USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= 0.818 K(o=1.8,f=0.19) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.936 K(o=1.8,f=0.19) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 33 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.084) USER MOD Single : A 3 THR OG1 : rot 14:sc= 0.411 USER MOD Single : A 5 THR OG1 : rot 77:sc= 1.12 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.852 K(o=0.85,f=-1.6!) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.341! (180deg=-0.674!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.015) USER MOD Single : A 20 ASN : amide:sc= 0.884 K(o=0.88,f=-6.8!) USER MOD Single : A 21 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.1!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.39) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 1.06 (180deg=0.929) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -67:sc= 0.049 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 21:sc= 0.00995 USER MOD Single : A 49 THR OG1 : rot 168:sc= -0.652 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 143:sc= 0.356 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 1.25 (180deg=0.972) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 142:sc= 0.969 (180deg=-0.534!) USER MOD Single : A 73 ASN : amide:sc= 0.549 K(o=0.55,f=-0.0041) USER MOD Single : A 78 GLN : amide:sc= 0.989 K(o=0.99,f=-0.031) USER MOD Single : A 79 ASN : amide:sc= 0.415 K(o=0.41,f=-4.2!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 6.010 -18.149 -16.284 1.00 34.00 N ATOM 36 CA THR A 3 5.369 -18.025 -17.552 1.00 15.00 C ATOM 37 C THR A 3 4.598 -16.761 -17.466 1.00 1.00 C ATOM 38 O THR A 3 3.984 -16.480 -16.414 1.00 14.00 O ATOM 39 CB THR A 3 4.387 -19.196 -17.812 1.00 44.00 C ATOM 40 OG1 THR A 3 4.934 -20.404 -17.257 1.00 2.00 O ATOM 41 CG2 THR A 3 4.216 -19.406 -19.311 1.00 71.00 C ATOM 0 HA THR A 3 6.100 -18.035 -18.361 1.00 15.00 H new ATOM 0 HB THR A 3 3.427 -18.959 -17.354 1.00 44.00 H new ATOM 0 HG1 THR A 3 5.680 -20.182 -16.662 1.00 2.00 H new ATOM 0 HG21 THR A 3 3.525 -20.230 -19.486 1.00 71.00 H new ATOM 0 HG22 THR A 3 3.819 -18.497 -19.763 1.00 71.00 H new ATOM 0 HG23 THR A 3 5.182 -19.641 -19.758 1.00 71.00 H new ATOM 49 N ASP A 4 4.632 -15.984 -18.490 1.00 5.00 N ATOM 50 CA ASP A 4 3.916 -14.738 -18.451 1.00 53.00 C ATOM 51 C ASP A 4 2.467 -15.055 -18.718 1.00 4.00 C ATOM 52 O ASP A 4 2.167 -15.998 -19.455 1.00 62.00 O ATOM 53 CB ASP A 4 4.438 -13.761 -19.492 1.00 61.00 C ATOM 54 CG ASP A 4 5.844 -13.268 -19.298 1.00 32.00 C ATOM 55 OD1 ASP A 4 6.081 -12.421 -18.421 1.00 23.00 O ATOM 56 OD2 ASP A 4 6.718 -13.620 -20.108 1.00 71.00 O ATOM 0 H ASP A 4 5.136 -16.175 -19.356 1.00 5.00 H new ATOM 0 HA ASP A 4 4.047 -14.263 -17.479 1.00 53.00 H new ATOM 0 HB2 ASP A 4 4.375 -14.238 -20.470 1.00 61.00 H new ATOM 0 HB3 ASP A 4 3.773 -12.898 -19.514 1.00 61.00 H new ATOM 61 N THR A 5 1.572 -14.346 -18.129 1.00 11.00 N ATOM 62 CA THR A 5 0.200 -14.663 -18.319 1.00 31.00 C ATOM 63 C THR A 5 -0.648 -13.421 -18.174 1.00 31.00 C ATOM 64 O THR A 5 -0.234 -12.440 -17.564 1.00 15.00 O ATOM 65 CB THR A 5 -0.250 -15.789 -17.345 1.00 4.00 C ATOM 66 OG1 THR A 5 -1.571 -16.256 -17.668 1.00 64.00 O ATOM 67 CG2 THR A 5 -0.203 -15.326 -15.913 1.00 24.00 C ATOM 0 H THR A 5 1.760 -13.551 -17.518 1.00 11.00 H new ATOM 0 HA THR A 5 0.064 -15.043 -19.332 1.00 31.00 H new ATOM 0 HB THR A 5 0.450 -16.616 -17.462 1.00 4.00 H new ATOM 0 HG1 THR A 5 -1.529 -16.840 -18.454 1.00 64.00 H new ATOM 0 HG21 THR A 5 -0.523 -16.136 -15.258 1.00 24.00 H new ATOM 0 HG22 THR A 5 0.816 -15.035 -15.658 1.00 24.00 H new ATOM 0 HG23 THR A 5 -0.868 -14.472 -15.785 1.00 24.00 H new ATOM 75 N LEU A 6 -1.805 -13.444 -18.764 1.00 62.00 N ATOM 76 CA LEU A 6 -2.647 -12.308 -18.738 1.00 2.00 C ATOM 77 C LEU A 6 -3.573 -12.208 -17.501 1.00 23.00 C ATOM 78 O LEU A 6 -3.335 -12.853 -16.472 1.00 51.00 O ATOM 79 CB LEU A 6 -3.317 -12.063 -20.111 1.00 72.00 C ATOM 80 CG LEU A 6 -2.334 -11.561 -21.187 1.00 63.00 C ATOM 81 CD1 LEU A 6 -1.500 -12.654 -21.806 1.00 3.00 C ATOM 