00 2.42 H new ATOM 0 HE2 LYS A 113 -8.463 2.530 8.183 1.00 32.53 H new ATOM 0 HE3 LYS A 113 -7.271 1.476 7.451 1.00 32.53 H new ATOM 0 HZ1 LYS A 113 -8.199 1.052 9.853 1.00 60.31 H new ATOM 0 HZ2 LYS A 113 -6.592 0.681 9.451 1.00 60.31 H new ATOM 0 HZ3 LYS A 113 -6.948 2.112 10.293 1.00 60.31 H new ATOM 1796 N GLN A 114 -6.096 6.578 3.777 1.00 41.32 N ATOM 1797 CA GLN A 114 -5.313 7.829 3.865 1.00 3.40 C ATOM 1798 C GLN A 114 -5.878 8.728 4.968 1.00 50.02 C ATOM 1799 O GLN A 114 -6.964 8.473 5.504 1.00 22.13 O ATOM 1800 CB GLN A 114 -5.240 8.587 2.493 1.00 24.33 C ATOM 1801 CG GLN A 114 -6.579 8.790 1.743 1.00 21.45 C ATOM 1802 CD GLN A 114 -6.951 7.624 0.817 1.00 44.44 C ATOM 1803 OE1 GLN A 114 -7.583 6.660 1.232 1.00 71.23 O ATOM 1804 NE2 GLN A 114 -6.562 7.710 -0.446 1.00 24.33 N ATOM 0 H GLN A 114 -6.991 6.681 3.300 1.00 41.32 H new ATOM 0 HA GLN A 114 -4.288 7.560 4.122 1.00 3.40 H new ATOM 0 HB2 GLN A 114 -4.795 9.567 2.668 1.00 24.33 H new ATOM 0 HB3 GLN A 114 -4.561 8.041 1.838 1.00 24.33 H new ATOM 0 HG2 GLN A 114 -7.376 8.931 2.473 1.00 21.45 H new ATOM 0 HG3 GLN A 114 -6.520 9.705 1.154 1.00 21.45 H new ATOM 0 HE21 GLN A 114 -6.037 8.525 -0.764 1.00 24.33 H new ATOM 0 HE22 GLN A 114 -6.788 6.962 -1.101 1.00 24.33 H new ATOM 1813 N ASN A 115 -5.099 9.770 5.291 1.00 23.24 N ATOM 1814 CA ASN A 115 -5.406 10.755 6.338 1.00 21.23 C ATOM 1815 C ASN A 115 -6.755 11.445 6.084 1.00 14.21 C ATOM 1816 O ASN A 115 -7.551 11.640 7.004 1.00 40.44 O ATOM 1817 CB ASN A 115 -4.253 11.795 6.455 1.00 53.41 C ATOM 1818 CG ASN A 115 -4.020 12.679 5.213 1.00 31.10 C ATOM 1819 OD1 ASN A 115 -4.085 12.120 4.003 1.00 2.34 O flip ATOM 1820 ND2 ASN A 115 -3.715 13.864 5.341 1.00 34.10 N flip ATOM 0 H ASN A 115 -4.214 9.956 4.819 1.00 23.24 H new ATOM 0 HA ASN A 115 -5.490 10.226 7.287 1.00 21.23 H new ATOM 0 HB2 ASN A 115 -4.459 12.444 7.306 1.00 53.41 H new ATOM 0 HB3 ASN A 115 -3.329 11.262 6.677 1.00 53.41 H new ATOM 0 HD21 ASN A 115 -3.668 14.281 6.271 1.00 34.10 H new ATOM 0 HD22 ASN A 115 -3.509 14.429 4.517 1.00 34.10 H new ATOM 1827 N GLU A 116 -6.996 11.793 4.812 1.00 42.13 N ATOM 1828 CA GLU A 116 -8.259 12.371 4.341 1.00 1.40 C ATOM 1829 C GLU A 116 -8.645 11.663 3.033 1.00 73.24 C ATOM 1830 O GLU A 116 -7.939 11.819 2.018 1.00 72.34 O ATOM 1831 CB GLU A 116 -8.116 13.904 4.109 1.00 72.43 C ATOM 1832 CG GLU A 116 -7.694 14.711 5.349 1.00 15.31 C ATOM 1833 CD GLU A 116 -7.425 16.186 5.040 1.00 75.43 C ATOM 1834 OE1 GLU A 116 -6.304 16.511 4.599 1.00 44.03 O ATOM 1835 OE2 GLU A 116 -8.338 17.026 5.217 1.00 14.34 O ATOM 0 H GLU A 116 -6.306 11.678 4.070 1.00 42.13 H new ATOM 0 HA GLU A 116 -9.035 12.227 5.092 1.00 1.40 H new ATOM 0 HB2 GLU A 116 -7.384 14.070 3.319 1.00 72.43 H new ATOM 0 HB3 GLU A 116 -9.068 14.292 3.748 1.00 72.43 H new ATOM 0 HG2 GLU A 116 -8.476 14.641 6.105 1.00 15.31 H new ATOM 0 HG3 GLU A 116 -6.796 14.266 5.777 1.00 15.31 H new ATOM 1842 N ALA A 117 -9.736 10.874 3.054 1.00 72.25 N ATOM 1843 CA ALA A 117 -10.190 10.142 1.874 1.00 33.35 C ATOM 1844 C ALA A 117 -10.870 11.123 0.912 1.00 30.22 C ATOM 1845 O ALA A 117 -11.937 11.674 1.209 1.00 1.24 O ATOM 1846 CB ALA A 117 -11.152 9.018 2.292 1.00 11.13 C ATOM 0 H ALA A 117 -10.315 10.732 3.881 1.00 72.25 H new ATOM 0 HA ALA A 117 -9.341 9.683 1.368 1.00 33.35 H new ATOM 0 HB1 ALA A 117 -11.486 8.477 1.407 1.00 11.13 H new ATOM 0 HB2 ALA A 117 -10.639 8.331 2.965 1.00 11.13 H new ATOM 0 HB3 ALA A 117 -12.014 9.448 2.801 1.00 11.13 H new ATOM 1852 N ARG A 118 -10.205 11.371 -0.212 1.00 14.12 N ATOM 1853 CA ARG A 118 -10.719 12.181 -1.326 1.00 74.31 C ATOM 1854 C ARG A 118 -10.907 11.273 -2.524 1.00 21.25 C ATOM 1855 O ARG A 118 -10.111 10.363 -2.702 1.00 72.13 O ATOM 1856 CB ARG A 118 -9.704 13.312 -1.656 1.00 43.03 C ATOM 1857 CG ARG A 118 -9.517 14.297 -0.505 1.00 3.55 C ATOM 1858 CD ARG A 118 -8.321 15.243 -0.640 1.00 64.25 C ATOM 1859 NE ARG A 118 -8.180 16.060 0.575 1.00 21.34 N ATOM 1860 CZ ARG A 118 -7.195 16.934 0.823 1.00 3.30 C ATOM 1861 NH1 ARG A 118 -6.227 17.145 -0.065 1.00 51.00 N ATOM 1862 NH2 ARG A 118 -7.187 17.583 1.976 1.00 12.34 N ATOM 0 H ARG A 118 -9.268 11.007 -0.384 1.00 14.12 H new ATOM 0 HA ARG A 118 -11.671 12.640 -1.060 1.00 74.31 H new ATOM 0 HB2 ARG A 118 -8.741 12.867 -1.907 1.00 43.03 H new ATOM 0 HB3 ARG A 118 -10.045 13.853 -2.539 1.00 43.03 H new ATOM 0 HG2 ARG A 118 -10.423 14.895 -0.410 1.00 3.55 H new ATOM 0 HG3 ARG A 118 -9.409 13.732 0.421 1.00 3.55 H new ATOM 0 HD2 ARG A 118 -7.410 14.668 -0.808 1.00 64.25 H new ATOM 0 HD3 ARG A 118 -8.455 15.889 -1.508 1.00 64.25 H new ATOM 0 HE ARG A 118 -8.896 15.952 1.293 1.00 21.34 H new ATOM 0 HH11 ARG A 118 -6.227 16.638 -0.950 1.00 51.00 H new ATOM 0 HH12 ARG A 118 -5.484 17.814 0.139 1.00 51.00 H new ATOM 0 HH21 ARG A 118 -7.924 17.415 2.661 1.00 12.34 H new ATOM 0 HH22 ARG A 118 -6.444 18.252 2.180 1.00 12.34 H new ATOM 1876 N THR A 119 -11.916 11.542 -3.364 1.00 53.12 N ATOM 1877 CA THR A 119 -12.107 10.806 -4.626 1.00 51.24 C ATOM 1878 C THR A 119 -10.862 10.967 -5.534 1.00 12.10 C ATOM 1879 O THR A 119 -10.497 10.057 -6.281 1.00 54.43 O ATOM 1880 CB THR A 119 -13.407 11.280 -5.361 1.00 23.15 C ATOM 1881 OG1 THR A 119 -14.540 11.133 -4.481 1.00 12.04 O ATOM 1882 CG2 THR A 119 -13.690 10.498 -6.657 1.00 31.24 C ATOM 0 H THR A 119 -12.615 12.265 -3.194 1.00 53.12 H new ATOM 0 HA THR A 119 -12.228 9.748 -4.394 1.00 51.24 H new ATOM 0 HB THR A 119 -13.247 12.323 -5.633 1.00 23.15 H new ATOM 0 HG1 THR A 119 -15.352 11.431 -4.941 1.00 12.04 H new ATOM 0 HG21 THR A 119 -14.603 10.875 -7.117 1.00 31.24 H new ATOM 0 HG22 THR A 119 -12.857 10.625 -7.348 1.00 31.24 H new ATOM 0 HG23 THR A 119 -13.811 9.440 -6.425 1.00 31.24 H new ATOM 1890 N GLU A 120 -10.161 12.110 -5.375 1.00 72.44 N ATOM 1891 CA GLU A 120 -8.967 12.426 -6.169 1.00 62.01 C ATOM 1892 C GLU A 120 -7.762 11.605 -5.685 1.00 41.01 C ATOM 1893 O GLU A 120 -7.184 10.836 -6.468 1.00 2.31 O ATOM 1894 CB GLU A 120 -8.669 13.941 -6.065 1.00 70.44 C ATOM 1895 CG GLU A 120 -7.455 14.431 -6.877 1.00 24.31 C ATOM 1896 CD GLU A 120 -7.526 14.061 -8.373 1.00 32.44 C ATOM 1897 OE1 GLU A 120 -8.385 14.608 -9.088 1.00 62.42 O ATOM 1898 OE2 GLU A 120 -6.719 13.222 -8.840 1.00 64.31 O ATOM 0 H GLU A 120 -10.409 12.831 -4.697 1.00 72.44 H new ATOM 0 HA GLU A 120 -9.152 12.167 -7.211 1.00 62.01 H new ATOM 0 HB2 GLU A 120 -9.551 14.491 -6.393 1.00 70.44 H new ATOM 0 HB3 GLU A 120 -8.509 