USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 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 35 SER OG : rot -150:sc= 0 USER MOD Set 1.2: C 69 SER OG : rot 111:sc= 1.2 USER MOD Set 1.3: C 71 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.1: C 45 MET CE :methyl -142:sc= -3.92 (180deg=-5.07!) USER MOD Set 2.2: C 50 GLN : amide:sc= 0.399 K(o=-9.4,f=-11) USER MOD Set 2.3: C 60 MET CE :methyl 162:sc= -1.35! (180deg=-3.27!) USER MOD Set 2.4: C 80 MET CE :methyl 145:sc= -4.48! (180deg=-3.18!) USER MOD Set 2.5: C 81 MET CE :methyl 171:sc= -0.073 (180deg=-0.0764) USER MOD Set 2.6: C 84 SER OG : rot 81:sc= 0.0717 USER MOD Set 3.1: C 13 THR OG1 : rot 180:sc= -0.991 USER MOD Set 3.2: C 16 GLN : amide:sc= -2.14! C(o=-3.1!,f=-3!) USER MOD Set 3.3: C 85 MET CE :methyl -126:sc=-0.00536 (180deg=-0.0921) USER MOD Single : C 5 TYR OH : rot 180:sc= 0.622 USER MOD Single : C 6 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.11) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.14) USER MOD Single : C 18 ASN : amide:sc= 0.872 K(o=0.87,f=-0.2) USER MOD Single : C 21 LYS NZ :NH3+ -120:sc= 0.391 (180deg=-0.347) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -119:sc= 0 (180deg=-0.0748) USER MOD Single : C 51 ASN : amide:sc= 0.768 K(o=0.77,f=-4.3!) USER MOD Single : C 53 THR OG1 : rot -175:sc= 0.0327 USER MOD Single : C 58 GLN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 61.889 -12.786 -0.887 1.00 0.00 N ATOM 64 CA TYR C 5 61.989 -11.456 -1.566 1.00 0.00 C ATOM 65 C TYR C 5 60.582 -10.946 -1.908 1.00 0.00 C ATOM 66 O TYR C 5 60.292 -9.772 -1.779 1.00 0.00 O ATOM 67 CB TYR C 5 62.805 -11.707 -2.840 1.00 0.00 C ATOM 68 CG TYR C 5 64.269 -11.874 -2.492 1.00 0.00 C ATOM 69 CD1 TYR C 5 65.052 -10.747 -2.209 1.00 0.00 C ATOM 70 CD2 TYR C 5 64.846 -13.151 -2.460 1.00 0.00 C ATOM 71 CE1 TYR C 5 66.408 -10.896 -1.896 1.00 0.00 C ATOM 72 CE2 TYR C 5 66.207 -13.299 -2.149 1.00 0.00 C ATOM 73 CZ TYR C 5 66.987 -12.170 -1.865 1.00 0.00 C ATOM 74 OH TYR C 5 68.328 -12.311 -1.561 1.00 0.00 O ATOM 0 HA TYR C 5 62.462 -10.701 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR C 5 62.439 -12.600 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR C 5 62.680 -10.874 -3.532 1.00 0.00 H new ATOM 0 HD1 TYR C 5 64.609 -9.762 -2.232 1.00 0.00 H new ATOM 0 HD2 TYR C 5 64.243 -14.021 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR C 5 67.009 -10.026 -1.678 1.00 0.00 H new ATOM 0 HE2 TYR C 5 66.653 -14.283 -2.129 1.00 0.00 H new ATOM 0 HH TYR C 5 68.570 -13.260 -1.581 1.00 0.00 H new ATOM 84 N LYS C 6 59.706 -11.827 -2.329 1.00 0.00 N ATOM 85 CA LYS C 6 58.312 -11.412 -2.668 1.00 0.00 C ATOM 86 C LYS C 6 57.505 -11.153 -1.388 1.00 0.00 C ATOM 87 O LYS C 6 56.714 -10.231 -1.326 1.00 0.00 O ATOM 88 CB LYS C 6 57.721 -12.592 -3.446 1.00 0.00 C ATOM 89 CG LYS C 6 56.509 -12.115 -4.254 1.00 0.00 C ATOM 90 CD LYS C 6 55.530 -13.278 -4.454 1.00 0.00 C ATOM 91 CE LYS C 6 54.236 -13.005 -3.677 1.00 0.00 C ATOM 92 NZ LYS C 6 54.479 -13.561 -2.317 1.00 0.00 N1+ ATOM 0 H LYS C 6 59.900 -12.821 -2.452 1.00 0.00 H new ATOM 0 HA LYS C 6 58.289 -10.489 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.473 -13.015 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS C 6 57.424 -13.383 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS C 6 56.013 -11.295 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS C 6 56.833 -11.730 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS C 6 55.309 -13.402 -5.514 1.00 0.00 H new ATOM 0 HD3 LYS C 6 55.982 -14.209 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS C 6 54.019 -11.938 -3.634 1.00 0.00 H new ATOM 0 HE3 LYS C 6 53.381 -13.485 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 53.679 -13.323 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 54.575 -14.595 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 55.353 -13.154 -1.927 1.00 0.00 H new ATOM 106 N ALA C 7 57.695 -11.960 -0.372 1.00 0.00 N ATOM 107 CA ALA C 7 56.937 -11.769 0.902 1.00 0.00 C ATOM 108 C ALA C 7 57.239 -10.394 1.524 1.00 0.00 C ATOM 109 O ALA C 7 56.358 -9.747 2.054 1.00 0.00 O ATOM 110 CB ALA C 7 57.414 -12.894 1.825 1.00 0.00 C ATOM 0 H ALA C 7 58.346 -12.746 -0.372 1.00 0.00 H new ATOM 0 HA ALA C 7 55.860 -11.802 0.738 1.00 0.00 H new ATOM 0 HB1 ALA C 7 56.901 -12.820 2.784 1.00 0.00 H new ATOM 0 HB2 ALA C 7 57.192 -13.858 1.368 1.00 0.00 H new ATOM 0 HB3 ALA C 7 58.489 -12.805 1.981 1.00 0.00 H new ATOM 116 N ALA C 8 58.472 -9.943 1.468 1.00 0.00 N ATOM 117 CA ALA C 8 58.813 -8.608 2.062 1.00 0.00 C ATOM 118 C ALA C 8 57.986 -7.502 1.390 1.00 0.00 C ATOM 119 O ALA C 8 57.254 -6.786 2.044 1.00 0.00 O ATOM 120 CB ALA C 8 60.309 -8.412 1.788 1.00 0.00 C ATOM 0 H ALA C 8 59.253 -10.439 1.039 1.00 0.00 H new ATOM 0 HA ALA C 8 58.592 -8.564 3.128 1.00 0.00 H new ATOM 0 HB1 ALA C 8 60.631 -7.454 2.195 1.00 0.00 H new ATOM 0 HB2 ALA C 8 60.874 -9.215 2.261 1.00 0.00 H new ATOM 0 HB3 ALA C 8 60.487 -8.428 0.713 1.00 0.00 H new ATOM 126 N VAL C 9 58.086 -7.367 0.089 1.00 0.00 N ATOM 127 CA VAL C 9 57.294 -6.315 -0.626 1.00 0.00 C ATOM 128 C VAL C 9 55.787 -6.575 -0.444 1.00 0.00 C ATOM 129 O VAL C 9 55.000 -5.651 -0.340 1.00 0.00 O ATOM 130 CB VAL C 9 57.701 -6.440 -2.104 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.750 -5.611 -2.972 1.00 0.00 C ATOM 132 CG2 VAL C 9 59.127 -5.919 -2.296 1.00 0.00 C ATOM 0 H VAL C 9 58.682 -7.940 -0.509 1.00 0.00 H new ATOM 0 HA VAL C 9 57.489 -5.314 -0.242 1.00 0.00 H new ATOM 0 HB VAL C 9 57.651 -7.489 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL C 9 57.041 -5.701 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL C 9 55.731 -5.976 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.801 -4.565 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL C 9 59.410 -6.010 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL C 9 59.175 -4.872 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL C 9 59.813 -6.503 -1.683 1.00 0.00 H new ATOM 142 N GLU C 10 55.383 -7.824 -0.403 1.00 0.00 N ATOM 143 CA GLU C 10 53.929 -8.148 -0.225 1.00 0.00 C ATOM 144 C GLU C 10 53.462 -7.813 1.205 1.00 0.00 C ATOM 145 O GLU C 10 52.298 -7.542 1.429 1.00 0.00 O ATOM 146 CB GLU C 10 53.815 -9.656 -0.491 1.00 0.00 C ATOM 147 CG GLU C 10 52.352 -10.102 -0.347 1.00 0.00 C ATOM 148 CD GLU C 10 52.042 -11.210 -1.356 1.00 0.00 C ATOM 149 OE1 GLU C 10 52.323 -12.357 -1.051 1.00 0.00 O1- ATOM 150 OE2 GLU C 10 51.523 -10.894 -2.413 1.00 0.00 O ATOM 0 H GLU C 10 55.998 -8.634 -0.485 1.00 0.00 H new ATOM 0 HA GLU C 10 53.301 -7.566 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU C 10 54.178 -9.886 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.443 -10.206 0.210 1.00 0.00 H new ATOM 0 HG2 GLU C 10 52.170 -10.460 0.666 1.00 0.00 H new ATOM 0 HG3 GLU C 10 51.687 -9.254 -0.510 1.00 0.00 H new ATOM 157 N GLN C 11 54.353 -7.831 2.173 1.00 0.00 N ATOM 158 CA GLN C 11 53.942 -7.515 3.580 1.00 0.00 C ATOM 159 C GLN C 11 54.377 -6.097 3.981 1.00 0.00 C ATOM 160 O GLN C 11 54.239 -5.701 5.125 1.00 0.00 O ATOM 161 CB GLN C 11 54.650 -8.555 4.452 1.00 0.00 C ATOM 162 CG GLN C 11 54.074 -9.944 4.160 1.00 0.00 C ATOM 163 CD GLN C 11 54.665 -10.965 5.137 1.00 0.00 C ATOM 164 OE1 GLN C 11 53.961 -11.505 5.968 1.00 0.00 O ATOM 165 NE2 GLN C 11 55.934 -11.259 5.075 1.00 0.00 N ATOM 0 H GLN C 11 55.342 -8.050 2.049 1.00 0.00 H new ATOM 0 HA GLN C 11 52.859 -7.550 3.694 1.00 0.00 H new ATOM 0 HB2 GLN C 11 55.721 -8.544 4.252 1.00 0.00 H new ATOM 0 HB3 GLN C 11 54.520 -8.310 5.506 1.00 0.00 H new ATOM 0 HG2 GLN C 11 52.988 -9.925 4.252 1.00 0.00 H new ATOM 0 HG3 GLN C 11 54.302 -10.234 3.134 1.00 0.00 H new ATOM 0 HE21 GLN C 11 56.528 -10.808 4.379 1.00 0.00 H new ATOM 0 HE22 GLN C 11 56.332 -11.940 5.722 1.00 0.00 H new ATOM 174 N LEU C 12 54.896 -5.324 3.057 1.00 0.00 N ATOM 175 CA LEU C 12 55.327 -3.936 3.402 1.00 0.00 C ATOM 176 C LEU C 12 54.103 -3.013 3.490 1.00 0.00 C ATOM 177 O LEU C 12 53.271 -2.977 2.601 1.00 0.00 O ATOM 178 CB LEU C 12 56.255 -3.504 2.265 1.00 0.00 C ATOM 179 CG LEU C 12 57.702 -3.868 2.615 1.00 0.00 C ATOM 180 CD1 LEU C 12 58.573 -3.772 1.357 1.00 0.00 C ATOM 181 CD2 LEU C 12 58.224 -2.902 3.686 1.00 0.00 C ATOM 0 H LEU C 12 55.039 -5.594 2.084 1.00 0.00 H new ATOM 0 HA LEU C 12 55.831 -3.888 4.367 1.00 0.00 H new ATOM 0 HB2 LEU C 12 55.961 -3.993 1.336 1.00 0.00 H new ATOM 0 HB3 LEU C 12 56.169 -2.430 2.100 1.00 0.00 H new ATOM 0 HG LEU C 12 57.741 -4.887 2.999 1.00 0.00 H new ATOM 0 HD11 LEU C 12 59.602 -4.031 1.606 1.00 0.00 H new ATOM 0 HD12 LEU C 12 58.198 -4.462 0.601 1.00 0.00 H new ATOM 0 HD13 LEU C 12 58.539 -2.754 0.968 1.00 0.00 H new ATOM 0 HD21 LEU C 12 59.253 -3.159 3.937 1.00 0.00 H new ATOM 0 HD22 LEU C 12 58.187 -1.882 3.305 1.00 0.00 H new ATOM 0 HD23 LEU C 12 57.603 -2.978 4.579 1.00 0.00 H new ATOM 193 N THR C 13 53.986 -2.273 4.562 1.00 0.00 N ATOM 194 CA THR C 13 52.815 -1.353 4.732 1.00 0.00 C ATOM 195 C THR C 13 53.133 0.035 4.165 1.00 0.00 C ATOM 196 O THR C 13 