USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 607 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: C 60 MET CE :methyl 149:sc= -0.842! (180deg=-3.59!) USER MOD Set 1.2: C 80 MET CE :methyl -144:sc= -2.12 (180deg=-4.47!) USER MOD Set 2.1: C 69 SER OG : rot 117:sc= 0.627 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0.429 USER MOD Set 3.1: C 45 MET CE :methyl -127:sc= -3.13 (180deg=-5.74!) USER MOD Set 3.2: C 50 GLN : amide:sc= 0.148 K(o=-5.3,f=-9.2) USER MOD Set 3.3: C 81 MET CE :methyl -175:sc= -2.76 (180deg=-2.54!) USER MOD Set 3.4: C 84 SER OG : rot -156:sc= 0.424 USER MOD Set 4.1: C 38 THR OG1 : rot 167:sc= 0.00226 USER MOD Set 4.2: C 58 GLN : amide:sc= -0.808 K(o=-0.81,f=-3.4!) USER MOD Set 5.1: C 16 GLN : amide:sc= 0.408 K(o=0.38,f=-4.5) USER MOD Set 5.2: C 85 MET CE :methyl -101:sc= -0.0296 (180deg=0) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 145:sc= 0.511 (180deg=-0.388) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : C 13 THR OG1 : rot -101:sc= -0.374 USER MOD Single : C 17 LYS NZ :NH3+ -174:sc= 2.09 (180deg=1.98) USER MOD Single : C 18 ASN : amide:sc= -0.324 K(o=-0.32,f=-0.88) USER MOD Single : C 21 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0.813) USER MOD Single : C 29 GLN : amide:sc= -0.584 K(o=-0.58,f=-1.9) USER MOD Single : C 35 SER OG : rot 180:sc= 0 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ -161:sc= -0.0807 (180deg=-0.308) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -166:sc= -0.307 (180deg=-0.551) USER MOD Single : C 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 53 THR OG1 : rot -150:sc= -1.14! USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 63.071 -11.816 -1.461 1.00 0.00 N ATOM 64 CA TYR C 5 63.603 -10.520 -0.923 1.00 0.00 C ATOM 65 C TYR C 5 62.772 -9.342 -1.450 1.00 0.00 C ATOM 66 O TYR C 5 62.408 -8.447 -0.708 1.00 0.00 O ATOM 67 CB TYR C 5 65.050 -10.446 -1.428 1.00 0.00 C ATOM 68 CG TYR C 5 65.960 -11.169 -0.459 1.00 0.00 C ATOM 69 CD1 TYR C 5 66.214 -10.622 0.804 1.00 0.00 C ATOM 70 CD2 TYR C 5 66.550 -12.388 -0.825 1.00 0.00 C ATOM 71 CE1 TYR C 5 67.054 -11.291 1.700 1.00 0.00 C ATOM 72 CE2 TYR C 5 67.391 -13.056 0.074 1.00 0.00 C ATOM 73 CZ TYR C 5 67.644 -12.506 1.335 1.00 0.00 C ATOM 74 OH TYR C 5 68.476 -13.161 2.220 1.00 0.00 O ATOM 0 HA TYR C 5 63.553 -10.469 0.165 1.00 0.00 H new ATOM 0 HB2 TYR C 5 65.124 -10.896 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR C 5 65.359 -9.405 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR C 5 65.761 -9.683 1.087 1.00 0.00 H new ATOM 0 HD2 TYR C 5 66.356 -12.811 -1.799 1.00 0.00 H new ATOM 0 HE1 TYR C 5 67.248 -10.869 2.675 1.00 0.00 H new ATOM 0 HE2 TYR C 5 67.844 -13.995 -0.206 1.00 0.00 H new ATOM 0 HH TYR C 5 68.801 -13.990 1.811 1.00 0.00 H new ATOM 84 N LYS C 6 62.456 -9.348 -2.720 1.00 0.00 N ATOM 85 CA LYS C 6 61.631 -8.243 -3.301 1.00 0.00 C ATOM 86 C LYS C 6 60.172 -8.373 -2.827 1.00 0.00 C ATOM 87 O LYS C 6 59.501 -7.383 -2.607 1.00 0.00 O ATOM 88 CB LYS C 6 61.741 -8.422 -4.818 1.00 0.00 C ATOM 89 CG LYS C 6 63.135 -7.985 -5.291 1.00 0.00 C ATOM 90 CD LYS C 6 63.105 -7.701 -6.798 1.00 0.00 C ATOM 91 CE LYS C 6 63.256 -9.011 -7.583 1.00 0.00 C ATOM 92 NZ LYS C 6 64.727 -9.218 -7.714 1.00 0.00 N1+ ATOM 0 H LYS C 6 62.734 -10.072 -3.382 1.00 0.00 H new ATOM 0 HA LYS C 6 61.972 -7.255 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS C 6 61.566 -9.464 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS C 6 60.974 -7.832 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS C 6 63.450 -7.093 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS C 6 63.865 -8.765 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS C 6 62.168 -7.213 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS C 6 63.909 -7.014 -7.063 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.786 -9.842 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS C 6 62.779 -8.942 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 64.940 -10.235 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 65.051 -8.837 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 65.217 -8.727 -6.939 1.00 0.00 H new ATOM 106 N ALA C 7 59.685 -9.588 -2.646 1.00 0.00 N ATOM 107 CA ALA C 7 58.275 -9.778 -2.159 1.00 0.00 C ATOM 108 C ALA C 7 58.058 -8.991 -0.860 1.00 0.00 C ATOM 109 O ALA C 7 57.009 -8.414 -0.644 1.00 0.00 O ATOM 110 CB ALA C 7 58.127 -11.282 -1.895 1.00 0.00 C ATOM 0 H ALA C 7 60.203 -10.450 -2.814 1.00 0.00 H new ATOM 0 HA ALA C 7 57.544 -9.422 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA C 7 57.119 -11.491 -1.536 1.00 0.00 H new ATOM 0 HB2 ALA C 7 58.305 -11.833 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA C 7 58.852 -11.592 -1.142 1.00 0.00 H new ATOM 116 N ALA C 8 59.056 -8.960 -0.002 1.00 0.00 N ATOM 117 CA ALA C 8 58.930 -8.205 1.285 1.00 0.00 C ATOM 118 C ALA C 8 58.720 -6.709 1.003 1.00 0.00 C ATOM 119 O ALA C 8 57.886 -6.074 1.612 1.00 0.00 O ATOM 120 CB ALA C 8 60.257 -8.432 2.024 1.00 0.00 C ATOM 0 H ALA C 8 59.952 -9.427 -0.141 1.00 0.00 H new ATOM 0 HA ALA C 8 58.078 -8.543 1.875 1.00 0.00 H new ATOM 0 HB1 ALA C 8 60.236 -7.906 2.979 1.00 0.00 H new ATOM 0 HB2 ALA C 8 60.398 -9.498 2.200 1.00 0.00 H new ATOM 0 HB3 ALA C 8 61.080 -8.053 1.419 1.00 0.00 H new ATOM 126 N VAL C 9 59.472 -6.148 0.083 1.00 0.00 N ATOM 127 CA VAL C 9 59.319 -4.689 -0.243 1.00 0.00 C ATOM 128 C VAL C 9 57.877 -4.391 -0.679 1.00 0.00 C ATOM 129 O VAL C 9 57.261 -3.455 -0.207 1.00 0.00 O ATOM 130 CB VAL C 9 60.312 -4.421 -1.384 1.00 0.00 C ATOM 131 CG1 VAL C 9 60.186 -2.969 -1.854 1.00 0.00 C ATOM 132 CG2 VAL C 9 61.742 -4.671 -0.881 1.00 0.00 C ATOM 0 H VAL C 9 60.186 -6.637 -0.457 1.00 0.00 H new ATOM 0 HA VAL C 9 59.521 -4.050 0.616 1.00 0.00 H new ATOM 0 HB VAL C 9 60.091 -5.088 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL C 9 60.893 -2.786 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL C 9 59.172 -2.789 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL C 9 60.403 -2.298 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL C 9 62.450 -4.482 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL C 9 61.956 -4.003 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL C 9 61.836 -5.706 -0.551 1.00 0.00 H new ATOM 142 N GLU C 10 57.334 -5.183 -1.571 1.00 0.00 N ATOM 143 CA GLU C 10 55.929 -4.948 -2.032 1.00 0.00 C ATOM 144 C GLU C 10 54.918 -5.284 -0.914 1.00 0.00 C ATOM 145 O GLU C 10 53.930 -4.593 -0.744 1.00 0.00 O ATOM 146 CB GLU C 10 55.741 -5.881 -3.232 1.00 0.00 C ATOM 147 CG GLU C 10 56.651 -5.438 -4.391 1.00 0.00 C ATOM 148 CD GLU C 10 56.227 -4.063 -4.916 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.295 -4.009 -5.700 1.00 0.00 O1- ATOM 150 OE2 GLU C 10 56.853 -3.088 -4.535 1.00 0.00 O ATOM 0 H GLU C 10 57.802 -5.981 -2.000 1.00 0.00 H new ATOM 0 HA GLU C 10 55.758 -3.904 -2.296 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.976 -6.906 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.699 -5.870 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU C 10 57.687 -5.400 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.605 -6.171 -5.197 1.00 0.00 H new ATOM 157 N GLN C 11 55.153 -6.333 -0.151 1.00 0.00 N ATOM 158 CA GLN C 11 54.192 -6.699 0.950 1.00 0.00 C ATOM 159 C GLN C 11 54.602 -6.058 2.290 1.00 0.00 C ATOM 160 O GLN C 11 54.219 -6.526 3.348 1.00 0.00 O ATOM 161 CB GLN C 11 54.242 -8.232 1.049 1.00 0.00 C ATOM 162 CG GLN C 11 53.371 -8.850 -0.052 1.00 0.00 C ATOM 163 CD GLN C 11 51.941 -9.055 0.466 1.00 0.00 C ATOM 164 OE1 GLN C 11 51.127 -8.158 0.407 1.00 0.00 O ATOM 165 NE2 GLN C 11 51.599 -10.206 0.972 1.00 0.00 N ATOM 0 H GLN C 11 55.962 -6.947 -0.241 1.00 0.00 H new ATOM 0 HA GLN C 11 53.188 -6.336 0.732 1.00 0.00 H new ATOM 0 HB2 GLN C 11 55.271 -8.579 0.950 1.00 0.00 H new ATOM 0 HB3 GLN C 11 53.890 -8.554 2.029 1.00 0.00 H new ATOM 0 HG2 GLN C 11 53.360 -8.200 -0.927 1.00 0.00 H new ATOM 0 HG3 GLN C 11 53.793 -9.804 -0.369 1.00 0.00 H new ATOM 0 HE21 GLN C 11 52.280 -10.963 1.024 1.00 0.00 H new ATOM 0 HE22 GLN C 11 50.650 -10.350 1.317 1.00 0.00 H new ATOM 174 N LEU C 12 55.369 -4.992 2.262 1.00 0.00 N ATOM 175 CA LEU C 12 55.782 -4.333 3.539 1.00 0.00 C ATOM 176 C LEU C 12 54.637 -3.475 4.094 1.00 0.00 C ATOM 177 O LEU C 12 53.652 -3.222 3.422 1.00 0.00 O ATOM 178 CB LEU C 12 56.981 -3.448 3.179 1.00 0.00 C ATOM 179 CG LEU C 12 58.265 -4.074 3.737 1.00 0.00 C ATOM 180 CD1 LEU C 12 59.488 -3.386 3.125 1.00 0.00 C ATOM 181 CD2 LEU C 12 58.303 -3.900 5.259 1.00 0.00 C ATOM 0 H LEU C 12 55.724 -4.553 1.413 1.00 0.00 H new ATOM 0 HA LEU C 12 56.035 -5.066 4.305 1.00 0.00 H new ATOM 0 HB2 LEU C 12 57.056 -3.342 2.097 1.00 0.00 H new ATOM 0 HB3 LEU C 12 56.844 -2.447 3.589 1.00 0.00 H new ATOM 0 HG LEU C 12 58.280 -5.135 3.486 1.00 0.00 H new ATOM 0 HD11 LEU C 12 60.397 -3.835 3.526 1.00 0.00 H new ATOM 0 HD12 LEU C 12 59.470 -3.508 2.042 1.00 0.00 H new ATOM 0 HD13 LEU C 12 59.469 -2.324 3.371 1.00 0.00 H new ATOM 0 HD21 LEU C 12 59.216 -4.346 5.653 1.00 0.00 H new ATOM 0 HD22 LEU C 12 58.282 -2.838 5.504 1.00 0.00 H new ATOM 0 HD23 LEU C 12 57.438 -4.392 5.703 1.00 0.00 H new ATOM 193 N THR C 13 54.764 -3.020 5.312 1.00 0.00 N ATOM 194 CA THR C 13 53.690 -2.170 5.917 1.00 0.00 C ATOM 195 C THR C 13 53.683 -0.784 5.271 1.00 0.00 C ATOM 196 O THR C 13 54.698 -0.296 4.808 1.00 0.00 O ATOM 197 CB THR C 13 54.031 -2.069 7.410 1.00 0.00 C ATOM 198 OG1 THR C 13 55.440 -1.975 7.571 1.00 0.00 O ATOM 199 CG2 THR C 13 53.518 -3.312 8.140 1.00 0.00 C ATOM 0 H THR C 13 55.565 -3.199 5.917 1.00 0.00 H new ATOM 0 HA THR C 13 52.700 -2.598 5.762 1.00 0.00 H new ATOM 0 HB THR C 13 53.557 -1.181 7.828 1.00 0.00 H new ATOM 0 HG1 THR C 13 55.798 -2.849 7.833 1.00 0.00 H new ATOM 0 HG21 THR C 13 53.761 -3.238 9.200 1.00 0.00 H new ATOM 0 HG22 THR C 13 52.437 -3.384 8.020 1.00 0.00 H new ATOM 0 HG23 THR C 13 53.990 -4.201 7.721 1.00 0.00 H new ATOM 207 N GLU C 14 52.540 -0.155 5.240 1.00 0.00 N ATOM 208 CA GLU C 14 52.432 1.204 4.628 1.00 0.00 C ATOM 209 C GLU C 14 53.388 2.179 5.323 1.00 0.00 C ATOM 210 O GLU C 14 53.978 3.036 4.692 1.00 0.00 O ATOM 211 CB GLU C 14 50.976 1.613 4.859 1.00 0.00 C ATOM 212 CG GLU C 14 50.065 0.813 3.924 1.00 0.00 C ATOM 213 CD GLU C 14 50.412 1.124 2.466 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.968 2.150 1.978 1.00 0.00 O1- ATOM 215 OE2 GLU C 14 51.115 0.329 1.864 1.00 0.00 O ATOM 0 H GLU C 14 51.667 -0.526 5.615 1.00 0.00 H new ATOM 0 HA GLU C 14 52.698 1.210 3.571 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.697 1.433 5.897 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.854 2.681 4.677 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.181 -0.254 4.115 1.00 0.00 H new ATOM 0 HG3 GLU C 14 49.022 1.061 4.119 1.00 0.00 H new ATOM 222 N GLU C 15 53.549 2.040 6.618 1.00 0.00 N ATOM 223 CA GLU C 15 54.474 2.941 7.376 1.00 0.00 C ATOM 224 C GLU C 15 55.883 2.879 6.775 1.00 0.00 C ATOM 225 O GLU C 15 56.528 3.890 6.597 1.00 0.00 O ATOM 226 CB GLU C 15 54.474 2.406 8.817 1.00 0.00 C ATOM 227 CG GLU C 15 53.097 2.636 9.461 1.00 0.00 C ATOM 228 CD GLU C 15 52.344 1.304 9.574 1.00 0.00 C ATOM 229 OE1 GLU C 15 51.881 0.816 8.556 1.00 0.00 O1- ATOM 230 OE2 GLU C 15 52.239 0.797 10.678 1.00 0.00 O ATOM 0 H GLU C 15 53.076 1.336 7.185 1.00 0.00 H new ATOM 0 HA GLU C 15 54.157 3.983 7.335 1.00 0.00 H new ATOM 0 HB2 GLU C 15 54.713 1.343 8.819 1.00 0.00 H new ATOM 0 HB3 GLU C 15 55.246 2.908 9.400 1.00 0.00 H new ATOM 0 HG2 GLU C 15 53.218 3.080 10.449 1.00 0.00 H new ATOM 0 HG3 GLU C 15 52.519 3.341 8.863 1.00 0.00 H new ATOM 237 N GLN C 16 56.356 1.697 6.453 1.00 0.00 N ATOM 238 CA GLN C 16 57.724 1.563 5.852 1.00 0.00 C ATOM 239 C GLN C 16 57.763 2.240 4.483 1.00 0.00 C ATOM 240 O GLN C 16 58.655 3.012 4.185 1.00 0.00 O ATOM 241 CB GLN C 16 57.949 0.057 5.701 1.00 0.00 C ATOM 242 CG GLN C 16 58.160 -0.571 7.075 1.00 0.00 C ATOM 243 CD GLN C 16 59.659 -0.683 7.355 1.00 0.00 C ATOM 244 OE1 GLN C 16 60.273 -1.682 7.042 1.00 0.00 O ATOM 245 NE2 GLN C 16 60.280 0.308 7.930 1.00 0.00 N ATOM 0 H GLN C 16 55.854 0.818 6.580 1.00 0.00 H new ATOM 0 HA GLN C 16 58.491 2.032 6.468 1.00 0.00 H new ATOM 0 HB2 GLN C 16 57.091 -0.401 5.209 1.00 0.00 H new ATOM 0 HB3 GLN C 16 58.817 -0.129 5.068 1.00 0.00 H new ATOM 0 HG2 GLN C 16 57.679 0.036 7.842 1.00 0.00 H new ATOM 0 HG3 GLN C 16 57.697 -1.557 7.112 1.00 0.00 H new ATOM 0 HE21 GLN C 16 59.765 1.148 8.194 1.00 0.00 H new ATOM 0 HE22 GLN C 16 61.281 0.243 8.116 1.00 0.00 H new ATOM 254 N LYS C 17 56.798 1.950 3.654 1.00 0.00 N ATOM 255 CA LYS C 17 56.754 2.566 2.288 1.00 0.00 C ATOM 256 C LYS C 17 56.680 4.104 2.376 1.00 0.00 C ATOM 257 O LYS C 17 57.164 4.804 1.504 1.00 0.00 O ATOM 258 CB LYS C 17 55.480 2.009 1.648 1.00 0.00 C ATOM 259 CG LYS C 17 55.708 0.558 1.206 1.00 0.00 C ATOM 260 CD LYS C 17 54.412 -0.245 1.380 1.00 0.00 C ATOM 261 CE LYS C 17 54.457 -1.484 0.480 1.00 0.00 C ATOM 262 NZ LYS C 17 53.262 -2.291 0.860 1.00 0.00 N1+ ATOM 0 H LYS C 17 56.032 1.310 3.861 1.00 0.00 H new ATOM 0 HA LYS C 17 57.648 2.332 1.710 1.00 0.00 H new ATOM 0 HB2 LYS C 17 54.655 2.056 2.359 1.00 0.00 H new ATOM 0 HB3 LYS C 17 55.197 2.619 0.790 1.00 0.00 H new ATOM 0 HG2 LYS C 17 56.027 0.531 0.164 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.507 0.109 1.796 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.293 -0.543 2.422 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.551 0.373 1.124 1.00 0.00 H new ATOM 0 HE2 LYS C 17 54.425 -1.206 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.377 -2.048 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 53.283 -3.201 0.357 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 53.270 -2.462 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 52.397 -1.773 0.602 1.00 0.00 H new ATOM 276 N ASN C 18 56.077 4.631 3.416 1.00 0.00 N ATOM 277 CA ASN C 18 55.972 6.117 3.554 1.00 0.00 C ATOM 278 C ASN C 18 57.256 6.686 4.197 1.00 0.00 C ATOM 279 O ASN C 18 57.792 7.674 3.735 1.00 0.00 O ATOM 280 CB ASN C 18 54.717 6.345 4.425 1.00 0.00 C ATOM 281 CG ASN C 18 55.062 7.096 5.716 1.00 0.00 C ATOM 282 OD1 ASN C 18 55.206 6.496 6.760 1.00 0.00 O ATOM 283 ND2 ASN C 18 55.205 8.391 5.687 1.00 0.00 N ATOM 0 H ASN C 18 55.654 4.096 4.174 1.00 0.00 H new ATOM 0 HA ASN C 18 55.876 6.631 2.598 1.00 0.00 H new ATOM 0 HB2 ASN C 18 53.977 6.911 3.859 1.00 0.00 H new ATOM 0 HB3 ASN C 18 54.263 5.385 4.671 1.00 0.00 H new ATOM 0 HD21 ASN C 18 55.438 8.898 6.541 1.00 0.00 H new ATOM 0 HD22 ASN C 18 55.084 8.898 4.810 1.00 0.00 H new ATOM 290 N GLU C 19 57.761 6.071 5.248 1.00 0.00 N ATOM 291 CA GLU C 19 59.013 6.598 5.891 1.00 0.00 C ATOM 292 C GLU C 19 60.217 6.452 4.942 1.00 0.00 C ATOM 293 O GLU C 19 61.101 7.289 4.929 1.00 0.00 O ATOM 294 CB GLU C 19 59.217 5.773 7.172 1.00 0.00 C ATOM 295 CG GLU C 19 59.574 4.319 6.830 1.00 0.00 C ATOM 296 CD GLU C 19 60.013 3.585 8.097 1.00 0.00 C ATOM 297 OE1 GLU C 19 61.174 3.697 8.450 1.00 0.00 O1- ATOM 298 OE2 GLU C 19 59.183 2.915 8.690 1.00 0.00 O ATOM 0 H GLU C 19 57.365 5.237 5.683 1.00 0.00 H new ATOM 0 HA GLU C 19 58.925 7.660 6.119 1.00 0.00 H new ATOM 0 HB2 GLU C 19 60.011 6.216 7.773 1.00 0.00 H new ATOM 0 HB3 GLU C 19 58.309 5.798 7.775 1.00 0.00 H new ATOM 0 HG2 GLU C 19 58.713 3.818 6.387 1.00 0.00 H new ATOM 0 HG3 GLU C 19 60.373 4.295 6.089 1.00 0.00 H new ATOM 305 N PHE C 20 60.255 5.406 4.150 1.00 0.00 N ATOM 306 CA PHE C 20 61.403 5.218 3.202 1.00 0.00 C ATOM 307 C PHE C 20 61.459 6.378 2.203 1.00 0.00 C ATOM 308 O PHE C 20 62.517 6.905 1.911 1.00 0.00 O ATOM 309 CB PHE C 20 61.118 3.900 2.468 1.00 0.00 C ATOM 310 CG PHE C 20 61.656 2.726 3.263 1.00 0.00 C ATOM 311 CD1 PHE C 20 61.778 2.811 4.654 1.00 0.00 C ATOM 312 CD2 PHE C 20 62.024 1.549 2.602 1.00 0.00 C ATOM 313 CE1 PHE C 20 62.266 1.725 5.382 1.00 0.00 C ATOM 314 CE2 PHE C 20 62.514 0.460 3.332 1.00 0.00 C ATOM 315 CZ PHE C 20 62.634 0.548 4.722 1.00 0.00 C ATOM 0 H PHE C 20 59.544 4.676 4.118 1.00 0.00 H new ATOM 0 HA PHE C 20 62.360 5.193 3.724 1.00 0.00 H new ATOM 0 HB2 PHE C 20 60.045 3.785 2.318 1.00 0.00 H new ATOM 0 HB3 PHE C 20 61.578 3.920 1.480 1.00 0.00 H new ATOM 0 HD1 PHE C 20 61.494 3.719 5.165 1.00 0.00 H new ATOM 0 HD2 PHE C 20 61.930 1.481 1.528 1.00 0.00 H new ATOM 0 HE1 PHE C 20 62.360 1.793 6.456 1.00 0.00 H new ATOM 0 HE2 PHE C 20 62.799 -0.448 2.822 1.00 0.00 H new ATOM 0 HZ PHE C 20 63.011 -0.292 5.286 1.00 0.00 H new ATOM 325 N LYS C 21 60.328 6.776 1.678 1.00 0.00 N ATOM 326 CA LYS C 21 60.305 7.903 0.696 1.00 0.00 C ATOM 327 C LYS C 21 60.843 9.193 1.337 1.00 0.00 C ATOM 328 O LYS C 21 61.629 9.903 0.740 1.00 0.00 O ATOM 329 CB LYS C 21 58.832 8.058 0.319 1.00 0.00 C ATOM 330 CG LYS C 21 58.723 8.653 -1.083 1.00 0.00 C ATOM 331 CD LYS C 21 58.809 10.176 -0.998 1.00 0.00 C ATOM 332 CE LYS C 21 58.049 10.796 -2.167 1.00 0.00 C ATOM 333 NZ LYS C 21 58.535 12.202 -2.241 1.00 0.00 N1+ ATOM 0 H LYS C 21 59.417 6.368 1.888 1.00 0.00 H new ATOM 0 HA LYS C 21 60.934 7.707 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS C 21 58.333 7.089 0.354 1.00 0.00 H new ATOM 0 HB3 LYS C 21 58.328 8.702 1.039 1.00 0.00 H new ATOM 0 HG2 LYS C 21 59.522 8.268 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.781 8.356 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.389 10.522 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.852 10.494 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS C 21 58.248 10.260 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS C 21 56.972 10.759 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 58.493 12.532 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 57.935 12.809 -1.646 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 59.517 12.248 -1.902 1.00 0.00 H new ATOM 347 N ALA C 22 60.429 9.495 2.545 1.00 0.00 N ATOM 348 CA ALA C 22 60.921 10.737 3.225 1.00 0.00 C ATOM 349 C ALA C 22 62.444 10.678 3.432 1.00 0.00 C ATOM 350 O ALA C 22 63.135 11.657 3.227 1.00 0.00 O ATOM 351 CB ALA C 22 60.199 10.777 4.574 1.00 0.00 C ATOM 0 H ALA C 22 59.772 8.936 3.089 1.00 0.00 H new ATOM 0 HA ALA C 22 60.720 11.627 2.629 1.00 0.00 