14.192 -5.016 1.00 70.44 H new ATOM 0 HG2 GLU A 120 -7.377 15.514 -6.782 1.00 24.31 H new ATOM 0 HG3 GLU A 120 -6.546 14.008 -6.449 1.00 24.31 H new ATOM 1905 N THR A 121 -7.434 11.719 -4.378 1.00 1.22 N ATOM 1906 CA THR A 121 -6.281 11.009 -3.793 1.00 42.41 C ATOM 1907 C THR A 121 -6.467 9.483 -3.885 1.00 54.43 C ATOM 1908 O THR A 121 -5.538 8.764 -4.242 1.00 71.54 O ATOM 1909 CB THR A 121 -6.036 11.426 -2.302 1.00 3.22 C ATOM 1910 OG1 THR A 121 -7.203 11.166 -1.502 1.00 45.14 O ATOM 1911 CG2 THR A 121 -5.656 12.913 -2.175 1.00 63.33 C ATOM 0 H THR A 121 -7.951 12.294 -3.713 1.00 1.22 H new ATOM 0 HA THR A 121 -5.404 11.295 -4.374 1.00 42.41 H new ATOM 0 HB THR A 121 -5.202 10.825 -1.940 1.00 3.22 H new ATOM 0 HG1 THR A 121 -7.030 11.431 -0.575 1.00 45.14 H new ATOM 0 HG21 THR A 121 -5.495 13.159 -1.125 1.00 63.33 H new ATOM 0 HG22 THR A 121 -4.742 13.104 -2.737 1.00 63.33 H new ATOM 0 HG23 THR A 121 -6.462 13.530 -2.573 1.00 63.33 H new ATOM 1919 N LEU A 122 -7.699 9.037 -3.585 1.00 24.44 N ATOM 1920 CA LEU A 122 -8.080 7.619 -3.575 1.00 63.03 C ATOM 1921 C LEU A 122 -7.908 6.977 -4.964 1.00 32.34 C ATOM 1922 O LEU A 122 -7.133 6.033 -5.105 1.00 34.01 O ATOM 1923 CB LEU A 122 -9.551 7.479 -3.081 1.00 31.22 C ATOM 1924 CG LEU A 122 -10.010 6.066 -2.637 1.00 35.31 C ATOM 1925 CD1 LEU A 122 -9.184 5.563 -1.437 1.00 53.01 C ATOM 1926 CD2 LEU A 122 -11.521 6.045 -2.327 1.00 14.24 C ATOM 0 H LEU A 122 -8.467 9.662 -3.340 1.00 24.44 H new ATOM 0 HA LEU A 122 -7.418 7.088 -2.891 1.00 63.03 H new ATOM 0 HB2 LEU A 122 -9.694 8.161 -2.243 1.00 31.22 H new ATOM 0 HB3 LEU A 122 -10.211 7.814 -3.881 1.00 31.22 H new ATOM 0 HG LEU A 122 -9.833 5.382 -3.467 1.00 35.31 H new ATOM 0 HD11 LEU A 122 -9.529 4.570 -1.148 1.00 53.01 H new ATOM 0 HD12 LEU A 122 -8.131 5.515 -1.715 1.00 53.01 H new ATOM 0 HD13 LEU A 122 -9.307 6.248 -0.598 1.00 53.01 H new ATOM 0 HD21 LEU A 122 -11.815 5.042 -2.018 1.00 14.24 H new ATOM 0 HD22 LEU A 122 -11.738 6.750 -1.524 1.00 14.24 H new ATOM 0 HD23 LEU A 122 -12.079 6.328 -3.219 1.00 14.24 H new ATOM 1938 N ASN A 123 -8.559 7.555 -6.000 1.00 20.05 N ATOM 1939 CA ASN A 123 -8.585 6.944 -7.354 1.00 22.42 C ATOM 1940 C ASN A 123 -7.186 6.933 -7.985 1.00 12.15 C ATOM 1941 O ASN A 123 -6.778 5.939 -8.603 1.00 32.32 O ATOM 1942 CB ASN A 123 -9.574 7.677 -8.304 1.00 74.33 C ATOM 1943 CG ASN A 123 -11.043 7.509 -7.913 1.00 31.10 C ATOM 1944 OD1 ASN A 123 -11.425 6.553 -7.231 1.00 25.14 O ATOM 1945 ND2 ASN A 123 -11.885 8.410 -8.383 1.00 0.02 N ATOM 0 H ASN A 123 -9.069 8.435 -5.928 1.00 20.05 H new ATOM 0 HA ASN A 123 -8.928 5.918 -7.224 1.00 22.42 H new ATOM 0 HB2 ASN A 123 -9.330 8.739 -8.318 1.00 74.33 H new ATOM 0 HB3 ASN A 123 -9.433 7.304 -9.319 1.00 74.33 H new ATOM 0 HD21 ASN A 123 -12.882 8.328 -8.186 1.00 0.02 H new ATOM 0 HD22 ASN A 123 -11.538 9.189 -8.943 1.00 0.02 H new ATOM 1952 N SER A 124 -6.461 8.042 -7.783 1.00 51.23 N ATOM 1953 CA SER A 124 -5.118 8.241 -8.333 1.00 23.23 C ATOM 1954 C SER A 124 -4.114 7.239 -7.715 1.00 4.30 C ATOM 1955 O SER A 124 -3.346 6.584 -8.434 1.00 12.23 O ATOM 1956 CB SER A 124 -4.681 9.701 -8.070 1.00 3.23 C ATOM 1957 OG SER A 124 -3.459 10.004 -8.695 1.00 73.42 O ATOM 0 H SER A 124 -6.795 8.831 -7.229 1.00 51.23 H new ATOM 0 HA SER A 124 -5.135 8.058 -9.407 1.00 23.23 H new ATOM 0 HB2 SER A 124 -5.452 10.381 -8.432 1.00 3.23 H new ATOM 0 HB3 SER A 124 -4.590 9.865 -6.996 1.00 3.23 H new ATOM 0 HG SER A 124 -3.296 10.969 -8.644 1.00 73.42 H new ATOM 1963 N PHE A 125 -4.190 7.095 -6.378 1.00 63.30 N ATOM 1964 CA PHE A 125 -3.274 6.253 -5.587 1.00 2.53 C ATOM 1965 C PHE A 125 -3.467 4.757 -5.896 1.00 42.24 C ATOM 1966 O PHE A 125 -2.491 4.031 -6.110 1.00 62.55 O ATOM 1967 CB PHE A 125 -3.501 6.520 -4.077 1.00 62.20 C ATOM 1968 CG PHE A 125 -2.615 5.714 -3.142 1.00 73.12 C ATOM 1969 CD1 PHE A 125 -1.267 6.024 -3.005 1.00 13.44 C ATOM 1970 CD2 PHE A 125 -3.125 4.653 -2.395 1.00 44.31 C ATOM 1971 CE1 PHE A 125 -0.456 5.301 -2.157 1.00 51.02 C ATOM 1972 CE2 PHE A 125 -2.311 3.932 -1.547 1.00 24.22 C ATOM 1973 CZ PHE A 125 -0.974 4.258 -1.428 1.00 32.31 C ATOM 0 H PHE A 125 -4.896 7.565 -5.812 1.00 63.30 H new ATOM 0 HA PHE A 125 -2.251 6.514 -5.858 1.00 2.53 H new ATOM 0 HB2 PHE A 125 -3.339 7.580 -3.883 1.00 62.20 H new ATOM 0 HB3 PHE A 125 -4.543 6.308 -3.839 1.00 62.20 H new ATOM 0 HD1 PHE A 125 -0.849 6.843 -3.571 1.00 13.44 H new ATOM 0 HD2 PHE A 125 -4.170 4.393 -2.481 1.00 44.31 H new ATOM 0 HE1 PHE A 125 0.590 5.555 -2.065 1.00 51.02 H new ATOM 0 HE2 PHE A 125 -2.719 3.112 -0.975 1.00 24.22 H new ATOM 0 HZ PHE A 125 -0.337 3.694 -0.763 1.00 32.31 H new ATOM 1983 N ILE A 126 -4.740 4.310 -5.905 1.00 20.01 N ATOM 1984 CA ILE A 126 -5.100 2.902 -6.172 1.00 11.35 C ATOM 1985 C ILE A 126 -4.739 2.530 -7.620 1.00 43.32 C ATOM 1986 O ILE A 126 -4.292 1.419 -7.876 1.00 11.01 O ATOM 1987 CB ILE A 126 -6.627 2.629 -5.910 1.00 14.20 C ATOM 1988 CG1 ILE A 126 -7.009 3.046 -4.460 1.00 34.40 C ATOM 1989 CG2 ILE A 126 -6.994 1.142 -6.163 1.00 15.42 C ATOM 1990 CD1 ILE A 126 -8.495 3.073 -4.185 1.00 54.32 C ATOM 0 H ILE A 126 -5.544 4.912 -5.728 1.00 20.01 H new ATOM 0 HA ILE A 126 -4.529 2.279 -5.483 1.00 11.35 H new ATOM 0 HB ILE A 126 -7.199 3.233 -6.614 1.00 14.20 H new ATOM 0 HG12 ILE A 126 -6.536 2.357 -3.761 1.00 34.40 H new ATOM 0 HG13 ILE A 126 -6.598 4.035 -4.260 1.00 34.40 H new ATOM 0 HG21 ILE A 126 -8.057 0.992 -5.972 1.00 15.42 H new ATOM 0 HG22 ILE A 126 -6.771 0.883 -7.198 1.00 15.42 H new ATOM 0 HG23 ILE A 126 -6.412 0.505 -5.497 1.00 15.42 H new ATOM 0 HD11 ILE A 126 -8.668 3.374 -3.152 1.00 54.32 H new ATOM 0 HD12 ILE A 126 -8.976 3.785 -4.856 1.00 54.32 H new ATOM 0 HD13 ILE A 126 -8.913 2.080 -4.349 1.00 54.32 H new ATOM 2002 N SER A 127 -4.890 3.504 -8.550 1.00 41.15 N ATOM 2003 CA SER A 127 -4.520 3.319 -9.962 1.00 34.22 C ATOM 2004 C SER A 127 -3.003 3.068 -10.105 1.00 73.11 C ATOM 2005 O SER A 127 -2.590 2.224 -10.912 1.00 23.52 O ATOM 2006 CB SER A 127 -4.962 4.532 -10.811 1.00 24.41 C ATOM 2007 OG SER A 127 -4.722 4.319 -12.195 1.00 11.15 O ATOM 0 H SER A 127 -5.268 4.428 -8.339 1.00 41.15 H new ATOM 0 HA SER A 127 -5.043 2.439 -10.336 1.00 34.22 H new ATOM 0 HB2 SER A 127 -6.023 4.721 -10.650 1.00 24.41 H new ATOM 0 HB3 SER A 127 -4.426 5.422 -10.481 1.00 24.41 H new ATOM 0 HG SER A 127 -5.015 5.105 -12.702 1.00 11.15 H new ATOM 2013 N VAL A 128 -2.187 3.785 -9.285 1.00 25.51 N ATOM 2014 CA VAL A 128 -0.737 3.533 -9.181 1.00 75.03 C ATOM 2015 C VAL A 128 -0.479 2.079 -8.721 1.00 54.42 C ATOM 2016 O VAL A 128 0.243 1.339 -9.393 1.00 53.05 O ATOM 2017 CB VAL A 128 -0.025 4.551 -8.200 1.00 65.55 C ATOM 2018 CG1 VAL A 128 1.460 4.184 -7.939 1.00 11.41 C ATOM 2019 CG2 VAL A 128 -0.154 6.003 -8.726 1.00 71.24 C ATOM 0 H VAL A 128 -2.518 4.543 -8.688 1.00 25.51 H new ATOM 0 HA VAL A 128 -0.308 3.681 -10.172 1.00 75.03 H new ATOM 0 HB VAL A 128 -0.539 4.482 -7.241 1.00 65.55 H new ATOM 0 HG11 VAL A 128 1.901 4.914 -7.260 1.00 11.41 H new ATOM 0 HG12 VAL A 128 1.516 3.192 -7.491 1.00 11.41 H new ATOM 0 HG13 VAL A 128 2.007 4.188 -8.882 1.00 11.41 H new ATOM 0 HG21 VAL A 128 0.342 6.685 -8.036 1.00 71.24 H new ATOM 0 HG22 VAL A 128 0.313 6.077 -9.708 1.00 71.24 H new ATOM 0 HG23 VAL A 128 -1.208 6.269 -8.804 1.00 71.24 H new ATOM 2029 N LEU A 129 -1.130 1.679 -7.599 1.00 61.04 N ATOM 2030 CA LEU A 129 -1.039 0.306 -7.044 1.00 11.33 C ATOM 2031 C LEU A 129 -1.395 -0.782 -8.094 1.00 31.31 C ATOM 2032 O LEU A 129 -0.672 -1.763 -8.234 1.00 12.14 O ATOM 2033 CB LEU A 129 -1.957 0.145 -5.799 1.00 53.41 C ATOM 2034 CG LEU A 129 -1.666 1.093 -4.597 1.00 14.10 C ATOM 2035 CD1 LEU A 129 -2.700 0.873 -3.471 1.00 1.04 C ATOM 2036 CD2 LEU A 129 -0.210 0.935 -4.085 1.00 45.20 C ATOM 0 H LEU A 129 -1.731 2.298 -7.056 1.00 61.04 H new ATOM 0 HA LEU A 129 0.001 0.163 -6.750 1.00 11.33 H new ATOM 0 HB2 LEU A 129 -2.989 0.299 -6.113 1.00 53.41 H new ATOM 0 HB3 LEU A 129 -1.880 -0.884 -5.449 1.00 53.41 H new ATOM 0 HG LEU A 129 -1.765 2.122 -4.944 1.00 14.10 H new ATOM 0 HD11 LEU A 129 -2.481 1.543 -2.640 1.00 1.04 H new ATOM 0 HD12 LEU A 129 -3.701 1.080 -3.850 1.00 1.04 H new ATOM 0 HD13 LEU A 129 -2.649 -0.160 -3.127 1.00 1.04 H new ATOM 0 HD21 LEU A 129 -0.044 1.612 -3.247 1.00 45.20 H new ATOM 0 HD22 LEU A 129 -0.048 -0.093 -3.760 1.00 45.20 H new ATOM 0 HD23 LEU A 129 0.486 1.175 -4.889 1.00 45.20 H new ATOM 2048 N GLU A 130 -2.496 -0.563 -8.847 1.00 43.33 N ATOM 2049 CA GLU A 130 -3.017 -1.526 -9.852 1.00 2.43 C ATOM 2050 C GLU A 130 -2.047 -1.701 -11.037 1.00 44.40 C ATOM 2051 O GLU A 130 -1.937 -2.801 -11.596 1.00 70.52 O ATOM 2052 CB GLU A 130 -4.416 -1.068 -10.351 1.00 1.24 C ATOM 2053 CG GLU A 130 -5.527 -1.116 -9.280 1.00 3.50 C ATOM 2054 CD GLU A 130 -6.877 -0.596 -9.803 1.00 44.41 C ATOM 2055 OE1 GLU A 130 -7.116 0.635 -9.754 1.00 10.23 O ATOM 2056 OE2 GLU A 130 -7.687 -1.407 -10.303 1.00 34.20 O ATOM 0 H GLU A 130 -3.053 0.289 -8.777 1.00 43.33 H new ATOM 0 HA GLU A 130 -3.111 -2.498 -9.367 1.00 2.43 H new ATOM 0 HB2 GLU A 130 -4.337 -0.048 -10.728 1.00 1.24 H new ATOM 0 HB3 GLU A 130 -4.712 -1.697 -11.191 1.00 1.24 H new ATOM 0 HG2 GLU A 130 -5.647 -2.142 -8.933 1.00 3.50 H new ATOM 0 HG3 GLU A 130 -5.222 -0.522 -8.419 1.00 3.50 H new ATOM 2063 N THR A 131 -1.360 -0.607 -11.408 1.00 44.10 N ATOM 2064 CA THR A 131 -0.311 -0.629 -12.446 1.00 72.14 C ATOM 2065 C THR A 131 0.916 -1.449 -11.971 1.00 2.32 C ATOM 2066 O THR A 131 1.430 -2.296 -12.707 1.00 13.35 O ATOM 2067 CB THR A 131 0.136 0.827 -12.807 1.00 63.31 C ATOM 2068 OG1 THR A 131 -1.017 1.632 -13.109 1.00 74.31 O ATOM 2069 CG2 THR A 131 1.103 0.881 -14.005 1.00 2.03 C ATOM 0 H THR A 131 -1.514 