54.259 0.329 3.797 1.00 0.00 O ATOM 197 CB THR C 13 52.571 -1.281 6.248 1.00 0.00 C ATOM 198 OG1 THR C 13 53.757 -0.854 6.906 1.00 0.00 O ATOM 199 CG2 THR C 13 52.166 -2.664 6.772 1.00 0.00 C ATOM 0 H THR C 13 54.654 -2.264 5.333 1.00 0.00 H new ATOM 0 HA THR C 13 51.935 -1.712 4.199 1.00 0.00 H new ATOM 0 HB THR C 13 51.771 -0.569 6.448 1.00 0.00 H new ATOM 0 HG1 THR C 13 53.597 -0.808 7.872 1.00 0.00 H new ATOM 0 HG21 THR C 13 51.994 -2.610 7.847 1.00 0.00 H new ATOM 0 HG22 THR C 13 51.252 -2.989 6.274 1.00 0.00 H new ATOM 0 HG23 THR C 13 52.964 -3.378 6.568 1.00 0.00 H new ATOM 207 N GLU C 14 52.146 0.889 4.091 1.00 0.00 N ATOM 208 CA GLU C 14 52.377 2.262 3.548 1.00 0.00 C ATOM 209 C GLU C 14 53.335 3.049 4.457 1.00 0.00 C ATOM 210 O GLU C 14 54.123 3.849 3.990 1.00 0.00 O ATOM 211 CB GLU C 14 50.994 2.917 3.518 1.00 0.00 C ATOM 212 CG GLU C 14 50.419 2.845 2.096 1.00 0.00 C ATOM 213 CD GLU C 14 51.226 3.744 1.155 1.00 0.00 C ATOM 214 OE1 GLU C 14 51.025 4.945 1.196 1.00 0.00 O1- ATOM 215 OE2 GLU C 14 52.028 3.214 0.402 1.00 0.00 O ATOM 0 H GLU C 14 51.188 0.695 4.383 1.00 0.00 H new ATOM 0 HA GLU C 14 52.837 2.240 2.560 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.327 2.412 4.217 1.00 0.00 H new ATOM 0 HB3 GLU C 14 51.066 3.956 3.840 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.443 1.816 1.738 1.00 0.00 H new ATOM 0 HG3 GLU C 14 49.374 3.156 2.102 1.00 0.00 H new ATOM 222 N GLU C 15 53.281 2.822 5.749 1.00 0.00 N ATOM 223 CA GLU C 15 54.196 3.553 6.681 1.00 0.00 C ATOM 224 C GLU C 15 55.658 3.279 6.313 1.00 0.00 C ATOM 225 O GLU C 15 56.469 4.183 6.257 1.00 0.00 O ATOM 226 CB GLU C 15 53.881 3.003 8.075 1.00 0.00 C ATOM 227 CG GLU C 15 52.886 3.933 8.779 1.00 0.00 C ATOM 228 CD GLU C 15 53.504 5.325 8.937 1.00 0.00 C ATOM 229 OE1 GLU C 15 54.312 5.495 9.835 1.00 0.00 O1- ATOM 230 OE2 GLU C 15 53.159 6.199 8.158 1.00 0.00 O ATOM 0 H GLU C 15 52.644 2.163 6.197 1.00 0.00 H new ATOM 0 HA GLU C 15 54.052 4.632 6.631 1.00 0.00 H new ATOM 0 HB2 GLU C 15 53.463 1.999 7.996 1.00 0.00 H new ATOM 0 HB3 GLU C 15 54.796 2.922 8.661 1.00 0.00 H new ATOM 0 HG2 GLU C 15 51.963 3.998 8.202 1.00 0.00 H new ATOM 0 HG3 GLU C 15 52.624 3.528 9.756 1.00 0.00 H new ATOM 237 N GLN C 16 55.992 2.041 6.047 1.00 0.00 N ATOM 238 CA GLN C 16 57.401 1.709 5.664 1.00 0.00 C ATOM 239 C GLN C 16 57.767 2.450 4.372 1.00 0.00 C ATOM 240 O GLN C 16 58.855 2.968 4.224 1.00 0.00 O ATOM 241 CB GLN C 16 57.414 0.192 5.445 1.00 0.00 C ATOM 242 CG GLN C 16 57.052 -0.516 6.753 1.00 0.00 C ATOM 243 CD GLN C 16 57.646 -1.923 6.765 1.00 0.00 C ATOM 244 OE1 GLN C 16 58.845 -2.090 6.691 1.00 0.00 O ATOM 245 NE2 GLN C 16 56.855 -2.953 6.862 1.00 0.00 N ATOM 0 H GLN C 16 55.353 1.247 6.078 1.00 0.00 H new ATOM 0 HA GLN C 16 58.124 2.006 6.424 1.00 0.00 H new ATOM 0 HB2 GLN C 16 56.704 -0.079 4.664 1.00 0.00 H new ATOM 0 HB3 GLN C 16 58.399 -0.129 5.106 1.00 0.00 H new ATOM 0 HG2 GLN C 16 57.429 0.054 7.602 1.00 0.00 H new ATOM 0 HG3 GLN C 16 55.969 -0.568 6.860 1.00 0.00 H new ATOM 0 HE21 GLN C 16 55.846 -2.817 6.924 1.00 0.00 H new ATOM 0 HE22 GLN C 16 57.244 -3.896 6.876 1.00 0.00 H new ATOM 254 N LYS C 17 56.850 2.513 3.442 1.00 0.00 N ATOM 255 CA LYS C 17 57.119 3.234 2.158 1.00 0.00 C ATOM 256 C LYS C 17 57.318 4.735 2.412 1.00 0.00 C ATOM 257 O LYS C 17 58.069 5.393 1.714 1.00 0.00 O ATOM 258 CB LYS C 17 55.868 3.006 1.309 1.00 0.00 C ATOM 259 CG LYS C 17 56.176 1.985 0.212 1.00 0.00 C ATOM 260 CD LYS C 17 54.886 1.625 -0.519 1.00 0.00 C ATOM 261 CE LYS C 17 54.723 2.520 -1.753 1.00 0.00 C ATOM 262 NZ LYS C 17 53.261 2.513 -2.020 1.00 0.00 N1+ ATOM 0 H LYS C 17 55.922 2.095 3.515 1.00 0.00 H new ATOM 0 HA LYS C 17 58.024 2.872 1.670 1.00 0.00 H new ATOM 0 HB2 LYS C 17 55.051 2.648 1.935 1.00 0.00 H new ATOM 0 HB3 LYS C 17 55.541 3.946 0.865 1.00 0.00 H new ATOM 0 HG2 LYS C 17 56.902 2.396 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.623 1.091 0.647 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.907 0.577 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.032 1.749 0.147 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.088 3.529 -1.564 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.285 2.132 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 53.022 3.296 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 52.993 1.610 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 52.744 2.629 -1.125 1.00 0.00 H new ATOM 276 N ASN C 18 56.646 5.279 3.400 1.00 0.00 N ATOM 277 CA ASN C 18 56.785 6.739 3.696 1.00 0.00 C ATOM 278 C ASN C 18 58.139 7.019 4.366 1.00 0.00 C ATOM 279 O ASN C 18 58.818 7.967 4.022 1.00 0.00 O ATOM 280 CB ASN C 18 55.583 7.067 4.614 1.00 0.00 C ATOM 281 CG ASN C 18 56.031 7.616 5.979 1.00 0.00 C ATOM 282 OD1 ASN C 18 56.255 8.800 6.128 1.00 0.00 O ATOM 283 ND2 ASN C 18 56.154 6.804 6.992 1.00 0.00 N ATOM 0 H ASN C 18 56.007 4.773 4.014 1.00 0.00 H new ATOM 0 HA ASN C 18 56.772 7.364 2.803 1.00 0.00 H new ATOM 0 HB2 ASN C 18 54.941 7.798 4.123 1.00 0.00 H new ATOM 0 HB3 ASN C 18 54.986 6.168 4.764 1.00 0.00 H new ATOM 0 HD21 ASN C 18 56.437 7.165 7.903 1.00 0.00 H new ATOM 0 HD22 ASN C 18 55.967 5.808 6.873 1.00 0.00 H new ATOM 290 N GLU C 19 58.539 6.200 5.309 1.00 0.00 N ATOM 291 CA GLU C 19 59.854 6.422 5.995 1.00 0.00 C ATOM 292 C GLU C 19 61.025 6.065 5.067 1.00 0.00 C ATOM 293 O GLU C 19 62.103 6.613 5.187 1.00 0.00 O ATOM 294 CB GLU C 19 59.843 5.514 7.235 1.00 0.00 C ATOM 295 CG GLU C 19 59.756 4.041 6.823 1.00 0.00 C ATOM 296 CD GLU C 19 59.472 3.182 8.056 1.00 0.00 C ATOM 297 OE1 GLU C 19 58.369 3.261 8.572 1.00 0.00 O ATOM 298 OE2 GLU C 19 60.362 2.457 8.464 1.00 0.00 O1- ATOM 0 H GLU C 19 58.014 5.388 5.634 1.00 0.00 H new ATOM 0 HA GLU C 19 59.985 7.469 6.270 1.00 0.00 H new ATOM 0 HB2 GLU C 19 60.746 5.680 7.822 1.00 0.00 H new ATOM 0 HB3 GLU C 19 58.997 5.770 7.872 1.00 0.00 H new ATOM 0 HG2 GLU C 19 58.967 3.905 6.083 1.00 0.00 H new ATOM 0 HG3 GLU C 19 60.689 3.727 6.355 1.00 0.00 H new ATOM 305 N PHE C 20 60.832 5.154 4.145 1.00 0.00 N ATOM 306 CA PHE C 20 61.950 4.783 3.221 1.00 0.00 C ATOM 307 C PHE C 20 62.160 5.877 2.164 1.00 0.00 C ATOM 308 O PHE C 20 63.278 6.192 1.806 1.00 0.00 O ATOM 309 CB PHE C 20 61.519 3.470 2.559 1.00 0.00 C ATOM 310 CG PHE C 20 61.830 2.296 3.471 1.00 0.00 C ATOM 311 CD1 PHE C 20 63.005 2.282 4.240 1.00 0.00 C ATOM 312 CD2 PHE C 20 60.937 1.220 3.548 1.00 0.00 C ATOM 313 CE1 PHE C 20 63.281 1.195 5.077 1.00 0.00 C ATOM 314 CE2 PHE C 20 61.217 0.130 4.386 1.00 0.00 C ATOM 315 CZ PHE C 20 62.387 0.121 5.151 1.00 0.00 C ATOM 0 H PHE C 20 59.956 4.654 3.992 1.00 0.00 H new ATOM 0 HA PHE C 20 62.894 4.674 3.754 1.00 0.00 H new ATOM 0 HB2 PHE C 20 60.451 3.498 2.341 1.00 0.00 H new ATOM 0 HB3 PHE C 20 62.036 3.347 1.607 1.00 0.00 H new ATOM 0 HD1 PHE C 20 63.696 3.110 4.185 1.00 0.00 H new ATOM 0 HD2 PHE C 20 60.031 1.229 2.961 1.00 0.00 H new ATOM 0 HE1 PHE C 20 64.186 1.185 5.667 1.00 0.00 H new ATOM 0 HE2 PHE C 20 60.529 -0.701 4.440 1.00 0.00 H new ATOM 0 HZ PHE C 20 62.601 -0.716 5.800 1.00 0.00 H new ATOM 325 N LYS C 21 61.093 6.455 1.665 1.00 0.00 N ATOM 326 CA LYS C 21 61.226 7.527 0.631 1.00 0.00 C ATOM 327 C LYS C 21 61.534 8.882 1.287 1.00 0.00 C ATOM 328 O LYS C 21 62.388 9.616 0.821 1.00 0.00 O ATOM 329 CB LYS C 21 59.869 7.563 -0.079 1.00 0.00 C ATOM 330 CG LYS C 21 60.041 8.116 -1.497 1.00 0.00 C ATOM 331 CD LYS C 21 59.553 9.566 -1.550 1.00 0.00 C ATOM 332 CE LYS C 21 59.521 10.038 -3.008 1.00 0.00 C ATOM 333 NZ LYS C 21 59.892 11.480 -2.965 1.00 0.00 N1+ ATOM 0 H LYS C 21 60.134 6.229 1.931 1.00 0.00 H new ATOM 0 HA LYS C 21 62.044 7.328 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS C 21 59.442 6.561 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS C 21 59.171 8.185 0.482 1.00 0.00 H new ATOM 0 HG2 LYS C 21 61.089 8.064 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS C 21 59.479 7.507 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.559 9.643 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS C 21 60.213 10.205 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.222 9.470 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS C 21 58.532 9.900 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 59.116 12.050 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 60.067 11.764 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 60.753 11.634 -3.528 1.00 0.00 H new ATOM 347 N ALA C 22 60.850 9.216 2.360 1.00 0.00 N ATOM 348 CA ALA C 22 61.102 10.529 3.044 1.00 0.00 C ATOM 349 C ALA C 22 62.592 10.695 3.372 1.00 0.00 C ATOM 350 O ALA C 22 63.162 11.748 3.162 1.00 0.00 O ATOM 351 CB ALA C 22 60.270 10.487 4.328 1.00 0.00 C ATOM 0 H ALA C 22 60.129 8.637 2.791 1.00 0.00 H new ATOM 0 HA ALA C 22 60.826 11.372 2.410 1.00 0.00 H new ATOM 0 HB1 ALA C 22 60.406 11.417 4.880 1.00 0.00 H new ATOM 0 HB2 ALA C 22 59.217 10.366 4.075 1.00 0.00 H new ATOM 0 HB3 ALA C 22 60.594 9.648 4.944 1.00 0.00 H new ATOM 357 N ALA C 23 63.230 9.663 3.873 1.00 