H new ATOM 0 HB1 ALA C 22 60.511 11.662 5.128 1.00 0.00 H new ATOM 0 HB2 ALA C 22 59.122 10.813 4.409 1.00 0.00 H new ATOM 0 HB3 ALA C 22 60.449 9.884 5.147 1.00 0.00 H new ATOM 357 N ALA C 23 62.972 9.545 3.840 1.00 0.00 N ATOM 358 CA ALA C 23 64.452 9.440 4.057 1.00 0.00 C ATOM 359 C ALA C 23 65.204 9.549 2.722 1.00 0.00 C ATOM 360 O ALA C 23 66.164 10.282 2.607 1.00 0.00 O ATOM 361 CB ALA C 23 64.681 8.063 4.686 1.00 0.00 C ATOM 0 H ALA C 23 62.444 8.693 4.031 1.00 0.00 H new ATOM 0 HA ALA C 23 64.820 10.243 4.695 1.00 0.00 H new ATOM 0 HB1 ALA C 23 65.746 7.920 4.871 1.00 0.00 H new ATOM 0 HB2 ALA C 23 64.137 7.998 5.628 1.00 0.00 H new ATOM 0 HB3 ALA C 23 64.324 7.289 4.007 1.00 0.00 H new ATOM 367 N PHE C 24 64.772 8.824 1.716 1.00 0.00 N ATOM 368 CA PHE C 24 65.460 8.885 0.387 1.00 0.00 C ATOM 369 C PHE C 24 65.479 10.320 -0.161 1.00 0.00 C ATOM 370 O PHE C 24 66.450 10.747 -0.756 1.00 0.00 O ATOM 371 CB PHE C 24 64.638 7.979 -0.530 1.00 0.00 C ATOM 372 CG PHE C 24 65.490 7.550 -1.698 1.00 0.00 C ATOM 373 CD1 PHE C 24 66.605 6.732 -1.487 1.00 0.00 C ATOM 374 CD2 PHE C 24 65.169 7.979 -2.991 1.00 0.00 C ATOM 375 CE1 PHE C 24 67.399 6.341 -2.572 1.00 0.00 C ATOM 376 CE2 PHE C 24 65.963 7.590 -4.075 1.00 0.00 C ATOM 377 CZ PHE C 24 67.078 6.771 -3.866 1.00 0.00 C ATOM 0 H PHE C 24 63.972 8.193 1.759 1.00 0.00 H new ATOM 0 HA PHE C 24 66.500 8.567 0.460 1.00 0.00 H new ATOM 0 HB2 PHE C 24 64.288 7.106 0.020 1.00 0.00 H new ATOM 0 HB3 PHE C 24 63.753 8.507 -0.885 1.00 0.00 H new ATOM 0 HD1 PHE C 24 66.853 6.403 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE C 24 64.308 8.611 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE C 24 68.259 5.708 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE C 24 65.716 7.922 -5.073 1.00 0.00 H new ATOM 0 HZ PHE C 24 67.691 6.470 -4.703 1.00 0.00 H new ATOM 387 N ASP C 25 64.416 11.063 0.025 1.00 0.00 N ATOM 388 CA ASP C 25 64.368 12.466 -0.497 1.00 0.00 C ATOM 389 C ASP C 25 65.493 13.331 0.100 1.00 0.00 C ATOM 390 O ASP C 25 65.976 14.244 -0.541 1.00 0.00 O ATOM 391 CB ASP C 25 62.996 12.998 -0.079 1.00 0.00 C ATOM 392 CG ASP C 25 62.138 13.231 -1.322 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.378 14.212 -2.002 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.258 12.427 -1.572 1.00 0.00 O1- ATOM 0 H ASP C 25 63.576 10.758 0.517 1.00 0.00 H new ATOM 0 HA ASP C 25 64.511 12.495 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP C 25 62.506 12.287 0.586 1.00 0.00 H new ATOM 0 HB3 ASP C 25 63.109 13.929 0.477 1.00 0.00 H new ATOM 399 N ILE C 26 65.910 13.050 1.317 1.00 0.00 N ATOM 400 CA ILE C 26 67.006 13.856 1.963 1.00 0.00 C ATOM 401 C ILE C 26 68.222 13.970 1.034 1.00 0.00 C ATOM 402 O ILE C 26 68.821 15.023 0.916 1.00 0.00 O ATOM 403 CB ILE C 26 67.365 13.091 3.245 1.00 0.00 C ATOM 404 CG1 ILE C 26 66.229 13.256 4.258 1.00 0.00 C ATOM 405 CG2 ILE C 26 68.665 13.645 3.847 1.00 0.00 C ATOM 406 CD1 ILE C 26 66.378 12.222 5.376 1.00 0.00 C ATOM 0 H ILE C 26 65.538 12.295 1.893 1.00 0.00 H new ATOM 0 HA ILE C 26 66.688 14.877 2.175 1.00 0.00 H new ATOM 0 HB ILE C 26 67.506 12.037 3.007 1.00 0.00 H new ATOM 0 HG12 ILE C 26 66.246 14.262 4.676 1.00 0.00 H new ATOM 0 HG13 ILE C 26 65.266 13.133 3.762 1.00 0.00 H new ATOM 0 HG21 ILE C 26 68.909 13.094 4.756 1.00 0.00 H new ATOM 0 HG22 ILE C 26 69.476 13.534 3.127 1.00 0.00 H new ATOM 0 HG23 ILE C 26 68.534 14.700 4.086 1.00 0.00 H new ATOM 0 HD11 ILE C 26 65.567 12.343 6.094 1.00 0.00 H new ATOM 0 HD12 ILE C 26 66.339 11.219 4.951 1.00 0.00 H new ATOM 0 HD13 ILE C 26 67.334 12.366 5.880 1.00 0.00 H new ATOM 418 N PHE C 27 68.578 12.903 0.366 1.00 0.00 N ATOM 419 CA PHE C 27 69.751 12.959 -0.569 1.00 0.00 C ATOM 420 C PHE C 27 69.281 13.177 -2.018 1.00 0.00 C ATOM 421 O PHE C 27 70.022 13.685 -2.837 1.00 0.00 O ATOM 422 CB PHE C 27 70.539 11.634 -0.433 1.00 0.00 C ATOM 423 CG PHE C 27 69.952 10.719 0.628 1.00 0.00 C ATOM 424 CD1 PHE C 27 70.162 10.997 1.986 1.00 0.00 C ATOM 425 CD2 PHE C 27 69.211 9.594 0.255 1.00 0.00 C ATOM 426 CE1 PHE C 27 69.632 10.149 2.966 1.00 0.00 C ATOM 427 CE2 PHE C 27 68.681 8.747 1.236 1.00 0.00 C ATOM 428 CZ PHE C 27 68.892 9.025 2.591 1.00 0.00 C ATOM 0 H PHE C 27 68.112 11.997 0.424 1.00 0.00 H new ATOM 0 HA PHE C 27 70.396 13.799 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE C 27 70.544 11.117 -1.393 1.00 0.00 H new ATOM 0 HB3 PHE C 27 71.577 11.855 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE C 27 70.733 11.866 2.277 1.00 0.00 H new ATOM 0 HD2 PHE C 27 69.047 9.378 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE C 27 69.795 10.364 4.012 1.00 0.00 H new ATOM 0 HE2 PHE C 27 68.109 7.878 0.946 1.00 0.00 H new ATOM 0 HZ PHE C 27 68.483 8.371 3.347 1.00 0.00 H new ATOM 438 N VAL C 28 68.054 12.828 -2.342 1.00 0.00 N ATOM 439 CA VAL C 28 67.557 13.056 -3.739 1.00 0.00 C ATOM 440 C VAL C 28 67.459 14.570 -4.016 1.00 0.00 C ATOM 441 O VAL C 28 67.568 15.008 -5.145 1.00 0.00 O ATOM 442 CB VAL C 28 66.170 12.398 -3.803 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.494 12.737 -5.136 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.312 10.877 -3.690 1.00 0.00 C ATOM 0 H VAL C 28 67.382 12.399 -1.705 1.00 0.00 H new ATOM 0 HA VAL C 28 68.227 12.633 -4.488 1.00 0.00 H new ATOM 0 HB VAL C 28 65.564 12.773 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL C 28 64.511 12.268 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL C 28 65.384 13.818 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL C 28 66.106 12.367 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.326 10.415 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL C 28 66.925 10.507 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.787 10.625 -2.742 1.00 0.00 H new ATOM 454 N GLN C 29 67.268 15.367 -2.987 1.00 0.00 N ATOM 455 CA GLN C 29 67.176 16.854 -3.178 1.00 0.00 C ATOM 456 C GLN C 29 68.426 17.385 -3.895 1.00 0.00 C ATOM 457 O GLN C 29 68.345 18.280 -4.717 1.00 0.00 O ATOM 458 CB GLN C 29 67.090 17.435 -1.762 1.00 0.00 C ATOM 459 CG GLN C 29 65.665 17.273 -1.224 1.00 0.00 C ATOM 460 CD GLN C 29 65.628 17.610 0.271 1.00 0.00 C ATOM 461 OE1 GLN C 29 66.052 16.825 1.095 1.00 0.00 O ATOM 462 NE2 GLN C 29 65.137 18.754 0.659 1.00 0.00 N ATOM 0 H GLN C 29 67.172 15.051 -2.022 1.00 0.00 H new ATOM 0 HA GLN C 29 66.318 17.132 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN C 29 67.797 16.927 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN C 29 67.367 18.489 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN C 29 64.985 17.927 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN C 29 65.321 16.251 -1.384 1.00 0.00 H new ATOM 0 HE21 GLN C 29 64.780 19.416 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN C 29 65.110 18.987 1.652 1.00 0.00 H new ATOM 471 N GLY C 30 69.576 16.834 -3.589 1.00 0.00 N ATOM 472 CA GLY C 30 70.838 17.289 -4.248 1.00 0.00 C ATOM 473 C GLY C 30 71.104 16.456 -5.512 1.00 0.00 C ATOM 474 O GLY C 30 71.796 16.898 -6.411 1.00 0.00 O ATOM 0 H GLY C 30 69.694 16.085 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.761 18.345 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY C 30 71.674 17.191 -3.556 1.00 0.00 H new ATOM 478 N ALA C 31 70.570 15.259 -5.597 1.00 0.00 N ATOM 479 CA ALA C 31 70.808 14.416 -6.816 1.00 0.00 C ATOM 480 C ALA C 31 69.783 14.752 -7.913 1.00 0.00 C ATOM 481 O ALA C 31 68.604 14.501 -7.763 1.00 0.00 O ATOM 482 CB ALA C 31 70.639 12.972 -6.338 1.00 0.00 C ATOM 0 H ALA C 31 69.983 14.831 -4.881 1.00 0.00 H new ATOM 0 HA ALA C 31 71.793 14.588 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.798 12.291 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA C 31 71.367 12.761 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.632 12.835 -5.944 1.00 0.00 H new ATOM 488 N GLU C 32 70.227 15.317 -9.015 1.00 0.00 N ATOM 489 CA GLU C 32 69.272 15.675 -10.122 1.00 0.00 C ATOM 490 C GLU C 32 68.527 14.430 -10.626 1.00 0.00 C ATOM 491 O GLU C 32 67.317 14.426 -10.739 1.00 0.00 O ATOM 492 CB GLU C 32 70.139 16.272 -11.239 1.00 0.00 C ATOM 493 CG GLU C 32 69.253 17.056 -12.218 1.00 0.00 C ATOM 494 CD GLU C 32 69.744 18.503 -12.312 1.00 0.00 C ATOM 495 OE1 GLU C 32 69.454 19.266 -11.407 1.00 0.00 O1- ATOM 496 OE2 GLU C 32 70.395 18.824 -13.291 1.00 0.00 O ATOM 0 H GLU C 32 71.204 15.545 -9.197 1.00 0.00 H new ATOM 0 HA GLU C 32 68.511 16.377 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU C 32 70.897 16.929 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.667 15.478 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.279 16.588 -13.202 1.00 0.00 H new ATOM 0 HG3 GLU C 32 68.216 17.035 -11.882 1.00 0.00 H new ATOM 503 N ASP C 33 69.248 13.378 -10.923 1.00 0.00 N ATOM 504 CA ASP C 33 68.599 12.122 -11.417 1.00 0.00 C ATOM 505 C ASP C 33 67.938 11.360 -10.255 1.00 0.00 C ATOM 506 O ASP C 33 67.006 10.603 -10.455 1.00 0.00 O ATOM 507 CB ASP C 33 69.743 11.300 -12.025 1.00 0.00 C ATOM 508 CG ASP C 33 69.995 11.758 -13.464 1.00 0.00 C ATOM 509 OD1 ASP C 33 70.595 12.806 -13.638 1.00 0.00 O