0.315 -11.000 1.00 44.10 H new ATOM 0 HA THR A 131 -0.729 -1.103 -13.334 1.00 72.14 H new ATOM 0 HB THR A 131 0.665 1.213 -11.936 1.00 63.31 H new ATOM 0 HG1 THR A 131 -1.507 1.825 -12.282 1.00 74.31 H new ATOM 0 HG21 THR A 131 1.376 1.917 -14.206 1.00 2.03 H new ATOM 0 HG22 THR A 131 2.001 0.307 -13.774 1.00 2.03 H new ATOM 0 HG23 THR A 131 0.617 0.457 -14.884 1.00 2.03 H new ATOM 2077 N VAL A 132 1.347 -1.197 -10.711 1.00 14.32 N ATOM 2078 CA VAL A 132 2.531 -1.855 -10.109 1.00 4.24 C ATOM 2079 C VAL A 132 2.293 -3.363 -9.923 1.00 61.50 C ATOM 2080 O VAL A 132 3.084 -4.177 -10.395 1.00 34.11 O ATOM 2081 CB VAL A 132 2.928 -1.193 -8.735 1.00 42.23 C ATOM 2082 CG1 VAL A 132 4.140 -1.906 -8.080 1.00 24.52 C ATOM 2083 CG2 VAL A 132 3.210 0.310 -8.932 1.00 42.12 C ATOM 0 H VAL A 132 0.886 -0.535 -10.087 1.00 14.32 H new ATOM 0 HA VAL A 132 3.360 -1.717 -10.803 1.00 4.24 H new ATOM 0 HB VAL A 132 2.086 -1.305 -8.052 1.00 42.23 H new ATOM 0 HG11 VAL A 132 4.382 -1.419 -7.135 1.00 24.52 H new ATOM 0 HG12 VAL A 132 3.892 -2.951 -7.896 1.00 24.52 H new ATOM 0 HG13 VAL A 132 5.000 -1.849 -8.748 1.00 24.52 H new ATOM 0 HG21 VAL A 132 3.483 0.757 -7.976 1.00 42.12 H new ATOM 0 HG22 VAL A 132 4.029 0.437 -9.640 1.00 42.12 H new ATOM 0 HG23 VAL A 132 2.317 0.800 -9.320 1.00 42.12 H new ATOM 2093 N ILE A 133 1.157 -3.706 -9.287 1.00 31.45 N ATOM 2094 CA ILE A 133 0.740 -5.102 -9.054 1.00 32.21 C ATOM 2095 C ILE A 133 0.609 -5.828 -10.414 1.00 73.24 C ATOM 2096 O ILE A 133 1.200 -6.892 -10.614 1.00 41.40 O ATOM 2097 CB ILE A 133 -0.627 -5.143 -8.240 1.00 31.32 C ATOM 2098 CG1 ILE A 133 -0.426 -4.597 -6.778 1.00 70.01 C ATOM 2099 CG2 ILE A 133 -1.275 -6.549 -8.224 1.00 30.42 C ATOM 2100 CD1 ILE A 133 -1.705 -4.501 -5.948 1.00 53.10 C ATOM 0 H ILE A 133 0.499 -3.019 -8.918 1.00 31.45 H new ATOM 0 HA ILE A 133 1.493 -5.616 -8.456 1.00 32.21 H new ATOM 0 HB ILE A 133 -1.323 -4.488 -8.764 1.00 31.32 H new ATOM 0 HG12 ILE A 133 0.280 -5.244 -6.258 1.00 70.01 H new ATOM 0 HG13 ILE A 133 0.029 -3.608 -6.834 1.00 70.01 H new ATOM 0 HG21 ILE A 133 -2.204 -6.515 -7.654 1.00 30.42 H new ATOM 0 HG22 ILE A 133 -1.487 -6.863 -9.246 1.00 30.42 H new ATOM 0 HG23 ILE A 133 -0.591 -7.260 -7.760 1.00 30.42 H new ATOM 0 HD11 ILE A 133 -1.467 -4.115 -4.957 1.00 53.10 H new ATOM 0 HD12 ILE A 133 -2.408 -3.829 -6.440 1.00 53.10 H new ATOM 0 HD13 ILE A 133 -2.153 -5.490 -5.855 1.00 53.10 H new ATOM 2112 N GLY A 134 -0.063 -5.138 -11.362 1.00 1.14 N ATOM 2113 CA GLY A 134 -0.330 -5.656 -12.703 1.00 3.23 C ATOM 2114 C GLY A 134 0.925 -6.069 -13.472 1.00 31.41 C ATOM 2115 O GLY A 134 0.995 -7.183 -14.016 1.00 40.30 O ATOM 0 H GLY A 134 -0.434 -4.200 -11.207 1.00 1.14 H new ATOM 0 HA2 GLY A 134 -0.994 -6.517 -12.623 1.00 3.23 H new ATOM 0 HA3 GLY A 134 -0.861 -4.896 -13.276 1.00 3.23 H new ATOM 2119 N THR A 135 1.950 -5.186 -13.463 1.00 50.31 N ATOM 2120 CA THR A 135 3.195 -5.398 -14.233 1.00 51.25 C ATOM 2121 C THR A 135 4.088 -6.507 -13.606 1.00 31.22 C ATOM 2122 O THR A 135 4.952 -7.079 -14.284 1.00 31.21 O ATOM 2123 CB THR A 135 3.999 -4.052 -14.428 1.00 15.10 C ATOM 2124 OG1 THR A 135 5.048 -4.222 -15.399 1.00 22.21 O ATOM 2125 CG2 THR A 135 4.606 -3.513 -13.123 1.00 75.13 C