0.00 N ATOM 358 CA ALA C 23 64.685 9.770 4.195 1.00 0.00 C ATOM 359 C ALA C 23 65.488 9.882 2.892 1.00 0.00 C ATOM 360 O ALA C 23 66.432 10.639 2.802 1.00 0.00 O ATOM 361 CB ALA C 23 65.039 8.473 4.940 1.00 0.00 C ATOM 0 H ALA C 23 62.807 8.756 4.071 1.00 0.00 H new ATOM 0 HA ALA C 23 64.915 10.648 4.799 1.00 0.00 H new ATOM 0 HB1 ALA C 23 66.096 8.484 5.207 1.00 0.00 H new ATOM 0 HB2 ALA C 23 64.436 8.397 5.845 1.00 0.00 H new ATOM 0 HB3 ALA C 23 64.836 7.617 4.296 1.00 0.00 H new ATOM 367 N PHE C 24 65.107 9.134 1.882 1.00 0.00 N ATOM 368 CA PHE C 24 65.834 9.181 0.572 1.00 0.00 C ATOM 369 C PHE C 24 65.746 10.575 -0.072 1.00 0.00 C ATOM 370 O PHE C 24 66.645 10.990 -0.778 1.00 0.00 O ATOM 371 CB PHE C 24 65.136 8.145 -0.313 1.00 0.00 C ATOM 372 CG PHE C 24 66.168 7.435 -1.158 1.00 0.00 C ATOM 373 CD1 PHE C 24 66.949 6.417 -0.598 1.00 0.00 C ATOM 374 CD2 PHE C 24 66.347 7.796 -2.501 1.00 0.00 C ATOM 375 CE1 PHE C 24 67.910 5.764 -1.378 1.00 0.00 C ATOM 376 CE2 PHE C 24 67.309 7.142 -3.279 1.00 0.00 C ATOM 377 CZ PHE C 24 68.089 6.125 -2.719 1.00 0.00 C ATOM 0 H PHE C 24 64.318 8.488 1.910 1.00 0.00 H new ATOM 0 HA PHE C 24 66.895 8.970 0.703 1.00 0.00 H new ATOM 0 HB2 PHE C 24 64.597 7.426 0.304 1.00 0.00 H new ATOM 0 HB3 PHE C 24 64.399 8.632 -0.951 1.00 0.00 H new ATOM 0 HD1 PHE C 24 66.810 6.136 0.435 1.00 0.00 H new ATOM 0 HD2 PHE C 24 65.743 8.579 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE C 24 68.514 4.981 -0.945 1.00 0.00 H new ATOM 0 HE2 PHE C 24 67.449 7.423 -4.312 1.00 0.00 H new ATOM 0 HZ PHE C 24 68.829 5.618 -3.321 1.00 0.00 H new ATOM 387 N ASP C 25 64.676 11.295 0.158 1.00 0.00 N ATOM 388 CA ASP C 25 64.538 12.656 -0.451 1.00 0.00 C ATOM 389 C ASP C 25 65.698 13.569 -0.023 1.00 0.00 C ATOM 390 O ASP C 25 66.117 14.433 -0.768 1.00 0.00 O ATOM 391 CB ASP C 25 63.203 13.198 0.071 1.00 0.00 C ATOM 392 CG ASP C 25 62.073 12.801 -0.882 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.185 13.089 -2.064 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.115 12.212 -0.415 1.00 0.00 O1- ATOM 0 H ASP C 25 63.892 11.000 0.740 1.00 0.00 H new ATOM 0 HA ASP C 25 64.564 12.615 -1.540 1.00 0.00 H new ATOM 0 HB2 ASP C 25 63.005 12.804 1.068 1.00 0.00 H new ATOM 0 HB3 ASP C 25 63.251 14.283 0.161 1.00 0.00 H new ATOM 399 N ILE C 26 66.222 13.382 1.166 1.00 0.00 N ATOM 400 CA ILE C 26 67.358 14.243 1.638 1.00 0.00 C ATOM 401 C ILE C 26 68.578 14.106 0.710 1.00 0.00 C ATOM 402 O ILE C 26 69.237 15.081 0.412 1.00 0.00 O ATOM 403 CB ILE C 26 67.681 13.744 3.055 1.00 0.00 C ATOM 404 CG1 ILE C 26 66.569 14.178 4.020 1.00 0.00 C ATOM 405 CG2 ILE C 26 69.008 14.337 3.540 1.00 0.00 C ATOM 406 CD1 ILE C 26 66.204 13.006 4.931 1.00 0.00 C ATOM 0 H ILE C 26 65.914 12.672 1.830 1.00 0.00 H new ATOM 0 HA ILE C 26 67.094 15.301 1.633 1.00 0.00 H new ATOM 0 HB ILE C 26 67.756 12.657 3.030 1.00 0.00 H new ATOM 0 HG12 ILE C 26 66.901 15.028 4.617 1.00 0.00 H new ATOM 0 HG13 ILE C 26 65.693 14.505 3.460 1.00 0.00 H new ATOM 0 HG21 ILE C 26 69.223 13.974 4.545 1.00 0.00 H new ATOM 0 HG22 ILE C 26 69.810 14.035 2.866 1.00 0.00 H new ATOM 0 HG23 ILE C 26 68.937 15.425 3.554 1.00 0.00 H new ATOM 0 HD11 ILE C 26 65.414 13.311 5.618 1.00 0.00 H new ATOM 0 HD12 ILE C 26 65.855 12.169 4.326 1.00 0.00 H new ATOM 0 HD13 ILE C 26 67.082 12.701 5.500 1.00 0.00 H new ATOM 418 N PHE C 27 68.880 12.917 0.240 1.00 0.00 N ATOM 419 CA PHE C 27 70.067 12.763 -0.677 1.00 0.00 C ATOM 420 C PHE C 27 69.637 12.752 -2.154 1.00 0.00 C ATOM 421 O PHE C 27 70.471 12.724 -3.036 1.00 0.00 O ATOM 422 CB PHE C 27 70.798 11.441 -0.322 1.00 0.00 C ATOM 423 CG PHE C 27 70.158 10.710 0.841 1.00 0.00 C ATOM 424 CD1 PHE C 27 70.252 11.233 2.137 1.00 0.00 C ATOM 425 CD2 PHE C 27 69.493 9.499 0.624 1.00 0.00 C ATOM 426 CE1 PHE C 27 69.673 10.549 3.213 1.00 0.00 C ATOM 427 CE2 PHE C 27 68.917 8.814 1.699 1.00 0.00 C ATOM 428 CZ PHE C 27 69.008 9.338 2.994 1.00 0.00 C ATOM 0 H PHE C 27 68.369 12.058 0.444 1.00 0.00 H new ATOM 0 HA PHE C 27 70.736 13.613 -0.539 1.00 0.00 H new ATOM 0 HB2 PHE C 27 70.805 10.789 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE C 27 71.838 11.660 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE C 27 70.771 12.165 2.307 1.00 0.00 H new ATOM 0 HD2 PHE C 27 69.424 9.092 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE C 27 69.740 10.956 4.211 1.00 0.00 H new ATOM 0 HE2 PHE C 27 68.402 7.880 1.530 1.00 0.00 H new ATOM 0 HZ PHE C 27 68.565 8.807 3.824 1.00 0.00 H new ATOM 438 N VAL C 28 68.358 12.789 -2.436 1.00 0.00 N ATOM 439 CA VAL C 28 67.906 12.798 -3.861 1.00 0.00 C ATOM 440 C VAL C 28 67.596 14.238 -4.308 1.00 0.00 C ATOM 441 O VAL C 28 67.888 14.620 -5.427 1.00 0.00 O ATOM 442 CB VAL C 28 66.654 11.915 -3.890 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.820 12.219 -5.138 1.00 0.00 C ATOM 444 CG2 VAL C 28 67.081 10.447 -3.917 1.00 0.00 C ATOM 0 H VAL C 28 67.610 12.813 -1.743 1.00 0.00 H new ATOM 0 HA VAL C 28 68.667 12.423 -4.545 1.00 0.00 H new ATOM 0 HB VAL C 28 66.053 12.117 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL C 28 64.933 11.585 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL C 28 65.517 13.266 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL C 28 66.415 12.023 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.196 9.811 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL C 28 67.683 10.260 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL C 28 67.668 10.222 -3.027 1.00 0.00 H new ATOM 454 N GLN C 29 67.015 15.040 -3.440 1.00 0.00 N ATOM 455 CA GLN C 29 66.692 16.462 -3.807 1.00 0.00 C ATOM 456 C GLN C 29 67.956 17.196 -4.276 1.00 0.00 C ATOM 457 O GLN C 29 67.947 17.883 -5.282 1.00 0.00 O ATOM 458 CB GLN C 29 66.164 17.100 -2.517 1.00 0.00 C ATOM 459 CG GLN C 29 64.715 16.666 -2.269 1.00 0.00 C ATOM 460 CD GLN C 29 63.767 17.525 -3.110 1.00 0.00 C ATOM 461 OE1 GLN C 29 63.693 18.724 -2.929 1.00 0.00 O ATOM 462 NE2 GLN C 29 63.030 16.960 -4.024 1.00 0.00 N ATOM 0 H GLN C 29 66.750 14.771 -2.492 1.00 0.00 H new ATOM 0 HA GLN C 29 65.968 16.516 -4.620 1.00 0.00 H new ATOM 0 HB2 GLN C 29 66.789 16.805 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN C 29 66.219 18.186 -2.590 1.00 0.00 H new ATOM 0 HG2 GLN C 29 64.592 15.614 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN C 29 64.471 16.767 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN C 29 63.091 15.953 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN C 29 62.393 17.524 -4.586 1.00 0.00 H new ATOM 471 N GLY C 30 69.044 17.050 -3.554 1.00 0.00 N ATOM 472 CA GLY C 30 70.315 17.729 -3.952 1.00 0.00 C ATOM 473 C GLY C 30 71.159 16.783 -4.813 1.00 0.00 C ATOM 474 O GLY C 30 72.351 16.648 -4.610 1.00 0.00 O ATOM 0 H GLY C 30 69.104 16.488 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.093 18.641 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.874 18.024 -3.064 1.00 0.00 H new ATOM 478 N ALA C 31 70.552 16.126 -5.774 1.00 0.00 N ATOM 479 CA ALA C 31 71.320 15.187 -6.650 1.00 0.00 C ATOM 480 C ALA C 31 70.654 15.078 -8.029 1.00 0.00 C ATOM 481 O ALA C 31 69.495 14.723 -8.145 1.00 0.00 O ATOM 482 CB ALA C 31 71.281 13.841 -5.920 1.00 0.00 C ATOM 0 H ALA C 31 69.558 16.200 -5.988 1.00 0.00 H new ATOM 0 HA ALA C 31 72.342 15.526 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.825 13.096 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA C 31 71.745 13.946 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA C 31 70.246 13.522 -5.800 1.00 0.00 H new ATOM 488 N GLU C 32 71.382 15.381 -9.075 1.00 0.00 N ATOM 489 CA GLU C 32 70.798 15.300 -10.455 1.00 0.00 C ATOM 490 C GLU C 32 70.471 13.844 -10.822 1.00 0.00 C ATOM 491 O GLU C 32 69.452 13.566 -11.424 1.00 0.00 O ATOM 492 CB GLU C 32 71.882 15.852 -11.387 1.00 0.00 C ATOM 493 CG GLU C 32 72.058 17.357 -11.158 1.00 0.00 C ATOM 494 CD GLU C 32 71.040 18.131 -11.996 1.00 0.00 C ATOM 495 OE1 GLU C 32 69.921 18.285 -11.540 1.00 0.00 O1- ATOM 496 OE2 GLU C 32 71.397 18.558 -13.080 1.00 0.00 O ATOM 0 H GLU C 32 72.356 15.681 -9.036 1.00 0.00 H new ATOM 0 HA GLU C 32 69.867 15.862 -10.531 1.00 0.00 H new ATOM 0 HB2 GLU C 32 72.825 15.336 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.610 15.664 -12.426 1.00 0.00 H new ATOM 0 HG2 GLU C 32 71.926 17.591 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU C 32 73.070 17.659 -11.428 1.00 0.00 H new ATOM 503 N ASP C 33 71.328 12.919 -10.461 1.00 0.00 N ATOM 504 CA ASP C 33 71.074 11.479 -10.784 1.00 0.00 C ATOM 505 C ASP C 33 70.000 10.893 -9.851 1.00 0.00 C ATOM 506 O ASP C 33 69.279 9.984 -10.222 1.00 0.00 O ATOM 507 CB ASP C 33 72.426 10.785 -10.569 1.00 0.00 C ATOM 508 CG ASP C 33 73.239 10.842 -11.862 1.00 0.00 C ATOM 509 OD1 ASP C 33 73.871 11.857 -12.097 1.00 0.00 O1- ATOM 510 OD2 ASP C 33 73.213 9.871 -12.598 1.00 0.00 O ATOM 0 H ASP C 33 72.195 13.100 -9.955 1.00 0.00 H new ATOM 0 HA ASP C 33 70.702 11.343 -11.800 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.973 11.272 -9.761 