ATOM 510 OD2 ASP C 33 69.581 11.053 -14.368 1.00 0.00 O1- ATOM 0 H ASP C 33 70.264 13.334 -10.844 1.00 0.00 H new ATOM 0 HA ASP C 33 67.810 12.324 -12.142 1.00 0.00 H new ATOM 0 HB2 ASP C 33 70.648 11.422 -11.430 1.00 0.00 H new ATOM 0 HB3 ASP C 33 69.491 10.240 -12.009 1.00 0.00 H new ATOM 515 N GLY C 34 68.413 11.554 -9.044 1.00 0.00 N ATOM 516 CA GLY C 34 67.814 10.840 -7.869 1.00 0.00 C ATOM 517 C GLY C 34 68.572 9.532 -7.617 1.00 0.00 C ATOM 518 O GLY C 34 67.990 8.525 -7.260 1.00 0.00 O ATOM 0 H GLY C 34 69.190 12.176 -8.820 1.00 0.00 H new ATOM 0 HA2 GLY C 34 67.860 11.474 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY C 34 66.761 10.631 -8.057 1.00 0.00 H new ATOM 522 N SER C 35 69.869 9.546 -7.796 1.00 0.00 N ATOM 523 CA SER C 35 70.681 8.318 -7.572 1.00 0.00 C ATOM 524 C SER C 35 71.819 8.613 -6.595 1.00 0.00 C ATOM 525 O SER C 35 72.387 9.689 -6.594 1.00 0.00 O ATOM 526 CB SER C 35 71.237 7.945 -8.949 1.00 0.00 C ATOM 527 OG SER C 35 71.893 9.073 -9.523 1.00 0.00 O ATOM 0 H SER C 35 70.402 10.364 -8.090 1.00 0.00 H new ATOM 0 HA SER C 35 70.092 7.508 -7.142 1.00 0.00 H new ATOM 0 HB2 SER C 35 71.936 7.114 -8.857 1.00 0.00 H new ATOM 0 HB3 SER C 35 70.429 7.612 -9.600 1.00 0.00 H new ATOM 0 HG SER C 35 72.249 8.831 -10.403 1.00 0.00 H new ATOM 533 N ILE C 36 72.151 7.666 -5.767 1.00 0.00 N ATOM 534 CA ILE C 36 73.252 7.877 -4.786 1.00 0.00 C ATOM 535 C ILE C 36 74.380 6.875 -5.053 1.00 0.00 C ATOM 536 O ILE C 36 74.139 5.751 -5.458 1.00 0.00 O ATOM 537 CB ILE C 36 72.615 7.621 -3.416 1.00 0.00 C ATOM 538 CG1 ILE C 36 71.447 8.591 -3.197 1.00 0.00 C ATOM 539 CG2 ILE C 36 73.662 7.834 -2.322 1.00 0.00 C ATOM 540 CD1 ILE C 36 70.383 7.931 -2.318 1.00 0.00 C ATOM 0 H ILE C 36 71.706 6.749 -5.726 1.00 0.00 H new ATOM 0 HA ILE C 36 73.686 8.875 -4.849 1.00 0.00 H new ATOM 0 HB ILE C 36 72.245 6.596 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE C 36 71.806 9.506 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE C 36 71.014 8.876 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE C 36 73.211 7.652 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE C 36 74.491 7.143 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE C 36 74.031 8.859 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE C 36 69.556 8.624 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE C 36 70.015 7.029 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE C 36 70.819 7.669 -1.354 1.00 0.00 H new ATOM 552 N SER C 37 75.606 7.267 -4.832 1.00 0.00 N ATOM 553 CA SER C 37 76.742 6.328 -5.077 1.00 0.00 C ATOM 554 C SER C 37 77.076 5.549 -3.797 1.00 0.00 C ATOM 555 O SER C 37 76.529 5.803 -2.739 1.00 0.00 O ATOM 556 CB SER C 37 77.916 7.213 -5.505 1.00 0.00 C ATOM 557 OG SER C 37 78.672 6.537 -6.505 1.00 0.00 O ATOM 0 H SER C 37 75.871 8.192 -4.494 1.00 0.00 H new ATOM 0 HA SER C 37 76.504 5.586 -5.839 1.00 0.00 H new ATOM 0 HB2 SER C 37 77.548 8.164 -5.891 1.00 0.00 H new ATOM 0 HB3 SER C 37 78.548 7.440 -4.646 1.00 0.00 H new ATOM 0 HG SER C 37 79.424 7.101 -6.783 1.00 0.00 H new ATOM 563 N THR C 38 77.967 4.597 -3.888 1.00 0.00 N ATOM 564 CA THR C 38 78.343 3.784 -2.681 1.00 0.00 C ATOM 565 C THR C 38 78.966 4.679 -1.603 1.00 0.00 C ATOM 566 O THR C 38 78.719 4.504 -0.423 1.00 0.00 O ATOM 567 CB THR C 38 79.357 2.750 -3.186 1.00 0.00 C ATOM 568 OG1 THR C 38 80.434 3.416 -3.835 1.00 0.00 O ATOM 569 CG2 THR C 38 78.665 1.805 -4.175 1.00 0.00 C ATOM 0 H THR C 38 78.455 4.343 -4.747 1.00 0.00 H new ATOM 0 HA THR C 38 77.476 3.306 -2.225 1.00 0.00 H new ATOM 0 HB THR C 38 79.745 2.177 -2.344 1.00 0.00 H new ATOM 0 HG1 THR C 38 81.174 2.787 -3.970 1.00 0.00 H new ATOM 0 HG21 THR C 38 79.382 1.068 -4.537 1.00 0.00 H new ATOM 0 HG22 THR C 38 77.841 1.295 -3.675 1.00 0.00 H new ATOM 0 HG23 THR C 38 78.279 2.379 -5.017 1.00 0.00 H new ATOM 577 N LYS C 39 79.758 5.638 -2.002 1.00 0.00 N ATOM 578 CA LYS C 39 80.394 6.564 -1.012 1.00 0.00 C ATOM 579 C LYS C 39 79.321 7.344 -0.234 1.00 0.00 C ATOM 580 O LYS C 39 79.502 7.673 0.923 1.00 0.00 O ATOM 581 CB LYS C 39 81.233 7.530 -1.857 1.00 0.00 C ATOM 582 CG LYS C 39 82.465 6.807 -2.421 1.00 0.00 C ATOM 583 CD LYS C 39 82.643 7.157 -3.905 1.00 0.00 C ATOM 584 CE LYS C 39 83.124 8.604 -4.042 1.00 0.00 C ATOM 585 NZ LYS C 39 81.963 9.352 -4.614 1.00 0.00 N1+ ATOM 0 H LYS C 39 79.995 5.823 -2.977 1.00 0.00 H new ATOM 0 HA LYS C 39 80.992 6.025 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS C 39 80.630 7.928 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.547 8.379 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS C 39 83.355 7.096 -1.861 1.00 0.00 H new ATOM 0 HG3 LYS C 39 82.350 5.729 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS C 39 83.363 6.480 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS C 39 81.699 7.026 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS C 39 83.419 9.014 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS C 39 83.994 8.669 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 82.296 10.244 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 81.507 8.775 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 81.277 9.557 -3.860 1.00 0.00 H new ATOM 599 N GLU C 40 78.212 7.648 -0.863 1.00 0.00 N ATOM 600 CA GLU C 40 77.134 8.417 -0.162 1.00 0.00 C ATOM 601 C GLU C 40 76.132 7.473 0.518 1.00 0.00 C ATOM 602 O GLU C 40 75.407 7.872 1.411 1.00 0.00 O ATOM 603 CB GLU C 40 76.440 9.219 -1.267 1.00 0.00 C ATOM 604 CG GLU C 40 77.394 10.288 -1.815 1.00 0.00 C ATOM 605 CD GLU C 40 77.844 9.904 -3.227 1.00 0.00 C ATOM 606 OE1 GLU C 40 77.030 9.986 -4.133 1.00 0.00 O1- ATOM 607 OE2 GLU C 40 78.999 9.539 -3.381 1.00 0.00 O ATOM 0 H GLU C 40 78.006 7.398 -1.830 1.00 0.00 H new ATOM 0 HA GLU C 40 77.541 9.053 0.624 1.00 0.00 H new ATOM 0 HB2 GLU C 40 76.127 8.552 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU C 40 75.539 9.690 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU C 40 76.897 11.258 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.260 10.386 -1.161 1.00 0.00 H new ATOM 614 N LEU C 41 76.071 6.231 0.099 1.00 0.00 N ATOM 615 CA LEU C 41 75.099 5.273 0.717 1.00 0.00 C ATOM 616 C LEU C 41 75.390 5.056 2.212 1.00 0.00 C ATOM 617 O LEU C 41 74.486 4.804 2.991 1.00 0.00 O ATOM 618 CB LEU C 41 75.269 3.963 -0.058 1.00 0.00 C ATOM 619 CG LEU C 41 73.893 3.351 -0.359 1.00 0.00 C ATOM 620 CD1 LEU C 41 73.117 3.133 0.943 1.00 0.00 C ATOM 621 CD2 LEU C 41 73.102 4.295 -1.269 1.00 0.00 C ATOM 0 H LEU C 41 76.651 5.840 -0.643 1.00 0.00 H new ATOM 0 HA LEU C 41 74.080 5.656 0.660 1.00 0.00 H new ATOM 0 HB2 LEU C 41 75.806 4.148 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU C 41 75.869 3.262 0.522 1.00 0.00 H new ATOM 0 HG LEU C 41 74.033 2.391 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU C 41 72.143 2.699 0.718 1.00 0.00 H new ATOM 0 HD12 LEU C 41 73.675 2.456 1.590 1.00 0.00 H new ATOM 0 HD13 LEU C 41 72.980 4.089 1.449 1.00 0.00 H new ATOM 0 HD21 LEU C 41 72.125 3.861 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU C 41 72.971 5.256 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU C 41 73.646 4.442 -2.202 1.00 0.00 H new ATOM 633 N GLY C 42 76.634 5.137 2.621 1.00 0.00 N ATOM 634 CA GLY C 42 76.971 4.921 4.066 1.00 0.00 C ATOM 635 C GLY C 42 76.149 5.864 4.951 1.00 0.00 C ATOM 636 O GLY C 42 75.594 5.452 5.951 1.00 0.00 O ATOM 0 H GLY C 42 77.430 5.343 2.018 1.00 0.00 H new ATOM 0 HA2 GLY C 42 76.771 3.886 4.342 1.00 0.00 H new ATOM 0 HA3 GLY C 42 78.035 5.094 4.228 1.00 0.00 H new ATOM 640 N LYS C 43 76.064 7.121 4.591 1.00 0.00 N ATOM 641 CA LYS C 43 75.267 8.084 5.415 1.00 0.00 C ATOM 642 C LYS C 43 73.775 7.725 5.335 1.00 0.00 C ATOM 643 O LYS C 43 73.066 7.786 6.320 1.00 0.00 O ATOM 644 CB LYS C 43 75.532 9.467 4.803 1.00 0.00 C ATOM 645 CG LYS C 43 74.832 10.548 5.639 1.00 0.00 C ATOM 646 CD LYS C 43 73.590 11.049 4.894 1.00 0.00 C ATOM 647 CE LYS C 43 73.404 12.552 5.142 1.00 0.00 C ATOM 648 NZ LYS C 43 72.183 12.926 4.368 1.00 0.00 N1+ ATOM 0 H LYS C 43 76.510 7.521 3.766 1.00 0.00 H new ATOM 0 HA LYS C 43 75.547 8.059 6.468 1.00 0.00 H new ATOM 0 HB2 LYS C 43 76.604 9.660 4.767 1.00 0.00 H new ATOM 0 HB3 LYS C 43 75.168 9.496 3.776 1.00 0.00 H new ATOM 0 HG2 LYS C 43 74.547 10.144 6.610 1.00 0.00 H new ATOM 0 HG3 LYS C 43 75.515 11.376 5.826 1.00 0.00 H new ATOM 0 HD2 LYS C 43 73.694 10.858 3.826 1.00 0.00 H new ATOM 0 HD3 LYS C 43 72.708 10.504 5.231 1.00 0.00 H new ATOM 0 HE2 LYS C 43 73.278 12.764 6.204 1.00 0.00 H new ATOM 0 HE3 LYS C 43 74.273 13.118 4.805 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 71.992 13.941 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 72.334 12.720 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 71.370 12.377 4.715 1.00 0.00 H new ATOM 662 N VAL C 44 73.302 7.340 4.167 1.00 0.00 N ATOM 663 CA VAL C 44 71.859 6.961 4.011 1.00 0.00 C ATOM 664 C VAL C 44 71.491 5.856 5.009 1.00 0.00 C ATOM 665 O VAL C 44 70.506 5.952 5.716 1.00 0.00 O ATOM 666 CB VAL C 44 71.729 6.444 2.567 1.00 0.00 C ATOM 667 CG1 VAL C 44 70.377 5.736 