82 CD2 LEU A 6 -3.000 -10.692 -22.223 1.00 62.00 C ATOM 0 H LEU A 6 -2.180 -14.246 -19.270 1.00 62.00 H new ATOM 0 HA LEU A 6 -2.000 -11.446 -18.579 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -3.778 -12.990 -20.453 1.00 72.00 H new ATOM 0 HB3 LEU A 6 -4.118 -11.334 -19.992 1.00 72.00 H new ATOM 0 HG LEU A 6 -1.629 -10.926 -20.651 1.00 63.00 H new ATOM 0 HD11 LEU A 6 -0.833 -12.224 -22.553 1.00 3.00 H new ATOM 0 HD12 LEU A 6 -0.910 -13.144 -21.032 1.00 3.00 H new ATOM 0 HD13 LEU A 6 -2.154 -13.386 -22.281 1.00 3.00 H new ATOM 0 HD21 LEU A 6 -2.261 -10.367 -22.955 1.00 62.00 H new ATOM 0 HD22 LEU A 6 -3.783 -11.260 -22.725 1.00 62.00 H new ATOM 0 HD23 LEU A 6 -3.439 -9.820 -21.739 1.00 62.00 H new ATOM 94 N GLU A 7 -4.627 -11.409 -17.640 1.00 13.00 N ATOM 95 CA GLU A 7 -5.483 -10.924 -16.576 1.00 2.00 C ATOM 96 C GLU A 7 -6.312 -12.048 -16.005 1.00 53.00 C ATOM 97 O GLU A 7 -6.787 -11.980 -14.883 1.00 21.00 O ATOM 98 CB GLU A 7 -6.368 -9.861 -17.229 1.00 40.00 C ATOM 99 CG GLU A 7 -7.313 -9.101 -16.337 1.00 73.00 C ATOM 100 CD GLU A 7 -6.638 -8.383 -15.231 1.00 64.00 C ATOM 101 OE1 GLU A 7 -5.868 -7.478 -15.509 1.00 0.00 O ATOM 102 OE2 GLU A 7 -6.890 -8.703 -14.058 1.00 13.00 O ATOM 0 H GLU A 7 -4.919 -11.066 -18.555 1.00 13.00 H new ATOM 0 HA GLU A 7 -4.911 -10.515 -15.743 1.00 2.00 H new ATOM 0 HB2 GLU A 7 -5.718 -9.139 -17.723 1.00 40.00 H new ATOM 0 HB3 GLU A 7 -6.957 -10.345 -18.008 1.00 40.00 H new ATOM 0 HG2 GLU A 7 -7.869 -8.382 -16.939 1.00 73.00 H new ATOM 0 HG3 GLU A 7 -8.041 -9.796 -15.917 1.00 73.00 H new ATOM 109 N TYR A 8 -6.436 -13.084 -16.803 1.00 22.00 N ATOM 110 CA TYR A 8 -7.169 -14.303 -16.549 1.00 62.00 C ATOM 111 C TYR A 8 -8.640 -14.155 -16.062 1.00 1.00 C ATOM 112 O TYR A 8 -9.272 -15.147 -15.765 1.00 71.00 O ATOM 113 CB TYR A 8 -6.380 -15.321 -15.691 1.00 72.00 C ATOM 114 CG TYR A 8 -6.075 -14.894 -14.263 1.00 21.00 C ATOM 115 CD1 TYR A 8 -7.049 -14.957 -13.273 1.00 61.00 C ATOM 116 CD2 TYR A 8 -4.823 -14.424 -13.912 1.00 72.00 C ATOM 117 CE1 TYR A 8 -6.781 -14.565 -11.985 1.00 33.00 C ATOM 118 CE2 TYR A 8 -4.549 -14.029 -12.621 1.00 5.00 C ATOM 119 CZ TYR A 8 -5.529 -14.101 -11.663 1.00 43.00 C ATOM 120 OH TYR A 8 -5.258 -13.704 -10.373 1.00 1.00 O ATOM 0 H TYR A 8 -5.991 -13.096 -17.721 1.00 22.00 H new ATOM 0 HA TYR A 8 -7.274 -14.711 -17.554 1.00 62.00 H new ATOM 0 HB2 TYR A 8 -6.944 -16.253 -15.658 1.00 72.00 H new ATOM 0 HB3 TYR A 8 -5.437 -15.537 -16.194 1.00 72.00 H new ATOM 0 HD1 TYR A 8 -8.035 -15.321 -13.522 1.00 61.00 H new ATOM 0 HD2 TYR A 8 -4.048 -14.366 -14.662 1.00 72.00 H new ATOM 0 HE1 TYR A 8 -7.550 -14.621 -11.229 1.00 33.00 H new ATOM 0 HE2 TYR A 8 -3.566 -13.664 -12.364 1.00 5.00 H new ATOM 0 HH TYR A 8 -4.327 -13.404 -10.312 1.00 1.00 H new ATOM 130 N GLN A 9 -9.185 -12.964 -16.052 1.00 24.00 N ATOM 131 CA GLN A 9 -10.538 -12.753 -15.534 1.00 23.00 C ATOM 132 C GLN A 9 -11.220 -11.666 -16.314 1.00 71.00 C ATOM 133 O GLN A 9 -11.950 -10.829 -15.797 1.00 2.00 O ATOM 134 CB GLN A 9 -10.487 -12.490 -14.016 1.00 43.00 C ATOM 135 CG GLN A 9 -9.578 -11.346 -13.559 1.00 50.00 C ATOM 136 CD GLN A 9 -10.284 -10.009 -13.407 1.00 44.00 C ATOM 137 OE1 GLN A 9 -11.480 -9.950 -13.105 1.00 35.00 O ATOM 138 NE2 GLN A 9 -9.565 -8.943 -13.569 1.00 4.00 N ATOM 0 H GLN A 9 -8.724 -12.120 -16.393 1.00 24.00 H new ATOM 0 HA GLN A 9 -11.140 -13.652 -15.668 1.00 23.00 H new ATOM 0 HB2 GLN A 9 -11.500 -12.282 -13.670 1.00 43.00 H new ATOM 0 HB3 GLN A 9 -10.162 -13.405 -13.520 1.00 43.00 H new ATOM 0 HG2 GLN A 9 -9.126 -11.616 -12.604 1.00 50.00 H new ATOM 0 HG3 GLN A 9 -8.765 -11.235 -14.276 1.00 50.00 H new ATOM 0 HE21 GLN A 9 -8.579 -9.026 -13.818 1.00 4.00 H new ATOM 0 HE22 GLN A 9 -9.985 -8.021 -13.447 1.00 4.00 H new ATOM 147 N CYS A 10 -11.019 -11.756 -17.578 1.00 71.00 N ATOM 148 CA CYS A 10 -11.530 -10.817 -18.550 1.00 3.00 C ATOM 149 C CYS A 10 -13.046 -10.969 -18.629 1.00 2.00 C ATOM 150 O CYS A 10 -13.577 -11.984 -18.176 1.00 2.00 O ATOM 151 CB CYS A 10 -10.898 -11.141 -19.882 1.00 23.00 C ATOM 152 SG CYS A 10 -9.105 -11.487 -19.750 1.00 1.00 S ATOM 0 H CYS A 10 -10.474 -12.510 -17.996 1.00 71.00 H new ATOM 0 HA CYS A 10 -11.294 -9.790 -18.271 1.00 3.00 H new ATOM 0 HB2 CYS A 10 -11.399 -12.006 -20.316 1.00 23.00 H new ATOM 0 HB3 CYS A 10 -11.053 -10.306 -20.565 1.00 23.00 H new ATOM 157 N ASP A 11 -13.727 -10.003 -19.229 1.00 55.00 N ATOM 158 CA ASP A 11 -15.204 -9.970 -19.238 1.00 74.00 C ATOM 159 C ASP A 11 -15.848 -11.247 -19.736 1.00 74.00 C ATOM 160 O ASP A 11 -16.817 -11.707 -19.170 1.00 33.00 O ATOM 161 CB ASP A 11 -15.748 -8.781 -20.038 1.00 62.00 C ATOM 162 CG ASP A 11 -17.265 -8.698 -19.964 1.00 11.00 C ATOM 163 OD1 ASP A 11 -17.802 -8.346 -18.893 1.00 1.00 O ATOM 164 OD2 ASP A 11 -17.954 -9.007 -20.960 1.00 12.00 O ATOM 0 H ASP A 11 -13.289 -9.224 -19.721 1.00 55.00 H new ATOM 0 HA ASP A 11 -15.477 -9.858 -18.189 1.00 74.00 H new ATOM 0 HB2 ASP A 11 -15.314 -7.857 -19.656 1.00 62.00 H new ATOM 0 HB3 ASP A 11 -15.439 -8.872 -21.079 1.00 62.00 H new ATOM 169 N GLU A 12 -15.301 -11.824 -20.763 1.00 53.00 N ATOM 170 CA GLU A 12 -15.932 -12.981 -21.352 1.00 54.00 C ATOM 171 C GLU A 12 -15.280 -14.276 -20.945 1.00 53.00 C ATOM 172 O GLU A 12 -15.950 -15.302 -20.793 1.00 13.00 O ATOM 173 CB GLU A 12 -15.887 -12.881 -22.867 1.00 21.00 C ATOM 174 CG GLU A 12 -16.356 -11.565 -23.390 1.00 62.00 C ATOM 175 CD GLU A 12 -16.413 -11.522 -24.889 1.00 43.00 C ATOM 176 OE1 GLU A 12 -17.404 -12.029 -25.475 1.00 62.00 O ATOM 177 OE2 GLU A 12 -15.490 -10.987 -25.500 1.00 63.00 O ATOM 0 H GLU A 12 -14.434 -11.524 -21.209 1.00 53.00 H new ATOM 0 HA GLU A 12 -16.959 -12.989 -20.988 1.00 54.00 H new ATOM 0 HB2 GLU A 12 -14.865 -13.054 -23.205 1.00 21.00 H new ATOM 0 HB3 GLU A 12 -16.502 -13.673 -23.294 1.00 21.00 H new ATOM 0 HG2 GLU A 12 -17.346 -11.351 -22.987 1.00 62.00 H new ATOM 0 HG3 GLU A 12 -15.690 -10.779 -23.034 1.00 62.00 H new ATOM 184 N LYS A 13 -13.989 -14.247 -20.751 1.00 51.00 N ATOM 185 CA LYS A 13 -13.242 -15.478 -20.664 1.00 65.00 C ATOM 186 C LYS A 13 -12.152 -15.323 -19.676 1.00 53.00 C ATOM 187 O LYS A 13 -11.656 -14.202 -19.471 1.00 15.00 O ATOM 188 CB LYS A 13 -12.575 -15.771 -22.030 1.00 34.00 C ATOM 189 CG LYS A 13 -13.521 -15.739 -23.207 1.00 40.00 C ATOM 190 CD LYS A 13 -14.459 -16.939 -23.246 1.00 61.00 C ATOM 191 CE LYS A 13 -13.781 -18.163 -23.838 1.00 52.00 C ATOM 192 NZ LYS A 13 -13.529 -17.985 -25.288 1.00 60.00 N ATOM 0 H LYS A 13 -13.435 -13.396 -20.651 1.00 51.00 H new ATOM 0 HA LYS A 13 -13.921 -16.281 -20.377 1.00 65.00 H new ATOM 0 HB2 LYS A 13 -11.782 -15.042 -22.197 1.00 34.00 H new ATOM 0 HB3 LYS A 13 -12.102 -16.752 -21.986 1.00 34.00 H new ATOM 0 HG2 LYS A 13 -14.112 -14.824 -23.167 1.00 40.00 H new ATOM 0 HG3 LYS A 13 -12.943 -15.706 -24.131 1.00 40.00 H new ATOM 0 HD2 LYS A 13 -14.802 -17.166 -22.237 1.00 61.00 H new ATOM 0 HD3 LYS A 13 -15.342 -16.692 -23.835 1.00 61.00 H new ATOM 0 HE2 LYS A 13 -12.839 -18.346 -23.322 1.00 52.00 H new ATOM 0 HE3 LYS A 13 -14.407 -19.041 -23.680 1.00 52.00 H new ATOM 0 HZ1 LYS A 13 -12.755 -18.612 -25.585 1.00 60.00 H new ATOM 0 HZ2 LYS A 13 -14.390 -18.221 -25.822 1.00 60.00 H new ATOM 0 HZ3 LYS A 13 -13.265 -16.997 -25.476 1.00 60.00 H new ATOM 206 N PRO A 14 -11.750 -16.399 -19.041 1.00 51.00 N ATOM 207 CA PRO A 14 -10.601 -16.368 -18.230 1.00 24.00 C ATOM 208 C PRO A 14 -9.371 -16.534 -19.137 1.00 22.00 C ATOM 209 O PRO A 14 -9.075 -17.622 -19.624 1.00 43.00 O ATOM 210 CB PRO A 14 -10.771 -17.534 -17.256 1.00 35.00 C ATOM 211 CG PRO A 14 -11.743 -18.470 -17.909 1.00 5.00 C ATOM 212 CD PRO A 14 -12.400 -17.727 -19.048 1.00 3.00 C ATOM 0 HA PRO A 14 -10.468 -15.437 -17.678 1.00 24.00 H new ATOM 0 HB2 PRO A 14 -9.818 -18.028 -17.067 1.00 35.00 H new ATOM 0 HB3 PRO A 14 -11.147 -17.188 -16.293 1.00 35.00 H new ATOM 0 HG2 PRO A 14 -11.230 -19.359 -18.277 1.00 5.00 H new ATOM 0 HG3 PRO A 14 -12.490 -18.808 -17.191 1.00 5.00 H new ATOM 0 HD2 PRO A 14 -12.247 -18.240 -19.998 1.00 3.00 H new ATOM 0 HD3 PRO A 14 -13.477 -17.644 -18.900 1.00 3.00 H new ATOM 220 N LEU A 15 -8.664 -15.461 -19.354 1.00 3.00 N ATOM 