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.271 9.748 -10.269 1.00 0.00 H new ATOM 515 N GLY C 34 69.887 11.406 -8.648 1.00 0.00 N ATOM 516 CA GLY C 34 68.859 10.883 -7.694 1.00 0.00 C ATOM 517 C GLY C 34 69.357 9.590 -7.025 1.00 0.00 C ATOM 518 O GLY C 34 68.578 8.818 -6.499 1.00 0.00 O ATOM 0 H GLY C 34 70.464 12.165 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.644 11.634 -6.934 1.00 0.00 H new ATOM 0 HA3 GLY C 34 67.926 10.690 -8.224 1.00 0.00 H new ATOM 522 N SER C 35 70.648 9.353 -7.037 1.00 0.00 N ATOM 523 CA SER C 35 71.206 8.120 -6.399 1.00 0.00 C ATOM 524 C SER C 35 72.300 8.497 -5.388 1.00 0.00 C ATOM 525 O SER C 35 72.689 9.645 -5.283 1.00 0.00 O ATOM 526 CB SER C 35 71.798 7.303 -7.553 1.00 0.00 C ATOM 527 OG SER C 35 72.762 8.088 -8.246 1.00 0.00 O ATOM 0 H SER C 35 71.342 9.966 -7.465 1.00 0.00 H new ATOM 0 HA SER C 35 70.447 7.559 -5.854 1.00 0.00 H new ATOM 0 HB2 SER C 35 72.262 6.394 -7.169 1.00 0.00 H new ATOM 0 HB3 SER C 35 71.007 6.993 -8.236 1.00 0.00 H new ATOM 0 HG SER C 35 72.790 7.816 -9.187 1.00 0.00 H new ATOM 533 N ILE C 36 72.801 7.540 -4.646 1.00 0.00 N ATOM 534 CA ILE C 36 73.873 7.846 -3.644 1.00 0.00 C ATOM 535 C ILE C 36 75.117 7.001 -3.930 1.00 0.00 C ATOM 536 O ILE C 36 75.024 5.868 -4.361 1.00 0.00 O ATOM 537 CB ILE C 36 73.285 7.474 -2.280 1.00 0.00 C ATOM 538 CG1 ILE C 36 72.042 8.328 -2.001 1.00 0.00 C ATOM 539 CG2 ILE C 36 74.327 7.731 -1.187 1.00 0.00 C ATOM 540 CD1 ILE C 36 70.922 7.433 -1.472 1.00 0.00 C ATOM 0 H ILE C 36 72.516 6.562 -4.689 1.00 0.00 H new ATOM 0 HA ILE C 36 74.173 8.893 -3.681 1.00 0.00 H new ATOM 0 HB ILE C 36 73.008 6.420 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE C 36 72.276 9.105 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE C 36 71.721 8.832 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE C 36 73.909 7.466 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE C 36 75.212 7.124 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE C 36 74.603 8.786 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE C 36 70.037 8.037 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE C 36 70.682 6.672 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE C 36 71.247 6.950 -0.550 1.00 0.00 H new ATOM 552 N SER C 37 76.282 7.542 -3.685 1.00 0.00 N ATOM 553 CA SER C 37 77.537 6.765 -3.933 1.00 0.00 C ATOM 554 C SER C 37 77.853 5.875 -2.724 1.00 0.00 C ATOM 555 O SER C 37 77.215 5.969 -1.693 1.00 0.00 O ATOM 556 CB SER C 37 78.628 7.817 -4.129 1.00 0.00 C ATOM 557 OG SER C 37 79.585 7.332 -5.062 1.00 0.00 O ATOM 0 H SER C 37 76.421 8.486 -3.325 1.00 0.00 H new ATOM 0 HA SER C 37 77.452 6.107 -4.798 1.00 0.00 H new ATOM 0 HB2 SER C 37 78.191 8.748 -4.489 1.00 0.00 H new ATOM 0 HB3 SER C 37 79.111 8.039 -3.177 1.00 0.00 H new ATOM 0 HG SER C 37 80.286 8.005 -5.192 1.00 0.00 H new ATOM 563 N THR C 38 78.829 5.011 -2.841 1.00 0.00 N ATOM 564 CA THR C 38 79.179 4.109 -1.691 1.00 0.00 C ATOM 565 C THR C 38 79.712 4.915 -0.489 1.00 0.00 C ATOM 566 O THR C 38 79.582 4.497 0.647 1.00 0.00 O ATOM 567 CB THR C 38 80.259 3.154 -2.222 1.00 0.00 C ATOM 568 OG1 THR C 38 81.390 3.900 -2.650 1.00 0.00 O ATOM 569 CG2 THR C 38 79.705 2.343 -3.397 1.00 0.00 C ATOM 0 H THR C 38 79.399 4.888 -3.678 1.00 0.00 H new ATOM 0 HA THR C 38 78.301 3.570 -1.334 1.00 0.00 H new ATOM 0 HB THR C 38 80.556 2.473 -1.424 1.00 0.00 H new ATOM 0 HG1 THR C 38 82.077 3.288 -2.986 1.00 0.00 H new ATOM 0 HG21 THR C 38 80.476 1.668 -3.769 1.00 0.00 H new ATOM 0 HG22 THR C 38 78.844 1.763 -3.065 1.00 0.00 H new ATOM 0 HG23 THR C 38 79.400 3.020 -4.195 1.00 0.00 H new ATOM 577 N LYS C 39 80.314 6.061 -0.729 1.00 0.00 N ATOM 578 CA LYS C 39 80.859 6.887 0.405 1.00 0.00 C ATOM 579 C LYS C 39 79.741 7.647 1.144 1.00 0.00 C ATOM 580 O LYS C 39 79.865 7.944 2.320 1.00 0.00 O ATOM 581 CB LYS C 39 81.830 7.881 -0.247 1.00 0.00 C ATOM 582 CG LYS C 39 83.152 7.893 0.528 1.00 0.00 C ATOM 583 CD LYS C 39 82.949 8.612 1.867 1.00 0.00 C ATOM 584 CE LYS C 39 83.156 7.635 3.030 1.00 0.00 C ATOM 585 NZ LYS C 39 83.840 8.439 4.084 1.00 0.00 N1+ ATOM 0 H LYS C 39 80.452 6.460 -1.658 1.00 0.00 H new ATOM 0 HA LYS C 39 81.344 6.256 1.150 1.00 0.00 H new ATOM 0 HB2 LYS C 39 82.008 7.602 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.393 8.879 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS C 39 83.496 6.873 0.699 1.00 0.00 H new ATOM 0 HG3 LYS C 39 83.924 8.396 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS C 39 83.649 9.443 1.952 1.00 0.00 H new ATOM 0 HD3 LYS C 39 81.945 9.035 1.912 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.206 7.239 3.388 1.00 0.00 H new ATOM 0 HE3 LYS C 39 83.763 6.782 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 84.018 7.841 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 84.744 8.797 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 83.236 9.240 4.356 1.00 0.00 H new ATOM 599 N GLU C 40 78.659 7.969 0.475 1.00 0.00 N ATOM 600 CA GLU C 40 77.552 8.717 1.157 1.00 0.00 C ATOM 601 C GLU C 40 76.490 7.750 1.699 1.00 0.00 C ATOM 602 O GLU C 40 75.843 8.029 2.692 1.00 0.00 O ATOM 603 CB GLU C 40 76.939 9.619 0.078 1.00 0.00 C ATOM 604 CG GLU C 40 77.974 10.641 -0.408 1.00 0.00 C ATOM 605 CD GLU C 40 78.408 10.296 -1.833 1.00 0.00 C ATOM 606 OE1 GLU C 40 77.588 10.423 -2.729 1.00 0.00 O ATOM 607 OE2 GLU C 40 79.552 9.913 -2.003 1.00 0.00 O1- ATOM 0 H GLU C 40 78.494 7.749 -0.507 1.00 0.00 H new ATOM 0 HA GLU C 40 77.925 9.288 2.007 1.00 0.00 H new ATOM 0 HB2 GLU C 40 76.594 9.013 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU C 40 76.067 10.136 0.478 1.00 0.00 H new ATOM 0 HG2 GLU C 40 77.550 11.645 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.839 10.642 0.256 1.00 0.00 H new ATOM 614 N LEU C 41 76.293 6.624 1.051 1.00 0.00 N ATOM 615 CA LEU C 41 75.261 5.651 1.526 1.00 0.00 C ATOM 616 C LEU C 41 75.595 5.113 2.928 1.00 0.00 C ATOM 617 O LEU C 41 74.718 4.675 3.647 1.00 0.00 O ATOM 618 CB LEU C 41 75.253 4.522 0.497 1.00 0.00 C ATOM 619 CG LEU C 41 73.865 3.872 0.484 1.00 0.00 C ATOM 620 CD1 LEU C 41 73.245 3.973 -0.912 1.00 0.00 C ATOM 621 CD2 LEU C 41 73.985 2.400 0.888 1.00 0.00 C ATOM 0 H LEU C 41 76.803 6.339 0.215 1.00 0.00 H new ATOM 0 HA LEU C 41 74.284 6.126 1.612 1.00 0.00 H new ATOM 0 HB2 LEU C 41 75.496 4.911 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU C 41 76.014 3.781 0.744 1.00 0.00 H new ATOM 0 HG LEU C 41 73.223 4.395 1.193 1.00 0.00 H new ATOM 0 HD11 LEU C 41 72.259 3.507 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU C 41 73.149 5.022 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU C 41 73.884 3.462 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU C 41 72.998 1.938 0.879 1.00 0.00 H new ATOM 0 HD22 LEU C 41 74.635 1.881 0.183 1.00 0.00 H new ATOM 0 HD23 LEU C 41 74.408 2.331 1.890 1.00 0.00 H new ATOM 633 N GLY C 42 76.847 5.148 3.331 1.00 0.00 N ATOM 634 CA GLY C 42 77.210 4.650 4.694 1.00 0.00 C ATOM 635 C GLY C 42 76.401 5.432 5.733 1.00 0.00 C ATOM 636 O GLY C 42 75.830 4.861 6.644 1.00 0.00 O ATOM 0 H GLY C 42 77.627 5.499 2.775 1.00 0.00 H new ATOM 0 HA2 GLY C 42 76.999 3.584 4.775 1.00 0.00 H new ATOM 0 HA3 GLY C 42 78.278 4.778 4.871 1.00 0.00 H new ATOM 640 N LYS C 43 76.330 6.736 5.587 1.00 0.00 N ATOM 641 CA LYS C 43 75.533 7.560 6.548 1.00 0.00 C ATOM 642 C LYS C 43 74.043 7.215 6.393 1.00 0.00 C ATOM 643 O LYS C 43 73.332 7.068 7.368 1.00 0.00 O ATOM 644 CB LYS C 43 75.811 9.017 6.159 1.00 0.00 C ATOM 645 CG LYS C 43 74.976 9.957 7.031 1.00 0.00 C ATOM 646 CD LYS C 43 73.935 10.663 6.161 1.00 0.00 C ATOM 647 CE LYS C 43 73.340 11.843 6.929 1.00 0.00 C ATOM 648 NZ LYS C 43 72.441 12.520 5.951 1.00 0.00 N1+ ATOM 0 H LYS C 43 76.790 7.262 4.844 1.00 0.00 H new ATOM 0 HA LYS C 43 75.799 7.377 7.589 1.00 0.00 H new ATOM 0 HB2 LYS C 43 76.871 9.239 6.281 1.00 0.00 H new ATOM 0 HB3 LYS C 43 75.572 9.174 5.107 1.00 0.00 H new ATOM 0 HG2 LYS C 43 74.483 9.394 7.824 1.00 0.00 H new ATOM 0 HG3 LYS C 43 75.620 10.691 7.515 1.00 0.00 H new ATOM 0 HD2 LYS C 43 74.395 11.013 5.237 1.00 0.00 H new ATOM 0 HD3 LYS C 43 73.147 9.964 5.880 1.00 0.00 H new ATOM 0 HE2 LYS C 43 72.788 11.506 7.806 1.00 0.00 H new ATOM 0 HE3 LYS C 43 74.119 12.518 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 71.993 13.343 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 72.996 12.835 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 71.706 11.855 5.637 1.00 0.00 H new ATOM 662 N VAL C 44 73.577 7.061 5.170 1.00 0.00 N ATOM 663 CA VAL C 44 72.138 6.695 4.944 1.00 0.00 C ATOM 664 C VAL C 44 71.804 5.418 5.721 1.00 0.00 C ATOM 665 O VAL C 44 70.811 5.348 6.422 1.00 0.00 O ATOM 666 CB VAL C 44 72.008 6.447 3.432 1.00 0.00 C ATOM 667 CG1 VAL C 44 70.663 5.770 3.129 1.00 0.00 C ATOM 668 CG2 VAL C 44 72.086 7.781 2.686 1.00 0.00 C ATOM 0 H VAL C 44 74.131 7.173 4.321 1.00 0.00 H new ATOM 0 HA VAL C 44 71.457 7.476 5.282 1.00 0.00 H new ATOM 0 HB VAL C 44 72.820 5.798 3.105 1.00 0.00 H new ATOM 0 HG11 VAL C 44 70.576 5.597 