USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 789 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 56 MET CE :methyl 172:sc=-0.00158 (180deg=-0.0633) USER MOD Set 1.2: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 77 GLN : amide:sc= -0.07 K(o=0.61,f=0.11) USER MOD Set 2.2: A 79 HIS : no HD1:sc= 0.242 K(o=0.61,f=-0.95) USER MOD Set 2.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.4: A 100 LYS NZ :NH3+ 177:sc= 0.439 (180deg=0) USER MOD Set 3.1: A 84 SER OG : rot 46:sc= 0.452 USER MOD Set 3.2: A 85 ASN : amide:sc= 0.486 K(o=0.94,f=0) USER MOD Set 4.1: A 66 TYR OH : rot 180:sc= -0.0188 USER MOD Set 4.2: A 70 LYS NZ :NH3+ 178:sc= 1.32 (180deg=1.3) USER MOD Set 5.1: A 45 LYS NZ :NH3+ -176:sc= 1.05 (180deg=0) USER MOD Set 5.2: A 50 GLN : amide:sc= 0.875 K(o=1.9,f=-4.8) USER MOD Single : A 0 MET CE :methyl 172:sc= 0 (180deg=-0.154) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -8 PHE N :NH3+ 152:sc= 0 (180deg=-0.625) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0.853 (180deg=0.831) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 63:sc= 0.589 USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= 1.29 (180deg=1.05) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 129:sc= 0.621 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.378 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 68 MET CE :methyl -137:sc= 0 (180deg=-0.0476) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.17) USER MOD Single : A 78 GLN : amide:sc= 0.242 X(o=0.24,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 74:sc= 0.947 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= 0.0205 K(o=0.02,f=-0.81) USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= 1.14 (180deg=0.709) USER MOD Single : A 106 TYR OH : rot -6:sc= 1.21 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 179:sc= -0.243 (180deg=-0.246) USER MOD Single : A 109 MET CE :methyl -128:sc= -0.112 (180deg=-0.549) USER MOD Single : A 111 SER OG : rot 75:sc= 0.304 USER MOD Single : A 112 MET CE :methyl -168:sc= -0.0192 (180deg=-0.106) USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.528 -3.122 13.088 1.00 0.00 N ATOM 59 CA PHE A -8 -0.757 -3.026 11.638 1.00 0.00 C ATOM 60 C PHE A -8 0.011 -4.026 10.757 1.00 0.00 C ATOM 61 O PHE A -8 -0.570 -4.724 9.921 1.00 0.00 O ATOM 62 CB PHE A -8 -0.635 -1.567 11.158 1.00 0.00 C ATOM 63 CG PHE A -8 -0.390 -1.426 9.666 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.463 -1.530 8.762 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.923 -1.272 9.179 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.222 -1.499 7.378 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.164 -1.247 7.796 1.00 0.00 C ATOM 68 CZ PHE A -8 0.092 -1.367 6.894 1.00 0.00 C ATOM 0 H1 PHE A -8 -0.675 -2.190 13.525 1.00 0.00 H new ATOM 0 H2 PHE A -8 -1.194 -3.806 13.500 1.00 0.00 H new ATOM 0 H3 PHE A -8 0.447 -3.438 13.265 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.788 -3.351 11.496 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.549 -1.032 11.418 1.00 0.00 H new ATOM 0 HB3 PHE A -8 0.181 -1.085 11.697 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.472 -1.634 9.132 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.746 -1.173 9.871 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.047 -1.577 6.685 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.172 -1.136 7.425 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.278 -1.358 5.830 1.00 0.00 H new ATOM 78 N TRP A -7 1.326 -4.125 10.978 1.00 0.00 N ATOM 79 CA TRP A -7 2.224 -4.929 10.140 1.00 0.00 C ATOM 80 C TRP A -7 1.940 -6.437 10.207 1.00 0.00 C ATOM 81 O TRP A -7 2.074 -7.133 9.204 1.00 0.00 O ATOM 82 CB TRP A -7 3.680 -4.601 10.492 1.00 0.00 C ATOM 83 CG TRP A -7 4.713 -5.370 9.725 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.212 -6.576 10.086 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.167 -5.156 8.350 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.019 -7.071 9.079 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.007 -6.248 7.973 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.962 -4.142 7.385 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.614 -6.332 6.711 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.584 -4.208 6.122 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.402 -5.299 5.783 1.00 0.00 C ATOM 0 H TRP A -7 1.800 -3.649 11.745 1.00 0.00 H new ATOM 0 HA TRP A -7 2.036 -4.658 9.101 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.846 -3.537 10.326 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.830 -4.785 11.556 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.010 -7.076 11.021 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.556 -7.936 9.146 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.320 -3.306 7.619 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.235 -7.178 6.457 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.430 -3.412 5.408 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.867 -5.343 4.809 1.00 0.00 H new ATOM 102 N GLU A -6 1.470 -6.941 11.352 1.00 0.00 N ATOM 103 CA GLU A -6 1.063 -8.348 11.512 1.00 0.00 C ATOM 104 C GLU A -6 -0.075 -8.744 10.553 1.00 0.00 C ATOM 105 O GLU A -6 -0.081 -9.858 10.026 1.00 0.00 O ATOM 106 CB GLU A -6 0.643 -8.611 12.968 1.00 0.00 C ATOM 107 CG GLU A -6 1.832 -8.532 13.942 1.00 0.00 C ATOM 108 CD GLU A -6 1.446 -8.784 15.415 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.240 -8.840 15.759 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.371 -8.926 16.252 1.00 0.00 O ATOM 0 H GLU A -6 1.359 -6.385 12.200 1.00 0.00 H new ATOM 0 HA GLU A -6 1.925 -8.965 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.114 -7.884 13.262 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.183 -9.597 13.039 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.584 -9.262 13.643 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.293 -7.548 13.860 1.00 0.00 H new ATOM 117 N TYR A -5 -1.001 -7.819 10.277 1.00 0.00 N ATOM 118 CA TYR A -5 -2.001 -7.954 9.214 1.00 0.00 C ATOM 119 C TYR A -5 -1.490 -7.770 7.785 1.00 0.00 C ATOM 120 O TYR A -5 -1.823 -8.543 6.887 1.00 0.00 O ATOM 121 CB TYR A -5 -3.245 -7.110 9.509 1.00 0.00 C ATOM 122 CG TYR A -5 -4.188 -7.761 10.496 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.119 -8.708 10.030 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.120 -7.448 11.868 1.00 0.00 C ATOM 125 CE1 TYR A -5 -5.990 -9.338 10.935 1.00 0.00 C ATOM 126 CE2 TYR A -5 -5.003 -8.068 12.774 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.947 -9.012 12.307 1.00 0.00 C ATOM 128 OH TYR A -5 -6.820 -9.603 13.167 1.00 0.00 O ATOM 0 H TYR A -5 -1.077 -6.943 10.794 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.283 -9.007 9.237 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.934 -6.141 9.899 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.778 -6.923 8.577 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.164 -8.950 8.978 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.392 -6.734 12.225 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.695 -10.075 10.579 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -4.959 -7.823 13.825 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.659 -9.272 14.075 1.00 0.00 H new ATOM 138 N TRP A -4 -0.641 -6.763 7.578 1.00 0.00 N ATOM 139 CA TRP A -4 -0.069 -6.425 6.272 1.00 0.00 C ATOM 140 C TRP A -4 0.861 -7.528 5.742 1.00 0.00 C ATOM 141 O TRP A -4 0.903 -7.778 4.538 1.00 0.00 O ATOM 142 CB TRP A -4 0.675 -5.097 6.434 1.00 0.00 C ATOM 143 CG TRP A -4 1.038 -4.459 5.139 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.185 -4.668 4.457 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.144 -3.769 4.216 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.094 -4.066 3.220 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.846 -3.530 3.001 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.201 -3.343 4.277 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.254 -2.896 1.902 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.808 -2.705 3.180 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.084 -2.478 1.995 1.00 0.00 C ATOM 0 H TRP A -4 -0.325 -6.147 8.327 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.864 -6.333 5.532 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.054 -4.409 7.008 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.582 -5.266 7.014 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.038 -5.219 4.823 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.860 -4.023 2.548 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.772 -3.509 5.179 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.818 -2.731 0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.838 -2.387 3.248 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.556 -1.984 1.159 1.00 0.00 H new ATOM 162 N LEU A -3 1.541 -8.268 6.622 1.00 0.00 N ATOM 163 CA LEU A -3 2.375 -9.414 6.250 1.00 0.00 C ATOM 164 C LEU A -3 1.576 -10.537 5.553 1.00 0.00 C ATOM 165 O LEU A -3 2.092 -11.200 4.652 1.00 0.00 O ATOM 166 CB LEU A -3 3.087 -9.903 7.524 1.00 0.00 C ATOM 167 CG LEU A -3 4.203 -10.934 7.276 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.414 -10.286 6.599 1.00 0.00 C ATOM 169 CD2 LEU A -3 4.666 -11.515 8.613 1.00 0.00 C ATOM 0 H LEU A -3 1.528 -8.086 7.625 1.00 0.00 H new ATOM 0 HA LEU A -3 3.110 -9.104 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.513 -9.042 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.347 -10.342 8.193 1.00 0.00 H new ATOM 0 HG LEU A -3 3.800 -11.713 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.186 -11.038 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.112 -9.863 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A -3 5.807 -9.495 7.237 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.456 -12.245 8.438 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.046 -10.713 9.246 1.00 0.00 H new ATOM 0 HD23 LEU A -3 3.826 -12.001 9.109 1.00 0.00 H new ATOM 181 N ARG A -2 0.290 -10.707 5.902 1.00 0.00 N ATOM 182 CA ARG A -2 -0.616 -11.703 5.297 1.00 0.00 C ATOM 183 C ARG A -2 -0.897 -11.438 3.815 1.00 0.00 C ATOM 184 O ARG A -2 -1.132 -12.385 3.064 1.00 0.00 O ATOM 185 CB ARG A -2 -1.929 -11.793 6.093 1.00 0.00 C ATOM 186 CG ARG A -2 -1.756 -12.149 7.581 1.00 0.00 C ATOM 187 CD ARG A -2 -1.149 -13.539 7.824 1.00 0.00 C ATOM 188 NE ARG A -2 -2.064 -14.610 7.385 1.00 0.00 N ATOM 189 CZ ARG A -2 -1.822 -15.616 6.564 1.00 0.00 C ATOM 190 NH1 ARG A -2 -0.673 -15.839 5.995 1.00 0.00 N ATOM 191 NH2 ARG A -2 -2.782 -16.448 6.301 1.00 0.00 N ATOM 0 H ARG A -2 -0.159 -10.146 6.626 1.00 0.00 H new ATOM 0 HA ARG A -2 -0.101 -12.663 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -2.448 -10.838 6.020 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.570 -12.541 5.627 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -1.121 -11.399 8.052 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.728 -12.097 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.204 -13.624 7.288 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -0.926 -13.660 8.884 1.00 0.00 H new ATOM 0 HE ARG A -2 -3.009 -14.568 7.766 1.00 0.00 H new ATOM 0 HH11 ARG A -2 0.114 -15.215 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -0.559 -16.638 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -3.700 -16.318 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -2.618 -17.232 5.670 1.00 0.00 H new ATOM 205 N LEU A -1 -0.810 -10.176 3.380 1.00 0.00 N ATOM 206 CA LEU A -1 -0.936 -9.797 1.970 1.00 0.00 C ATOM 207 C LEU A -1 0.225 -10.332 1.130 1.00 0.00 C ATOM 208 O LEU A -1 -0.017 -10.991 0.119 1.00 0.00 O ATOM 209 CB LEU A -1 -0.989 -8.270 1.825 1.00 0.00 C ATOM 210 CG LEU A -1 -2.286 -7.603 2.291 1.00 0.00 C ATOM 211 CD1 LEU A -1 -2.064 -6.102 2.174 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.478 -7.977 1.409 1.00 0.00 C ATOM 0 H LEU A -1 -0.649 -9.384 4.002 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.863 -10.239 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.159 -7.841 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.828 -8.017 0.777 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.512 -7.928 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.963 -5.575 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.226 -5.808 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.845 -5.846 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.375 -7.480 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.285 -7.661 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.625 -9.057 1.435 1.00 0.00 H new ATOM 224 N MET A 0 1.476 -10.080 1.534 1.00 0.00 N ATOM 225 CA MET A 0 2.635 -10.543 0.755 1.00 0.00 C ATOM 226 C MET A 0 2.793 -12.076 0.810 1.00 0.00 C ATOM 227 O MET A 0 3.321 -12.685 -0.120 1.00 0.00 O ATOM 228 CB MET A 0 3.923 -9.816 1.169 1.00 0.00 C ATOM 229 CG MET A 0 4.409 -10.140 2.587 1.00 0.00 C ATOM 230 SD MET A 0 6.096 -9.580 2.940 1.00 0.00 S ATOM 231 CE MET A 0 5.827 -7.791 2.948 1.00 0.00 C ATOM 0 H MET A 0 1.712 -9.566 2.383 1.00 0.00 H new ATOM 0 HA MET A 0 2.444 -10.286 -0.287 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.712 -10.070 0.461 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.759 -8.741 1.091 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.729 -9.683 3.306 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.357 -11.218 2.740 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.732 -7.289 3.290 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.584 -7.455 1.940 1.00 0.00 H new ATOM 0 HE3 MET A 0 5.002 -7.550 3.619 1.00 0.00 H new ATOM 241 N GLU A 1 2.278 -12.710 1.870 1.00 0.00 N ATOM 242 CA GLU A 1 2.119 -14.169 2.006 1.00 0.00 C ATOM 243 C GLU A 1 0.983 -14.762 1.135 1.00 0.00 C ATOM 244 O GLU A 1 0.707 -15.964 1.200 1.00 0.00 O ATOM 245 CB GLU A 1 1.916 -14.523 3.491 1.00 0.00 C ATOM 246 CG GLU A 1 3.199 -14.348 4.321 1.00 0.00 C ATOM 247 CD GLU A 1 2.991 -14.619 5.826 1.00 0.00 C ATOM 248 OE1 GLU A 1 1.830 -14.708 6.297 1.00 0.00 O ATOM 249 OE2 GLU A 1 4.007 -14.762 6.550 1.00 0.00 O ATOM 0 H GLU A 1 1.946 -12.204 2.691 1.00 0.00 H new ATOM 0 HA GLU A 1 3.035 -14.626 1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.130 -13.893 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.573 -15.555 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.966 -15.022 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.573 -13.333 4.190 1.00 0.00 H new ATOM 678 N LEU A 33 9.420 -9.177 -11.916 1.00 0.00 N ATOM 679 CA LEU A 33 9.245 -7.723 -11.836 1.00 0.00 C ATOM 680 C LEU A 33 7.953 -7.218 -12.507 1.00 0.00 C ATOM 681 O LEU A 33 7.453 -7.800 -13.473 1.00 0.00 O ATOM 682 CB LEU A 33 10.470 -7.029 -12.460 1.00 0.00 C ATOM 683 CG LEU A 33 11.808 -7.281 -11.738 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.946 -6.688 -12.568 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.847 -6.645 -10.347 1.00 0.00 C ATOM 0 HA LEU A 33 9.155 -7.472 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.566 -7.359 -13.494 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.286 -5.955 -12.484 1.00 0.00 H new ATOM 0 HG LEU A 33 11.917 -8.359 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.895 -6.863 -12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.965 -7.161 -13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.790 -5.616 -12.685 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.810 -6.851 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.710 -5.567 -10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.049 -7.063 -9.733 1.00 0.00 H new ATOM 697 N VAL A 34 7.475 -6.075 -12.014 1.00 0.00 N ATOM 698 CA VAL A 34 6.370 -5.247 -12.526 1.00 0.00 C ATOM 699 C VAL A 34 6.765 -3.783 -12.687 1.00 0.00 C ATOM 700 O VAL A 34 7.744 -3.329 -12.086 1.00 0.00 O ATOM 701 CB VAL A 34 5.055 -5.395 -11.719 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.848 -6.815 -11.207 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.941 -4.445 -10.516 1.00 0.00 C ATOM 0 H VAL A 34 7.883 -5.665 -11.174 1.00 0.00 H new ATOM 0 HA VAL A 34 6.160 -5.641 -13.520 1.00 0.00 H new ATOM 0 HB VAL A 34 4.283 -5.131 -12.442 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.914 -6.868 -10.648 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.805 -7.503 -12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.677 -7.091 -10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.992 -4.614 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.762 -4.634 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.988 -3.412 -10.862 1.00 0.00 H new ATOM 713 N ARG A 35 5.973 -3.037 -13.464 1.00 0.00 N ATOM 714 CA ARG A 35 6.111 -1.584 -13.646 1.00 0.00 C ATOM 715 C ARG A 35 4.971 -0.806 -12.961 1.00 0.00 C ATOM 716 O ARG A 35 3.940 -0.574 -13.599 1.00 0.00 O ATOM 717 CB ARG A 35 6.230 -1.247 -15.146 1.00 0.00 C ATOM 718 CG ARG A 35 7.553 -1.739 -15.758 1.00 0.00 C ATOM 719 CD ARG A 35 7.673 -1.396 -17.250 1.00 0.00 C ATOM 720 NE ARG A 35 6.696 -2.141 -18.073 1.00 0.00 N ATOM 721 CZ ARG A 35 5.655 -1.658 -18.733 1.00 0.00 C ATOM 722 NH1 ARG A 35 5.313 -0.401 -18.683 1.00 0.00 N ATOM 723 NH2 ARG A 35 4.922 -2.446 -19.466 1.00 0.00 N ATOM 0 H ARG A 35 5.199 -3.434 -13.997 1.00 0.00 H new ATOM 0 HA ARG A 35 7.030 -1.263 -13.155 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.395 -1.697 -15.683 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.151 -0.168 -15.280 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.388 -1.293 -15.217 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.630 -2.819 -15.629 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.521 -0.326 -17.389 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.683 -1.622 -17.593 1.00 0.00 H new ATOM 0 HE ARG A 35 6.842 -3.148 -18.140 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.856 0.253 -18.119 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.503 -0.072 -19.208 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.149 -3.438 -19.533 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.120 -2.071 -19.973 1.00 0.00 H new ATOM 737 N PRO A 36 5.101 -0.422 -11.675 1.00 0.00 N ATOM 738 CA PRO A 36 4.101 0.409 -11.005 1.00 0.00 C ATOM 739 C PRO A 36 4.026 1.831 -11.588 1.00 0.00 C ATOM 740 O PRO A 36 5.018 2.368 -12.089 1.00 0.00 O ATOM 741 CB PRO A 36 4.487 0.411 -9.526 1.00 0.00 C ATOM 742 CG PRO A 36 5.981 0.116 -9.519 1.00 0.00 C ATOM 743 CD PRO A 36 6.200 -0.736 -10.768 1.00 0.00 C ATOM 0 HA PRO A 36 3.099 0.006 -11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.271 1.373 -9.061 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.931 -0.344 -8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.568 1.034 -9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.278 -0.417 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.161 -0.510 -11.229 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.207 -1.797 -10.519 1.00 0.00 H new ATOM 751 N LYS A 37 2.837 2.444 -11.518 1.00 0.00 N ATOM 752 CA LYS A 37 2.560 3.788 -12.063 1.00 0.00 C ATOM 753 C LYS A 37 3.357 4.893 -11.341 1.00 0.00 C ATOM 754 O LYS A 37 3.678 4.719 -10.163 1.00 0.00 O ATOM 755 CB LYS A 37 1.039 4.051 -12.100 1.00 0.00 C ATOM 756 CG LYS A 37 0.293 4.141 -10.755 1.00 0.00 C ATOM 757 CD LYS A 37 -1.223 4.113 -11.033 1.00 0.00 C ATOM 758 CE LYS A 37 -2.060 4.222 -9.753 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.499 3.947 -10.015 1.00 0.00 N ATOM 0 H LYS A 37 2.024 2.016 -11.074 1.00 0.00 H new ATOM 0 HA LYS A 37 2.915 3.817 -13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.873 4.984 -12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.576 3.258 -12.687 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.575 3.309 -10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.565 5.058 -10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.481 4.934 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.477 3.188 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.684 3.518 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.951 5.221 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.048 4.112 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.842 4.579 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.614 2.958 -10.315 1.00 0.00 H new ATOM 773 N PRO A 38 3.657 6.043 -11.985 1.00 0.00 N ATOM 774 CA PRO A 38 4.527 7.082 -11.413 1.00 0.00 C ATOM 775 C PRO A 38 4.083 7.613 -10.040 1.00 0.00 C ATOM 776 O PRO A 38 4.920 7.903 -9.184 1.00 0.00 O ATOM 777 CB PRO A 38 4.563 8.205 -12.455 1.00 0.00 C ATOM 778 CG PRO A 38 4.349 7.459 -13.769 1.00 0.00 C ATOM 779 CD PRO A 38 3.353 6.372 -13.374 1.00 0.00 C ATOM 0 HA PRO A 38 5.510 6.656 -11.211 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.782 8.945 -12.279 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.514 8.737 -12.443 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.950 8.112 -14.546 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.278 7.038 -14.152 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.327 6.725 -13.477 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.455 5.496 -14.015 1.00 0.00 H new ATOM 787 N LEU A 39 2.769 7.688 -9.802 1.00 0.00 N ATOM 788 CA LEU A 39 2.195 8.116 -8.523 1.00 0.00 C ATOM 789 C LEU A 39 2.504 7.129 -7.377 1.00 0.00 C ATOM 790 O LEU A 39 2.799 7.552 -6.259 1.00 0.00 O ATOM 791 CB LEU A 39 0.681 8.328 -8.731 1.00 0.00 C ATOM 792 CG LEU A 39 -0.018 9.092 -7.592 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.397 10.566 -7.559 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.533 9.038 -7.780 1.00 0.00 C ATOM 0 H LEU A 39 2.066 7.450 -10.502 1.00 0.00 H new ATOM 0 HA LEU A 39 2.655 9.053 -8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.528 8.871 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.203 7.355 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 39 0.278 8.614 -6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.118 11.071 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.474 10.637 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.130 11.040 -8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.020 9.581 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.798 9.495 -8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.864 8.000 -7.771 1.00 0.00 H new ATOM 806 N LEU A 40 2.498 5.820 -7.665 1.00 0.00 N ATOM 807 CA LEU A 40 2.920 4.771 -6.735 1.00 0.00 C ATOM 808 C LEU A 40 4.438 4.781 -6.564 1.00 0.00 C ATOM 809 O LEU A 40 4.930 4.749 -5.445 1.00 0.00 O ATOM 810 CB LEU A 40 2.424 3.400 -7.236 1.00 0.00 C ATOM 811 CG LEU A 40 2.910 2.205 -6.394 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.529 2.337 -4.920 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.307 0.902 -6.913 1.00 0.00 C ATOM 0 H LEU A 40 2.194 5.457 -8.568 1.00 0.00 H new ATOM 0 HA LEU A 40 2.478 4.963 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.334 3.403 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.753 3.262 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 40 3.996 2.195 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.895 1.470 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.976 3.242 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.444 2.394 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.662 0.069 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.220 0.956 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.608 0.749 -7.949 1.00 0.00 H new ATOM 825 N LEU A 41 5.188 4.882 -7.661 1.00 0.00 N ATOM 826 CA LEU A 41 6.651 4.957 -7.632 1.00 0.00 C ATOM 827 C LEU A 41 7.152 6.077 -6.701 1.00 0.00 C ATOM 828 O LEU A 41 8.040 5.842 -5.882 1.00 0.00 O ATOM 829 CB LEU A 41 7.158 5.096 -9.077 1.00 0.00 C ATOM 830 CG LEU A 41 8.660 5.392 -9.209 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.520 4.314 -8.550 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.043 5.473 -10.687 1.00 0.00 C ATOM 0 H LEU A 41 4.796 4.914 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 41 7.062 4.041 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.935 4.175 -9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.601 5.894 -9.567 1.00 0.00 H new ATOM 0 HG LEU A 41 8.844 6.340 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.574 4.566 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.279 4.254 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.322 3.352 -9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.109 5.683 -10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.818 4.524 -11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.475 6.270 -11.167 1.00 0.00 H new ATOM 844 N LYS A 42 6.531 7.261 -6.745 1.00 0.00 N ATOM 845 CA LYS A 42 6.816 8.368 -5.815 1.00 0.00 C ATOM 846 C LYS A 42 6.525 8.006 -4.346 1.00 0.00 C ATOM 