2.384 1.00 0.00 C ATOM 668 CG2 VAL C 44 71.827 7.623 1.593 1.00 0.00 C ATOM 0 H VAL C 44 73.857 7.273 3.314 1.00 0.00 H new ATOM 0 HA VAL C 44 71.192 7.802 4.203 1.00 0.00 H new ATOM 0 HB VAL C 44 72.533 5.736 2.365 1.00 0.00 H new ATOM 0 HG11 VAL C 44 70.292 5.373 1.360 1.00 0.00 H new ATOM 0 HG12 VAL C 44 70.310 4.895 3.074 1.00 0.00 H new ATOM 0 HG13 VAL C 44 69.568 6.438 2.588 1.00 0.00 H new ATOM 0 HG21 VAL C 44 71.735 7.258 0.570 1.00 0.00 H new ATOM 0 HG22 VAL C 44 71.025 8.332 1.799 1.00 0.00 H new ATOM 0 HG23 VAL C 44 72.790 8.118 1.717 1.00 0.00 H new ATOM 678 N MET C 45 72.277 4.810 5.063 1.00 0.00 N ATOM 679 CA MET C 45 71.974 3.690 6.009 1.00 0.00 C ATOM 680 C MET C 45 72.112 4.153 7.467 1.00 0.00 C ATOM 681 O MET C 45 71.208 3.980 8.258 1.00 0.00 O ATOM 682 CB MET C 45 73.003 2.596 5.706 1.00 0.00 C ATOM 683 CG MET C 45 72.908 2.174 4.237 1.00 0.00 C ATOM 684 SD MET C 45 72.439 0.432 4.139 1.00 0.00 S ATOM 685 CE MET C 45 70.669 0.701 4.364 1.00 0.00 C ATOM 0 H MET C 45 73.114 4.682 4.494 1.00 0.00 H new ATOM 0 HA MET C 45 70.952 3.334 5.882 1.00 0.00 H new ATOM 0 HB2 MET C 45 74.007 2.961 5.923 1.00 0.00 H new ATOM 0 HB3 MET C 45 72.830 1.735 6.351 1.00 0.00 H new ATOM 0 HG2 MET C 45 72.173 2.789 3.718 1.00 0.00 H new ATOM 0 HG3 MET C 45 73.865 2.332 3.740 1.00 0.00 H new ATOM 0 HE1 MET C 45 70.307 0.076 5.180 1.00 0.00 H new ATOM 0 HE2 MET C 45 70.488 1.749 4.602 1.00 0.00 H new ATOM 0 HE3 MET C 45 70.142 0.441 3.446 1.00 0.00 H new ATOM 695 N ARG C 46 73.237 4.725 7.828 1.00 0.00 N ATOM 696 CA ARG C 46 73.435 5.183 9.246 1.00 0.00 C ATOM 697 C ARG C 46 72.350 6.193 9.648 1.00 0.00 C ATOM 698 O ARG C 46 71.836 6.154 10.748 1.00 0.00 O ATOM 699 CB ARG C 46 74.822 5.842 9.269 1.00 0.00 C ATOM 700 CG ARG C 46 75.537 5.509 10.583 1.00 0.00 C ATOM 701 CD ARG C 46 77.032 5.299 10.315 1.00 0.00 C ATOM 702 NE ARG C 46 77.339 3.936 10.842 1.00 0.00 N ATOM 703 CZ ARG C 46 77.648 2.982 10.014 1.00 0.00 C ATOM 704 NH1 ARG C 46 78.852 2.908 9.529 1.00 0.00 N ATOM 705 NH2 ARG C 46 76.753 2.096 9.683 1.00 0.00 N1+ ATOM 0 H ARG C 46 74.027 4.895 7.205 1.00 0.00 H new ATOM 0 HA ARG C 46 73.366 4.355 9.952 1.00 0.00 H new ATOM 0 HB2 ARG C 46 75.414 5.492 8.424 1.00 0.00 H new ATOM 0 HB3 ARG C 46 74.723 6.922 9.163 1.00 0.00 H new ATOM 0 HG2 ARG C 46 75.396 6.317 11.301 1.00 0.00 H new ATOM 0 HG3 ARG C 46 75.107 4.611 11.026 1.00 0.00 H new ATOM 0 HD2 ARG C 46 77.254 5.368 9.250 1.00 0.00 H new ATOM 0 HD3 ARG C 46 77.632 6.059 10.816 1.00 0.00 H new ATOM 0 HE ARG C 46 77.307 3.754 11.845 1.00 0.00 H new ATOM 0 HH11 ARG C 46 79.553 3.598 9.798 1.00 0.00 H new ATOM 0 HH12 ARG C 46 79.095 2.160 8.880 1.00 0.00 H new ATOM 0 HH21 ARG C 46 75.812 2.151 10.073 1.00 0.00 H new ATOM 0 HH22 ARG C 46 76.993 1.347 9.034 1.00 0.00 H new ATOM 719 N MET C 47 72.002 7.090 8.762 1.00 0.00 N ATOM 720 CA MET C 47 70.951 8.112 9.081 1.00 0.00 C ATOM 721 C MET C 47 69.568 7.455 9.244 1.00 0.00 C ATOM 722 O MET C 47 68.767 7.889 10.051 1.00 0.00 O ATOM 723 CB MET C 47 70.971 9.068 7.882 1.00 0.00 C ATOM 724 CG MET C 47 70.043 10.258 8.135 1.00 0.00 C ATOM 725 SD MET C 47 69.236 10.726 6.584 1.00 0.00 S ATOM 726 CE MET C 47 68.012 9.395 6.554 1.00 0.00 C ATOM 0 H MET C 47 72.401 7.162 7.826 1.00 0.00 H new ATOM 0 HA MET C 47 71.147 8.625 10.022 1.00 0.00 H new ATOM 0 HB2 MET C 47 71.987 9.422 7.707 1.00 0.00 H new ATOM 0 HB3 MET C 47 70.658 8.539 6.982 1.00 0.00 H new ATOM 0 HG2 MET C 47 69.295 9.998 8.884 1.00 0.00 H new ATOM 0 HG3 MET C 47 70.611 11.100 8.531 1.00 0.00 H new ATOM 0 HE1 MET C 47 67.562 9.336 5.563 1.00 0.00 H new ATOM 0 HE2 MET C 47 68.498 8.448 6.788 1.00 0.00 H new ATOM 0 HE3 MET C 47 67.237 9.597 7.293 1.00 0.00 H new ATOM 736 N LEU C 48 69.285 6.416 8.497 1.00 0.00 N ATOM 737 CA LEU C 48 67.959 5.726 8.618 1.00 0.00 C ATOM 738 C LEU C 48 67.942 4.782 9.831 1.00 0.00 C ATOM 739 O LEU C 48 66.893 4.451 10.352 1.00 0.00 O ATOM 740 CB LEU C 48 67.808 4.923 7.322 1.00 0.00 C ATOM 741 CG LEU C 48 66.836 5.645 6.385 1.00 0.00 C ATOM 742 CD1 LEU C 48 67.342 5.559 4.945 1.00 0.00 C ATOM 743 CD2 LEU C 48 65.460 4.987 6.468 1.00 0.00 C ATOM 0 H LEU C 48 69.917 6.013 7.805 1.00 0.00 H new ATOM 0 HA LEU C 48 67.146 6.438 8.762 1.00 0.00 H new ATOM 0 HB2 LEU C 48 68.778 4.807 6.838 1.00 0.00 H new ATOM 0 HB3 LEU C 48 67.440 3.921 7.543 1.00 0.00 H new ATOM 0 HG LEU C 48 66.765 6.690 6.686 1.00 0.00 H new ATOM 0 HD11 LEU C 48 66.646 6.075 4.283 1.00 0.00 H new ATOM 0 HD12 LEU C 48 68.324 6.028 4.876 1.00 0.00 H new ATOM 0 HD13 LEU C 48 67.418 4.513 4.648 1.00 0.00 H new ATOM 0 HD21 LEU C 48 64.769 5.502 5.800 1.00 0.00 H new ATOM 0 HD22 LEU C 48 65.538 3.941 6.172 1.00 0.00 H new ATOM 0 HD23 LEU C 48 65.089 5.048 7.491 1.00 0.00 H new ATOM 755 N GLY C 49 69.096 4.345 10.284 1.00 0.00 N ATOM 756 CA GLY C 49 69.150 3.423 11.462 1.00 0.00 C ATOM 757 C GLY C 49 69.765 2.076 11.052 1.00 0.00 C ATOM 758 O GLY C 49 69.306 1.031 11.470 1.00 0.00 O ATOM 0 H GLY C 49 70.003 4.589 9.886 1.00 0.00 H new ATOM 0 HA2 GLY C 49 69.741 3.874 12.259 1.00 0.00 H new ATOM 0 HA3 GLY C 49 68.146 3.268 11.858 1.00 0.00 H new ATOM 762 N GLN C 50 70.798 2.090 10.245 1.00 0.00 N ATOM 763 CA GLN C 50 71.441 0.807 9.818 1.00 0.00 C ATOM 764 C GLN C 50 72.886 0.756 10.325 1.00 0.00 C ATOM 765 O GLN C 50 73.472 1.771 10.653 1.00 0.00 O ATOM 766 CB GLN C 50 71.430 0.826 8.281 1.00 0.00 C ATOM 767 CG GLN C 50 70.042 1.207 7.751 1.00 0.00 C ATOM 768 CD GLN C 50 69.101 0.009 7.860 1.00 0.00 C ATOM 769 OE1 GLN C 50 69.285 -0.988 7.191 1.00 0.00 O ATOM 770 NE2 GLN C 50 68.098 0.060 8.688 1.00 0.00 N ATOM 0 H GLN C 50 71.224 2.934 9.863 1.00 0.00 H new ATOM 0 HA GLN C 50 70.915 -0.061 10.216 1.00 0.00 H new ATOM 0 HB2 GLN C 50 72.171 1.537 7.916 1.00 0.00 H new ATOM 0 HB3 GLN C 50 71.714 -0.155 7.899 1.00 0.00 H new ATOM 0 HG2 GLN C 50 69.643 2.047 8.319 1.00 0.00 H new ATOM 0 HG3 GLN C 50 70.115 1.531 6.713 1.00 0.00 H new ATOM 0 HE21 GLN C 50 67.943 0.897 9.250 1.00 0.00 H new ATOM 0 HE22 GLN C 50 67.467 -0.737 8.775 1.00 0.00 H new ATOM 779 N ASN C 51 73.473 -0.416 10.378 1.00 0.00 N ATOM 780 CA ASN C 51 74.887 -0.524 10.853 1.00 0.00 C ATOM 781 C ASN C 51 75.781 -1.227 9.804 1.00 0.00 C ATOM 782 O ASN C 51 76.549 -2.106 10.147 1.00 0.00 O ATOM 783 CB ASN C 51 74.804 -1.358 12.134 1.00 0.00 C ATOM 784 CG ASN C 51 74.286 -0.489 13.283 1.00 0.00 C ATOM 785 OD1 ASN C 51 74.997 0.354 13.791 1.00 0.00 O ATOM 786 ND2 ASN C 51 73.069 -0.661 13.719 1.00 0.00 N ATOM 0 H ASN C 51 73.035 -1.299 10.114 1.00 0.00 H new ATOM 0 HA ASN C 51 75.333 0.456 11.021 1.00 0.00 H new ATOM 0 HB2 ASN C 51 74.141 -2.210 11.982 1.00 0.00 H new ATOM 0 HB3 ASN C 51 75.787 -1.759 12.383 1.00 0.00 H new ATOM 0 HD21 ASN C 51 72.716 -0.088 14.485 1.00 0.00 H new ATOM 0 HD22 ASN C 51 72.470 -1.369 13.294 1.00 0.00 H new ATOM 793 N PRO C 52 75.662 -0.813 8.556 1.00 0.00 N ATOM 794 CA PRO C 52 76.490 -1.413 7.472 1.00 0.00 C ATOM 795 C PRO C 52 77.942 -0.921 7.563 1.00 0.00 C ATOM 796 O PRO C 52 78.195 0.244 7.812 1.00 0.00 O ATOM 797 CB PRO C 52 75.845 -0.882 6.196 1.00 0.00 C ATOM 798 CG PRO C 52 75.204 0.402 6.607 1.00 0.00 C ATOM 799 CD PRO C 52 74.763 0.228 8.031 1.00 0.00 C ATOM 0 HA PRO C 52 76.524 -2.501 7.523 1.00 0.00 H new ATOM 0 HB2 PRO C 52 76.587 -0.723 5.413 1.00 0.00 H new ATOM 0 HB3 PRO C 52 75.110 -1.584 5.801 1.00 0.00 H new ATOM 0 HG2 PRO C 52 75.906 1.231 6.518 1.00 0.00 H new ATOM 0 HG3 PRO C 52 74.355 0.633 5.964 1.00 0.00 H new ATOM 0 HD2 PRO C 52 74.855 1.157 8.594 1.00 0.00 H new ATOM 0 HD3 PRO C 52 73.719 -0.079 8.091 1.00 0.00 H new ATOM 807 N THR C 53 78.890 -1.793 7.344 1.00 0.00 N ATOM 808 CA THR C 53 80.328 -1.378 7.395 1.00 0.00 C ATOM 809 C THR C 53 80.674 -0.566 6.136 1.00 0.00 C ATOM 810 O THR C 53 80.124 -0.807 5.081 1.00 0.00 O ATOM 811 CB THR C 53 81.141 -2.687 7.431 1.00 0.00 C ATOM 812 OG1 THR C 53 80.296 -3.797 7.141 1.00 0.00 O ATOM 813 CG2 THR C 53 81.762 -2.878 8.818 1.00 0.00 C ATOM 0 H THR C 53 78.733 -2.778 7.131 1.00 0.00 H new ATOM 0 HA THR C 53 80.545 -0.753 8.261 1.00 0.00 H new ATOM 0 HB THR C 53 81.930 -2.627 6.682 1.00 0.00 H new ATOM 0 HG1 THR C 53 80.632 -4.593 7.602 1.00 0.00 H new ATOM 0 HG21 THR C 53 82.335 -3.805 8.836 1.00 0.00 H new ATOM 0 HG22 THR C 53 82.422 -2.039 9.040 1.00 0.00 H new ATOM 0 HG23 THR C 53 80.972 -2.926 9.567 1.00 0.00 H new ATOM 821 N PRO C 54 81.580 0.372 6.290 1.00 0.00 N ATOM 822 CA PRO C 54 81.999 1.239 5.149 1.00 0.00 C ATOM 823 C PRO C 54 82.748 0.440 4.070 1.00 0.00 C ATOM 824 O PRO C 54 82.445 0.553 2.896 1.00 0.00 O ATOM 825 CB PRO C 54 82.912 2.275 5.805 1.00 0.00 C ATOM 826 CG PRO C 54 83.404 1.614 7.055 1.00 0.00 C ATOM 827 CD PRO C 54 82.289 0.719 7.528 1.00 0.00 C ATOM 0 HA PRO C 54 81.151 1.685 4.630 1.00 0.00 H new ATOM 0 HB2 PRO C 54 83.739 2.545 5.149 1.00 0.00 H new ATOM 0 HB3 PRO C 54 82.370 3.194 6.030 1.00 0.00 H new ATOM 0 HG2 PRO C 54 84.309 1.038 6.860 1.00 0.00 H new ATOM 0 HG3 PRO C 54 83.656 2.355 7.813 1.00 0.00 H new ATOM 0 HD2 PRO C 54 82.673 -0.168 8.033 1.00 0.00 H new ATOM 0 HD3 PRO C 54 