2.056 1.00 0.00 H new ATOM 0 HG12 VAL C 44 70.608 4.817 3.656 1.00 0.00 H new ATOM 0 HG13 VAL C 44 69.849 6.415 3.459 1.00 0.00 H new ATOM 0 HG21 VAL C 44 71.994 7.605 1.614 1.00 0.00 H new ATOM 0 HG22 VAL C 44 71.276 8.431 3.018 1.00 0.00 H new ATOM 0 HG23 VAL C 44 73.043 8.259 2.894 1.00 0.00 H new ATOM 678 N MET C 45 72.634 4.409 5.605 1.00 0.00 N ATOM 679 CA MET C 45 72.379 3.135 6.340 1.00 0.00 C ATOM 680 C MET C 45 72.466 3.381 7.851 1.00 0.00 C ATOM 681 O MET C 45 71.612 2.957 8.603 1.00 0.00 O ATOM 682 CB MET C 45 73.473 2.164 5.873 1.00 0.00 C ATOM 683 CG MET C 45 73.364 1.938 4.364 1.00 0.00 C ATOM 684 SD MET C 45 73.020 0.196 4.052 1.00 0.00 S ATOM 685 CE MET C 45 71.245 0.291 4.369 1.00 0.00 C ATOM 0 H MET C 45 73.478 4.415 5.032 1.00 0.00 H new ATOM 0 HA MET C 45 71.386 2.732 6.140 1.00 0.00 H new ATOM 0 HB2 MET C 45 74.456 2.566 6.119 1.00 0.00 H new ATOM 0 HB3 MET C 45 73.376 1.214 6.399 1.00 0.00 H new ATOM 0 HG2 MET C 45 72.571 2.559 3.947 1.00 0.00 H new ATOM 0 HG3 MET C 45 74.291 2.232 3.872 1.00 0.00 H new ATOM 0 HE1 MET C 45 70.919 -0.611 4.888 1.00 0.00 H new ATOM 0 HE2 MET C 45 71.032 1.163 4.988 1.00 0.00 H new ATOM 0 HE3 MET C 45 70.711 0.379 3.423 1.00 0.00 H new ATOM 695 N ARG C 46 73.483 4.078 8.299 1.00 0.00 N ATOM 696 CA ARG C 46 73.616 4.365 9.766 1.00 0.00 C ATOM 697 C ARG C 46 72.365 5.085 10.296 1.00 0.00 C ATOM 698 O ARG C 46 71.973 4.911 11.433 1.00 0.00 O ATOM 699 CB ARG C 46 74.843 5.270 9.892 1.00 0.00 C ATOM 700 CG ARG C 46 76.101 4.410 10.032 1.00 0.00 C ATOM 701 CD ARG C 46 77.110 5.118 10.941 1.00 0.00 C ATOM 702 NE ARG C 46 76.539 4.998 12.314 1.00 0.00 N ATOM 703 CZ ARG C 46 76.682 3.890 12.984 1.00 0.00 C ATOM 704 NH1 ARG C 46 77.874 3.473 13.304 1.00 0.00 N ATOM 705 NH2 ARG C 46 75.633 3.205 13.340 1.00 0.00 N1+ ATOM 0 H ARG C 46 74.226 4.461 7.715 1.00 0.00 H new ATOM 0 HA ARG C 46 73.722 3.449 10.347 1.00 0.00 H new ATOM 0 HB2 ARG C 46 74.925 5.913 9.016 1.00 0.00 H new ATOM 0 HB3 ARG C 46 74.738 5.924 10.758 1.00 0.00 H new ATOM 0 HG2 ARG C 46 75.843 3.436 10.448 1.00 0.00 H new ATOM 0 HG3 ARG C 46 76.543 4.232 9.052 1.00 0.00 H new ATOM 0 HD2 ARG C 46 78.093 4.651 10.880 1.00 0.00 H new ATOM 0 HD3 ARG C 46 77.235 6.162 10.655 1.00 0.00 H new ATOM 0 HE ARG C 46 76.037 5.783 12.728 1.00 0.00 H new ATOM 0 HH11 ARG C 46 78.694 4.014 13.030 1.00 0.00 H new ATOM 0 HH12 ARG C 46 77.987 2.606 13.829 1.00 0.00 H new ATOM 0 HH21 ARG C 46 74.700 3.536 13.094 1.00 0.00 H new ATOM 0 HH22 ARG C 46 75.744 2.337 13.865 1.00 0.00 H new ATOM 719 N MET C 47 71.741 5.885 9.471 1.00 0.00 N ATOM 720 CA MET C 47 70.510 6.621 9.898 1.00 0.00 C ATOM 721 C MET C 47 69.293 5.679 9.896 1.00 0.00 C ATOM 722 O MET C 47 68.355 5.874 10.640 1.00 0.00 O ATOM 723 CB MET C 47 70.347 7.720 8.843 1.00 0.00 C ATOM 724 CG MET C 47 69.296 8.739 9.292 1.00 0.00 C ATOM 725 SD MET C 47 69.534 10.288 8.381 1.00 0.00 S ATOM 726 CE MET C 47 68.827 9.740 6.808 1.00 0.00 C ATOM 0 H MET C 47 72.033 6.063 8.510 1.00 0.00 H new ATOM 0 HA MET C 47 70.587 7.022 10.909 1.00 0.00 H new ATOM 0 HB2 MET C 47 71.301 8.220 8.679 1.00 0.00 H new ATOM 0 HB3 MET C 47 70.051 7.278 7.891 1.00 0.00 H new ATOM 0 HG2 MET C 47 68.294 8.348 9.112 1.00 0.00 H new ATOM 0 HG3 MET C 47 69.381 8.918 10.364 1.00 0.00 H new ATOM 0 HE1 MET C 47 69.587 9.797 6.028 1.00 0.00 H new ATOM 0 HE2 MET C 47 68.481 8.711 6.903 1.00 0.00 H new ATOM 0 HE3 MET C 47 67.987 10.382 6.543 1.00 0.00 H new ATOM 736 N LEU C 48 69.304 4.663 9.066 1.00 0.00 N ATOM 737 CA LEU C 48 68.142 3.714 9.017 1.00 0.00 C ATOM 738 C LEU C 48 68.383 2.489 9.918 1.00 0.00 C ATOM 739 O LEU C 48 67.794 1.442 9.721 1.00 0.00 O ATOM 740 CB LEU C 48 68.043 3.289 7.550 1.00 0.00 C ATOM 741 CG LEU C 48 67.040 4.188 6.817 1.00 0.00 C ATOM 742 CD1 LEU C 48 67.793 5.159 5.908 1.00 0.00 C ATOM 743 CD2 LEU C 48 66.106 3.326 5.964 1.00 0.00 C ATOM 0 H LEU C 48 70.065 4.449 8.421 1.00 0.00 H new ATOM 0 HA LEU C 48 67.225 4.181 9.378 1.00 0.00 H new ATOM 0 HB2 LEU C 48 69.022 3.357 7.075 1.00 0.00 H new ATOM 0 HB3 LEU C 48 67.728 2.248 7.484 1.00 0.00 H new ATOM 0 HG LEU C 48 66.457 4.747 7.549 1.00 0.00 H new ATOM 0 HD11 LEU C 48 67.079 5.798 5.387 1.00 0.00 H new ATOM 0 HD12 LEU C 48 68.461 5.776 6.509 1.00 0.00 H new ATOM 0 HD13 LEU C 48 68.376 4.597 5.179 1.00 0.00 H new ATOM 0 HD21 LEU C 48 65.394 3.966 5.444 1.00 0.00 H new ATOM 0 HD22 LEU C 48 66.692 2.767 5.234 1.00 0.00 H new ATOM 0 HD23 LEU C 48 65.566 2.630 6.606 1.00 0.00 H new ATOM 755 N GLY C 49 69.228 2.614 10.912 1.00 0.00 N ATOM 756 CA GLY C 49 69.490 1.465 11.831 1.00 0.00 C ATOM 757 C GLY C 49 70.448 0.454 11.183 1.00 0.00 C ATOM 758 O GLY C 49 70.318 -0.736 11.390 1.00 0.00 O ATOM 0 H GLY C 49 69.748 3.465 11.126 1.00 0.00 H new ATOM 0 HA2 GLY C 49 69.917 1.831 12.765 1.00 0.00 H new ATOM 0 HA3 GLY C 49 68.550 0.973 12.082 1.00 0.00 H new ATOM 762 N GLN C 50 71.414 0.906 10.418 1.00 0.00 N ATOM 763 CA GLN C 50 72.377 -0.057 9.784 1.00 0.00 C ATOM 764 C GLN C 50 73.810 0.297 10.202 1.00 0.00 C ATOM 765 O GLN C 50 74.063 1.359 10.736 1.00 0.00 O ATOM 766 CB GLN C 50 72.230 0.093 8.259 1.00 0.00 C ATOM 767 CG GLN C 50 70.771 0.353 7.855 1.00 0.00 C ATOM 768 CD GLN C 50 69.999 -0.970 7.780 1.00 0.00 C ATOM 769 OE1 GLN C 50 70.403 -1.888 7.091 1.00 0.00 O ATOM 770 NE2 GLN C 50 68.892 -1.104 8.456 1.00 0.00 N ATOM 0 H GLN C 50 71.578 1.890 10.205 1.00 0.00 H new ATOM 0 HA GLN C 50 72.168 -1.080 10.097 1.00 0.00 H new ATOM 0 HB2 GLN C 50 72.856 0.915 7.911 1.00 0.00 H new ATOM 0 HB3 GLN C 50 72.589 -0.811 7.767 1.00 0.00 H new ATOM 0 HG2 GLN C 50 70.299 1.018 8.578 1.00 0.00 H new ATOM 0 HG3 GLN C 50 70.738 0.857 6.889 1.00 0.00 H new ATOM 0 HE21 GLN C 50 68.551 -0.336 9.034 1.00 0.00 H new ATOM 0 HE22 GLN C 50 68.367 -1.977 8.407 1.00 0.00 H new ATOM 779 N ASN C 51 74.754 -0.580 9.966 1.00 0.00 N ATOM 780 CA ASN C 51 76.162 -0.270 10.361 1.00 0.00 C ATOM 781 C ASN C 51 77.185 -0.881 9.379 1.00 0.00 C ATOM 782 O ASN C 51 78.159 -1.479 9.800 1.00 0.00 O ATOM 783 CB ASN C 51 76.299 -0.884 11.759 1.00 0.00 C ATOM 784 CG ASN C 51 77.311 -0.086 12.580 1.00 0.00 C ATOM 785 OD1 ASN C 51 76.940 0.681 13.443 1.00 0.00 O ATOM 786 ND2 ASN C 51 78.583 -0.234 12.346 1.00 0.00 N ATOM 0 H ASN C 51 74.613 -1.487 9.522 1.00 0.00 H new ATOM 0 HA ASN C 51 76.365 0.801 10.349 1.00 0.00 H new ATOM 0 HB2 ASN C 51 75.331 -0.887 12.261 1.00 0.00 H new ATOM 0 HB3 ASN C 51 76.620 -1.923 11.680 1.00 0.00 H new ATOM 0 HD21 ASN C 51 79.266 0.295 12.888 1.00 0.00 H new ATOM 0 HD22 ASN C 51 78.896 -0.879 11.620 1.00 0.00 H new ATOM 793 N PRO C 52 76.945 -0.693 8.100 1.00 0.00 N ATOM 794 CA PRO C 52 77.880 -1.215 7.068 1.00 0.00 C ATOM 795 C PRO C 52 79.085 -0.273 6.902 1.00 0.00 C ATOM 796 O PRO C 52 78.931 0.934 6.866 1.00 0.00 O ATOM 797 CB PRO C 52 77.037 -1.213 5.799 1.00 0.00 C ATOM 798 CG PRO C 52 75.996 -0.152 6.015 1.00 0.00 C ATOM 799 CD PRO C 52 75.800 0.009 7.496 1.00 0.00 C ATOM 0 HA PRO C 52 78.285 -2.195 7.319 1.00 0.00 H new ATOM 0 HB2 PRO C 52 77.647 -0.993 4.923 1.00 0.00 H new ATOM 0 HB3 PRO C 52 76.577 -2.187 5.631 1.00 0.00 H new ATOM 0 HG2 PRO C 52 76.313 0.790 5.568 1.00 0.00 H new ATOM 0 HG3 PRO C 52 75.059 -0.434 5.535 1.00 0.00 H new ATOM 0 HD2 PRO C 52 75.784 1.061 7.782 1.00 0.00 H new ATOM 0 HD3 PRO C 52 74.854 -0.424 7.820 1.00 0.00 H new ATOM 807 N THR C 53 80.276 -0.805 6.778 1.00 0.00 N ATOM 808 CA THR C 53 81.474 0.077 6.590 1.00 0.00 C ATOM 809 C THR C 53 81.597 0.463 5.108 1.00 0.00 C ATOM 810 O THR C 53 80.992 -0.157 4.258 1.00 0.00 O ATOM 811 CB THR C 53 82.681 -0.759 7.033 1.00 0.00 C ATOM 812 OG1 THR C 53 82.627 -2.037 6.408 1.00 0.00 O ATOM 813 CG2 THR C 53 82.667 -0.933 8.555 1.00 0.00 C ATOM 0 H THR C 53 80.472 -1.806 6.798 1.00 0.00 H new ATOM 0 HA THR C 53 81.403 1.000 7.166 1.00 0.00 H new ATOM 0 HB THR C 53 83.598 -0.247 6.741 1.00 0.00 H new ATOM 0 HG1 THR C 53 83.354 -2.599 6.748 1.00 0.00 H new ATOM 0 HG21 THR C 53 83.528 -1.528 8.861 1.00 0.00 H new ATOM 0 HG22 THR C 53 82.713 0.045 9.033 1.00 0.00 H new ATOM 0 HG23 THR C 53 81.750 -1.440 8.855 1.00 0.00 H new ATOM 821 N PRO C 54 82.369 1.483 4.847 1.00 0.00 N ATOM 822 CA PRO C 54 82.559 1.963 3.448 1.00 0.00 C ATOM 823 C PRO C 54 83.273 0.923 2.565 1.00 0.00 C ATOM 824 O PRO C 54 83.005 0.829 1.383 1.00 0.00 O ATOM 825 CB PRO C 54 83.393 3.232 3.620 1.00 0.00 C ATOM 826 CG PRO C 54 84.081 3.061 4.936 1.00 0.00 C ATOM 827 CD PRO C 54 83.143 2.271 5.808 1.00 0.00 C ATOM 0 HA PRO C 54 81.613 2.142 2.936 1.00 0.00 H new ATOM 0 HB2 PRO C 54 84.113 3.345 2.809 1.00 0.00 H new ATOM 0 HB3 PRO C 54 82.764 4.122 3.615 1.00 0.00 H new ATOM 0 HG2 PRO C 54 85.030 2.538 4.813 1.00 0.00 H new ATOM 0 HG3 PRO C 54 84.306 4.028 5.385 1.00 0.00 H new ATOM 0 HD2 PRO C 54 83.685 1.633 6.507 1.00 0.00 H new ATOM 0 HD3 PRO C 54 82.502 2.922 6.402 1.00 0.00 H new ATOM 835 N GLU C 55 84.169 0.144 3.118 1.00 0.00 N ATOM 836 CA GLU C 55 84.883 -0.888 2.292 1.00 0.00 C ATOM 837 C GLU C 55 83.973 -2.090 1.987 1.00 0.00 C ATOM 838 O