ATOM 0 H THR A 135 1.938 -4.317 -12.929 1.00 50.31 H new ATOM 0 HA THR A 135 2.897 -5.747 -15.222 1.00 51.25 H new ATOM 0 HB THR A 135 3.272 -3.320 -14.780 1.00 15.10 H new ATOM 0 HG1 THR A 135 5.534 -3.378 -15.507 1.00 22.21 H new ATOM 0 HG21 THR A 135 5.144 -2.588 -13.327 1.00 75.13 H new ATOM 0 HG22 THR A 135 3.810 -3.319 -12.404 1.00 75.13 H new ATOM 0 HG23 THR A 135 5.295 -4.250 -12.711 1.00 75.13 H new ATOM 2133 N ILE A 136 3.849 -6.810 -12.312 1.00 5.15 N ATOM 2134 CA ILE A 136 4.560 -7.879 -11.561 1.00 61.24 C ATOM 2135 C ILE A 136 3.770 -9.208 -11.649 1.00 41.45 C ATOM 2136 O ILE A 136 4.332 -10.299 -11.445 1.00 43.02 O ATOM 2137 CB ILE A 136 4.788 -7.435 -10.063 1.00 14.31 C ATOM 2138 CG1 ILE A 136 5.521 -6.060 -10.037 1.00 15.13 C ATOM 2139 CG2 ILE A 136 5.582 -8.490 -9.236 1.00 42.02 C ATOM 2140 CD1 ILE A 136 5.544 -5.383 -8.694 1.00 0.33 C ATOM 0 H ILE A 136 3.153 -6.319 -11.751 1.00 5.15 H new ATOM 0 HA ILE A 136 5.539 -8.043 -12.010 1.00 61.24 H new ATOM 0 HB ILE A 136 3.809 -7.346 -9.593 1.00 14.31 H new ATOM 0 HG12 ILE A 136 6.548 -6.205 -10.373 1.00 15.13 H new ATOM 0 HG13 ILE A 136 5.042 -5.395 -10.755 1.00 15.13 H new ATOM 0 HG21 ILE A 136 5.709 -8.131 -8.215 1.00 42.02 H new ATOM 0 HG22 ILE A 136 5.033 -9.432 -9.224 1.00 42.02 H new ATOM 0 HG23 ILE A 136 6.561 -8.646 -9.690 1.00 42.02 H new ATOM 0 HD11 ILE A 136 6.075 -4.434 -8.774 1.00 0.33 H new ATOM 0 HD12 ILE A 136 4.522 -5.200 -8.361 1.00 0.33 H new ATOM 0 HD13 ILE A 136 6.052 -6.023 -7.973 1.00 0.33 H new ATOM 2152 N GLU A 137 2.470 -9.108 -12.003 1.00 72.23 N ATOM 2153 CA GLU A 137 1.637 -10.277 -12.343 1.00 4.40 C ATOM 2154 C GLU A 137 1.998 -10.778 -13.753 1.00 44.53 C ATOM 2155 O GLU A 137 2.748 -10.115 -14.488 1.00 73.01 O ATOM 2156 CB GLU A 137 0.123 -9.935 -12.298 1.00 42.14 C ATOM 2157 CG GLU A 137 -0.427 -9.546 -10.923 1.00 43.12 C ATOM 2158 CD GLU A 137 -1.906 -9.148 -10.965 1.00 34.30 C ATOM 2159 OE1 GLU A 137 -2.229 -8.039 -11.438 1.00 51.12 O ATOM 2160 OE2 GLU A 137 -2.758 -9.954 -10.569 1.00 3.52 O ATOM 0 H GLU A 137 1.973 -8.219 -12.060 1.00 72.23 H new ATOM 0 HA GLU A 137 1.835 -11.052 -11.603 1.00 4.40 H new ATOM 0 HB2 GLU A 137 -0.067 -9.115 -12.991 1.00 42.14 H new ATOM 0 HB3 GLU A 137 -0.437 -10.796 -12.663 1.00 42.14 H new ATOM 0 HG2 GLU A 137 -0.300 -10.383 -10.236 1.00 43.12 H new ATOM 0 HG3 GLU A 137 0.157 -8.716 -10.525 1.00 43.12 H new ATOM 2167 N GLU A 138 1.434 -11.945 -14.105 1.00 32.23 N ATOM 2168 CA GLU A 138 1.528 -12.532 -15.448 1.00 75.43 C ATOM 2169 C GLU A 138 2.990 -12.883 -15.790 1.00 50.22 C ATOM 2170 O GLU A 138 3.674 -12.146 -16.506 1.00 12.34 O ATOM 2171 CB GLU A 138 0.878 -11.595 -16.522 1.00 61.14 C ATOM 2172 CG GLU A 138 -0.594 -11.227 -16.235 1.00 42.44 C ATOM 2173 CD GLU A 138 -1.146 -10.137 -17.164 1.00 2.31 C ATOM 2174 OE1 GLU A 138 -0.644 -8.996 -17.102 1.00 63.33 O ATOM 2175 OE2 GLU A 138 -2.095 -10.401 -17.938 1.00 32.33 O ATOM 0 H GLU A 138 0.893 -12.514 -13.454 1.00 32.23 H new ATOM 0 HA GLU A 138 0.961 -13.463 -15.456 1.00 75.43 H new ATOM 0 HB2 GLU A 138 1.463 -10.678 -16.589 1.00 61.14 H new ATOM 0 HB3 GLU A 138 0.936 -12.082 -17.495 1.00 61.14 H new ATOM 0 HG2 GLU A 138 -1.209 -12.122 -16.332 1.00 42.44 