81.636 1.231 8.235 1.00 0.00 H new ATOM 835 N GLU C 55 83.715 -0.360 4.445 1.00 0.00 N ATOM 836 CA GLU C 55 84.466 -1.151 3.414 1.00 0.00 C ATOM 837 C GLU C 55 83.590 -2.281 2.854 1.00 0.00 C ATOM 838 O GLU C 55 83.751 -2.690 1.720 1.00 0.00 O ATOM 839 CB GLU C 55 85.721 -1.698 4.122 1.00 0.00 C ATOM 840 CG GLU C 55 85.357 -2.821 5.106 1.00 0.00 C ATOM 841 CD GLU C 55 85.209 -2.248 6.516 1.00 0.00 C ATOM 842 OE1 GLU C 55 86.207 -2.179 7.215 1.00 0.00 O ATOM 843 OE2 GLU C 55 84.102 -1.891 6.875 1.00 0.00 O1- ATOM 0 H GLU C 55 84.017 -0.501 5.409 1.00 0.00 H new ATOM 0 HA GLU C 55 84.746 -0.535 2.560 1.00 0.00 H new ATOM 0 HB2 GLU C 55 86.425 -2.075 3.380 1.00 0.00 H new ATOM 0 HB3 GLU C 55 86.222 -0.891 4.656 1.00 0.00 H new ATOM 0 HG2 GLU C 55 84.427 -3.299 4.798 1.00 0.00 H new ATOM 0 HG3 GLU C 55 86.129 -3.590 5.096 1.00 0.00 H new ATOM 850 N GLU C 56 82.653 -2.773 3.627 1.00 0.00 N ATOM 851 CA GLU C 56 81.755 -3.857 3.121 1.00 0.00 C ATOM 852 C GLU C 56 80.534 -3.248 2.408 1.00 0.00 C ATOM 853 O GLU C 56 79.803 -3.937 1.727 1.00 0.00 O ATOM 854 CB GLU C 56 81.323 -4.639 4.363 1.00 0.00 C ATOM 855 CG GLU C 56 82.325 -5.767 4.628 1.00 0.00 C ATOM 856 CD GLU C 56 82.343 -6.112 6.119 1.00 0.00 C ATOM 857 OE1 GLU C 56 83.066 -5.454 6.849 1.00 0.00 O ATOM 858 OE2 GLU C 56 81.638 -7.028 6.506 1.00 0.00 O1- ATOM 0 H GLU C 56 82.472 -2.472 4.584 1.00 0.00 H new ATOM 0 HA GLU C 56 82.256 -4.499 2.397 1.00 0.00 H new ATOM 0 HB2 GLU C 56 81.271 -3.974 5.225 1.00 0.00 H new ATOM 0 HB3 GLU C 56 80.325 -5.051 4.218 1.00 0.00 H new ATOM 0 HG2 GLU C 56 82.055 -6.648 4.046 1.00 0.00 H new ATOM 0 HG3 GLU C 56 83.321 -5.463 4.305 1.00 0.00 H new ATOM 865 N LEU C 57 80.316 -1.959 2.553 1.00 0.00 N ATOM 866 CA LEU C 57 79.151 -1.309 1.876 1.00 0.00 C ATOM 867 C LEU C 57 79.272 -1.446 0.352 1.00 0.00 C ATOM 868 O LEU C 57 78.281 -1.562 -0.343 1.00 0.00 O ATOM 869 CB LEU C 57 79.216 0.165 2.289 1.00 0.00 C ATOM 870 CG LEU C 57 77.901 0.871 1.940 1.00 0.00 C ATOM 871 CD1 LEU C 57 76.793 0.403 2.889 1.00 0.00 C ATOM 872 CD2 LEU C 57 78.095 2.383 2.084 1.00 0.00 C ATOM 0 H LEU C 57 80.896 -1.332 3.111 1.00 0.00 H new ATOM 0 HA LEU C 57 78.205 -1.770 2.161 1.00 0.00 H new ATOM 0 HB2 LEU C 57 79.406 0.242 3.360 1.00 0.00 H new ATOM 0 HB3 LEU C 57 80.047 0.656 1.782 1.00 0.00 H new ATOM 0 HG LEU C 57 77.617 0.630 0.916 1.00 0.00 H new ATOM 0 HD11 LEU C 57 75.861 0.908 2.637 1.00 0.00 H new ATOM 0 HD12 LEU C 57 76.661 -0.674 2.790 1.00 0.00 H new ATOM 0 HD13 LEU C 57 77.069 0.642 3.916 1.00 0.00 H new ATOM 0 HD21 LEU C 57 77.164 2.894 1.838 1.00 0.00 H new ATOM 0 HD22 LEU C 57 78.377 2.617 3.110 1.00 0.00 H new ATOM 0 HD23 LEU C 57 78.882 2.715 1.407 1.00 0.00 H new ATOM 884 N GLN C 58 80.477 -1.437 -0.173 1.00 0.00 N ATOM 885 CA GLN C 58 80.652 -1.571 -1.652 1.00 0.00 C ATOM 886 C GLN C 58 80.016 -2.880 -2.147 1.00 0.00 C ATOM 887 O GLN C 58 79.152 -2.868 -3.003 1.00 0.00 O ATOM 888 CB GLN C 58 82.166 -1.579 -1.875 1.00 0.00 C ATOM 889 CG GLN C 58 82.464 -1.693 -3.374 1.00 0.00 C ATOM 890 CD GLN C 58 81.883 -0.482 -4.115 1.00 0.00 C ATOM 891 OE1 GLN C 58 82.203 0.650 -3.803 1.00 0.00 O ATOM 892 NE2 GLN C 58 81.033 -0.668 -5.091 1.00 0.00 N ATOM 0 H GLN C 58 81.342 -1.343 0.359 1.00 0.00 H new ATOM 0 HA GLN C 58 80.169 -0.763 -2.201 1.00 0.00 H new ATOM 0 HB2 GLN C 58 82.608 -0.666 -1.474 1.00 0.00 H new ATOM 0 HB3 GLN C 58 82.618 -2.414 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN C 58 83.540 -1.748 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN C 58 82.035 -2.613 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN C 58 80.761 -1.614 -5.357 1.00 0.00 H new ATOM 0 HE22 GLN C 58 80.642 0.133 -5.586 1.00 0.00 H new ATOM 901 N GLU C 59 80.428 -4.003 -1.607 1.00 0.00 N ATOM 902 CA GLU C 59 79.838 -5.311 -2.042 1.00 0.00 C ATOM 903 C GLU C 59 78.367 -5.411 -1.600 1.00 0.00 C ATOM 904 O GLU C 59 77.569 -6.091 -2.220 1.00 0.00 O ATOM 905 CB GLU C 59 80.702 -6.397 -1.372 1.00 0.00 C ATOM 906 CG GLU C 59 80.486 -6.409 0.151 1.00 0.00 C ATOM 907 CD GLU C 59 79.878 -7.749 0.573 1.00 0.00 C ATOM 908 OE1 GLU C 59 78.696 -7.941 0.341 1.00 0.00 O1- ATOM 909 OE2 GLU C 59 80.603 -8.561 1.126 1.00 0.00 O ATOM 0 H GLU C 59 81.146 -4.071 -0.885 1.00 0.00 H new ATOM 0 HA GLU C 59 79.840 -5.421 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU C 59 80.451 -7.374 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU C 59 81.754 -6.218 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU C 59 81.435 -6.251 0.664 1.00 0.00 H new ATOM 0 HG3 GLU C 59 79.826 -5.591 0.441 1.00 0.00 H new ATOM 916 N MET C 60 78.005 -4.724 -0.545 1.00 0.00 N ATOM 917 CA MET C 60 76.590 -4.756 -0.063 1.00 0.00 C ATOM 918 C MET C 60 75.662 -4.105 -1.097 1.00 0.00 C ATOM 919 O MET C 60 74.624 -4.643 -1.438 1.00 0.00 O ATOM 920 CB MET C 60 76.609 -3.945 1.228 1.00 0.00 C ATOM 921 CG MET C 60 76.694 -4.903 2.417 1.00 0.00 C ATOM 922 SD MET C 60 76.019 -4.101 3.891 1.00 0.00 S ATOM 923 CE MET C 60 74.412 -3.668 3.183 1.00 0.00 C ATOM 0 H MET C 60 78.633 -4.139 0.006 1.00 0.00 H new ATOM 0 HA MET C 60 76.223 -5.770 0.092 1.00 0.00 H new ATOM 0 HB2 MET C 60 77.460 -3.264 1.232 1.00 0.00 H new ATOM 0 HB3 MET C 60 75.710 -3.333 1.301 1.00 0.00 H new ATOM 0 HG2 MET C 60 76.140 -5.816 2.201 1.00 0.00 H new ATOM 0 HG3 MET C 60 77.730 -5.193 2.590 1.00 0.00 H new ATOM 0 HE1 MET C 60 73.655 -3.677 3.967 1.00 0.00 H new ATOM 0 HE2 MET C 60 74.465 -2.673 2.741 1.00 0.00 H new ATOM 0 HE3 MET C 60 74.146 -4.393 2.414 1.00 0.00 H new ATOM 933 N ILE C 61 76.039 -2.958 -1.603 1.00 0.00 N ATOM 934 CA ILE C 61 75.194 -2.266 -2.627 1.00 0.00 C ATOM 935 C ILE C 61 75.215 -3.070 -3.940 1.00 0.00 C ATOM 936 O ILE C 61 74.211 -3.200 -4.613 1.00 0.00 O ATOM 937 CB ILE C 61 75.842 -0.881 -2.795 1.00 0.00 C ATOM 938 CG1 ILE C 61 75.329 0.051 -1.687 1.00 0.00 C ATOM 939 CG2 ILE C 61 75.490 -0.297 -4.165 1.00 0.00 C ATOM 940 CD1 ILE C 61 76.122 1.362 -1.692 1.00 0.00 C ATOM 0 H ILE C 61 76.898 -2.469 -1.351 1.00 0.00 H new ATOM 0 HA ILE C 61 74.147 -2.178 -2.336 1.00 0.00 H new ATOM 0 HB ILE C 61 76.925 -0.978 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE C 61 74.269 0.258 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE C 61 75.425 -0.437 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE C 61 75.954 0.683 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE C 61 75.857 -0.960 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE C 61 74.408 -0.198 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE C 61 75.750 2.015 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE C 61 77.177 1.150 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE C 61 76.004 1.855 -2.657 1.00 0.00 H new ATOM 952 N ASP C 62 76.353 -3.624 -4.293 1.00 0.00 N ATOM 953 CA ASP C 62 76.446 -4.436 -5.552 1.00 0.00 C ATOM 954 C ASP C 62 75.482 -5.632 -5.496 1.00 0.00 C ATOM 955 O ASP C 62 74.977 -6.080 -6.506 1.00 0.00 O ATOM 956 CB ASP C 62 77.901 -4.920 -5.614 1.00 0.00 C ATOM 957 CG ASP C 62 78.722 -3.959 -6.474 1.00 0.00 C ATOM 958 OD1 ASP C 62 78.605 -4.033 -7.686 1.00 0.00 O ATOM 959 OD2 ASP C 62 79.451 -3.163 -5.907 1.00 0.00 O1- ATOM 0 H ASP C 62 77.222 -3.549 -3.764 1.00 0.00 H new ATOM 0 HA ASP C 62 76.173 -3.854 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP C 62 78.320 -4.975 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP C 62 77.943 -5.926 -6.032 1.00 0.00 H new ATOM 964 N GLU C 63 75.220 -6.145 -4.321 1.00 0.00 N ATOM 965 CA GLU C 63 74.284 -7.303 -4.190 1.00 0.00 C ATOM 966 C GLU C 63 72.850 -6.881 -4.539 1.00 0.00 C ATOM 967 O GLU C 63 72.120 -7.616 -5.179 1.00 0.00 O ATOM 968 CB GLU C 63 74.376 -7.709 -2.720 1.00 0.00 C ATOM 969 CG GLU C 63 73.974 -9.179 -2.571 1.00 0.00 C ATOM 970 CD GLU C 63 75.232 -10.039 -2.442 1.00 0.00 C ATOM 971 OE1 GLU C 63 75.808 -10.370 -3.464 1.00 0.00 O1- ATOM 972 OE2 GLU C 63 75.597 -10.355 -1.323 1.00 0.00 O ATOM 0 H GLU C 63 75.616 -5.810 -3.443 1.00 0.00 H new ATOM 0 HA GLU C 63 74.542 -8.120 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU C 63 75.391 -7.560 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU C 63 73.723 -7.079 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU C 63 73.341 -9.307 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU C 63 73.390 -9.497 -3.434 1.00 0.00 H new ATOM 979 N VAL C 64 72.444 -5.703 -4.130 1.00 0.00 N ATOM 980 CA VAL C 64 71.056 -5.237 -4.447 1.00 0.00 C ATOM 981 C VAL C 64 71.013 -4.573 -5.831 1.00 0.00 C ATOM 982 O VAL C 64 69.956 -4.397 -6.406 1.00 0.00 O ATOM 983 CB VAL C 64 70.676 -4.235 -3.345 1.00 0.00 C ATOM 984 CG1 VAL C 64 70.763 -4.913 -1.977 1.00 0.00 C ATOM 985 CG2 VAL C 64 71.619 -3.028 -3.369 1.00 0.00 C ATOM 0 H VAL C 64 73.010 -5.046 -3.593 1.00 0.00 H new ATOM 0 HA VAL C 64 70.354 -6.070 -4.476 1.00 0.00 H new ATOM 0 HB VAL C 64 69.656 -3.894 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL C 64 70.493 -4.199 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL C 64 70.077 -5.760 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL C 64 71.781 -5.264 