221 CA LEU A 15 -7.625 -15.417 -20.325 1.00 34.00 C ATOM 222 C LEU A 15 -6.361 -15.775 -19.657 1.00 73.00 C ATOM 223 O LEU A 15 -5.584 -14.907 -19.232 1.00 63.00 O ATOM 224 CB LEU A 15 -7.536 -14.017 -20.929 1.00 42.00 C ATOM 225 CG LEU A 15 -6.528 -13.783 -22.047 1.00 73.00 C ATOM 226 CD1 LEU A 15 -6.890 -14.585 -23.265 1.00 55.00 C ATOM 227 CD2 LEU A 15 -6.449 -12.311 -22.389 1.00 44.00 C ATOM 0 H LEU A 15 -8.801 -14.584 -18.851 1.00 3.00 H new ATOM 0 HA LEU A 15 -7.828 -16.119 -21.134 1.00 34.00 H new ATOM 0 HB2 LEU A 15 -8.523 -13.754 -21.309 1.00 42.00 H new ATOM 0 HB3 LEU A 15 -7.309 -13.319 -20.123 1.00 42.00 H new ATOM 0 HG LEU A 15 -5.549 -14.112 -21.698 1.00 73.00 H new ATOM 0 HD11 LEU A 15 -6.157 -14.403 -24.051 1.00 55.00 H new ATOM 0 HD12 LEU A 15 -6.897 -15.646 -23.013 1.00 55.00 H new ATOM 0 HD13 LEU A 15 -7.879 -14.289 -23.615 1.00 55.00 H new ATOM 0 HD21 LEU A 15 -5.724 -12.162 -23.189 1.00 44.00 H new ATOM 0 HD22 LEU A 15 -7.428 -11.960 -22.716 1.00 44.00 H new ATOM 0 HD23 LEU A 15 -6.138 -11.749 -21.508 1.00 44.00 H new ATOM 239 N THR A 16 -6.195 -17.024 -19.439 1.00 52.00 N ATOM 240 CA THR A 16 -5.030 -17.442 -18.809 1.00 24.00 C ATOM 241 C THR A 16 -4.074 -17.951 -19.890 1.00 34.00 C ATOM 242 O THR A 16 -4.206 -19.064 -20.385 1.00 73.00 O ATOM 243 CB THR A 16 -5.308 -18.504 -17.748 1.00 22.00 C ATOM 244 OG1 THR A 16 -6.565 -18.177 -17.111 1.00 61.00 O ATOM 245 CG2 THR A 16 -4.221 -18.446 -16.694 1.00 40.00 C ATOM 0 H THR A 16 -6.853 -17.761 -19.690 1.00 52.00 H new ATOM 0 HA THR A 16 -4.575 -16.607 -18.275 1.00 24.00 H new ATOM 0 HB THR A 16 -5.340 -19.494 -18.203 1.00 22.00 H new ATOM 0 HG1 THR A 16 -6.768 -18.847 -16.425 1.00 61.00 H new ATOM 0 HG21 THR A 16 -4.412 -19.202 -15.932 1.00 40.00 H new ATOM 0 HG22 THR A 16 -3.253 -18.636 -17.158 1.00 40.00 H new ATOM 0 HG23 THR A 16 -4.214 -17.459 -16.232 1.00 40.00 H new ATOM 253 N VAL A 17 -3.190 -17.093 -20.298 1.00 12.00 N ATOM 254 CA VAL A 17 -2.295 -17.362 -21.405 1.00 34.00 C ATOM 255 C VAL A 17 -0.960 -17.832 -20.915 1.00 71.00 C ATOM 256 O VAL A 17 -0.548 -17.476 -19.828 1.00 64.00 O ATOM 257 CB VAL A 17 -2.117 -16.078 -22.260 1.00 73.00 C ATOM 258 CG1 VAL A 17 -1.128 -16.275 -23.397 1.00 34.00 C ATOM 259 CG2 VAL A 17 -3.454 -15.647 -22.815 1.00 52.00 C ATOM 0 H VAL A 17 -3.060 -16.174 -19.874 1.00 12.00 H new ATOM 0 HA VAL A 17 -2.733 -18.151 -22.016 1.00 34.00 H new ATOM 0 HB VAL A 17 -1.714 -15.303 -21.608 1.00 73.00 H new ATOM 0 HG11 VAL A 17 -1.038 -15.349 -23.965 1.00 34.00 H new ATOM 0 HG12 VAL A 17 -0.154 -16.547 -22.989 1.00 34.00 H new ATOM 0 HG13 VAL A 17 -1.481 -17.071 -24.053 1.00 34.00 H new ATOM 0 HG21 VAL A 17 -3.326 -14.746 -23.414 1.00 52.00 H new ATOM 0 HG22 VAL A 17 -3.863 -16.442 -23.438 1.00 52.00 H new ATOM 0 HG23 VAL A 17 -4.140 -15.441 -21.993 1.00 52.00 H new ATOM 269 N LYS A 18 -0.311 -18.661 -21.685 1.00 21.00 N ATOM 270 CA LYS A 18 1.013 -19.025 -21.397 1.00 71.00 C ATOM 271 C LYS A 18 1.887 -18.273 -22.330 1.00 0.00 C ATOM 272 O LYS A 18 2.181 -18.743 -23.419 1.00 74.00 O ATOM 273 CB LYS A 18 1.274 -20.536 -21.518 1.00 4.00 C ATOM 274 CG LYS A 18 0.835 -21.404 -20.330 1.00 43.00 C ATOM 275 CD LYS A 18 -0.635 -21.276 -20.002 1.00 13.00 C ATOM 276 CE LYS A 18 -1.075 -22.288 -18.945 1.00 32.00 C ATOM 277 NZ LYS A 18 -0.374 -22.109 -17.650 1.00 70.00 N ATOM 0 H LYS A 18 -0.700 -19.092 -22.523 1.00 21.00 H new ATOM 0 HA LYS A 18 1.224 -18.779 -20.356 1.00 71.00 H new ATOM 0 HB2 LYS A 18 0.767 -20.899 -22.412 1.00 4.00 H new ATOM 0 HB3 LYS A 18 2.342 -20.686 -21.674 1.00 4.00 H new ATOM 0 HG2 LYS A 18 1.061 -22.448 -20.549 1.00 43.00 H new ATOM 0 HG3 LYS A 18 1.420 -21.129 -19.453 1.00 43.00 H new ATOM 0 HD2 LYS A 18 -0.841 -20.267 -19.646 1.00 13.00 H new ATOM 0 HD3 LYS A 18 -1.223 -21.420 -20.909 1.00 13.00 H new ATOM 0 HE2 LYS A 18 -2.150 -22.197 -18.787 1.00 32.00 H new ATOM 0 HE3 LYS A 18 -0.892 -23.296 -19.316 1.00 32.00 H new ATOM 0 HZ1 LYS A 18 -0.747 -22.788 -16.956 1.00 70.00 H new ATOM 0 HZ2 LYS A 18 0.645 -22.273 -17.781 1.00 70.00 H new ATOM 0 HZ3 LYS