847 O LYS A 42 7.314 8.342 -3.462 1.00 0.00 O ATOM 848 CB LYS A 42 6.006 9.595 -6.269 1.00 0.00 C ATOM 849 CG LYS A 42 6.250 10.832 -5.388 1.00 0.00 C ATOM 850 CD LYS A 42 5.568 12.093 -5.939 1.00 0.00 C ATOM 851 CE LYS A 42 4.035 12.004 -5.879 1.00 0.00 C ATOM 852 NZ LYS A 42 3.401 13.264 -6.352 1.00 0.00 N ATOM 0 H LYS A 42 5.810 7.483 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 42 7.883 8.590 -5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.264 9.833 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.944 9.349 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.882 10.635 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.322 11.010 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.901 12.961 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.880 12.250 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.693 11.170 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.720 11.798 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.366 13.173 -6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.710 14.055 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.683 13.446 -7.336 1.00 0.00 H new ATOM 866 N LEU A 43 5.433 7.285 -4.080 1.00 0.00 N ATOM 867 CA LEU A 43 5.082 6.780 -2.743 1.00 0.00 C ATOM 868 C LEU A 43 6.109 5.749 -2.232 1.00 0.00 C ATOM 869 O LEU A 43 6.511 5.801 -1.070 1.00 0.00 O ATOM 870 CB LEU A 43 3.636 6.242 -2.774 1.00 0.00 C ATOM 871 CG LEU A 43 3.127 5.685 -1.430 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.613 5.878 -1.325 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.396 4.186 -1.256 1.00 0.00 C ATOM 0 H LEU A 43 4.754 7.029 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 43 5.122 7.595 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.971 7.044 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.572 5.455 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 43 3.668 6.233 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.261 5.482 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.377 6.940 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.121 5.350 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.013 3.857 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.897 3.632 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.469 4.001 -1.303 1.00 0.00 H new ATOM 885 N LEU A 44 6.597 4.855 -3.100 1.00 0.00 N ATOM 886 CA LEU A 44 7.654 3.888 -2.772 1.00 0.00 C ATOM 887 C LEU A 44 8.994 4.607 -2.503 1.00 0.00 C ATOM 888 O LEU A 44 9.676 4.331 -1.515 1.00 0.00 O ATOM 889 CB LEU A 44 7.767 2.841 -3.905 1.00 0.00 C ATOM 890 CG LEU A 44 6.484 2.045 -4.230 1.00 0.00 C ATOM 891 CD1 LEU A 44 6.679 1.243 -5.519 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.099 1.059 -3.131 1.00 0.00 C ATOM 0 H LEU A 44 6.266 4.781 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 44 7.393 3.363 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.092 3.351 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.551 2.132 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 44 5.688 2.783 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.770 0.684 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.897 1.924 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.510 0.549 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.190 0.531 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.906 0.341 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.925 1.600 -2.201 1.00 0.00 H new ATOM 904 N LYS A 45 9.359 5.601 -3.322 1.00 0.00 N ATOM 905 CA LYS A 45 10.534 6.472 -3.108 1.00 0.00 C ATOM 906 C LYS A 45 10.465 7.357 -1.861 1.00 0.00 C ATOM 907 O LYS A 45 11.516 7.706 -1.325 1.00 0.00 O ATOM 908 CB LYS A 45 10.775 7.315 -4.362 1.00 0.00 C ATOM 909 CG LYS A 45 11.596 6.547 -5.400 1.00 0.00 C ATOM 910 CD LYS A 45 11.244 7.121 -6.768 1.00 0.00 C ATOM 911 CE LYS A 45 12.171 6.651 -7.879 1.00 0.00 C ATOM 912 NZ LYS A 45 13.500 7.323 -7.863 1.00 0.00 N ATOM 0 H LYS A 45 8.840 5.831 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 45 11.376 5.806 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.819 7.607 -4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.296 8.233 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.663 6.652 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.368 5.482 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.220 6.843 -7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.275 8.209 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.315 5.574 -7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.693 6.831 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.058 7.009 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.368 8.354 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.003 7.076 -6.987 1.00 0.00 H new ATOM 926 N SER A 46 9.274 7.636 -1.329 1.00 0.00 N ATOM 927 CA SER A 46 9.109 8.313 -0.029 1.00 0.00 C ATOM 928 C SER A 46 9.642 7.486 1.156 1.00 0.00 C ATOM 929 O SER A 46 9.938 8.046 2.213 1.00 0.00 O ATOM 930 CB SER A 46 7.644 8.694 0.205 1.00 0.00 C ATOM 931 OG SER A 46 7.203 9.602 -0.789 1.00 0.00 O ATOM 0 H SER A 46 8.391 7.401 -1.783 1.00 0.00 H new ATOM 0 HA SER A 46 9.713 9.219 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.022 7.799 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.532 9.143 1.192 1.00 0.00 H new ATOM 0 HG SER A 46 7.247 9.171 -1.668 1.00 0.00 H new ATOM 937 N VAL A 47 9.823 6.169 0.969 1.00 0.00 N ATOM 938 CA VAL A 47 10.540 5.250 1.882 1.00 0.00 C ATOM 939 C VAL A 47 11.845 4.692 1.276 1.00 0.00 C ATOM 940 O VAL A 47 12.414 3.726 1.786 1.00 0.00 O ATOM 941 CB VAL A 47 9.618 4.151 2.455 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.383 4.740 3.144 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.143 3.147 1.400 1.00 0.00 C ATOM 0 H VAL A 47 9.460 5.690 0.144 1.00 0.00 H new ATOM 0 HA VAL A 47 10.854 5.853 2.734 1.00 0.00 H new ATOM 0 HB VAL A 47 10.237 3.626 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.763 3.932 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.697 5.383 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.809 5.324 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.500 2.403 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.585 3.671 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.006 2.652 0.955 1.00 0.00 H new ATOM 953 N GLY A 48 12.359 5.322 0.212 1.00 0.00 N ATOM 954 CA GLY A 48 13.682 5.049 -0.361 1.00 0.00 C ATOM 955 C GLY A 48 13.773 3.807 -1.258 1.00 0.00 C ATOM 956 O GLY A 48 14.827 3.171 -1.302 1.00 0.00 O ATOM 0 H GLY A 48 11.853 6.054 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.993 5.918 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.396 4.939 0.455 1.00 0.00 H new ATOM 960 N ALA A 49 12.698 3.441 -1.969 1.00 0.00 N ATOM 961 CA ALA A 49 12.655 2.229 -2.791 1.00 0.00 C ATOM 962 C ALA A 49 13.557 2.303 -4.049 1.00 0.00 C ATOM 963 O ALA A 49 14.208 1.324 -4.412 1.00 0.00 O ATOM 964 CB ALA A 49 11.185 2.014 -3.139 1.00 0.00 C ATOM 0 H ALA A 49 11.832 3.980 -1.989 1.00 0.00 H new ATOM 0 HA ALA A 49 13.061 1.382 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.084 1.120 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.608 1.890 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.811 2.878 -3.689 1.00 0.00 H new ATOM 970 N GLN A 50 13.622 3.490 -4.668 1.00 0.00 N ATOM 971 CA GLN A 50 14.525 3.951 -5.743 1.00 0.00 C ATOM 972 C GLN A 50 14.594 3.194 -7.091 1.00 0.00 C ATOM 973 O GLN A 50 14.991 3.814 -8.083 1.00 0.00 O ATOM 974 CB GLN A 50 15.939 4.205 -5.178 1.00 0.00 C ATOM 975 CG GLN A 50 16.030 5.306 -4.102 1.00 0.00 C ATOM 976 CD GLN A 50 15.764 6.733 -4.591 1.00 0.00 C ATOM 977 OE1 GLN A 50 15.299 6.991 -5.695 1.00 0.00 O ATOM 978 NE2 GLN A 50 16.030 7.730 -3.776 1.00 0.00 N ATOM 0 H GLN A 50 12.976 4.233 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 50 14.023 4.865 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.316 3.274 -4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.600 4.471 -6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 50 15.318 5.074 -3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 50 17.025 5.273 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 50 16.418 7.543 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.849 8.690 -4.069 1.00 0.00 H new ATOM 987 N LYS A 51 14.208 1.915 -7.189 1.00 0.00 N ATOM 988 CA LYS A 51 14.162 1.166 -8.464 1.00 0.00 C ATOM 989 C LYS A 51 13.090 1.713 -9.423 1.00 0.00 C ATOM 990 O LYS A 51 12.128 2.357 -9.004 1.00 0.00 O ATOM 991 CB LYS A 51 13.912 -0.337 -8.235 1.00 0.00 C ATOM 992 CG LYS A 51 14.838 -1.020 -7.217 1.00 0.00 C ATOM 993 CD LYS A 51 14.671 -2.547 -7.285 1.00 0.00 C ATOM 994 CE LYS A 51 15.597 -3.281 -6.306 1.00 0.00 C ATOM 995 NZ LYS A 51 15.072 -3.282 -4.916 1.00 0.00 N ATOM 0 H LYS A 51 13.916 1.362 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 51 15.142 1.301 -8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.881 -0.469 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.010 -0.852 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.875 -0.751 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.608 -0.667 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.635 -2.807 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.877 -2.887 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.732 -4.310 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.580 -2.810 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.852 -3.455 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.638 -2.360 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.358 -4.031 -4.815 1.00 0.00 H new ATOM 1009 N ASP A 52 13.231 1.414 -10.713 1.00 0.00 N ATOM 1010 CA ASP A 52 12.218 1.639 -11.757 1.00 0.00 C ATOM 1011 C ASP A 52 11.244 0.466 -12.016 1.00 0.00 C ATOM 1012 O ASP A 52 10.274 0.602 -12.765 1.00 0.00 O ATOM 1013 CB ASP A 52 12.833 2.211 -13.052 1.00 0.00 C ATOM 1014 CG ASP A 52 14.113 1.527 -13.581 1.00 0.00 C ATOM 1015 OD1 ASP A 52 14.622 0.550 -12.980 1.00 0.00 O ATOM 1016 OD2 ASP A 52 14.627 1.987 -14.629 1.00 0.00 O ATOM 0 H ASP A 52 14.084 0.992 -11.080 1.00 0.00 H new ATOM 0 HA ASP A 52 11.569 2.407 -11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.076 2.166 -13.835 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.056 3.265 -12.885 1.00 0.00 H new ATOM 1021 N THR A 53 11.481 -0.680 -11.369 1.00 0.00 N ATOM 1022 CA THR A 53 10.718 -1.937 -11.496 1.00 0.00 C ATOM 1023 C THR A 53 10.821 -2.653 -10.142 1.00 0.00 C ATOM 1024 O THR A 53 11.835 -2.553 -9.446 1.00 0.00 O ATOM 1025 CB THR A 53 11.347 -2.889 -12.536 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.758 -2.790 -12.588 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.819 -2.634 -13.946 1.00 0.00 C ATOM 0 H THR A 53 12.251 -0.765 -10.705 1.00 0.00 H new ATOM 0 HA THR A 53 9.698 -1.699 -11.799 1.00 0.00 H new ATOM 0 HB THR A 53 11.062 -3.886 -12.201 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.105 -3.414 -13.260 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.291 -3.328 -14.642 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.739 -2.781 -13.962 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.050 -1.611 -14.241 1.00 0.00 H new ATOM 1035 N TYR A 54 9.775 -3.402 -9.774 1.00 0.00 N ATOM 1036 CA TYR A 54 9.647 -4.057 -8.461 1.00 0.00 C ATOM 1037 C TYR A 54 8.871 -5.375 -8.491 1.00 0.00 C ATOM 1038 O TYR A 54 8.016 -5.558 -9.353 1.00 0.00 O ATOM 1039 CB TYR A 54 8.912 -3.127 -7.483 1.00 0.00 C ATOM 1040 CG TYR A 54 9.598 -1.819 -7.159 1.00 0.00 C ATOM 1041 CD1 TYR A 54 10.563 -1.748 -6.137 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.242 -0.663 -7.878 1.00 0.00 C ATOM 1043 CE1 TYR A 54 11.161 -0.512 -5.823 1.00 0.00 C ATOM 1044 CE2 TYR A 54 9.829 0.570 -7.561 1.00 0.00 C ATOM 1045 CZ TYR A 54 10.785 0.651 -6.530 1.00 0.00 C ATOM 1046 OH TYR A 54 11.361 1.847 -6.258 1.00 0.00 O ATOM 0 H TYR A 54 8.979 -3.575 -10.388 1.00 0.00 H new ATOM 0 HA TYR A 54 10.669 -4.271 -8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.928 -2.904 -7.896 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.751 -3.669 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.844 -2.639 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.516 -0.726 -8.675 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.906 -0.454 -5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.548 1.458 -8.108 1.00 0.00 H