H new ATOM 0 HG3 GLU A 138 -0.681 -10.891 -15.202 1.00 42.44 H new ATOM 2182 N ILE A 139 3.481 -13.984 -15.206 1.00 10.11 N ATOM 2183 CA ILE A 139 4.797 -14.538 -15.531 1.00 61.34 C ATOM 2184 C ILE A 139 4.631 -15.293 -16.874 1.00 61.12 C ATOM 2185 O ILE A 139 4.353 -16.503 -16.915 1.00 44.25 O ATOM 2186 CB ILE A 139 5.379 -15.446 -14.363 1.00 34.21 C ATOM 2187 CG1 ILE A 139 5.597 -14.636 -13.015 1.00 44.12 C ATOM 2188 CG2 ILE A 139 6.702 -16.127 -14.804 1.00 3.11 C ATOM 2189 CD1 ILE A 139 4.328 -14.232 -12.258 1.00 23.44 C ATOM 0 H ILE A 139 2.976 -14.514 -14.496 1.00 10.11 H new ATOM 0 HA ILE A 139 5.540 -13.748 -15.636 1.00 61.34 H new ATOM 0 HB ILE A 139 4.633 -16.214 -14.160 1.00 34.21 H new ATOM 0 HG12 ILE A 139 6.216 -15.238 -12.350 1.00 44.12 H new ATOM 0 HG13 ILE A 139 6.161 -13.732 -13.245 1.00 44.12 H new ATOM 0 HG21 ILE A 139 7.083 -16.743 -13.990 1.00 3.11 H new ATOM 0 HG22 ILE A 139 6.516 -16.753 -15.677 1.00 3.11 H new ATOM 0 HG23 ILE A 139 7.438 -15.363 -15.056 1.00 3.11 H new ATOM 0 HD11 ILE A 139 4.601 -13.685 -11.356 1.00 23.44 H new ATOM 0 HD12 ILE A 139 3.711 -13.597 -12.894 1.00 23.44 H new ATOM 0 HD13 ILE A 139 3.767 -15.126 -11.985 1.00 23.44 H new ATOM 2201 N LYS A 140 4.707 -14.504 -17.961 1.00 1.15 N ATOM 2202 CA LYS A 140 4.368 -14.917 -19.334 1.00 23.33 C ATOM 2203 C LYS A 140 5.372 -15.962 -19.860 1.00 62.33 C ATOM 2204 O LYS A 140 6.458 -15.614 -20.335 1.00 11.25 O ATOM 2205 CB LYS A 140 4.319 -13.661 -20.249 1.00 3.25 C ATOM 2206 CG LYS A 140 3.365 -12.552 -19.743 1.00 54.14 C ATOM 2207 CD LYS A 140 3.471 -11.235 -20.540 1.00 61.33 C ATOM 2208 CE LYS A 140 2.590 -10.122 -19.951 1.00 20.00 C ATOM 2209 NZ LYS A 140 2.709 -8.851 -20.723 1.00 32.55 N ATOM 0 H LYS A 140 5.015 -13.533 -17.906 1.00 1.15 H new ATOM 0 HA LYS A 140 3.386 -15.391 -19.337 1.00 23.33 H new ATOM 0 HB2 LYS A 140 5.324 -13.249 -20.338 1.00 3.25 H new ATOM 0 HB3 LYS A 140 4.009 -13.964 -21.249 1.00 3.25 H new ATOM 0 HG2 LYS A 140 2.339 -12.916 -19.794 1.00 54.14 H new ATOM 0 HG3 LYS A 140 3.580 -12.350 -18.694 1.00 54.14 H new ATOM 0 HD2 LYS A 140 4.509 -10.904 -20.553 1.00 61.33 H new ATOM 0 HD3 LYS A 140 3.181 -11.415 -21.575 1.00 61.33 H new ATOM 0 HE2 LYS A 140 1.550 -10.447 -19.945 1.00 20.00 H new ATOM 0 HE3 LYS A 140 2.874 -9.945 -18.914 1.00 20.00 H new ATOM 0 HZ1 LYS A 140 2.100 -8.126 -20.294 1.00 32.55 H new ATOM 0 HZ2 LYS A 140 3.697 -8.527 -20.707 1.00 32.55 H new ATOM 0 HZ3 LYS A 140 2.414 -9.013 -21.707 1.00 32.55 H new ATOM 2223 N SER A 141 4.983 -17.237 -19.711 1.00 32.12 N ATOM 2224 CA SER A 141 5.787 -18.416 -20.061 1.00 54.35 C ATOM 2225 C SER A 141 4.942 -19.682 -19.777 1.00 5.53 C ATOM 2226 O SER A 141 4.642 -20.445 -20.713 1.00 14.44 O ATOM 2227 CB SER A 141 7.129 -18.442 -19.268 1.00 50.45 C ATOM 2228 OG SER A 141 6.929 -18.127 -17.895 1.00 24.44 O ATOM 2229 OXT SER A 141 4.525 -19.870 -18.608 1.00 37.43 O ATOM 0 H SER A 141 4.069 -17.483 -19.331 1.00 32.12 H new ATOM 0 HA SER A 141 6.051 -18.380 -21.118 1.00 54.35 H new ATOM 0 HB2 SER A 141 7.584 -19.429 -19.354 1.00 50.45 H new ATOM 0 HB3 SER A 141 7.827 -17.730 -19.708 1.00 50.45 H new ATOM 0 HG SER A 141 6.101 -18.546 -17.581 1.00 24.44 H new TER 2235 SER A 141