A 18 -0.527 -21.141 -17.303 1.00 70.00 H new ATOM 291 N LEU A 19 2.171 -17.050 -21.973 1.00 72.00 N ATOM 292 CA LEU A 19 3.114 -16.277 -22.694 1.00 61.00 C ATOM 293 C LEU A 19 4.423 -16.853 -22.361 1.00 40.00 C ATOM 294 O LEU A 19 4.909 -16.749 -21.229 1.00 71.00 O ATOM 295 CB LEU A 19 3.078 -14.816 -22.308 1.00 43.00 C ATOM 296 CG LEU A 19 2.131 -13.890 -23.060 1.00 12.00 C ATOM 297 CD1 LEU A 19 2.034 -12.569 -22.326 1.00 22.00 C ATOM 298 CD2 LEU A 19 2.672 -13.627 -24.449 1.00 22.00 C ATOM 0 H LEU A 19 1.751 -16.573 -21.175 1.00 72.00 H new ATOM 0 HA LEU A 19 2.896 -16.308 -23.762 1.00 61.00 H new ATOM 0 HB2 LEU A 19 2.826 -14.759 -21.249 1.00 43.00 H new ATOM 0 HB3 LEU A 19 4.087 -14.419 -22.418 1.00 43.00 H new ATOM 0 HG LEU A 19 1.150 -14.360 -23.125 1.00 12.00 H new ATOM 0 HD11 LEU A 19 1.357 -11.904 -22.862 1.00 22.00 H new ATOM 0 HD12 LEU A 19 1.654 -12.739 -21.319 1.00 22.00 H new ATOM 0 HD13 LEU A 19 3.022 -12.111 -22.268 1.00 22.00 H new ATOM 0 HD21 LEU A 19 1.992 -12.964 -24.985 1.00 22.00 H new ATOM 0 HD22 LEU A 19 3.653 -13.158 -24.375 1.00 22.00 H new ATOM 0 HD23 LEU A 19 2.761 -14.569 -24.989 1.00 22.00 H new ATOM 310 N ASN A 20 4.946 -17.524 -23.289 1.00 1.00 N ATOM 311 CA ASN A 20 6.179 -18.232 -23.083 1.00 2.00 C ATOM 312 C ASN A 20 7.307 -17.206 -23.008 1.00 52.00 C ATOM 313 O ASN A 20 7.175 -16.133 -23.547 1.00 11.00 O ATOM 314 CB ASN A 20 6.396 -19.203 -24.243 1.00 60.00 C ATOM 315 CG ASN A 20 7.368 -20.342 -23.959 1.00 23.00 C ATOM 316 OD1 ASN A 20 8.265 -20.231 -23.120 1.00 52.00 O ATOM 317 ND2 ASN A 20 7.199 -21.445 -24.652 1.00 61.00 N ATOM 0 H ASN A 20 4.552 -17.616 -24.225 1.00 1.00 H new ATOM 0 HA ASN A 20 6.154 -18.807 -22.157 1.00 2.00 H new ATOM 0 HB2 ASN A 20 5.433 -19.629 -24.525 1.00 60.00 H new ATOM 0 HB3 ASN A 20 6.760 -18.641 -25.103 1.00 60.00 H new ATOM 0 HD21 ASN A 20 7.819 -22.241 -24.503 1.00 61.00 H new ATOM 0 HD22 ASN A 20 6.447 -21.506 -25.339 1.00 61.00 H new ATOM 324 N ASN A 21 8.407 -17.568 -22.375 1.00 3.00 N ATOM 325 CA ASN A 21 9.519 -16.642 -22.078 1.00 40.00 C ATOM 326 C ASN A 21 10.039 -15.866 -23.332 1.00 2.00 C ATOM 327 O ASN A 21 10.202 -14.650 -23.257 1.00 53.00 O ATOM 328 CB ASN A 21 10.661 -17.370 -21.331 1.00 63.00 C ATOM 329 CG ASN A 21 11.682 -16.433 -20.663 1.00 55.00 C ATOM 330 OD1 ASN A 21 11.951 -15.320 -21.121 1.00 32.00 O ATOM 331 ND2 ASN A 21 12.247 -16.878 -19.567 1.00 2.00 N ATOM 0 H ASN A 21 8.569 -18.519 -22.043 1.00 3.00 H new ATOM 0 HA ASN A 21 9.114 -15.877 -21.416 1.00 40.00 H new ATOM 0 HB2 ASN A 21 10.226 -18.016 -20.569 1.00 63.00 H new ATOM 0 HB3 ASN A 21 11.185 -18.016 -22.035 1.00 63.00 H new ATOM 0 HD21 ASN A 21 12.926 -16.300 -19.072 1.00 2.00 H new ATOM 0 HD22 ASN A 21 12.007 -17.802 -19.209 1.00 2.00 H new ATOM 338 N PRO A 22 10.305 -16.527 -24.510 1.00 61.00 N ATOM 339 CA PRO A 22 10.727 -15.798 -25.732 1.00 62.00 C ATOM 340 C PRO A 22 9.593 -14.934 -26.318 1.00 74.00 C ATOM 341 O PRO A 22 9.825 -14.084 -27.175 1.00 52.00 O ATOM 342 CB PRO A 22 11.106 -16.917 -26.720 1.00 52.00 C ATOM 343 CG PRO A 22 11.269 -18.137 -25.881 1.00 33.00 C ATOM 344 CD PRO A 22 10.302 -17.987 -24.750 1.00 70.00 C ATOM 0 HA PRO A 22 11.542 -15.106 -25.523 1.00 62.00 H new ATOM 0 HB2 PRO A 22 10.331 -17.057 -27.473 1.00 52.00 H new ATOM 0 HB3 PRO A 22 12.027 -16.678 -27.252 1.00 52.00 H new ATOM 0 HG2 PRO A 22 11.060 -19.038 -26.457 1.00 33.00 H new ATOM 0 HG3 PRO A 22 12.291 -18.224 -25.512 1.00 33.00 H new ATOM 0 HD2 PRO A 22 9.310 -18.352 -25.015 1.00 70.00 H new ATOM 0 HD3 PRO A 22 10.621 -18.543 -23.868 1.00 70.00 H new ATOM 352 N ARG A 23 8.373 -15.179 -25.833 1.00 73.00 N ATOM 353 CA ARG A 23 7.146 -14.474 -26.229 1.00 73.00 C ATOM 354 C ARG A 23 6.912 -14.447 -27.707 1.00 62.00 C ATOM 355 O ARG A 23 6.713 -13.399 -28.325 1.00 53.00 O ATOM 356 CB ARG A 23 7.027 -13.105 -25.620 1.00 52.00 C ATOM 357 CG ARG A 23 6.820 -13.133 -24.131 1.00 32.00 C ATOM 358 CD ARG A 23 6.643 -11.716 -23.609 1.00 34.00 C ATOM 359 NE ARG A 23 6.513 -11.601 -22.141 1.00 41.00 N ATOM 360 CZ ARG A 23 6.333 -10.417 -21.502 1.00 75.00 C ATOM 361 NH1 ARG A 23 6.178 -9.298 -22.208 1.00 4.00 N ATOM 362 NH2 ARG A 23 6.284 -10.360 -20.171 1.00 43.00 N ATOM 0 H ARG A 23 8.204 -15.898 -25.129 1.00 73.00 H new ATOM 0 HA ARG A 23 6.341 -15.077 -25.809 1.00 73.00 H new ATOM 0 HB2 ARG A 23 7.929 -12.536 -25.844 1.00 52.00 H new ATOM 0 HB3 ARG A 23 6.194 -12.579 -26.086 1.00 52.00 H new ATOM 0 HG2 ARG A 23 5.943 -13.732 -23.888 1.00 32.00 H new ATOM 0 HG3 ARG A 23 7.673 -13.606 -23.645 1.00 32.00 H new ATOM 0 HD2 ARG A 23 7.495 -11.118 -23.931 1.00 34.00 H new ATOM 0 HD3 ARG A 23 5.756 -11.283 -24.072 1.00 34.00 H new ATOM 0 HE ARG A 23 6.561 -12.452 -21.581 1.00 41.00 H new ATOM 0 HH11 ARG A 23 6.195 -9.332 -23.227 1.00 4.00 H new ATOM 0 HH12 ARG A 23 6.043 -8.408 -21.729 1.00 4.00 H new ATOM 0 HH21 ARG A 23 6.382 -11.213 -19.620 1.00 43.00 H new ATOM 0 HH22 ARG A 23 6.148 -9.464 -19.704 1.00 43.00 H new ATOM 376 N GLN A 24 6.991 -15.588 -28.261 1.00 71.00 N ATOM 377 CA GLN A 24 6.688 -15.806 -29.625 1.00 5.00 C ATOM 378 C GLN A 24 5.621 -16.874 -29.713 1.00 4.00 C ATOM 379 O GLN A 24 5.186 -17.247 -30.800 1.00 50.00 O ATOM 380 CB GLN A 24 7.927 -16.208 -30.424 1.00 72.00 C ATOM 381 CG GLN A 24 9.018 -15.153 -30.447 1.00 32.00 C ATOM 382 CD GLN A 24 10.242 -15.585 -31.217 1.00 73.00 C ATOM 383 OE1 GLN A 24 10.576 -16.778 -31.287 1.00 44.00 O ATOM 384 NE2 GLN A 24 10.920 -14.640 -31.803 1.00 14.00 N ATOM 0 H GLN A 24 7.278 -16.431 -27.765 1.00 71.00 H new ATOM 0 HA GLN A 24 6.324 -14.876 -30.062 1.00 5.00 H new ATOM 0 HB2 GLN A 24 8.334 -17.128 -30.004 1.00 72.00 H new ATOM 0 HB3 GLN A 24 7.629 -16.430 -31.449 1.00 72.00 H new ATOM 0 HG2 GLN A 24 8.622 -14.239 -30.889 1.00 32.00 H new ATOM 0 HG3 GLN A 24 9.306 -14.914 -29.423 1.00 32.00 H new ATOM 0 HE21 GLN A 24 10.616 -13.670 -31.724 1.00 14.00 H new ATOM 0 HE22 GLN A 24 11.755 -14.870 -32.341 1.00 14.00 H new ATOM 393 N GLU A 25 5.166 -17.313 -28.550 1.00 22.00 N ATOM 394 CA GLU A 25 4.229 -18.406 -28.450 1.00 3.00 C ATOM 395 C GLU A 25 3.382 -18.235 -27.211 1.00 71.00 C ATOM 396 O GLU A 25 3.877 -17.784 -26.164 1.00 10.00 O ATOM 397 CB GLU A 25 4.992 -19.724 -28.350 1.00 13.00 C ATOM 398 CG GLU A 25 4.129 -20.968 -28.241 1.00 31.00 C ATOM 399 CD GLU A 25 4.946 -22.168 -27.867 1.00 11.00 C ATOM 400 OE1 GLU A 25 5.284 -22.313 -26.664 1.00 44.00 O ATOM 401 OE2 GLU A 25 5.282 -22.976 -28.743 1.00 3.00 O ATOM 0 H GLU A 25 5.440 -16.917 -27.651 1.00 22.00 H new ATOM 0 HA GLU A 25 3.592 -18.414 -29.334 1.00 3.00 H new ATOM 0 HB2 GLU A 25 5.632 -19.822 -29.227 1.00 13.00 H new ATOM 0 HB3 GLU A 25 5.648 -19.680 -27.481 1.00 13.00 H new ATOM 0 HG2 GLU A 25 3.351 -20.809 -27.495 1.00 31.00 H new ATOM 0 HG3 GLU A 25 3.627 -21.149 -29.191 1.00 31.00 H new ATOM 408 N VAL A 26 2.130 -18.546 -27.352 1.00 75.00 N ATOM 409 CA VAL A 26 1.166 -18.532 -26.265 1.00 1.00 C ATOM 410 C VAL A 26 0.324 -19.782 -26.285 1.00 42.00 C ATOM 411 O VAL A 26 -0.116 -20.220 -27.339 1.00 63.00 O ATOM 412 CB VAL A 26 0.212 -17.308 -26.353 1.00 74.00 C ATOM 413 CG1 VAL A 26 0.957 -16.014 -26.213 1.00 0.00 C ATOM 414 CG2 VAL A 26 -0.615 -17.304 -27.622 1.00 44.00 C ATOM 0 H VAL A 26 1.727 -18.826 -28.246 1.00 75.00 H new ATOM 0 HA VAL A 26 1.741 -18.474 -25.341 1.00 1.00 H new ATOM 0 HB VAL A 26 -0.477 -17.403 -25.514 1.00 74.00 H new ATOM 0 HG11 VAL A 26 0.256 -15.182 -26.280 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.461 -15.987 -25.247 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.696 -15.931 -27.010 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.263 -16.428 -27.631 1.00 44.00 H new ATOM 0 HG22 VAL A 26 0.047 -17.275 -28.488 1.00 44.00 H new ATOM 0 HG23 VAL A 26 -1.225 -18.207 -27.662 1.00 44.00 H new ATOM 424 N SER A 27 0.139 -20.379 -25.151 1.00 61.00 N ATOM 425 CA SER A 27 -0.820 -21.425 -25.046 1.00 21.00 C ATOM 426 C SER A 27 -2.023 -20.806 -24.391 1.00 2.00 C ATOM 427 O SER A 27 -1.950 -20.309 -23.263 1.00 23.00 O ATOM 428 CB SER A 27 -0.291 -22.638 -24.284 1.00 54.00 C ATOM 429 OG SER A 27 0.887 -23.153 -24.910 1.00 2.00 O ATOM 0 H SER