new ATOM 0 HH TYR A 54 11.688 2.250 -7.090 1.00 0.00 H new ATOM 1056 N THR A 55 9.111 -6.285 -7.548 1.00 0.00 N ATOM 1057 CA THR A 55 8.211 -7.433 -7.312 1.00 0.00 C ATOM 1058 C THR A 55 6.913 -7.032 -6.599 1.00 0.00 C ATOM 1059 O THR A 55 6.893 -6.026 -5.888 1.00 0.00 O ATOM 1060 CB THR A 55 8.882 -8.654 -6.655 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.791 -8.566 -5.247 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.353 -8.852 -7.017 1.00 0.00 C ATOM 0 H THR A 55 9.921 -6.257 -6.929 1.00 0.00 H new ATOM 0 HA THR A 55 7.939 -7.769 -8.313 1.00 0.00 H new ATOM 0 HB THR A 55 8.335 -9.511 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.220 -9.349 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.738 -9.735 -6.507 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.448 -8.985 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.925 -7.977 -6.708 1.00 0.00 H new ATOM 1070 N MET A 56 5.825 -7.804 -6.716 1.00 0.00 N ATOM 1071 CA MET A 56 4.608 -7.543 -5.921 1.00 0.00 C ATOM 1072 C MET A 56 4.864 -7.546 -4.403 1.00 0.00 C ATOM 1073 O MET A 56 4.304 -6.711 -3.687 1.00 0.00 O ATOM 1074 CB MET A 56 3.491 -8.533 -6.290 1.00 0.00 C ATOM 1075 CG MET A 56 2.735 -8.066 -7.537 1.00 0.00 C ATOM 1076 SD MET A 56 1.703 -6.598 -7.248 1.00 0.00 S ATOM 1077 CE MET A 56 1.237 -6.226 -8.956 1.00 0.00 C ATOM 0 H MET A 56 5.757 -8.605 -7.343 1.00 0.00 H new ATOM 0 HA MET A 56 4.284 -6.534 -6.176 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.919 -9.520 -6.468 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.797 -8.632 -5.455 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.453 -7.846 -8.327 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.104 -8.879 -7.896 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.486 -5.436 -8.964 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.116 -5.896 -9.509 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.828 -7.121 -9.425 1.00 0.00 H new ATOM 1087 N LYS A 57 5.758 -8.418 -3.910 1.00 0.00 N ATOM 1088 CA LYS A 57 6.206 -8.408 -2.509 1.00 0.00 C ATOM 1089 C LYS A 57 7.023 -7.161 -2.164 1.00 0.00 C ATOM 1090 O LYS A 57 6.809 -6.604 -1.094 1.00 0.00 O ATOM 1091 CB LYS A 57 6.938 -9.717 -2.164 1.00 0.00 C ATOM 1092 CG LYS A 57 7.599 -9.668 -0.773 1.00 0.00 C ATOM 1093 CD LYS A 57 7.916 -11.069 -0.239 1.00 0.00 C ATOM 1094 CE LYS A 57 8.820 -10.973 0.996 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.106 -12.314 1.572 1.00 0.00 N ATOM 0 H LYS A 57 6.191 -9.150 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 57 5.320 -8.355 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.231 -10.546 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.699 -9.915 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.518 -9.085 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.937 -9.155 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.991 -11.586 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.407 -11.659 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.757 -10.486 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.342 -10.347 1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.720 -12.210 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.214 -12.768 1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.585 -12.902 0.861 1.00 0.00 H new ATOM 1109 N GLU A 58 7.897 -6.676 -3.047 1.00 0.00 N ATOM 1110 CA GLU A 58 8.596 -5.396 -2.848 1.00 0.00 C ATOM 1111 C GLU A 58 7.638 -4.199 -2.762 1.00 0.00 C ATOM 1112 O GLU A 58 7.761 -3.390 -1.839 1.00 0.00 O ATOM 1113 CB GLU A 58 9.619 -5.139 -3.961 1.00 0.00 C ATOM 1114 CG GLU A 58 10.939 -5.890 -3.767 1.00 0.00 C ATOM 1115 CD GLU A 58 11.944 -5.508 -4.868 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.551 -5.450 -6.056 1.00 0.00 O ATOM 1117 OE2 GLU A 58 13.125 -5.237 -4.543 1.00 0.00 O ATOM 0 H GLU A 58 8.142 -7.152 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 58 9.109 -5.488 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.183 -5.429 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.824 -4.070 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.357 -5.656 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.759 -6.965 -3.788 1.00 0.00 H new ATOM 1124 N VAL A 59 6.662 -4.098 -3.677 1.00 0.00 N ATOM 1125 CA VAL A 59 5.654 -3.023 -3.648 1.00 0.00 C ATOM 1126 C VAL A 59 4.858 -3.074 -2.340 1.00 0.00 C ATOM 1127 O VAL A 59 4.773 -2.058 -1.651 1.00 0.00 O ATOM 1128 CB VAL A 59 4.709 -3.063 -4.868 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.683 -1.928 -4.821 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.464 -2.906 -6.194 1.00 0.00 C ATOM 0 H VAL A 59 6.548 -4.752 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 59 6.192 -2.076 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 59 4.223 -4.037 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.035 -1.987 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.082 -2.018 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.201 -0.969 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.756 -2.941 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.987 -1.950 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.186 -3.716 -6.300 1.00 0.00 H new ATOM 1140 N LEU A 60 4.333 -4.244 -1.954 1.00 0.00 N ATOM 1141 CA LEU A 60 3.644 -4.429 -0.670 1.00 0.00 C ATOM 1142 C LEU A 60 4.552 -4.104 0.527 1.00 0.00 C ATOM 1143 O LEU A 60 4.117 -3.397 1.432 1.00 0.00 O ATOM 1144 CB LEU A 60 3.109 -5.870 -0.560 1.00 0.00 C ATOM 1145 CG LEU A 60 1.867 -6.154 -1.425 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.594 -7.658 -1.442 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.618 -5.460 -0.876 1.00 0.00 C ATOM 0 H LEU A 60 4.374 -5.089 -2.523 1.00 0.00 H new ATOM 0 HA LEU A 60 2.809 -3.729 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.902 -6.562 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.866 -6.076 0.482 1.00 0.00 H new ATOM 0 HG LEU A 60 2.074 -5.773 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.715 -7.861 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.455 -8.179 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.417 -8.007 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.235 -5.687 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.418 -5.816 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.780 -4.382 -0.855 1.00 0.00 H new ATOM 1159 N PHE A 61 5.805 -4.562 0.542 1.00 0.00 N ATOM 1160 CA PHE A 61 6.778 -4.250 1.592 1.00 0.00 C ATOM 1161 C PHE A 61 7.013 -2.754 1.835 1.00 0.00 C ATOM 1162 O PHE A 61 6.817 -2.249 2.942 1.00 0.00 O ATOM 1163 CB PHE A 61 8.068 -5.062 1.389 1.00 0.00 C ATOM 1164 CG PHE A 61 9.273 -4.626 2.203 1.00 0.00 C ATOM 1165 CD1 PHE A 61 10.155 -3.645 1.706 1.00 0.00 C ATOM 1166 CD2 PHE A 61 9.537 -5.231 3.447 1.00 0.00 C ATOM 1167 CE1 PHE A 61 11.283 -3.265 2.455 1.00 0.00 C ATOM 1168 CE2 PHE A 61 10.666 -4.851 4.194 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.540 -3.870 3.697 1.00 0.00 C ATOM 0 H PHE A 61 6.179 -5.170 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 61 6.331 -4.570 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.856 -6.105 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.335 -5.021 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.964 -3.184 0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.870 -5.990 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.952 -2.507 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.861 -5.314 5.150 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.409 -3.581 4.269 1.00 0.00 H new ATOM 1179 N TYR A 62 7.350 -2.032 0.765 1.00 0.00 N ATOM 1180 CA TYR A 62 7.533 -0.581 0.795 1.00 0.00 C ATOM 1181 C TYR A 62 6.262 0.237 1.081 1.00 0.00 C ATOM 1182 O TYR A 62 6.302 1.204 1.842 1.00 0.00 O ATOM 1183 CB TYR A 62 8.247 -0.107 -0.477 1.00 0.00 C ATOM 1184 CG TYR A 62 9.718 -0.475 -0.613 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.660 -0.063 0.351 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.150 -1.202 -1.742 1.00 0.00 C ATOM 1187 CE1 TYR A 62 12.025 -0.370 0.187 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.511 -1.522 -1.905 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.454 -1.106 -0.941 1.00 0.00 C ATOM 1190 OH TYR A 62 13.771 -1.407 -1.114 1.00 0.00 O ATOM 0 H TYR A 62 7.505 -2.443 -0.156 1.00 0.00 H new ATOM 0 HA TYR A 62 8.166 -0.384 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.714 -0.512 -1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.161 0.978 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.334 0.490 1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.432 -1.515 -2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.744 -0.043 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.834 -2.086 -2.768 1.00 0.00 H new ATOM 0 HH TYR A 62 13.884 -1.918 -1.942 1.00 0.00 H new ATOM 1200 N LEU A 63 5.108 -0.176 0.543 1.00 0.00 N ATOM 1201 CA LEU A 63 3.807 0.408 0.864 1.00 0.00 C ATOM 1202 C LEU A 63 3.441 0.199 2.344 1.00 0.00 C ATOM 1203 O LEU A 63 2.991 1.133 3.004 1.00 0.00 O ATOM 1204 CB LEU A 63 2.761 -0.188 -0.098 1.00 0.00 C ATOM 1205 CG LEU A 63 1.303 0.179 0.218 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.073 1.685 0.241 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.379 -0.414 -0.843 1.00 0.00 C ATOM 0 H LEU A 63 5.055 -0.935 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 63 3.838 1.489 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.991 0.142 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.857 -1.274 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 63 1.088 -0.225 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.027 1.890 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.706 2.138 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.321 2.106 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.654 -0.151 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.647 -0.016 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.484 -1.499 -0.851 1.00 0.00 H new ATOM 1219 N GLY A 64 3.708 -0.985 2.900 1.00 0.00 N ATOM 1220 CA GLY A 64 3.538 -1.260 4.327 1.00 0.00 C ATOM 1221 C GLY A 64 4.430 -0.373 5.199 1.00 0.00 C ATOM 1222 O GLY A 64 3.948 0.209 6.170 1.00 0.00 O ATOM 0 H GLY A 64 4.051 -1.785 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.495 -1.106 4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.768 -2.307 4.523 1.00 0.00 H new ATOM 1226 N GLN A 65 5.696 -0.172 4.814 1.00 0.00 N ATOM 1227 CA GLN A 65 6.578 0.812 5.458 1.00 0.00 C ATOM 1228 C GLN A 65 6.060 2.258 5.346 1.00 0.00 C ATOM 1229 O GLN A 65 6.201 3.029 6.298 1.00 0.00 O ATOM 1230 CB GLN A 65 8.002 0.718 4.885 1.00 0.00 C ATOM 1231 CG GLN A 65 8.745 -0.551 5.333 1.00 0.00 C ATOM 1232 CD GLN A 65 10.225 -0.531 4.950 1.00 0.00 C ATOM 1233 OE1 GLN A 65 10.655 0.093 3.987 1.00 0.00 O ATOM 1234 NE2 GLN A 65 11.074 -1.203 5.700 1.00 0.00 N ATOM 0 H GLN A 65 6.138 -0.684 4.050 1.00 0.00 H new ATOM 0 HA GLN A 65 6.590 0.562 6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.952 0.738 3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.571 1.595 5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.655 -0.658 6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.269 -1.423 4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.737 -1.729 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.069 -1.197 5.475 1.00 0.00 H new ATOM 1243 N TYR A 66 5.425 2.631 4.228 1.00 0.00 N ATOM 1244 CA TYR A 66 4.847 3.965 4.044 1.00 0.00 C ATOM 1245 C TYR A 66 3.644 4.175 4.970 1.00 0.00 C ATOM 1246 O TYR A 66 3.614 5.139 5.732 1.00 0.00 O ATOM 1247 CB TYR A 66 4.508 4.199 2.564 1.00 0.00 C ATOM 1248 CG TYR A 66 3.934 5.572 2.259 1.00 0.00 C ATOM 1249 CD1 TYR A 66 4.813 6.625 1.941 1.00 0.00 C ATOM 1250 CD2 TYR A 66 2.542 5.800 2.271 1.00 0.00 C ATOM 1251 CE1 TYR A 66 4.311 7.898 1.616 1.00 0.00 C ATOM 1252 CE2 TYR A 66 2.035 7.077 1.948 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.920 8.125 1.609 1.00 0.00 C ATOM 1254 OH TYR A 66 2.440 9.355 1.284 1.00 0.00 O ATOM 0 H TYR A 66 5.298 2.014 3.425 1.00 0.00 H new ATOM 0 HA TYR A 66 5.586 4.715 4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.411 4.057 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.793 3.441 2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.879 6.454 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.865 4.998 