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL C 64 71.335 -2.329 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL C 64 72.643 -3.363 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL C 64 71.550 -2.532 -4.337 1.00 0.00 H new ATOM 995 N ASP C 65 72.151 -4.209 -6.374 1.00 0.00 N ATOM 996 CA ASP C 65 72.172 -3.566 -7.722 1.00 0.00 C ATOM 997 C ASP C 65 71.881 -4.618 -8.810 1.00 0.00 C ATOM 998 O ASP C 65 72.758 -5.345 -9.235 1.00 0.00 O ATOM 999 CB ASP C 65 73.591 -2.997 -7.864 1.00 0.00 C ATOM 1000 CG ASP C 65 73.545 -1.681 -8.639 1.00 0.00 C ATOM 1001 OD1 ASP C 65 73.506 -1.733 -9.855 1.00 0.00 O1- ATOM 1002 OD2 ASP C 65 73.547 -0.641 -8.005 1.00 0.00 O ATOM 0 H ASP C 65 73.066 -4.331 -5.939 1.00 0.00 H new ATOM 0 HA ASP C 65 71.416 -2.788 -7.831 1.00 0.00 H new ATOM 0 HB2 ASP C 65 74.028 -2.834 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP C 65 74.230 -3.713 -8.382 1.00 0.00 H new ATOM 1007 N GLU C 66 70.647 -4.714 -9.251 1.00 0.00 N ATOM 1008 CA GLU C 66 70.297 -5.732 -10.294 1.00 0.00 C ATOM 1009 C GLU C 66 70.568 -5.195 -11.708 1.00 0.00 C ATOM 1010 O GLU C 66 70.942 -5.939 -12.593 1.00 0.00 O ATOM 1011 CB GLU C 66 68.806 -6.020 -10.089 1.00 0.00 C ATOM 1012 CG GLU C 66 68.646 -7.036 -8.951 1.00 0.00 C ATOM 1013 CD GLU C 66 67.164 -7.351 -8.734 1.00 0.00 C ATOM 1014 OE1 GLU C 66 66.575 -7.974 -9.601 1.00 0.00 O ATOM 1015 OE2 GLU C 66 66.645 -6.975 -7.697 1.00 0.00 O1- ATOM 0 H GLU C 66 69.870 -4.133 -8.935 1.00 0.00 H new ATOM 0 HA GLU C 66 70.901 -6.634 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU C 66 68.274 -5.099 -9.849 1.00 0.00 H new ATOM 0 HB3 GLU C 66 68.368 -6.411 -11.007 1.00 0.00 H new ATOM 0 HG2 GLU C 66 69.189 -7.950 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU C 66 69.080 -6.638 -8.034 1.00 0.00 H new ATOM 1022 N ASP C 67 70.393 -3.918 -11.932 1.00 0.00 N ATOM 1023 CA ASP C 67 70.657 -3.370 -13.302 1.00 0.00 C ATOM 1024 C ASP C 67 72.168 -3.347 -13.603 1.00 0.00 C ATOM 1025 O ASP C 67 72.572 -3.324 -14.750 1.00 0.00 O ATOM 1026 CB ASP C 67 70.061 -1.956 -13.318 1.00 0.00 C ATOM 1027 CG ASP C 67 70.587 -1.122 -12.146 1.00 0.00 C ATOM 1028 OD1 ASP C 67 71.765 -0.822 -12.133 1.00 0.00 O1- ATOM 1029 OD2 ASP C 67 69.796 -0.787 -11.287 1.00 0.00 O ATOM 0 H ASP C 67 70.083 -3.237 -11.239 1.00 0.00 H new ATOM 0 HA ASP C 67 70.204 -3.992 -14.074 1.00 0.00 H new ATOM 0 HB2 ASP C 67 70.309 -1.464 -14.259 1.00 0.00 H new ATOM 0 HB3 ASP C 67 68.974 -2.016 -13.267 1.00 0.00 H new ATOM 1034 N GLY C 68 73.001 -3.367 -12.589 1.00 0.00 N ATOM 1035 CA GLY C 68 74.477 -3.364 -12.821 1.00 0.00 C ATOM 1036 C GLY C 68 74.969 -1.946 -13.138 1.00 0.00 C ATOM 1037 O GLY C 68 75.677 -1.738 -14.106 1.00 0.00 O ATOM 0 H GLY C 68 72.719 -3.385 -11.609 1.00 0.00 H new ATOM 0 HA2 GLY C 68 74.990 -3.744 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.723 -4.033 -13.646 1.00 0.00 H new ATOM 1041 N SER C 69 74.616 -0.973 -12.337 1.00 0.00 N ATOM 1042 CA SER C 69 75.086 0.424 -12.609 1.00 0.00 C ATOM 1043 C SER C 69 76.116 0.865 -11.556 1.00 0.00 C ATOM 1044 O SER C 69 76.994 1.660 -11.841 1.00 0.00 O ATOM 1045 CB SER C 69 73.831 1.304 -12.565 1.00 0.00 C ATOM 1046 OG SER C 69 73.517 1.641 -11.216 1.00 0.00 O ATOM 0 H SER C 69 74.027 -1.081 -11.511 1.00 0.00 H new ATOM 0 HA SER C 69 75.585 0.501 -13.575 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.993 2.212 -13.147 1.00 0.00 H new ATOM 0 HB3 SER C 69 72.992 0.778 -13.022 1.00 0.00 H new ATOM 0 HG SER C 69 73.590 2.611 -11.096 1.00 0.00 H new ATOM 1052 N GLY C 70 76.022 0.362 -10.348 1.00 0.00 N ATOM 1053 CA GLY C 70 77.004 0.764 -9.292 1.00 0.00 C ATOM 1054 C GLY C 70 76.382 1.810 -8.358 1.00 0.00 C ATOM 1055 O GLY C 70 76.863 2.028 -7.262 1.00 0.00 O ATOM 0 H GLY C 70 75.312 -0.306 -10.049 1.00 0.00 H new ATOM 0 HA2 GLY C 70 77.309 -0.111 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY C 70 77.903 1.170 -9.757 1.00 0.00 H new ATOM 1059 N THR C 71 75.322 2.460 -8.780 1.00 0.00 N ATOM 1060 CA THR C 71 74.668 3.493 -7.916 1.00 0.00 C ATOM 1061 C THR C 71 73.336 2.958 -7.375 1.00 0.00 C ATOM 1062 O THR C 71 72.647 2.199 -8.031 1.00 0.00 O ATOM 1063 CB THR C 71 74.427 4.706 -8.826 1.00 0.00 C ATOM 1064 OG1 THR C 71 73.689 4.299 -9.973 1.00 0.00 O ATOM 1065 CG2 THR C 71 75.768 5.295 -9.268 1.00 0.00 C ATOM 0 H THR C 71 74.881 2.318 -9.689 1.00 0.00 H new ATOM 0 HA THR C 71 75.286 3.754 -7.057 1.00 0.00 H new ATOM 0 HB THR C 71 73.864 5.461 -8.277 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.533 5.073 -10.554 1.00 0.00 H new ATOM 0 HG21 THR C 71 75.592 6.156 -9.914 1.00 0.00 H new ATOM 0 HG22 THR C 71 76.334 5.609 -8.391 1.00 0.00 H new ATOM 0 HG23 THR C 71 76.334 4.541 -9.815 1.00 0.00 H new ATOM 1073 N VAL C 72 72.976 3.356 -6.182 1.00 0.00 N ATOM 1074 CA VAL C 72 71.693 2.884 -5.569 1.00 0.00 C ATOM 1075 C VAL C 72 70.569 3.901 -5.819 1.00 0.00 C ATOM 1076 O VAL C 72 70.740 5.093 -5.632 1.00 0.00 O ATOM 1077 CB VAL C 72 71.992 2.773 -4.068 1.00 0.00 C ATOM 1078 CG1 VAL C 72 70.697 2.527 -3.282 1.00 0.00 C ATOM 1079 CG2 VAL C 72 72.950 1.609 -3.817 1.00 0.00 C ATOM 0 H VAL C 72 73.519 3.993 -5.600 1.00 0.00 H new ATOM 0 HA VAL C 72 71.359 1.938 -5.994 1.00 0.00 H new ATOM 0 HB VAL C 72 72.445 3.707 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL C 72 70.926 2.451 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL C 72 70.009 3.356 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL C 72 70.236 1.600 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL C 72 73.160 1.534 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL C 72 72.494 0.681 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL C 72 73.880 1.780 -4.358 1.00 0.00 H new ATOM 1089 N ASP C 73 69.417 3.428 -6.220 1.00 0.00 N ATOM 1090 CA ASP C 73 68.260 4.343 -6.468 1.00 0.00 C ATOM 1091 C ASP C 73 67.109 4.002 -5.501 1.00 0.00 C ATOM 1092 O ASP C 73 67.297 3.290 -4.532 1.00 0.00 O ATOM 1093 CB ASP C 73 67.870 4.097 -7.935 1.00 0.00 C ATOM 1094 CG ASP C 73 66.981 2.855 -8.052 1.00 0.00 C ATOM 1095 OD1 ASP C 73 67.475 1.768 -7.811 1.00 0.00 O ATOM 1096 OD2 ASP C 73 65.819 3.013 -8.387 1.00 0.00 O1- ATOM 0 H ASP C 73 69.226 2.440 -6.388 1.00 0.00 H new ATOM 0 HA ASP C 73 68.500 5.393 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.344 4.967 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP C 73 68.768 3.967 -8.539 1.00 0.00 H new ATOM 1101 N PHE C 74 65.926 4.506 -5.753 1.00 0.00 N ATOM 1102 CA PHE C 74 64.770 4.214 -4.841 1.00 0.00 C ATOM 1103 C PHE C 74 64.494 2.703 -4.786 1.00 0.00 C ATOM 1104 O PHE C 74 64.261 2.146 -3.728 1.00 0.00 O ATOM 1105 CB PHE C 74 63.580 4.957 -5.457 1.00 0.00 C ATOM 1106 CG PHE C 74 62.418 4.960 -4.489 1.00 0.00 C ATOM 1107 CD1 PHE C 74 62.490 5.705 -3.305 1.00 0.00 C ATOM 1108 CD2 PHE C 74 61.266 4.222 -4.782 1.00 0.00 C ATOM 1109 CE1 PHE C 74 61.410 5.709 -2.415 1.00 0.00 C ATOM 1110 CE2 PHE C 74 60.188 4.225 -3.892 1.00 0.00 C ATOM 1111 CZ PHE C 74 60.259 4.970 -2.708 1.00 0.00 C ATOM 0 H PHE C 74 65.708 5.106 -6.549 1.00 0.00 H new ATOM 0 HA PHE C 74 64.966 4.533 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.865 5.981 -5.699 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.285 4.479 -6.391 1.00 0.00 H new ATOM 0 HD1 PHE C 74 63.378 6.276 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.210 3.650 -5.696 1.00 0.00 H new ATOM 0 HE1 PHE C 74 61.465 6.283 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.300 3.653 -4.117 1.00 0.00 H new ATOM 0 HZ PHE C 74 59.425 4.974 -2.021 1.00 0.00 H new ATOM 1121 N ASP C 75 64.525 2.042 -5.919 1.00 0.00 N ATOM 1122 CA ASP C 75 64.276 0.566 -5.948 1.00 0.00 C ATOM 1123 C ASP C 75 65.350 -0.168 -5.131 1.00 0.00 C ATOM 1124 O ASP C 75 65.045 -0.869 -4.184 1.00 0.00 O ATOM 1125 CB ASP C 75 64.356 0.183 -7.432 1.00 0.00 C ATOM 1126 CG ASP C 75 64.122 -1.320 -7.590 1.00 0.00 C ATOM 1127 OD1 ASP C 75 62.972 -1.724 -7.592 1.00 0.00 O1- ATOM 1128 OD2 ASP C 75 65.100 -2.040 -7.713 1.00 0.00 O ATOM 0 H ASP C 75 64.713 2.464 -6.829 1.00 0.00 H new ATOM 0 HA ASP C 75 63.314 0.295 -5.512 1.00 0.00 H new ATOM 0 HB2 ASP C 75 63.611 0.739 -8.002 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.332 0.453 -7.835 1.00 0.00 H new ATOM 1133 N GLU C 76 66.602 -0.004 -5.488 1.00 0.00 N ATOM 1134 CA GLU C 76 67.706 -0.684 -4.734 1.00 0.00 C ATOM 1135 C GLU C 76 67.634 -0.333 -3.240 1.00 0.00 C ATOM 1136 O GLU C 76 67.710 -1.201 -2.394 1.00 0.00 O ATOM 1137 CB GLU C 76 69.002 -0.148 -5.349 1.00 0.00 C ATOM 1138 CG GLU C 76 69.628 -1.216 -6.258 1.00 0.00 C ATOM 1139 CD GLU C 76 70.017 -0.599 -7.606 1.00 0.00 C ATOM 1140 OE1 GLU C 76 70.321 0.582 -7.643 1.00 0.00 O ATOM 1141 OE2 GLU C 76 70.016 -1.326 -8.582 1.00 0.00 O1- ATOM 0 H GLU C 76 66.909 0.573 -6.271 1.00 0.00 H new ATOM 0 HA GLU C 76 67.639 -1.770 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU C 76 68.796 0.756 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU C 76 69.702 0.128 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU C 76 70.508 -1.643 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU C 76 68.922 -2.032 -6.413 1.00 0.00 H new ATOM 1148 N PHE C 77 67.483 0.931 -2.916 1.00 0.00 N ATOM 1149 CA PHE C 77 67.399 1.341 -1.475 1.00 0.00 C ATOM 1150 C PHE C 77 66.291 0.548 -0.757 1.00 0.00 C ATOM 1151 O PHE C 77 66.482 0.061 0.344 1.00 0.00 O ATOM 1152 CB PHE C 77 67.077 2.849 -1.509 1.00 0.00 C ATOM 1153 CG PHE C 77 66.492 3.295 -0.189 1.00 0.00 C ATOM 1154 CD1 PHE C 77 67.258 3.221 0.981 1.00 0.00 C ATOM 1155 CD2 PHE C 77 65.181 3.780 -0.138 1.00 0.00 C ATOM 1156 CE1 PHE C 77 66.712 3.631 2.202 1.00 0.00 C ATOM 1157 CE2 PHE C 77 64.634 4.192 1.082 1.00 0.00 C ATOM 1158 CZ PHE C 77 65.398 4.117 2.253 1.00 0.00 C ATOM 0 H PHE C 77 67.414 1.696 -3.587 1.00 0.00 H new ATOM 0 HA PHE C 77 68.321 1.141 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE C 77 67.983 3.416 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE C 77 66.373 3.059 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE C 77 68.270 2.847 0.941 1.00 0.00 H new ATOM 0 HD2 PHE C 77 64.591 3.836 -1.041 1.00 0.00 H new ATOM 0 HE1 PHE C 77 67.302 3.573 3.105 1.00 0.00 H new ATOM 0 HE2 PHE C 77 63.622 4.568 1.121 1.00 0.00 H new ATOM 0 HZ PHE C 77 64.975 4.433 3.195 1.00 0.00 H new ATOM 1168 N LEU C 78 65.140 0.410 -1.375 1.00 0.00 N ATOM 1169 CA LEU C 78 64.017 -0.354 -0.733 1.00 0.00 C ATOM 1170 C LEU C 78 64.393 -1.837 -0.575 1.00 0.00 C ATOM 1171 O LEU C 78 64.120 -2.447 0.443 1.00 0.00 O ATOM 1172 CB LEU C 78 62.828 -0.196 -1.690 1.00 0.00 C ATOM 1173 CG LEU C 78 61.831 0.813 -1.113 1.00 0.00 C ATOM 1174 CD1 LEU C 78 61.160 1.580 -2.253 1.00 0.00 C ATOM 1175 CD2 LEU C 78 60.762 0.072 -0.304 1.00 0.00 C ATOM 0 H LEU C 78 64.929 0.793 -2.296 1.00 0.00 H new ATOM 0 HA LEU C 78 63.788 0.018 0.266 1.00 0.00 H new ATOM 0 HB2 LEU C 78 63.177 0.141 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU C 78 62.340 -1.159 -1.841 1.00 0.00 H new ATOM 0 HG LEU C 78 62.360 1.512 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU C 78 60.451 2.298 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU C 78 61.918 2.109 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU C 78 60.633 0.880 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU C 78 60.053 0.791 0.106 1.00 0.00 H new ATOM 0 HD22 LEU C 78 60.235 -0.628 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU C 78 61.236 -0.475 0.511 1.00 0.00 H new ATOM 1187 N VAL C 79 65.025 -2.410 -1.571 1.00 0.00 N ATOM 1188 CA VAL C 79 65.438 -3.852 -1.491 1.00 0.00 C ATOM 1189 C VAL C 79 66.618 -4.011 -0.517 1.00 0.00 C ATOM 1190 O VAL C 79 66.813 -5.057 0.073 1.00 0.00 O ATOM 1191 CB VAL C 79 65.861 -4.226 -2.920 1.00 0.00 C ATOM 1192 CG1 VAL C 79 66.300 -5.692 -2.965 1.00 0.00 C ATOM 1193 CG2 VAL C 79 64.685 -4.022 -3.884 1.00 0.00 C ATOM 0 H VAL C 79 65.275 -1.941 -2.441 1.00 0.00 H new ATOM 0 HA VAL C 79 64.636 -4.493 -1.125 1.00 0.00 H new ATOM 0 HB VAL C 79 66.692 -3.587 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL C 79 66.599 -5.951 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL C 79 67.143 -5.840 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL C 79 65.471 -6.330 -2.657 1.00 0.00 H new ATOM 0 HG21 VAL C 79 64.993 -4.289 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL C 79 63.851 -4.654 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL C 79 64.375 -2.977 -3.863 1.00 0.00 H new ATOM 1203 N MET C 80 67.403 -2.977 -0.350 1.00 0.00 N ATOM 1204 CA MET C 80 68.571 -3.045 0.582 1.00 0.00 C ATOM 1205 C MET C 80 68.092 -2.998 2.042 1.00 0.00 C ATOM 1206 O MET C 80 68.633 -3.669 2.905 1.00 0.00 O ATOM 1207 CB MET C 80 69.401 -1.803 0.245 1.00 0.00 C ATOM 1208 CG MET C 80 70.648 -1.742 1.133 1.00 0.00 C ATOM 1209 SD MET C 80 72.127 -1.726 0.089 1.00 0.00 S ATOM 1210 CE MET C 80 73.008 -0.381 0.926 1.00 0.00 C ATOM 0 H MET C 80 67.284 -2.081 -0.823 1.00 0.00 H new ATOM 0 HA MET C 80 69.143 -3.966 0.471 1.00 0.00 H new ATOM 0 HB2 MET C 80 69.694 -1.827 -0.805 1.00 0.00 H new ATOM 0 HB3 MET C 80 68.800 -0.905 0.388 1.00 0.00 H new ATOM 0 HG2 MET C 80 70.620 -0.849 1.758 1.00 0.00 H new ATOM 0 HG3 MET C 80 70.672 -2.600 1.805 1.00 0.00 H new ATOM 0 HE1 MET C 80 73.551 0.212 0.190 1.00 0.00 H new ATOM 0 HE2 MET C 80 72.292 0.254 1.447 1.00 0.00 H new ATOM 0 HE3 MET C 80 73.712 -0.799 1.645 1.00 0.00 H new ATOM 1220 N MET C 81 67.084 -2.205 2.319 1.00 0.00 N ATOM 1221 CA MET C 81 66.558 -2.092 3.718 1.00 0.00 C ATOM 1222 C MET C 81 66.039 -3.447 4.225 1.00 0.00 C ATOM 1223 O MET C 81 66.403 -3.888 5.301 1.00 0.00 O ATOM 1224 CB MET C 81 65.420 -1.071 3.623 1.00 0.00 C ATOM 1225 CG MET C 81 65.791 0.185 4.410 1.00 0.00 C ATOM 1226 SD MET C 81 67.435 0.755 3.911 1.00 0.00 S ATOM 1227 CE MET C 81 67.599 2.031 5.179 1.00 0.00 C ATOM 0 H MET C 81 66.600 -1.627 1.632 1.00 0.00 H new ATOM 0 HA MET C 81 67.331 -1.784 4.423 1.00 0.00 H new ATOM 0 HB2 MET C 81 65.232 -0.817 2.580 1.00 0.00 H new ATOM 0 HB3 MET C 81 64.499 -1.500 4.017 1.00 0.00 H new ATOM 0 HG2 MET C 81 65.054 0.968 4.232 1.00 0.00 H new ATOM 0 HG3 MET C 81 65.778 -0.027 5.479 1.00 0.00 H new ATOM 0 HE1 MET C 81 68.520 2.591 5.015 1.00 0.00 H new ATOM 0 HE2 MET C 81 66.747 2.709 5.125 1.00 0.00 H new ATOM 0 HE3 MET C 81 67.629 1.564 6.163 1.00 0.00 H new ATOM 1237 N VAL C 82 65.198 -4.115 3.466 1.00 0.00 N ATOM 1238 CA VAL C 82 64.669 -5.449 3.923 1.00 0.00 C ATOM 1239 C VAL C 82 65.824 -6.454 4.076 1.00 0.00 C ATOM 1240 O VAL C 82 65.821 -7.279 4.968 1.00 0.00 O ATOM 1241 CB VAL C 82 63.672 -5.925 2.850 1.00 0.00 C ATOM 1242 CG1 VAL C 82 62.537 -4.915 2.721 1.00 0.00 C ATOM 1243 CG2 VAL C 82 64.368 -6.076 1.493 1.00 0.00 C ATOM 0 H VAL C 82 64.856 -3.800 2.558 1.00 0.00 H new ATOM 0 HA VAL C 82 64.179 -5.367 4.893 1.00 0.00 H new ATOM 0 HB VAL C 82 63.276 -6.894 3.153 1.00 0.00 H new ATOM 0 HG11 VAL C 82 61.833 -5.254 1.961 1.00 0.00 H new ATOM 0 HG12 VAL C 82 62.022 -4.822 3.677 1.00 0.00 H new ATOM 0 HG13 VAL C 82 62.944 -3.946 2.432 1.00 0.00 H new ATOM 0 HG21 VAL C 82 63.646 -6.413 0.749 1.00 0.00 H new ATOM 0 HG22 VAL C 82 64.782 -5.115 1.187 1.00 0.00 H new ATOM 0 HG23 VAL C 82 65.172 -6.807 1.576 1.00 0.00 H new ATOM 1253 N ARG C 83 66.819 -6.372 3.222 1.00 0.00 N ATOM 1254 CA ARG C 83 67.989 -7.302 3.323 1.00 0.00 C ATOM 1255 C ARG C 83 68.735 -7.058 4.651 1.00 0.00 C ATOM 1256 O ARG C 83 69.200 -7.983 5.288 1.00 0.00 O ATOM 1257 CB ARG C 83 68.875 -6.950 2.119 1.00 0.00 C ATOM 1258 CG ARG C 83 68.590 -7.910 0.960 1.00 0.00 C ATOM 1259 CD ARG C 83 69.049 -7.271 -0.356 1.00 0.00 C ATOM 1260 NE ARG C 83 70.078 -8.201 -0.901 1.00 0.00 N ATOM 1261 CZ ARG C 83 69.740 -9.079 -1.800 1.00 0.00 C ATOM 1262 NH1 ARG C 83 68.955 -10.065 -1.480 1.00 0.00 N1+ ATOM 1263 NH2 ARG C 83 70.193 -8.968 -3.015 1.00 0.00 N ATOM 0 H ARG C 83 66.870 -5.699 2.458 1.00 0.00 H new ATOM 0 HA ARG C 83 67.698 -8.352 3.313 1.00 0.00 H new ATOM 0 HB2 ARG C 83 68.686 -5.923 1.806 1.00 0.00 H new ATOM 0 HB3 ARG C 83 69.926 -7.009 2.401 1.00 0.00 H new ATOM 0 HG2 ARG C 83 69.110 -8.854 1.119 1.00 0.00 H new ATOM 0 HG3 ARG C 83 67.525 -8.137 0.915 1.00 0.00 H new ATOM 0 HD2 ARG C 83 68.216 -7.155 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG C 83 69.465 -6.278 -0.188 1.00 0.00 H new ATOM 0 HE ARG C 83 71.042 -8.150 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG C 83 68.605 -10.149 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG C 83 68.689 -10.754 -2.183 1.00 0.00 H new ATOM 0 HH21 ARG C 83 70.811 -8.195 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG C 83 69.930 -9.655 -3.722 1.00 0.00 H new ATOM 1277 N SER C 84 68.830 -5.819 5.075 1.00 0.00 N ATOM 1278 CA SER C 84 69.523 -5.501 6.368 1.00 0.00 C ATOM 1279 C SER C 84 68.649 -5.918 7.562 1.00 0.00 C ATOM 1280 O SER C 84 69.147 -6.382 8.572 1.00 0.00 O ATOM 1281 CB SER C 84 69.728 -3.983 6.351 1.00 0.00 C ATOM 1282 OG SER C 84 70.533 -3.598 7.458 1.00 0.00 O ATOM 0 H SER C 84 68.456 -5.010 4.579 1.00 0.00 H new ATOM 0 HA SER C 84 70.467 -6.036 6.469 1.00 0.00 H new ATOM 0 HB2 SER C 84 70.205 -3.681 5.419 1.00 0.00 H new ATOM 0 HB3 SER C 84 68.764 -3.475 6.395 1.00 0.00 H new ATOM 0 HG SER C 84 70.359 -2.659 7.678 1.00 0.00 H new ATOM 1288 N MET C 85 67.350 -5.762 7.452 1.00 0.00 N ATOM 1289 CA MET C 85 66.443 -6.156 8.578 1.00 0.00 C ATOM 1290 C MET C 85 66.346 -7.686 8.674 1.00 0.00 C ATOM 1291 O MET C 85 66.488 -8.257 9.738 1.00 0.00 O ATOM 1292 CB MET C 85 65.080 -5.554 8.222 1.00 0.00 C ATOM 1293 CG MET C 85 65.010 -4.115 8.733 1.00 0.00 C ATOM 1294 SD MET C 85 63.291 -3.547 8.712 1.00 0.00 S ATOM 1295 CE MET C 85 63.305 -2.833 7.050 1.00 0.00 C ATOM 0 H MET C 85 66.879 -5.379 6.632 1.00 0.00 H new ATOM 0 HA MET C 85 66.807 -5.800 9.542 1.00 0.00 H new ATOM 0 HB2 MET C 85 64.932 -5.576 7.142 1.00 0.00 H new ATOM 0 HB3 MET C 85 64.281 -6.148 8.665 1.00 0.00 H new ATOM 0 HG2 MET C 85 65.410 -4.058 9.745 1.00 0.00 H new ATOM 0 HG3 MET C 85 65.626 -3.467 8.110 1.00 0.00 H new ATOM 0 HE1 MET C 85 63.408 -1.750 7.120 1.00 0.00 H new ATOM 0 HE2 MET C 85 64.143 -3.242 6.485 1.00 0.00 H new ATOM 0 HE3 MET C 85 62.372 -3.076 6.542 1.00 0.00 H new