GLU C 55 84.127 -2.745 0.972 1.00 0.00 O ATOM 839 CB GLU C 55 86.103 -1.320 3.129 1.00 0.00 C ATOM 840 CG GLU C 55 85.658 -1.876 4.492 1.00 0.00 C ATOM 841 CD GLU C 55 86.139 -0.953 5.615 1.00 0.00 C ATOM 842 OE1 GLU C 55 85.600 0.135 5.731 1.00 0.00 O1- ATOM 843 OE2 GLU C 55 87.034 -1.351 6.338 1.00 0.00 O ATOM 0 H GLU C 55 84.439 0.175 4.101 1.00 0.00 H new ATOM 0 HA GLU C 55 85.181 -0.483 1.325 1.00 0.00 H new ATOM 0 HB2 GLU C 55 86.671 -2.078 2.589 1.00 0.00 H new ATOM 0 HB3 GLU C 55 86.768 -0.469 3.277 1.00 0.00 H new ATOM 0 HG2 GLU C 55 84.572 -1.963 4.522 1.00 0.00 H new ATOM 0 HG3 GLU C 55 86.062 -2.878 4.635 1.00 0.00 H new ATOM 850 N GLU C 56 83.030 -2.386 2.846 1.00 0.00 N ATOM 851 CA GLU C 56 82.123 -3.547 2.596 1.00 0.00 C ATOM 852 C GLU C 56 80.803 -3.077 1.967 1.00 0.00 C ATOM 853 O GLU C 56 80.168 -3.805 1.224 1.00 0.00 O ATOM 854 CB GLU C 56 81.898 -4.167 3.977 1.00 0.00 C ATOM 855 CG GLU C 56 83.103 -5.048 4.337 1.00 0.00 C ATOM 856 CD GLU C 56 83.202 -5.199 5.856 1.00 0.00 C ATOM 857 OE1 GLU C 56 82.510 -6.045 6.393 1.00 0.00 O ATOM 858 OE2 GLU C 56 83.978 -4.473 6.455 1.00 0.00 O1- ATOM 0 H GLU C 56 82.849 -1.874 3.709 1.00 0.00 H new ATOM 0 HA GLU C 56 82.547 -4.266 1.895 1.00 0.00 H new ATOM 0 HB2 GLU C 56 81.769 -3.384 4.724 1.00 0.00 H new ATOM 0 HB3 GLU C 56 80.984 -4.762 3.978 1.00 0.00 H new ATOM 0 HG2 GLU C 56 83.000 -6.028 3.871 1.00 0.00 H new ATOM 0 HG3 GLU C 56 84.019 -4.604 3.946 1.00 0.00 H new ATOM 865 N LEU C 57 80.399 -1.862 2.243 1.00 0.00 N ATOM 866 CA LEU C 57 79.132 -1.332 1.649 1.00 0.00 C ATOM 867 C LEU C 57 79.232 -1.315 0.117 1.00 0.00 C ATOM 868 O LEU C 57 78.242 -1.471 -0.573 1.00 0.00 O ATOM 869 CB LEU C 57 78.999 0.087 2.200 1.00 0.00 C ATOM 870 CG LEU C 57 77.702 0.724 1.691 1.00 0.00 C ATOM 871 CD1 LEU C 57 76.497 0.099 2.408 1.00 0.00 C ATOM 872 CD2 LEU C 57 77.742 2.229 1.967 1.00 0.00 C ATOM 0 H LEU C 57 80.893 -1.213 2.855 1.00 0.00 H new ATOM 0 HA LEU C 57 78.267 -1.946 1.901 1.00 0.00 H new ATOM 0 HB2 LEU C 57 79.000 0.065 3.290 1.00 0.00 H new ATOM 0 HB3 LEU C 57 79.855 0.688 1.892 1.00 0.00 H new ATOM 0 HG LEU C 57 77.606 0.549 0.619 1.00 0.00 H new ATOM 0 HD11 LEU C 57 75.578 0.556 2.041 1.00 0.00 H new ATOM 0 HD12 LEU C 57 76.472 -0.973 2.211 1.00 0.00 H new ATOM 0 HD13 LEU C 57 76.584 0.269 3.481 1.00 0.00 H new ATOM 0 HD21 LEU C 57 76.822 2.689 1.607 1.00 0.00 H new ATOM 0 HD22 LEU C 57 77.838 2.400 3.039 1.00 0.00 H new ATOM 0 HD23 LEU C 57 78.595 2.671 1.451 1.00 0.00 H new ATOM 884 N GLN C 58 80.423 -1.138 -0.418 1.00 0.00 N ATOM 885 CA GLN C 58 80.589 -1.129 -1.908 1.00 0.00 C ATOM 886 C GLN C 58 79.970 -2.401 -2.503 1.00 0.00 C ATOM 887 O GLN C 58 79.217 -2.344 -3.454 1.00 0.00 O ATOM 888 CB GLN C 58 82.102 -1.101 -2.141 1.00 0.00 C ATOM 889 CG GLN C 58 82.421 -0.339 -3.433 1.00 0.00 C ATOM 890 CD GLN C 58 83.345 -1.185 -4.314 1.00 0.00 C ATOM 891 OE1 GLN C 58 84.538 -1.234 -4.095 1.00 0.00 O ATOM 892 NE2 GLN C 58 82.843 -1.854 -5.311 1.00 0.00 N ATOM 0 H GLN C 58 81.283 -1.000 0.113 1.00 0.00 H new ATOM 0 HA GLN C 58 80.096 -0.279 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN C 58 82.599 -0.625 -1.296 1.00 0.00 H new ATOM 0 HB3 GLN C 58 82.487 -2.119 -2.205 1.00 0.00 H new ATOM 0 HG2 GLN C 58 81.500 -0.110 -3.969 1.00 0.00 H new ATOM 0 HG3 GLN C 58 82.897 0.613 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN C 58 81.841 -1.815 -5.498 1.00 0.00 H new ATOM 0 HE22 GLN C 58 83.451 -2.417 -5.905 1.00 0.00 H new ATOM 901 N GLU C 59 80.267 -3.546 -1.930 1.00 0.00 N ATOM 902 CA GLU C 59 79.676 -4.820 -2.444 1.00 0.00 C ATOM 903 C GLU C 59 78.148 -4.771 -2.296 1.00 0.00 C ATOM 904 O GLU C 59 77.419 -5.108 -3.208 1.00 0.00 O ATOM 905 CB GLU C 59 80.279 -5.931 -1.571 1.00 0.00 C ATOM 906 CG GLU C 59 79.547 -7.253 -1.831 1.00 0.00 C ATOM 907 CD GLU C 59 80.443 -8.431 -1.440 1.00 0.00 C ATOM 908 OE1 GLU C 59 80.684 -8.601 -0.256 1.00 0.00 O1- ATOM 909 OE2 GLU C 59 80.865 -9.148 -2.330 1.00 0.00 O ATOM 0 H GLU C 59 80.892 -3.650 -1.131 1.00 0.00 H new ATOM 0 HA GLU C 59 79.893 -4.988 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU C 59 81.341 -6.043 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU C 59 80.199 -5.662 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU C 59 78.620 -7.284 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU C 59 79.274 -7.326 -2.884 1.00 0.00 H new ATOM 916 N MET C 60 77.663 -4.334 -1.156 1.00 0.00 N ATOM 917 CA MET C 60 76.184 -4.238 -0.943 1.00 0.00 C ATOM 918 C MET C 60 75.557 -3.305 -1.987 1.00 0.00 C ATOM 919 O MET C 60 74.575 -3.644 -2.619 1.00 0.00 O ATOM 920 CB MET C 60 76.024 -3.672 0.469 1.00 0.00 C ATOM 921 CG MET C 60 75.752 -4.826 1.433 1.00 0.00 C ATOM 922 SD MET C 60 74.827 -4.217 2.867 1.00 0.00 S ATOM 923 CE MET C 60 73.431 -3.522 1.953 1.00 0.00 C ATOM 0 H MET C 60 78.231 -4.039 -0.362 1.00 0.00 H new ATOM 0 HA MET C 60 75.684 -5.201 -1.049 1.00 0.00 H new ATOM 0 HB2 MET C 60 76.926 -3.137 0.766 1.00 0.00 H new ATOM 0 HB3 MET C 60 75.204 -2.955 0.498 1.00 0.00 H new ATOM 0 HG2 MET C 60 75.186 -5.609 0.928 1.00 0.00 H new ATOM 0 HG3 MET C 60 76.693 -5.272 1.757 1.00 0.00 H new ATOM 0 HE1 MET C 60 72.589 -3.376 2.630 1.00 0.00 H new ATOM 0 HE2 MET C 60 73.720 -2.564 1.521 1.00 0.00 H new ATOM 0 HE3 MET C 60 73.141 -4.207 1.156 1.00 0.00 H new ATOM 933 N ILE C 61 76.125 -2.139 -2.180 1.00 0.00 N ATOM 934 CA ILE C 61 75.569 -1.187 -3.193 1.00 0.00 C ATOM 935 C ILE C 61 75.776 -1.735 -4.621 1.00 0.00 C ATOM 936 O ILE C 61 74.853 -1.754 -5.412 1.00 0.00 O ATOM 937 CB ILE C 61 76.331 0.132 -2.971 1.00 0.00 C ATOM 938 CG1 ILE C 61 75.615 0.940 -1.878 1.00 0.00 C ATOM 939 CG2 ILE C 61 76.361 0.947 -4.271 1.00 0.00 C ATOM 940 CD1 ILE C 61 76.426 2.188 -1.524 1.00 0.00 C ATOM 0 H ILE C 61 76.949 -1.805 -1.680 1.00 0.00 H new ATOM 0 HA ILE C 61 74.494 -1.043 -3.081 1.00 0.00 H new ATOM 0 HB ILE C 61 77.355 -0.086 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE C 61 74.622 1.229 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE C 61 75.478 0.323 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE C 61 76.902 1.878 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE C 61 76.861 0.371 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE C 61 75.341 1.171 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE C 61 75.907 2.751 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE C 61 77.410 1.892 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE C 61 76.540 2.812 -2.411 1.00 0.00 H new ATOM 952 N ASP C 62 76.970 -2.180 -4.957 1.00 0.00 N ATOM 953 CA ASP C 62 77.214 -2.722 -6.338 1.00 0.00 C ATOM 954 C ASP C 62 76.341 -3.963 -6.608 1.00 0.00 C ATOM 955 O ASP C 62 75.807 -4.119 -7.688 1.00 0.00 O ATOM 956 CB ASP C 62 78.705 -3.091 -6.388 1.00 0.00 C ATOM 957 CG ASP C 62 79.518 -1.893 -6.887 1.00 0.00 C ATOM 958 OD1 ASP C 62 79.663 -1.761 -8.090 1.00 0.00 O ATOM 959 OD2 ASP C 62 79.985 -1.129 -6.057 1.00 0.00 O1- ATOM 0 H ASP C 62 77.781 -2.191 -4.338 1.00 0.00 H new ATOM 0 HA ASP C 62 76.955 -1.987 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP C 62 79.049 -3.389 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP C 62 78.856 -3.945 -7.048 1.00 0.00 H new ATOM 964 N GLU C 63 76.187 -4.844 -5.641 1.00 0.00 N ATOM 965 CA GLU C 63 75.342 -6.067 -5.864 1.00 0.00 C ATOM 966 C GLU C 63 73.899 -5.666 -6.198 1.00 0.00 C ATOM 967 O GLU C 63 73.272 -6.236 -7.071 1.00 0.00 O ATOM 968 CB GLU C 63 75.379 -6.846 -4.544 1.00 0.00 C ATOM 969 CG GLU C 63 74.933 -8.297 -4.782 1.00 0.00 C ATOM 970 CD GLU C 63 75.978 -9.023 -5.632 1.00 0.00 C ATOM 971 OE1 GLU C 63 77.041 -9.307 -5.109 1.00 0.00 O1- ATOM 972 OE2 GLU C 63 75.696 -9.281 -6.791 1.00 0.00 O ATOM 0 H GLU C 63 76.607 -4.770 -4.714 1.00 0.00 H new ATOM 0 HA GLU C 63 75.715 -6.663 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU C 63 76.387 -6.829 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU C 63 74.726 -6.371 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU C 63 74.805 -8.810 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU C 63 73.966 -8.313 -5.285 1.00 0.00 H new ATOM 979 N VAL C 64 73.376 -4.684 -5.508 1.00 0.00 N ATOM 980 CA VAL C 64 71.977 -4.227 -5.778 1.00 0.00 C ATOM 981 C VAL C 64 71.945 -3.397 -7.071 1.00 0.00 C ATOM 982 O VAL C 64 70.965 -3.397 -7.792 1.00 0.00 O ATOM 983 CB VAL C 64 71.596 -3.363 -4.565 1.00 0.00 C ATOM 984 CG1 VAL C 64 70.176 -2.822 -4.739 1.00 0.00 C ATOM 985 CG2 VAL C 64 71.651 -4.208 -3.285 1.00 0.00 C ATOM 0 H VAL C 64 73.859 -4.177 -4.766 1.00 0.00 H new ATOM 0 HA VAL C 64 71.283 -5.057 -5.912 1.00 0.00 H new ATOM 0 HB VAL C 64 72.300 -2.534 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL C 64 69.911 -2.210 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL C 64 70.126 -2.215 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL C 64 69.477 -3.654 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL C 64 71.380 -3.590 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL C 64 70.952 -5.040 