2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.991 8.701 1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.970 7.253 1.960 1.00 0.00 H new ATOM 0 HH TYR A 66 1.461 9.345 1.325 1.00 0.00 H new ATOM 1264 N ILE A 67 2.705 3.222 4.996 1.00 0.00 N ATOM 1265 CA ILE A 67 1.538 3.221 5.894 1.00 0.00 C ATOM 1266 C ILE A 67 1.969 3.240 7.369 1.00 0.00 C ATOM 1267 O ILE A 67 1.393 3.979 8.170 1.00 0.00 O ATOM 1268 CB ILE A 67 0.631 2.002 5.591 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.037 2.083 4.166 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.512 1.889 6.617 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.417 0.722 3.620 1.00 0.00 C ATOM 0 H ILE A 67 2.734 2.410 4.380 1.00 0.00 H new ATOM 0 HA ILE A 67 0.965 4.130 5.713 1.00 0.00 H new ATOM 0 HB ILE A 67 1.259 1.114 5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.812 2.766 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.782 2.507 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.131 1.024 6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.093 1.771 7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.121 2.792 6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.824 0.850 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.435 0.043 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.185 0.306 4.272 1.00 0.00 H new ATOM 1283 N MET A 68 3.010 2.474 7.716 1.00 0.00 N ATOM 1284 CA MET A 68 3.599 2.413 9.056 1.00 0.00 C ATOM 1285 C MET A 68 4.178 3.765 9.499 1.00 0.00 C ATOM 1286 O MET A 68 3.820 4.260 10.566 1.00 0.00 O ATOM 1287 CB MET A 68 4.665 1.305 9.084 1.00 0.00 C ATOM 1288 CG MET A 68 5.375 1.152 10.435 1.00 0.00 C ATOM 1289 SD MET A 68 6.800 0.023 10.411 1.00 0.00 S ATOM 1290 CE MET A 68 5.981 -1.562 10.078 1.00 0.00 C ATOM 0 H MET A 68 3.479 1.861 7.050 1.00 0.00 H new ATOM 0 HA MET A 68 2.812 2.176 9.772 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.195 0.357 8.824 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.410 1.513 8.316 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.711 2.134 10.769 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.656 0.794 11.171 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.410 -2.334 10.717 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.915 -1.471 10.284 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.126 -1.834 9.033 1.00 0.00 H new ATOM 1300 N THR A 69 5.043 4.388 8.687 1.00 0.00 N ATOM 1301 CA THR A 69 5.653 5.691 9.013 1.00 0.00 C ATOM 1302 C THR A 69 4.690 6.884 8.994 1.00 0.00 C ATOM 1303 O THR A 69 4.717 7.736 9.887 1.00 0.00 O ATOM 1304 CB THR A 69 6.955 5.924 8.227 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.764 6.841 8.933 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.752 6.484 6.818 1.00 0.00 C ATOM 0 H THR A 69 5.341 4.008 7.789 1.00 0.00 H new ATOM 0 HA THR A 69 5.929 5.626 10.065 1.00 0.00 H new ATOM 0 HB THR A 69 7.416 4.942 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.596 6.992 8.438 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.721 6.617 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.149 5.789 6.234 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.242 7.445 6.879 1.00 0.00 H new ATOM 1314 N LYS A 70 3.757 6.898 8.032 1.00 0.00 N ATOM 1315 CA LYS A 70 2.657 7.875 7.927 1.00 0.00 C ATOM 1316 C LYS A 70 1.553 7.671 8.979 1.00 0.00 C ATOM 1317 O LYS A 70 0.738 8.570 9.184 1.00 0.00 O ATOM 1318 CB LYS A 70 2.068 7.809 6.508 1.00 0.00 C ATOM 1319 CG LYS A 70 3.049 8.245 5.401 1.00 0.00 C ATOM 1320 CD LYS A 70 2.946 9.726 5.014 1.00 0.00 C ATOM 1321 CE LYS A 70 1.601 10.004 4.330 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.565 11.334 3.680 1.00 0.00 N ATOM 0 H LYS A 70 3.744 6.209 7.280 1.00 0.00 H new ATOM 0 HA LYS A 70 3.075 8.862 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.741 6.788 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.182 8.442 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.067 8.038 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.872 7.637 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.046 10.349 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.764 9.992 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.409 9.232 3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.801 9.941 5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.650 11.463 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.688 12.075 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.332 11.400 2.981 1.00 0.00 H new ATOM 1336 N ARG A 71 1.535 6.506 9.645 1.00 0.00 N ATOM 1337 CA ARG A 71 0.616 6.118 10.735 1.00 0.00 C ATOM 1338 C ARG A 71 -0.866 6.210 10.334 1.00 0.00 C ATOM 1339 O ARG A 71 -1.703 6.716 11.083 1.00 0.00 O ATOM 1340 CB ARG A 71 0.991 6.865 12.034 1.00 0.00 C ATOM 1341 CG ARG A 71 2.400 6.496 12.531 1.00 0.00 C ATOM 1342 CD ARG A 71 2.879 7.453 13.628 1.00 0.00 C ATOM 1343 NE ARG A 71 4.129 6.990 14.263 1.00 0.00 N ATOM 1344 CZ ARG A 71 5.367 7.100 13.809 1.00 0.00 C ATOM 1345 NH1 ARG A 71 5.659 7.589 12.637 1.00 0.00 N ATOM 1346 NH2 ARG A 71 6.366 6.707 14.547 1.00 0.00 N ATOM 0 H ARG A 71 2.199 5.763 9.427 1.00 0.00 H new ATOM 0 HA ARG A 71 0.746 5.056 10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.939 7.940 11.861 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.261 6.631 12.809 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.396 5.475 12.914 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.099 6.520 11.695 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.035 8.444 13.201 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.103 7.552 14.387 1.00 0.00 H new ATOM 0 HE ARG A 71 4.025 6.527 15.166 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.914 7.911 12.019 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.632 7.650 12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.193 6.315 15.473 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.321 6.791 14.199 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.182 5.743 9.120 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.522 5.836 8.506 1.00 0.00 C ATOM 1362 C LEU A 72 -3.533 4.808 9.049 1.00 0.00 C ATOM 1363 O LEU A 72 -4.719 4.882 8.730 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.422 5.720 6.972 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.435 6.690 6.303 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.336 6.392 4.810 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.864 8.143 6.489 1.00 0.00 C ATOM 0 H LEU A 72 -0.501 5.278 8.519 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.907 6.818 8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.131 4.700 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.412 5.884 6.546 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.465 6.548 6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.634 7.085 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.986 5.370 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.317 6.508 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.143 8.800 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.848 8.292 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.908 8.376 7.553 1.00 0.00 H new ATOM 1379 N TYR A 73 -3.083 3.841 9.848 1.00 0.00 N ATOM 1380 CA TYR A 73 -3.958 2.898 10.548 1.00 0.00 C ATOM 1381 C TYR A 73 -4.916 3.521 11.581 1.00 0.00 C ATOM 1382 O TYR A 73 -4.580 4.516 12.226 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.170 1.705 11.107 1.00 0.00 C ATOM 1384 CG TYR A 73 -1.908 2.081 11.866 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.014 2.569 13.184 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.640 1.956 11.263 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.859 2.930 13.902 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.518 2.309 11.984 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.413 2.796 13.305 1.00 0.00 C ATOM 1390 OH TYR A 73 1.537 3.116 14.000 1.00 0.00 O ATOM 0 H TYR A 73 -2.091 3.688 10.030 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.633 2.523 9.779 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.821 1.135 11.770 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.899 1.046 10.282 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.986 2.666 13.645 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.556 1.590 10.250 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.946 3.309 14.909 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.490 2.207 11.524 1.00 0.00 H new ATOM 0 HH TYR A 73 2.324 2.963 13.437 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.098 2.933 11.775 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.020 3.319 12.851 1.00 0.00 C ATOM 1402 C ASP A 74 -6.475 3.060 14.272 1.00 0.00 C ATOM 1403 O ASP A 74 -5.971 1.972 14.559 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.423 2.753 12.593 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.387 2.801 13.782 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.373 3.787 14.553 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.177 1.846 13.935 1.00 0.00 O ATOM 0 H ASP A 74 -6.446 2.173 11.190 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.111 4.405 12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.870 3.302 11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.323 1.716 12.271 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.579 4.040 15.175 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.156 3.900 16.576 1.00 0.00 C ATOM 1414 C GLU A 75 -6.979 2.859 17.364 1.00 0.00 C ATOM 1415 O GLU A 75 -6.457 2.258 18.308 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.195 5.272 17.275 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.598 5.899 17.367 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.670 7.145 18.270 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.630 7.768 18.596 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.806 7.501 18.670 1.00 0.00 O ATOM 0 H GLU A 75 -6.961 4.960 14.955 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.133 3.524 16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.791 5.165 18.282 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.538 5.958 16.740 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.930 6.170 16.365 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.295 5.150 17.742 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.246 2.622 16.985 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.112 1.597 17.598 1.00 0.00 C ATOM 1429 C LYS A 76 -8.804 0.208 17.027 1.00 0.00 C ATOM 1430 O LYS A 76 -8.640 -0.743 17.793 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.604 1.929 17.407 1.00 0.00 C ATOM 1432 CG LYS A 76 -11.038 3.366 17.737 1.00 0.00 C ATOM 1433 CD LYS A 76 -10.755 3.784 19.191 1.00 0.00 C ATOM 1434 CE LYS A 76 -11.558 5.025 19.616 1.00 0.00 C ATOM 1435 NZ LYS A 76 -11.281 6.226 18.781 1.00 0.00 N ATOM 0 H LYS A 76 -8.704 3.142 16.236 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.900 1.592 18.667 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.869 1.723 16.370 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.187 1.247 18.026 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.525 4.054 17.065 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.106 3.467 17.541 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.995 2.955 19.857 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.690 3.988 19.306 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.622 4.794 19.565 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.331 5.256 20.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.879 7.015 19.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.280 6.490 18.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.491 6.012 17.785 1.00 0.00 H new ATOM 1449 N GLN A 77 -8.703 0.093 15.699 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.402 -1.154 14.982 1.00 0.00 C ATOM 1451 C GLN A 77 -7.273 -0.980 13.956 1.00 0.00 C ATOM 1452 O GLN A 77 -7.501 -0.542 12.828 1.00 0.00 O ATOM 1453 CB GLN A 77 -9.677 -1.685 14.301 1.00 0.00 C ATOM 1454 CG GLN A 77 -10.765 -2.176 15.269 1.00 0.00 C ATOM 1455 CD GLN A 77 -10.346 -3.356 16.151 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -9.377 -4.064 15.900 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -11.077 -3.637 17.208 1.00 0.00 N ATOM 0 H GLN A 77 -8.832 0.888 15.073 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.052 -1.881 15.715 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.095 -0.895 13.677 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.403 -2.505 13.637 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.063 -1.347 15.911 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.644 -2.464 14.692 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.888 -3.061 17.435 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.833 -4.431 17.800 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.049 -1.394 14.303 1.00 0.00 N ATOM 1467 CA GLN A 78 -4.876 -1.214 13.431 1.00 0.00 C ATOM 1468 C GLN A 78 -4.917 -2.057 12.144 1.00 0.00 C ATOM 1469 O GLN A 78 -4.164 -1.794 11.207 1.00 0.00 O ATOM 1470 CB GLN A 78 -3.579 -1.470 14.210 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.333 -0.409 15.294 1.00 0.00 C ATOM 1472 CD GLN A 78 -1.913 -0.484 15.842 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -1.654 -1.072 16.880 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -0.915 -0.078 15.085 1.00 0.00 N ATOM 0 H GLN A 78 -5.841 -1.859 15.187 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.903 -0.175 13.104 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.624 -2.456 14.673 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.737 -1.481 13.517 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.512 0.583 14.880 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.045 -0.548 16.108 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.105 0.416 14.213 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.048 -0.257 15.371 1.00 0.00 H new ATOM 1483 N HIS A 79 -5.815 -3.045 12.071 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.092 -3.815 10.856 1.00 0.00 C ATOM 1485 C HIS A 79 -6.928 -3.039 9.812 1.00 0.00 C ATOM 1486 O HIS A 79 -7.176 -3.564 8.728 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.729 -5.155 11.250 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.179 -5.106 11.667 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -8.673 -5.061 12.953 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -9.257 -5.201 10.828 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.014 -5.117 12.889 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.418 -5.229 11.612 1.00 0.00 N ATOM 0 H HIS A 79 -6.379 -3.336 12.869 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.146 -4.006 10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.638 -5.839 10.406 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.151 -5.581 12.070 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -9.219 -5.246 9.750 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -10.674 -5.078 13.743 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.378 -5.317 11.280 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.360 -1.807 10.109 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.071 -0.900 9.191 1.00 0.00 C ATOM 1502 C ILE A 80 -7.189 0.321 8.878 1.00 0.00 C ATOM 1503 O ILE A 80 -6.605 0.916 9.784 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.451 -0.495 9.770 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.242 -1.728 10.279 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.265 0.286 8.718 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.626 -1.416 10.861 1.00 0.00 C ATOM 0 H ILE A 80 -7.220 -1.396 11.032 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.267 -1.420 8.253 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.277 0.154 10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.362 -2.430 9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.649 -2.231 11.042 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.231 0.564 9.139 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.721 1.186 8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.418 -0.340 7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.100 -2.341 11.189 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.520 -0.742 11.711 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.244 -0.943 10.097 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.098 0.705 7.599 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.321 1.857 7.097 1.00 0.00 C ATOM 1521 C VAL A 81 -7.213 2.997 6.609 1.00 0.00 C ATOM 1522 O VAL A 81 -8.153 2.758 5.853 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.290 1.459 6.015 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.243 2.560 5.804 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.548 0.159 6.344 1.00 0.00 C ATOM 0 H VAL A 81 -7.581 0.206 6.852 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.760 2.225 7.956 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.875 1.311 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.535 2.246 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.739 3.478 5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.710 2.740 6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.839 -0.067 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.011 0.275 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.265 -0.657 6.433 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.900 4.231 7.010 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.584 5.476 6.641 1.00 0.00 C ATOM 1537 C TYR A 82 -6.830 6.382 5.657 1.00 0.00 C ATOM 1538 O TYR A 82 -6.313 7.442 6.017 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.171 6.184 7.873 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.441 5.541 8.398 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.360 4.393 9.210 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.700 6.078 8.066 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.534 3.782 9.687 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.878 5.468 8.540 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.798 4.315 9.353 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.928 3.716 9.817 1.00 0.00 O ATOM 0 H TYR A 82 -6.115 4.400 7.639 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.436 5.176 6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.424 6.193 8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.379 7.224 7.619 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.395 3.981 9.467 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.762 6.960 7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.468 2.903 10.311 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.842 5.881 8.282 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.713 4.207 9.497 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.721 5.930 4.407 1.00 0.00 N ATOM 1557 CA CYS A 83 -5.999 6.602 3.321 1.00 0.00 C ATOM 1558 C CYS A 83 -6.628 7.911 2.781 1.00 0.00 C ATOM 1559 O CYS A 83 -6.031 8.568 1.927 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.706 5.569 2.218 1.00 0.00 C ATOM 1561 SG CYS A 83 -7.169 4.569 1.794 1.00 0.00 S ATOM 0 H CYS A 83 -7.149 5.053 4.110 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.068 6.976 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.352 6.085 1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.902 4.910 2.546 1.00 0.00 H new ATOM 0 HG CYS A 83 -8.005 5.292 1.110 1.00 0.00 H new ATOM 1567 N SER A 84 -7.806 8.311 3.277 1.00 0.00 N ATOM 1568 CA SER A 84 -8.560 9.504 2.857 1.00 0.00 C ATOM 1569 C SER A 84 -7.713 10.780 2.750 1.00 0.00 C ATOM 1570 O SER A 84 -6.973 11.129 3.675 1.00 0.00 O ATOM 1571 CB SER A 84 -9.716 9.756 3.834 1.00 0.00 C ATOM 1572 OG SER A 84 -10.472 10.888 3.430 1.00 0.00 O ATOM 0 H SER A 84 -8.282 7.791 4.014 1.00 0.00 H new ATOM 0 HA SER A 84 -8.925 9.286 1.853 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.360 8.878 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.323 9.914 4.838 1.00 0.00 H new ATOM 0 HG SER A 84 -10.650 10.836 2.468 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.858 11.488 1.623 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.219 12.774 1.293 1.00 0.00 C ATOM 1580 C ASN A 85 -5.670 12.801 1.267 1.00 0.00 C ATOM 1581 O ASN A 85 -5.077 13.839 0.960 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.856 13.901 2.136 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.256 14.264 1.670 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.462 15.234 0.952 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.272 13.532 2.073 1.00 0.00 N ATOM 0 H ASN A 85 -8.461 11.160 0.869 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.434 12.950 0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.894 13.590 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.222 14.786 2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.221 13.775 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.111 12.722 2.671 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.000 11.679 1.540 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.548 11.507 1.401 1.00 0.00 C ATOM 1594 C ASP A 86 -3.162 11.088 -0.039 1.00 0.00 C ATOM 1595 O ASP A 86 -4.022 10.710 -0.840 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.093 10.455 2.429 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.570 10.277 2.460 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.846 11.293 2.337 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.102 9.125 2.565 1.00 0.00 O ATOM 0 H ASP A 86 -5.467 10.836 1.875 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.045 12.455 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.441 10.747 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.562 9.499 2.196 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.861 11.085 -0.360 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.311 10.502 -1.592 1.00 0.00 C ATOM 1606 C LEU A 87 -1.799 9.055 -1.792 1.00 0.00 C ATOM 1607 O LEU A 87 -2.246 8.697 -2.881 1.00 0.00 O ATOM 1608 CB LEU A 87 0.226 10.586 -1.526 1.00 0.00 C ATOM 1609 CG LEU A 87 0.979 9.836 -2.644 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.635 10.347 -4.042 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.482 10.013 -2.451 1.00 0.00 C ATOM 0 H LEU A 87 -1.147 11.496 0.241 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.664 11.064 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.517 11.636 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.553 10.192 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 87 0.676 8.791 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.196 9.780 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.433 10.223 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.896 11.403 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.015 9.483 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.732 11.073 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.774 9.609 -1.482 1.00 0.00 H new ATOM 1623 N LEU A 88 -1.784 8.241 -0.730 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.240 6.850 -0.778 1.00 0.00 C ATOM 1625 C LEU A 88 -3.730 6.704 -1.143 1.00 0.00 C ATOM 1626 O LEU A 88 -4.108 5.751 -1.825 1.00 0.00 O ATOM 1627 CB LEU A 88 -1.920 6.190 0.572 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.327 4.708 0.636 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.592 3.877 -0.416 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.010 4.148 2.015 1.00 0.00 C ATOM 0 H LEU A 88 -1.453 8.532 0.190 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.707 6.343 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.851 6.275 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.432 6.735 1.365 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.397 4.650 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.905 2.836 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.829 4.256 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.517 3.946 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.300 3.098 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.941 4.237 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.562 4.707 2.770 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.573 7.656 -0.737 1.00 0.00 N ATOM 1643 CA GLY A 89 -5.990 7.706 -1.113 1.00 0.00 C ATOM 1644 C GLY A 89 -6.216 7.835 -2.623 1.00 0.00 C ATOM 1645 O GLY A 89 -7.178 7.270 -3.146 1.00 0.00 O ATOM 0 H GLY A 89 -4.288 8.425 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.485 6.803 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.462 8.549 -0.609 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.305 