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL C 64 72.661 -4.595 -3.148 1.00 0.00 H new ATOM 995 N ASP C 65 73.014 -2.693 -7.358 1.00 0.00 N ATOM 996 CA ASP C 65 73.074 -1.853 -8.594 1.00 0.00 C ATOM 997 C ASP C 65 72.955 -2.728 -9.855 1.00 0.00 C ATOM 998 O ASP C 65 73.912 -3.333 -10.301 1.00 0.00 O ATOM 999 CB ASP C 65 74.444 -1.161 -8.524 1.00 0.00 C ATOM 1000 CG ASP C 65 74.489 0.014 -9.500 1.00 0.00 C ATOM 1001 OD1 ASP C 65 74.859 -0.204 -10.635 1.00 0.00 O1- ATOM 1002 OD2 ASP C 65 74.167 1.116 -9.089 1.00 0.00 O ATOM 0 H ASP C 65 73.855 -2.665 -6.782 1.00 0.00 H new ATOM 0 HA ASP C 65 72.256 -1.135 -8.650 1.00 0.00 H new ATOM 0 HB2 ASP C 65 74.631 -0.809 -7.510 1.00 0.00 H new ATOM 0 HB3 ASP C 65 75.233 -1.874 -8.764 1.00 0.00 H new ATOM 1007 N GLU C 66 71.777 -2.795 -10.428 1.00 0.00 N ATOM 1008 CA GLU C 66 71.572 -3.622 -11.661 1.00 0.00 C ATOM 1009 C GLU C 66 71.810 -2.788 -12.934 1.00 0.00 C ATOM 1010 O GLU C 66 72.205 -3.311 -13.956 1.00 0.00 O ATOM 1011 CB GLU C 66 70.115 -4.085 -11.585 1.00 0.00 C ATOM 1012 CG GLU C 66 70.057 -5.522 -11.056 1.00 0.00 C ATOM 1013 CD GLU C 66 69.898 -6.498 -12.221 1.00 0.00 C ATOM 1014 OE1 GLU C 66 68.802 -6.592 -12.746 1.00 0.00 O ATOM 1015 OE2 GLU C 66 70.873 -7.142 -12.566 1.00 0.00 O1- ATOM 0 H GLU C 66 70.944 -2.310 -10.093 1.00 0.00 H new ATOM 0 HA GLU C 66 72.270 -4.458 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU C 66 69.547 -3.423 -10.931 1.00 0.00 H new ATOM 0 HB3 GLU C 66 69.654 -4.031 -12.571 1.00 0.00 H new ATOM 0 HG2 GLU C 66 70.966 -5.751 -10.500 1.00 0.00 H new ATOM 0 HG3 GLU C 66 69.223 -5.630 -10.363 1.00 0.00 H new ATOM 1022 N ASP C 67 71.566 -1.501 -12.876 1.00 0.00 N ATOM 1023 CA ASP C 67 71.770 -0.624 -14.077 1.00 0.00 C ATOM 1024 C ASP C 67 73.269 -0.416 -14.378 1.00 0.00 C ATOM 1025 O ASP C 67 73.643 -0.091 -15.491 1.00 0.00 O ATOM 1026 CB ASP C 67 71.078 0.705 -13.721 1.00 0.00 C ATOM 1027 CG ASP C 67 71.755 1.387 -12.518 1.00 0.00 C ATOM 1028 OD1 ASP C 67 72.173 0.695 -11.606 1.00 0.00 O1- ATOM 1029 OD2 ASP C 67 71.820 2.602 -12.519 1.00 0.00 O ATOM 0 H ASP C 67 71.232 -1.015 -12.044 1.00 0.00 H new ATOM 0 HA ASP C 67 71.353 -1.070 -14.980 1.00 0.00 H new ATOM 0 HB2 ASP C 67 71.105 1.373 -14.582 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.028 0.521 -13.493 1.00 0.00 H new ATOM 1034 N GLY C 68 74.127 -0.616 -13.408 1.00 0.00 N ATOM 1035 CA GLY C 68 75.594 -0.449 -13.645 1.00 0.00 C ATOM 1036 C GLY C 68 75.999 1.022 -13.512 1.00 0.00 C ATOM 1037 O GLY C 68 76.702 1.554 -14.351 1.00 0.00 O ATOM 0 H GLY C 68 73.873 -0.889 -12.459 1.00 0.00 H new ATOM 0 HA2 GLY C 68 76.154 -1.052 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.851 -0.814 -14.640 1.00 0.00 H new ATOM 1041 N SER C 69 75.574 1.680 -12.463 1.00 0.00 N ATOM 1042 CA SER C 69 75.946 3.117 -12.267 1.00 0.00 C ATOM 1043 C SER C 69 76.893 3.281 -11.066 1.00 0.00 C ATOM 1044 O SER C 69 77.556 4.294 -10.936 1.00 0.00 O ATOM 1045 CB SER C 69 74.619 3.849 -12.023 1.00 0.00 C ATOM 1046 OG SER C 69 74.166 3.602 -10.694 1.00 0.00 O ATOM 0 H SER C 69 74.984 1.284 -11.731 1.00 0.00 H new ATOM 0 HA SER C 69 76.477 3.519 -13.130 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.750 4.920 -12.179 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.871 3.512 -12.740 1.00 0.00 H new ATOM 0 HG SER C 69 74.230 4.426 -10.168 1.00 0.00 H new ATOM 1052 N GLY C 70 76.968 2.304 -10.191 1.00 0.00 N ATOM 1053 CA GLY C 70 77.876 2.424 -9.006 1.00 0.00 C ATOM 1054 C GLY C 70 77.213 3.278 -7.913 1.00 0.00 C ATOM 1055 O GLY C 70 77.869 3.735 -6.998 1.00 0.00 O ATOM 0 H GLY C 70 76.441 1.432 -10.247 1.00 0.00 H new ATOM 0 HA2 GLY C 70 78.107 1.434 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY C 70 78.821 2.876 -9.307 1.00 0.00 H new ATOM 1059 N THR C 71 75.920 3.491 -7.996 1.00 0.00 N ATOM 1060 CA THR C 71 75.216 4.311 -6.957 1.00 0.00 C ATOM 1061 C THR C 71 73.830 3.717 -6.679 1.00 0.00 C ATOM 1062 O THR C 71 73.084 3.425 -7.593 1.00 0.00 O ATOM 1063 CB THR C 71 75.087 5.713 -7.568 1.00 0.00 C ATOM 1064 OG1 THR C 71 74.475 5.618 -8.849 1.00 0.00 O ATOM 1065 CG2 THR C 71 76.474 6.350 -7.707 1.00 0.00 C ATOM 0 H THR C 71 75.321 3.132 -8.739 1.00 0.00 H new ATOM 0 HA THR C 71 75.755 4.333 -6.010 1.00 0.00 H new ATOM 0 HB THR C 71 74.472 6.334 -6.916 1.00 0.00 H new ATOM 0 HG1 THR C 71 74.391 6.513 -9.239 1.00 0.00 H new ATOM 0 HG21 THR C 71 76.376 7.345 -8.141 1.00 0.00 H new ATOM 0 HG22 THR C 71 76.939 6.427 -6.724 1.00 0.00 H new ATOM 0 HG23 THR C 71 77.095 5.731 -8.355 1.00 0.00 H new ATOM 1073 N VAL C 72 73.476 3.535 -5.427 1.00 0.00 N ATOM 1074 CA VAL C 72 72.131 2.956 -5.107 1.00 0.00 C ATOM 1075 C VAL C 72 71.052 4.046 -5.196 1.00 0.00 C ATOM 1076 O VAL C 72 71.191 5.120 -4.633 1.00 0.00 O ATOM 1077 CB VAL C 72 72.248 2.396 -3.677 1.00 0.00 C ATOM 1078 CG1 VAL C 72 70.885 2.435 -2.971 1.00 0.00 C ATOM 1079 CG2 VAL C 72 72.723 0.944 -3.748 1.00 0.00 C ATOM 0 H VAL C 72 74.056 3.761 -4.619 1.00 0.00 H new ATOM 0 HA VAL C 72 71.842 2.174 -5.809 1.00 0.00 H new ATOM 0 HB VAL C 72 72.958 3.005 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL C 72 70.986 2.036 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL C 72 70.531 3.465 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL C 72 70.169 1.832 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL C 72 72.809 0.539 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL C 72 72.004 0.353 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL C 72 73.695 0.903 -4.239 1.00 0.00 H new ATOM 1089 N ASP C 73 69.979 3.771 -5.889 1.00 0.00 N ATOM 1090 CA ASP C 73 68.874 4.779 -6.012 1.00 0.00 C ATOM 1091 C ASP C 73 67.645 4.301 -5.220 1.00 0.00 C ATOM 1092 O ASP C 73 67.724 3.355 -4.459 1.00 0.00 O ATOM 1093 CB ASP C 73 68.559 4.933 -7.522 1.00 0.00 C ATOM 1094 CG ASP C 73 69.494 4.076 -8.387 1.00 0.00 C ATOM 1095 OD1 ASP C 73 70.543 4.575 -8.760 1.00 0.00 O1- ATOM 1096 OD2 ASP C 73 69.147 2.945 -8.667 1.00 0.00 O ATOM 0 H ASP C 73 69.816 2.891 -6.378 1.00 0.00 H new ATOM 0 HA ASP C 73 69.165 5.745 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.524 4.645 -7.709 1.00 0.00 H new ATOM 0 HB3 ASP C 73 68.656 5.980 -7.809 1.00 0.00 H new ATOM 1101 N PHE C 74 66.516 4.961 -5.368 1.00 0.00 N ATOM 1102 CA PHE C 74 65.293 4.553 -4.591 1.00 0.00 C ATOM 1103 C PHE C 74 64.925 3.082 -4.844 1.00 0.00 C ATOM 1104 O PHE C 74 64.779 2.309 -3.915 1.00 0.00 O ATOM 1105 CB PHE C 74 64.165 5.476 -5.080 1.00 0.00 C ATOM 1106 CG PHE C 74 62.947 5.304 -4.194 1.00 0.00 C ATOM 1107 CD1 PHE C 74 63.027 5.584 -2.823 1.00 0.00 C ATOM 1108 CD2 PHE C 74 61.739 4.860 -4.747 1.00 0.00 C ATOM 1109 CE1 PHE C 74 61.902 5.416 -2.006 1.00 0.00 C ATOM 1110 CE2 PHE C 74 60.612 4.692 -3.928 1.00 0.00 C ATOM 1111 CZ PHE C 74 60.694 4.972 -2.559 1.00 0.00 C ATOM 0 H PHE C 74 66.388 5.760 -5.989 1.00 0.00 H new ATOM 0 HA PHE C 74 65.465 4.645 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE C 74 64.497 6.514 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.911 5.241 -6.114 1.00 0.00 H new ATOM 0 HD1 PHE C 74 63.957 5.930 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.675 4.647 -5.804 1.00 0.00 H new ATOM 0 HE1 PHE C 74 61.966 5.629 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.682 4.347 -4.354 1.00 0.00 H new ATOM 0 HZ PHE C 74 59.826 4.846 -1.929 1.00 0.00 H new ATOM 1121 N ASP C 75 64.768 2.696 -6.087 1.00 0.00 N ATOM 1122 CA ASP C 75 64.398 1.275 -6.401 1.00 0.00 C ATOM 1123 C ASP C 75 65.470 0.302 -5.889 1.00 0.00 C ATOM 1124 O ASP C 75 65.161 -0.753 -5.365 1.00 0.00 O ATOM 1125 CB ASP C 75 64.279 1.214 -7.934 1.00 0.00 C ATOM 1126 CG ASP C 75 65.644 1.447 -8.593 1.00 0.00 C ATOM 1127 OD1 ASP C 75 66.118 2.569 -8.552 1.00 0.00 O1- ATOM 1128 OD2 ASP C 75 66.188 0.498 -9.134 1.00 0.00 O ATOM 0 H ASP C 75 64.880 3.302 -6.900 1.00 0.00 H new ATOM 0 HA ASP C 75 63.468 0.982 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP C 75 63.885 0.243 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP C 75 63.570 1.966 -8.279 1.00 0.00 H new ATOM 1133 N GLU C 76 66.723 0.651 -6.028 1.00 0.00 N ATOM 1134 CA GLU C 76 67.817 -0.246 -5.546 1.00 0.00 C ATOM 1135 C GLU C 76 67.828 -0.288 -4.010 1.00 0.00 C ATOM 1136 O GLU C 76 68.012 -1.329 -3.413 1.00 0.00 O ATOM 1137 CB GLU C 76 69.100 0.389 -6.091 1.00 0.00 C ATOM 1138 CG GLU C 76 69.703 -0.502 -7.183 1.00 0.00 C ATOM 1139 CD GLU C 76 70.569 0.342 -8.122 1.00 0.00 C ATOM 1140 OE1 GLU C 76 71.404 1.077 -7.628 1.00 0.00 O1- ATOM 1141 OE2 GLU C 76 70.390 0.234 -9.322 1.00 0.00 O ATOM 0 H GLU C 76 67.037 1.522 -6.456 1.00 0.00 H new ATOM 0 HA GLU C 76 67.699 -1.276 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU C 76 68.883 1.378 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU C 76 69.819 0.526 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU C 76 70.304 -1.291 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU C 76 68.908 -0.990 -7.747 1.00 0.00 H new ATOM 1148 N PHE C 77 67.620 0.836 -3.368 1.00 0.00 