8.495 -3.347 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.311 8.533 -4.815 1.00 0.00 C ATOM 1651 C ASP A 90 -4.874 7.230 -5.507 1.00 0.00 C ATOM 1652 O ASP A 90 -5.355 6.918 -6.600 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.551 9.760 -5.348 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.276 11.110 -5.174 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.486 11.151 -4.840 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.630 12.157 -5.416 1.00 0.00 O ATOM 0 H ASP A 90 -4.538 9.021 -2.929 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.361 8.634 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.586 9.817 -4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.348 9.609 -6.408 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.005 6.438 -4.862 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.644 5.090 -5.307 1.00 0.00 C ATOM 1663 C LEU A 91 -4.769 4.073 -5.052 1.00 0.00 C ATOM 1664 O LEU A 91 -5.214 3.415 -5.995 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.342 4.634 -4.620 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.012 5.162 -5.180 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.920 5.010 -6.700 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.711 6.605 -4.800 1.00 0.00 C ATOM 0 H LEU A 91 -3.529 6.722 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.487 5.133 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.400 4.920 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.310 3.545 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.256 4.534 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.038 5.397 -7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.003 3.956 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.729 5.568 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.244 6.904 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.500 7.254 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.661 6.693 -3.715 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.234 3.938 -3.806 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.339 3.036 -3.454 1.00 0.00 C ATOM 1682 C PHE A 92 -7.744 3.398 -3.964 1.00 0.00 C ATOM 1683 O PHE A 92 -8.575 2.513 -4.171 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.306 2.617 -1.971 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.328 1.505 -1.623 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.456 0.245 -2.235 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.334 1.695 -0.648 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.571 -0.802 -1.923 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.459 0.642 -0.313 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.570 -0.601 -0.960 1.00 0.00 C ATOM 0 H PHE A 92 -4.855 4.452 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.124 2.151 -4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.061 3.493 -1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.307 2.300 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.245 0.080 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.240 2.651 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.661 -1.756 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.702 0.790 0.442 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.886 -1.400 -0.716 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.015 4.686 -4.202 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.298 5.177 -4.725 1.00 0.00 C ATOM 1702 C GLY A 93 -10.460 5.137 -3.718 1.00 0.00 C ATOM 1703 O GLY A 93 -11.623 5.178 -4.127 1.00 0.00 O ATOM 0 H GLY A 93 -7.338 5.431 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.167 6.204 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.570 4.583 -5.597 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.163 5.043 -2.416 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.137 4.922 -1.312 1.00 0.00 C ATOM 1709 C VAL A 94 -10.659 5.746 -0.103 1.00 0.00 C ATOM 1710 O VAL A 94 -9.455 5.967 0.057 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.321 3.451 -0.865 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.182 2.672 -1.861 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.011 2.684 -0.645 1.00 0.00 C ATOM 0 H VAL A 94 -9.199 5.049 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.093 5.296 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.819 3.523 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.293 1.643 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.165 3.138 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.703 2.680 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.235 1.664 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.441 2.664 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.425 3.179 0.129 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.579 6.186 0.783 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.225 6.858 2.035 1.00 0.00 C ATOM 1725 C PRO A 95 -10.614 5.908 3.082 1.00 0.00 C ATOM 1726 O PRO A 95 -9.818 6.338 3.920 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.541 7.465 2.539 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.605 6.514 1.992 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.028 6.106 0.639 1.00 0.00 C ATOM 0 HA PRO A 95 -10.451 7.607 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.569 7.515 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.682 8.481 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.753 5.654 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.572 7.006 1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.339 5.096 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.379 6.769 -0.152 1.00 0.00 H new ATOM 1737 N SER A 96 -10.974 4.622 3.044 1.00 0.00 N ATOM 1738 CA SER A 96 -10.488 3.589 3.967 1.00 0.00 C ATOM 1739 C SER A 96 -10.736 2.169 3.444 1.00 0.00 C ATOM 1740 O SER A 96 -11.570 1.956 2.557 1.00 0.00 O ATOM 1741 CB SER A 96 -11.146 3.754 5.347 1.00 0.00 C ATOM 1742 OG SER A 96 -12.557 3.611 5.272 1.00 0.00 O ATOM 0 H SER A 96 -11.630 4.259 2.352 1.00 0.00 H new ATOM 0 HA SER A 96 -9.410 3.724 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.740 3.013 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.900 4.735 5.754 1.00 0.00 H new ATOM 0 HG SER A 96 -12.945 3.720 6.165 1.00 0.00 H new ATOM 1748 N PHE A 97 -10.019 1.188 4.003 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.216 -0.245 3.735 1.00 0.00 C ATOM 1750 C PHE A 97 -9.676 -1.067 4.923 1.00 0.00 C ATOM 1751 O PHE A 97 -8.849 -0.589 5.705 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.483 -0.627 2.435 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.967 -0.583 2.512 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.256 0.592 2.205 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.266 -1.735 2.911 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.850 0.606 2.293 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.866 -1.719 3.011 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.157 -0.553 2.689 1.00 0.00 C ATOM 0 H PHE A 97 -9.268 1.370 4.669 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.278 -0.459 3.615 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.787 -1.633 2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.810 0.044 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.788 1.482 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.809 -2.639 3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.304 1.507 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.336 -2.603 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.078 -0.544 2.745 1.00 0.00 H new ATOM 1768 N SER A 98 -10.121 -2.321 5.057 1.00 0.00 N ATOM 1769 CA SER A 98 -9.571 -3.286 6.021 1.00 0.00 C ATOM 1770 C SER A 98 -8.511 -4.175 5.369 1.00 0.00 C ATOM 1771 O SER A 98 -8.751 -4.759 4.315 1.00 0.00 O ATOM 1772 CB SER A 98 -10.696 -4.121 6.634 1.00 0.00 C ATOM 1773 OG SER A 98 -10.167 -5.175 7.417 1.00 0.00 O ATOM 0 H SER A 98 -10.882 -2.701 4.494 1.00 0.00 H new ATOM 0 HA SER A 98 -9.081 -2.732 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.332 -3.486 7.251 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.325 -4.529 5.843 1.00 0.00 H new ATOM 0 HG SER A 98 -10.902 -5.697 7.802 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.343 -4.328 5.998 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.226 -5.160 5.497 1.00 0.00 C ATOM 1781 C VAL A 99 -6.614 -6.642 5.345 1.00 0.00 C ATOM 1782 O VAL A 99 -6.042 -7.352 4.516 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.981 -4.988 6.385 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.753 -5.737 5.863 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.567 -3.517 6.543 1.00 0.00 C ATOM 0 H VAL A 99 -7.135 -3.872 6.887 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.984 -4.806 4.495 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.290 -5.407 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.912 -5.572 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.972 -6.803 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.498 -5.370 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.684 -3.454 7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.340 -3.096 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.383 -2.956 6.999 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.639 -7.095 6.085 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.254 -8.432 5.967 1.00 0.00 C ATOM 1797 C LYS A 100 -8.931 -8.684 4.612 1.00 0.00 C ATOM 1798 O LYS A 100 -9.118 -9.837 4.223 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.294 -8.615 7.087 1.00 0.00 C ATOM 1800 CG LYS A 100 -8.703 -8.564 8.506 1.00 0.00 C ATOM 1801 CD LYS A 100 -9.830 -8.563 9.549 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.258 -8.602 10.970 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.309 -8.330 11.983 1.00 0.00 N ATOM 0 H LYS A 100 -8.079 -6.524 6.806 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.442 -9.154 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.054 -7.839 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.797 -9.572 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.049 -9.421 8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.090 -7.670 8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.446 -7.672 9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.479 -9.424 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.813 -9.579 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.460 -7.865 11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.902 -8.413 12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.681 -7.368 11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.082 -9.018 11.875 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.300 -7.630 3.883 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.974 -7.673 2.574 1.00 0.00 C ATOM 1819 C GLU A 101 -8.984 -7.986 1.430 1.00 0.00 C ATOM 1820 O GLU A 101 -8.941 -7.286 0.415 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.766 -6.363 2.343 1.00 0.00 C ATOM 1822 CG GLU A 101 -11.857 -6.129 3.405 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.479 -4.716 3.384 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -11.801 -3.716 3.043 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.680 -4.590 3.719 1.00 0.00 O ATOM 0 H GLU A 101 -9.131 -6.675 4.200 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.690 -8.494 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.075 -5.520 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.227 -6.392 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.650 -6.863 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.430 -6.310 4.392 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.162 -9.032 1.593 1.00 0.00 N ATOM 1833 CA HIS A 102 -7.017 -9.335 0.724 1.00 0.00 C ATOM 1834 C HIS A 102 -7.382 -9.386 -0.770 1.00 0.00 C ATOM 1835 O HIS A 102 -6.695 -8.771 -1.584 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.355 -10.665 1.133 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.999 -10.851 2.592 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -5.370 -9.949 3.423 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.963 -12.061 3.235 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.981 -10.593 4.534 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.328 -11.889 4.471 1.00 0.00 N ATOM 0 H HIS A 102 -8.278 -9.706 2.350 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.316 -8.511 0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -7.024 -11.476 0.844 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.443 -10.780 0.547 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.225 -8.959 3.226 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -6.358 -12.991 2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.462 -10.134 5.362 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.491 -10.048 -1.141 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.953 -10.173 -2.540 1.00 0.00 C ATOM 1851 C ARG A 103 -9.236 -8.815 -3.197 1.00 0.00 C ATOM 1852 O ARG A 103 -8.836 -8.589 -4.341 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.180 -11.106 -2.583 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.715 -11.327 -4.011 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.784 -12.427 -4.089 1.00 0.00 C ATOM 1856 NE ARG A 103 -12.985 -12.105 -3.288 1.00 0.00 N ATOM 1857 CZ ARG A 103 -13.372 -12.657 -2.151 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -12.666 -13.560 -1.531 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -14.494 -12.298 -1.599 1.00 0.00 N ATOM 0 H ARG A 103 -9.101 -10.518 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.149 -10.612 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.913 -12.069 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.973 -10.685 -1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.135 -10.393 -4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.885 -11.588 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.074 -12.575 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.359 -13.368 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.587 -11.369 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.775 -13.868 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.004 -13.959 -0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.077 -11.589 -2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.790 -12.725 -0.722 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.874 -7.895 -2.463 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.115 -6.511 -2.909 1.00 0.00 C ATOM 1875 C LYS A 104 -8.804 -5.726 -2.989 1.00 0.00 C ATOM 1876 O LYS A 104 -8.552 -5.063 -3.993 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.137 -5.836 -1.979 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.549 -4.439 -2.486 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.564 -3.736 -1.571 1.00 0.00 C ATOM 1880 CE LYS A 104 -11.977 -3.461 -0.180 1.00 0.00 C ATOM 1881 NZ LYS A 104 -12.948 -2.780 0.712 1.00 0.00 N ATOM 0 H LYS A 104 -10.243 -8.090 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.534 -6.526 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.022 -6.466 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.713 -5.748 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.659 -3.816 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.975 -4.534 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.876 -2.796 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.456 -4.355 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.667 -4.402 0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.083 -2.845 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.634 -2.869 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.007 -1.774 0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.885 -3.220 0.606 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.936 -5.846 -1.980 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.613 -5.203 -1.984 1.00 0.00 C ATOM 1897 C ILE A 105 -5.797 -5.647 -3.205 1.00 0.00 C ATOM 1898 O ILE A 105 -5.272 -4.790 -3.907 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.868 -5.411 -0.644 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.610 -4.656 0.484 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.411 -4.915 -0.729 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -6.130 -5.006 1.898 1.00 0.00 C ATOM 0 H ILE A 105 -8.127 -6.389 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.756 -4.126 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.850 -6.479 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.491 -3.584 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.676 -4.873 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.916 -5.075 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.884 -5.467 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.402 -3.852 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.702 -4.433 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.275 -6.071 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.072 -4.763 1.994 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.761 -6.940 -3.543 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.029 -7.433 -4.714 1.00 0.00 C ATOM 1916 C TYR A 106 -5.463 -6.817 -6.052 1.00 0.00 C ATOM 1917 O TYR A 106 -4.613 -6.405 -6.844 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.047 -8.969 -4.779 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.360 -9.707 -3.638 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.131 -9.261 -3.105 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -4.971 -10.860 -3.105 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.545 -9.935 -2.016 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.384 -11.543 -2.025 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.176 -11.074 -1.473 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.620 -11.731 -0.426 1.00 0.00 O ATOM 0 H TYR A 106 -6.236 -7.672 -3.015 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.003 -7.095 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.086 -9.296 -4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.579 -9.276 -5.714 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.639 -8.400 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -5.896 -11.221 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.615 -9.581 -1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.858 -12.425 -1.620 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.737 -11.352 -0.234 1.00 0.00 H new ATOM 1935 N THR A 107 -6.774 -6.678 -6.292 1.00 0.00 N ATOM 1936 CA THR A 107 -7.288 -5.968 -7.479 1.00 0.00 C ATOM 1937 C THR A 107 -7.044 -4.453 -7.496 1.00 0.00 C ATOM 1938 O THR A 107 -6.729 -3.875 -8.540 1.00 0.00 O ATOM 1939 CB THR A 107 -8.720 -6.395 -7.853 1.00 0.00 C ATOM 1940 OG1 THR A 107 -8.903 -6.253 -9.246 1.00 0.00 O ATOM 1941 CG2 THR A 107 -9.828 -5.591 -7.175 1.00 0.00 C ATOM 0 H THR A 107 -7.502 -7.048 -5.680 1.00 0.00 H new ATOM 0 HA THR A 107 -6.658 -6.309 -8.300 1.00 0.00 H new ATOM 0 HB THR A 107 -8.805 -7.426 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.813 -6.526 -9.486 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.799 -5.964 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.743 -5.695 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.734 -4.540 -7.447 1.00 0.00 H new ATOM 1949 N MET A 108 -7.075 -3.801 -6.326 1.00 0.00 N ATOM 1950 CA MET A 108 -6.662 -2.397 -6.195 1.00 0.00 C ATOM 1951 C MET A 108 -5.149 -2.201 -6.404 1.00 0.00 C ATOM 1952 O MET A 108 -4.751 -1.230 -7.044 1.00 0.00 O ATOM 1953 CB MET A 108 -7.092 -1.811 -4.845 1.00 0.00 C ATOM 1954 CG MET A 108 -8.613 -1.753 -4.651 1.00 0.00 C ATOM 1955 SD MET A 108 -9.184 -0.840 -3.183 1.00 0.00 S ATOM 1956 CE MET A 108 -8.455 -1.792 -1.818 1.00 0.00 C ATOM 0 H MET A 108 -7.384 -4.226 -5.452 1.00 0.00 H new ATOM 0 HA MET A 108 -7.173 -1.855 -6.991 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.656 -2.409 -4.045 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.684 -0.805 -4.750 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.057 -1.297 -5.536 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.993 -2.773 -4.593 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.716 -1.325 -0.868 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.840 -2.811 -1.839 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.371 -1.812 -1.927 1.00 0.00 H new ATOM 1966 N MET A 109 -4.303 -3.130 -5.941 1.00 0.00 N ATOM 1967 CA MET A 109 -2.852 -3.132 -6.190 1.00 0.00 C ATOM 1968 C MET A 109 -2.529 -3.374 -7.670 1.00 0.00 C ATOM 1969 O MET A 109 -1.673 -2.693 -8.233 1.00 0.00 O ATOM 1970 CB MET A 109 -2.147 -4.189 -5.321 1.00 0.00 C ATOM 1971 CG MET A 109 -2.138 -3.864 -3.820 1.00 0.00 C ATOM 1972 SD MET A 109 -1.317 -2.326 -3.328 1.00 0.00 S ATOM 1973 CE MET A 109 0.405 -2.696 -3.745 1.00 0.00 C ATOM 0 H MET A 109 -4.612 -3.918 -5.371 1.00 0.00 H new ATOM 0 HA MET A 109 -2.480 -2.144 -5.919 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.637 -5.151 -5.470 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.118 -4.298 -5.664 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.171 -3.825 -3.474 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.657 -4.690 -3.296 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.039 -2.497 -2.881 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.494 -3.745 -4.026 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.720 -2.069 -4.579 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.261 -4.273 -8.337 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.171 -4.469 -9.785 1.00 0.00 C ATOM 1985 C ALA A 110 -3.550 -3.191 -10.564 1.00 0.00 C ATOM 1986 O ALA A 110 -2.906 -2.858 -11.559 1.00 0.00 O ATOM 1987 CB ALA A 110 -4.060 -5.657 -10.164 1.00 0.00 C ATOM 0 H ALA A 110 -3.936 -4.888 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.139 -4.685 -10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.008 -5.821 -11.240 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.715 -6.550 -9.643 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.091 -5.446 -9.878 1.00 0.00 H new ATOM 1993 N SER A 111 -4.510 -2.406 -10.060 1.00 0.00 N ATOM 1994 CA SER A 111 -4.863 -1.072 -10.589 1.00 0.00 C ATOM 1995 C SER A 111 -3.784 0.010 -10.365 1.00 0.00 C ATOM 1996 O SER A 111 -3.955 1.158 -10.786 1.00 0.00 O ATOM 1997 CB SER A 111 -6.216 -0.609 -10.029 1.00 0.00 C ATOM 1998 OG SER A 111 -7.254 -1.503 -10.405 1.00 0.00 O ATOM 0 H SER A 111 -5.077 -2.680 -9.258 1.00 0.00 H new ATOM 0 HA SER A 111 -4.933 -1.196 -11.670 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.162 -0.545 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.442 0.392 -10.396 1.00 0.00 H new ATOM 0 HG SER A 111 -7.192 -2.321 -9.868 1.00 0.00 H new ATOM 2004 N MET A 112 -2.655 -0.331 -9.726 1.00 0.00 N ATOM 2005 CA MET A 112 -1.454 0.513 -9.627 1.00 0.00 C ATOM 2006 C MET A 112 -0.324 0.084 -10.583 1.00 0.00 C ATOM 2007 O MET A 112 0.712 0.747 -10.624 1.00 0.00 O ATOM 2008 CB MET A 112 -0.929 0.570 -8.182 1.00 0.00 C ATOM 2009 CG MET A 112 -1.999 0.844 -7.122 1.00 0.00 C ATOM 2010 SD MET A 112 -1.339 0.970 -5.440 1.00 0.00 S ATOM 2011 CE MET A 112 -2.877 0.785 -4.501 1.00 0.00 C ATOM 0 H MET A 112 -2.549 -1.227 -9.250 1.00 0.00 H new ATOM 0 HA MET A 112 -1.770 1.510 -9.935 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.441 -0.377 -7.950 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.166 1.346 -8.118 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.516 1.771 -7.371 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.742 0.047 -7.153 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.700 1.048 -3.458 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.639 1.444 -4.917 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.219 -0.248 -4.562 1.00 0.00 H new ATOM 2021 N THR A 113 -0.492 -1.001 -11.349 1.00 0.00 N ATOM 2022 CA THR A 113 0.519 -1.541 -12.287 1.00 0.00 C ATOM 2023 C THR A 113 0.019 -1.890 -13.698 1.00 0.00 C ATOM 2024 O THR A 113 0.753 -1.724 -14.675 1.00 0.00 O ATOM 2025 CB THR A 113 1.382 -2.668 -11.676 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.782 -3.921 -11.920 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.612 -2.576 -10.162 1.00 0.00 C ATOM 0 H THR A 113 -1.354 -1.546 -11.339 1.00 0.00 H new ATOM 0 HA THR A 113 1.171 -0.682 -12.448 1.00 0.00 H new ATOM 0 HB THR A 113 2.351 -2.553 -12.162 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.336 -4.630 -11.531 1.00 0.00 H new ATOM 0 HG21 THR A 113 2.229 -3.414 -9.836 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.118 -1.640 -9.927 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.653 -2.609 -9.646 1.00 0.00 H new