N ATOM 1149 CA PHE C 77 67.607 0.867 -1.871 1.00 0.00 C ATOM 1150 C PHE C 77 66.450 0.020 -1.330 1.00 0.00 C ATOM 1151 O PHE C 77 66.576 -0.633 -0.312 1.00 0.00 O ATOM 1152 CB PHE C 77 67.406 2.341 -1.514 1.00 0.00 C ATOM 1153 CG PHE C 77 67.611 2.552 -0.030 1.00 0.00 C ATOM 1154 CD1 PHE C 77 68.829 2.205 0.571 1.00 0.00 C ATOM 1155 CD2 PHE C 77 66.582 3.108 0.746 1.00 0.00 C ATOM 1156 CE1 PHE C 77 69.019 2.415 1.943 1.00 0.00 C ATOM 1157 CE2 PHE C 77 66.772 3.314 2.116 1.00 0.00 C ATOM 1158 CZ PHE C 77 67.990 2.969 2.715 1.00 0.00 C ATOM 0 H PHE C 77 67.458 1.737 -3.818 1.00 0.00 H new ATOM 0 HA PHE C 77 68.522 0.460 -1.440 1.00 0.00 H new ATOM 0 HB2 PHE C 77 68.107 2.958 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE C 77 66.403 2.658 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE C 77 69.621 1.776 -0.024 1.00 0.00 H new ATOM 0 HD2 PHE C 77 65.643 3.377 0.285 1.00 0.00 H new ATOM 0 HE1 PHE C 77 69.958 2.150 2.405 1.00 0.00 H new ATOM 0 HE2 PHE C 77 65.979 3.740 2.713 1.00 0.00 H new ATOM 0 HZ PHE C 77 68.136 3.130 3.773 1.00 0.00 H new ATOM 1168 N LEU C 78 65.327 0.019 -2.005 1.00 0.00 N ATOM 1169 CA LEU C 78 64.172 -0.797 -1.526 1.00 0.00 C ATOM 1170 C LEU C 78 64.527 -2.288 -1.581 1.00 0.00 C ATOM 1171 O LEU C 78 64.336 -3.013 -0.624 1.00 0.00 O ATOM 1172 CB LEU C 78 63.023 -0.478 -2.481 1.00 0.00 C ATOM 1173 CG LEU C 78 61.891 0.187 -1.699 1.00 0.00 C ATOM 1174 CD1 LEU C 78 60.916 0.839 -2.677 1.00 0.00 C ATOM 1175 CD2 LEU C 78 61.154 -0.866 -0.868 1.00 0.00 C ATOM 0 H LEU C 78 65.162 0.546 -2.863 1.00 0.00 H new ATOM 0 HA LEU C 78 63.906 -0.569 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU C 78 63.368 0.182 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU C 78 62.665 -1.391 -2.957 1.00 0.00 H new ATOM 0 HG LEU C 78 62.304 0.946 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU C 78 60.107 1.314 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU C 78 61.441 1.590 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU C 78 60.503 0.079 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU C 78 60.347 -0.390 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU C 78 60.739 -1.627 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU C 78 61.850 -1.332 -0.171 1.00 0.00 H new ATOM 1187 N VAL C 79 65.057 -2.744 -2.692 1.00 0.00 N ATOM 1188 CA VAL C 79 65.442 -4.188 -2.808 1.00 0.00 C ATOM 1189 C VAL C 79 66.666 -4.490 -1.916 1.00 0.00 C ATOM 1190 O VAL C 79 66.955 -5.632 -1.613 1.00 0.00 O ATOM 1191 CB VAL C 79 65.744 -4.407 -4.303 1.00 0.00 C ATOM 1192 CG1 VAL C 79 67.115 -3.833 -4.678 1.00 0.00 C ATOM 1193 CG2 VAL C 79 65.717 -5.906 -4.615 1.00 0.00 C ATOM 0 H VAL C 79 65.239 -2.180 -3.522 1.00 0.00 H new ATOM 0 HA VAL C 79 64.655 -4.861 -2.469 1.00 0.00 H new ATOM 0 HB VAL C 79 64.982 -3.890 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL C 79 67.302 -4.001 -5.738 1.00 0.00 H new ATOM 0 HG12 VAL C 79 67.130 -2.763 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL C 79 67.889 -4.326 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL C 79 65.931 -6.061 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL C 79 66.470 -6.416 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL C 79 64.732 -6.309 -4.381 1.00 0.00 H new ATOM 1203 N MET C 80 67.371 -3.469 -1.481 1.00 0.00 N ATOM 1204 CA MET C 80 68.557 -3.681 -0.596 1.00 0.00 C ATOM 1205 C MET C 80 68.112 -3.745 0.874 1.00 0.00 C ATOM 1206 O MET C 80 68.566 -4.583 1.630 1.00 0.00 O ATOM 1207 CB MET C 80 69.451 -2.459 -0.838 1.00 0.00 C ATOM 1208 CG MET C 80 70.680 -2.523 0.071 1.00 0.00 C ATOM 1209 SD MET C 80 70.435 -1.424 1.485 1.00 0.00 S ATOM 1210 CE MET C 80 71.782 -0.276 1.111 1.00 0.00 C ATOM 0 H MET C 80 67.172 -2.494 -1.704 1.00 0.00 H new ATOM 0 HA MET C 80 69.077 -4.615 -0.811 1.00 0.00 H new ATOM 0 HB2 MET C 80 69.762 -2.426 -1.882 1.00 0.00 H new ATOM 0 HB3 MET C 80 68.891 -1.544 -0.643 1.00 0.00 H new ATOM 0 HG2 MET C 80 70.840 -3.545 0.414 1.00 0.00 H new ATOM 0 HG3 MET C 80 71.572 -2.229 -0.483 1.00 0.00 H new ATOM 0 HE1 MET C 80 71.491 0.734 1.401 1.00 0.00 H new ATOM 0 HE2 MET C 80 72.674 -0.569 1.664 1.00 0.00 H new ATOM 0 HE3 MET C 80 71.994 -0.300 0.042 1.00 0.00 H new ATOM 1220 N MET C 81 67.235 -2.858 1.287 1.00 0.00 N ATOM 1221 CA MET C 81 66.770 -2.854 2.700 1.00 0.00 C ATOM 1222 C MET C 81 66.077 -4.175 3.067 1.00 0.00 C ATOM 1223 O MET C 81 66.327 -4.730 4.118 1.00 0.00 O ATOM 1224 CB MET C 81 65.786 -1.685 2.789 1.00 0.00 C ATOM 1225 CG MET C 81 65.824 -1.127 4.206 1.00 0.00 C ATOM 1226 SD MET C 81 66.392 0.590 4.178 1.00 0.00 S ATOM 1227 CE MET C 81 67.937 0.332 5.088 1.00 0.00 C ATOM 0 H MET C 81 66.823 -2.135 0.697 1.00 0.00 H new ATOM 0 HA MET C 81 67.603 -2.749 3.396 1.00 0.00 H new ATOM 0 HB2 MET C 81 66.052 -0.910 2.070 1.00 0.00 H new ATOM 0 HB3 MET C 81 64.778 -2.018 2.540 1.00 0.00 H new ATOM 0 HG2 MET C 81 64.832 -1.184 4.655 1.00 0.00 H new ATOM 0 HG3 MET C 81 66.489 -1.729 4.825 1.00 0.00 H new ATOM 0 HE1 MET C 81 68.536 1.242 5.052 1.00 0.00 H new ATOM 0 HE2 MET C 81 67.711 0.086 6.126 1.00 0.00 H new ATOM 0 HE3 MET C 81 68.494 -0.488 4.634 1.00 0.00 H new ATOM 1237 N VAL C 82 65.208 -4.684 2.221 1.00 0.00 N ATOM 1238 CA VAL C 82 64.505 -5.974 2.548 1.00 0.00 C ATOM 1239 C VAL C 82 65.518 -7.076 2.903 1.00 0.00 C ATOM 1240 O VAL C 82 65.269 -7.898 3.765 1.00 0.00 O ATOM 1241 CB VAL C 82 63.697 -6.355 1.293 1.00 0.00 C ATOM 1242 CG1 VAL C 82 62.647 -5.276 1.017 1.00 0.00 C ATOM 1243 CG2 VAL C 82 64.621 -6.487 0.073 1.00 0.00 C ATOM 0 H VAL C 82 64.956 -4.267 1.325 1.00 0.00 H new ATOM 0 HA VAL C 82 63.855 -5.859 3.415 1.00 0.00 H new ATOM 0 HB VAL C 82 63.210 -7.314 1.470 1.00 0.00 H new ATOM 0 HG11 VAL C 82 62.074 -5.544 0.129 1.00 0.00 H new ATOM 0 HG12 VAL C 82 61.975 -5.195 1.871 1.00 0.00 H new ATOM 0 HG13 VAL C 82 63.143 -4.319 0.854 1.00 0.00 H new ATOM 0 HG21 VAL C 82 64.031 -6.757 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL C 82 65.124 -5.537 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL C 82 65.365 -7.261 0.262 1.00 0.00 H new ATOM 1253 N ARG C 83 66.657 -7.094 2.253 1.00 0.00 N ATOM 1254 CA ARG C 83 67.685 -8.140 2.559 1.00 0.00 C ATOM 1255 C ARG C 83 68.401 -7.829 3.881 1.00 0.00 C ATOM 1256 O ARG C 83 68.802 -8.723 4.601 1.00 0.00 O ATOM 1257 CB ARG C 83 68.682 -8.082 1.398 1.00 0.00 C ATOM 1258 CG ARG C 83 68.075 -8.725 0.149 1.00 0.00 C ATOM 1259 CD ARG C 83 69.068 -8.605 -1.012 1.00 0.00 C ATOM 1260 NE ARG C 83 69.855 -9.872 -0.995 1.00 0.00 N ATOM 1261 CZ ARG C 83 71.160 -9.832 -0.969 1.00 0.00 C ATOM 1262 NH1 ARG C 83 71.779 -9.747 0.171 1.00 0.00 N1+ ATOM 1263 NH2 ARG C 83 71.836 -9.855 -2.085 1.00 0.00 N ATOM 0 H ARG C 83 66.920 -6.430 1.524 1.00 0.00 H new ATOM 0 HA ARG C 83 67.232 -9.126 2.665 1.00 0.00 H new ATOM 0 HB2 ARG C 83 68.949 -7.046 1.190 1.00 0.00 H new ATOM 0 HB3 ARG C 83 69.601 -8.599 1.672 1.00 0.00 H new ATOM 0 HG2 ARG C 83 67.845 -9.773 0.340 1.00 0.00 H new ATOM 0 HG3 ARG C 83 67.136 -8.234 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG C 83 68.548 -8.478 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG C 83 69.717 -7.738 -0.886 1.00 0.00 H new ATOM 0 HE ARG C 83 69.373 -10.771 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG C 83 71.245 -9.712 1.040 1.00 0.00 H new ATOM 0 HH12 ARG C 83 72.798 -9.715 0.197 1.00 0.00 H new ATOM 0 HH21 ARG C 83 71.345 -9.904 -2.978 1.00 0.00 H new ATOM 0 HH22 ARG C 83 72.855 -9.824 -2.065 1.00 0.00 H new ATOM 1277 N SER C 84 68.565 -6.568 4.202 1.00 0.00 N ATOM 1278 CA SER C 84 69.252 -6.189 5.477 1.00 0.00 C ATOM 1279 C SER C 84 68.237 -6.104 6.629 1.00 0.00 C ATOM 1280 O SER C 84 68.606 -6.120 7.788 1.00 0.00 O ATOM 1281 CB SER C 84 69.880 -4.814 5.202 1.00 0.00 C ATOM 1282 OG SER C 84 70.696 -4.888 4.036 1.00 0.00 O ATOM 0 H SER C 84 68.251 -5.782 3.633 1.00 0.00 H new ATOM 0 HA SER C 84 70.001 -6.924 5.774 1.00 0.00 H new ATOM 0 HB2 SER C 84 69.099 -4.067 5.065 1.00 0.00 H new ATOM 0 HB3 SER C 84 70.477 -4.498 6.057 1.00 0.00 H new ATOM 0 HG SER C 84 70.132 -4.822 3.237 1.00 0.00 H new ATOM 1288 N MET C 85 66.963 -6.018 6.320 1.00 0.00 N ATOM 1289 CA MET C 85 65.926 -5.939 7.394 1.00 0.00 C ATOM 1290 C MET C 85 65.627 -7.346 7.932 1.00 0.00 C ATOM 1291 O MET C 85 65.920 -7.657 9.072 1.00 0.00 O ATOM 1292 CB MET C 85 64.684 -5.346 6.710 1.00 0.00 C ATOM 1293 CG MET C 85 64.742 -3.816 6.748 1.00 0.00 C ATOM 1294 SD MET C 85 63.539 -3.193 7.955 1.00 0.00 S ATOM 1295 CE MET C 85 62.039 -3.455 6.972 1.00 0.00 C ATOM 0 H MET C 85 66.599 -5.999 5.367 1.00 0.00 H new ATOM 0 HA MET C 85 66.248 -5.332 8.240 1.00 0.00 H new ATOM 0 HB2 MET C 85 64.629 -5.690 5.677 1.00 0.00 H new ATOM 0 HB3 MET C 85 63.781 -5.696 7.211 1.00 0.00 H new ATOM 0 HG2 MET C 85 65.746 -3.486 7.016 1.00 0.00 H new ATOM 0 HG3 MET C 85 64.526 -3.409 5.760 1.00 0.00 H new ATOM 0 HE1 MET C 85 61.479 -2.522 6.907 1.00 0.00 H new ATOM 0 HE2 MET C 85 62.314 -3.784 5.970 1.00 0.00 H new ATOM 0 HE3 MET C 85 61.421 -4.217 7.447 1.00 0.00 H new