A 27 0.638 -20.159 -24.289 1.00 61.00 H new ATOM 0 HA SER A 27 -1.071 -21.827 -26.028 1.00 21.00 H new ATOM 0 HB2 SER A 27 -0.069 -22.358 -23.254 1.00 54.00 H new ATOM 0 HB3 SER A 27 -1.057 -23.412 -24.246 1.00 54.00 H new ATOM 0 HG SER A 27 1.212 -23.929 -24.407 1.00 2.00 H new ATOM 435 N PHE A 28 -3.076 -20.764 -25.111 1.00 44.00 N ATOM 436 CA PHE A 28 -4.235 -20.051 -24.730 1.00 74.00 C ATOM 437 C PHE A 28 -5.460 -20.910 -24.753 1.00 1.00 C ATOM 438 O PHE A 28 -5.626 -21.793 -25.601 1.00 25.00 O ATOM 439 CB PHE A 28 -4.345 -18.778 -25.596 1.00 74.00 C ATOM 440 CG PHE A 28 -5.733 -18.292 -25.965 1.00 52.00 C ATOM 441 CD1 PHE A 28 -6.429 -17.438 -25.145 1.00 61.00 C ATOM 442 CD2 PHE A 28 -6.317 -18.683 -27.161 1.00 72.00 C ATOM 443 CE1 PHE A 28 -7.687 -16.984 -25.504 1.00 50.00 C ATOM 444 CE2 PHE A 28 -7.564 -18.233 -27.525 1.00 51.00 C ATOM 445 CZ PHE A 28 -8.252 -17.382 -26.694 1.00 10.00 C ATOM 0 H PHE A 28 -3.160 -21.239 -26.010 1.00 44.00 H new ATOM 0 HA PHE A 28 -4.149 -19.739 -23.689 1.00 74.00 H new ATOM 0 HB2 PHE A 28 -3.836 -17.970 -25.070 1.00 74.00 H new ATOM 0 HB3 PHE A 28 -3.795 -18.953 -26.520 1.00 74.00 H new ATOM 0 HD1 PHE A 28 -5.991 -17.117 -24.211 1.00 61.00 H new ATOM 0 HD2 PHE A 28 -5.782 -19.353 -27.818 1.00 72.00 H new ATOM 0 HE1 PHE A 28 -8.226 -16.316 -24.849 1.00 50.00 H new ATOM 0 HE2 PHE A 28 -8.001 -18.547 -28.461 1.00 51.00 H new ATOM 0 HZ PHE A 28 -9.233 -17.027 -26.974 1.00 10.00 H new ATOM 455 N VAL A 29 -6.275 -20.664 -23.790 1.00 41.00 N ATOM 456 CA VAL A 29 -7.503 -21.330 -23.604 1.00 3.00 C ATOM 457 C VAL A 29 -8.537 -20.634 -24.448 1.00 63.00 C ATOM 458 O VAL A 29 -8.953 -19.512 -24.182 1.00 14.00 O ATOM 459 CB VAL A 29 -7.891 -21.341 -22.078 1.00 13.00 C ATOM 460 CG1 VAL A 29 -7.771 -19.942 -21.450 1.00 70.00 C ATOM 461 CG2 VAL A 29 -9.289 -21.913 -21.863 1.00 4.00 C ATOM 0 H VAL A 29 -6.089 -19.957 -23.079 1.00 41.00 H new ATOM 0 HA VAL A 29 -7.433 -22.372 -23.915 1.00 3.00 H new ATOM 0 HB VAL A 29 -7.179 -21.993 -21.573 1.00 13.00 H new ATOM 0 HG11 VAL A 29 -8.047 -19.991 -20.397 1.00 70.00 H new ATOM 0 HG12 VAL A 29 -6.743 -19.590 -21.540 1.00 70.00 H new ATOM 0 HG13 VAL A 29 -8.437 -19.252 -21.968 1.00 70.00 H new ATOM 0 HG21 VAL A 29 -9.525 -21.906 -20.799 1.00 4.00 H new ATOM 0 HG22 VAL A 29 -10.017 -21.306 -22.400 1.00 4.00 H new ATOM 0 HG23 VAL A 29 -9.325 -22.937 -22.236 1.00 4.00 H new ATOM 471 N TYR A 30 -8.935 -21.292 -25.470 1.00 44.00 N ATOM 472 CA TYR A 30 -9.887 -20.685 -26.390 1.00 45.00 C ATOM 473 C TYR A 30 -11.284 -20.908 -25.922 1.00 31.00 C ATOM 474 O TYR A 30 -12.193 -20.147 -26.246 1.00 54.00 O ATOM 475 CB TYR A 30 -9.693 -21.153 -27.850 1.00 22.00 C ATOM 476 CG TYR A 30 -10.109 -22.579 -28.159 1.00 63.00 C ATOM 477 CD1 TYR A 30 -9.305 -23.654 -27.826 1.00 34.00 C ATOM 478 CD2 TYR A 30 -11.315 -22.839 -28.801 1.00 22.00 C ATOM 479 CE1 TYR A 30 -9.690 -24.939 -28.122 1.00 52.00 C ATOM 480 CE2 TYR A 30 -11.703 -24.124 -29.098 1.00 55.00 C ATOM 481 CZ TYR A 30 -10.887 -25.170 -28.756 1.00 32.00 C ATOM 482 OH TYR A 30 -11.269 -26.455 -29.048 1.00 3.00 O ATOM 0 H TYR A 30 -8.637 -22.237 -25.710 1.00 44.00 H new ATOM 0 HA TYR A 30 -9.692 -19.613 -26.391 1.00 45.00 H new ATOM 0 HB2 TYR A 30 -10.255 -20.484 -28.501 1.00 22.00 H new ATOM 0 HB3 TYR A 30 -8.640 -21.040 -28.109 1.00 22.00 H new ATOM 0 HD1 TYR A 30 -8.363 -23.481 -27.327 1.00 34.00 H new ATOM 0 HD2 TYR A 30 -11.959 -22.015 -29.071 1.00 22.00 H new ATOM 0 HE1 TYR A 30 -9.051 -25.768 -27.856 1.00 52.00 H new ATOM 0 HE2 TYR A 30 -12.643 -24.307 -29.597 1.00 55.00 H new ATOM 0 HH TYR A 30 -12.141 -26.443 -29.495 1.00 3.00 H new ATOM 492 N ASP A 31 -11.438 -21.904 -25.103 1.00 50.00 N ATOM 493 CA ASP A 31 -12.729 -22.302 -24.637 1.00 22.00 C ATOM 494 C ASP A 31 -12.605 -23.006 -23.301 1.00 31.00 C ATOM 495 O ASP A 31 -13.019 -22.471 -22.278 1.00 34.00 O ATOM 496 CB ASP A 31 -13.385 -23.179 -25.689 1.00 12.00 C ATOM 497 CG ASP A 31 -14.732 -23.707 -25.285 1.00 53.00 C ATOM 498 OD1 ASP A 31 -15.713 -22.931 -25.282 1.00 33.00 O ATOM 499 OD2 ASP A 31 -14.835 -24.921 -24.984 1.00 74.00 O ATOM 0 H ASP A 31 -10.668 -22.465 -24.738 1.00 50.00 H new ATOM 0 HA ASP A 31 -13.362 -21.429 -24.480 1.00 22.00 H new ATOM 0 HB2 ASP A 31 -13.491 -22.607 -26.611 1.00 12.00 H new ATOM 0 HB3 ASP A 31 -12.727 -24.020 -25.910 1.00 12.00 H new ATOM 504 N ASN A 32 -12.011 -24.188 -23.297 1.00 3.00 N ATOM 505 CA ASN A 32 -11.777 -24.909 -22.040 1.00 63.00 C ATOM 506 C ASN A 32 -10.490 -25.728 -22.141 1.00 11.00 C ATOM 507 O ASN A 32 -10.147 -26.498 -21.253 1.00 74.00 O ATOM 508 CB ASN A 32 -12.997 -25.809 -21.708 1.00 20.00 C ATOM 509 CG ASN A 32 -12.949 -26.498 -20.333 1.00 31.00 C ATOM 510 OD1 ASN A 32 -12.463 -27.622 -20.194 1.00 23.00 O ATOM 511 ND2 ASN A 32 -13.463 -25.845 -19.328 1.00 45.00 N ATOM 0 H ASN A 32 -11.683 -24.670 -24.134 1.00 3.00 H new ATOM 0 HA ASN A 32 -11.658 -24.193 -21.227 1.00 63.00 H new ATOM 0 HB2 ASN A 32 -13.901 -25.202 -21.761 1.00 20.00 H new ATOM 0 HB3 ASN A 32 -13.083 -26.576 -22.478 1.00 20.00 H new ATOM 0 HD21 ASN A 32 -13.470 -26.263 -18.398 1.00 45.00 H new ATOM 0 HD22 ASN A 32 -13.858 -24.916 -19.472 1.00 45.00 H new ATOM 518 N GLN A 33 -9.725 -25.489 -23.189 1.00 53.00 N ATOM 519 CA GLN A 33 -8.544 -26.246 -23.436 1.00 13.00 C ATOM 520 C GLN A 33 -7.617 -25.327 -24.115 1.00 31.00 C ATOM 521 O GLN A 33 -8.053 -24.260 -24.618 1.00 72.00 O ATOM 522 CB GLN A 33 -8.835 -27.493 -24.280 1.00 64.00 C ATOM 523 CG GLN A 33 -9.227 -27.197 -25.700 1.00 5.00 C ATOM 524 CD GLN A 33 -9.686 -28.426 -26.465 1.00 62.00 C ATOM 525 OE1 GLN A 33 -10.255 -29.350 -25.896 1.00 12.00 O ATOM 526 NE2 GLN A 33 -9.398 -28.472 -27.740 1.00 4.00 N ATOM 0 H GLN A 33 -9.916 -24.765 -23.882 1.00 53.00 H new ATOM 0 HA GLN A 33 -8.114 -26.625 -22.509 1.00 13.00 H new ATOM 0 HB2 GLN A 33 -7.950 -28.130 -24.284 1.00 64.00 H new ATOM 0 HB3 GLN A 33 -9.635 -28.061 -23.805 1.00 64.00 H new ATOM 0 HG2 GLN A 33 -10.027 -26.457 -25.702 1.00 5.00 H new ATOM 0 HG3 GLN A 33 -8.378 -26.751 -26.218 1.00 5.00 H new ATOM 0 HE21 GLN A 33 -8.924 -27.686 -28.184 1.00 4.00 H new ATOM 0 HE22 GLN A 33 -9.648 -29.294 -28.290 1.00 4.00 H new ATOM 535 N LEU A 34 -6.404 -25.684 -24.148 1.00 24.00 N ATOM 536 CA LEU A 34 -5.408 -24.812 -24.621 1.00 55.00 C ATOM 537 C LEU A 34 -4.973 -25.184 -26.027 1.00 53.00 C ATOM 538 O LEU A 34 -4.946 -26.365 -26.391 1.00 13.00 O ATOM 539 CB LEU A 34 -4.196 -24.882 -23.689 1.00 31.00 C ATOM 540 CG LEU A 34 -4.395 -24.493 -22.218 1.00 63.00 C ATOM 541 CD1 LEU A 34 -3.126 -24.760 -21.441 1.00 63.00 C ATOM 542 CD2 LEU A 34 -4.762 -23.039 -22.086 1.00 31.00 C ATOM 0 H LEU A 34 -6.064 -26.597 -23.846 1.00 24.00 H new ATOM 0 HA LEU A 34 -5.818 -23.802 -24.642 1.00 55.00 H new ATOM 0 HB2 LEU A 34 -3.813 -25.902 -23.716 1.00 31.00 H new ATOM 0 HB3 LEU A 34 -3.419 -24.239 -24.102 1.00 31.00 H new ATOM 0 HG LEU A 34 -5.210 -25.095 -21.817 1.00 63.00 H new ATOM 0 HD11 LEU A 34 -3.273 -24.482 -20.397 1.00 63.00 H new ATOM 0 HD12 LEU A 34 -2.878 -25.820 -21.503 1.00 63.00 H new ATOM 0 HD13 LEU A 34 -2.311 -24.171 -21.862 1.00 63.00 H new ATOM 0 HD21 LEU A 34 -4.897 -22.792 -21.033 1.00 31.00 H new ATOM 0 HD22 LEU A 34 -3.966 -22.423 -22.504 1.00 31.00 H new ATOM 0 HD23 LEU A 34 -5.690 -22.848 -22.625 1.00 31.00 H new ATOM 554 N LEU A 35 -4.714 -24.187 -26.818 1.00 32.00 N ATOM 555 CA LEU A 35 -4.030 -24.370 -28.081 1.00 22.00 C ATOM 556 C LEU A 35 -2.937 -23.342 -28.116 1.00 62.00 C ATOM 557 O LEU A 35 -2.916 -22.451 -27.260 1.00 32.00 O ATOM 558 CB LEU A 35 -4.972 -24.327 -29.342 1.00 62.00 C ATOM 559 CG LEU A 35 -5.512 -22.985 -29.913 1.00 11.00 C ATOM 560 CD1 LEU A 35 -6.124 -22.065 -28.879 1.00 74.00 C ATOM 561 CD2 LEU A 35 -4.513 -22.266 -30.814 1.00 53.00 C ATOM 0 H LEU A 35 -4.967 -23.220 -26.614 1.00 32.00 H new ATOM 0 HA LEU A 35 -3.619 -25.378 -28.139 1.00 22.00 H new ATOM 0 HB2 LEU A 35 -4.438 -24.823 -30.152 1.00 62.00 H new ATOM 0 HB3 LEU A 35 -5.840 -24.943 -29.109 1.00 62.00 H new ATOM 0 HG LEU A 35 -6.342 -23.286 -30.552 1.00 11.00 H new ATOM 0 HD11 LEU A 35 -6.474 -21.154 -29.364 1.00 74.00 H new ATOM 0 HD12 LEU A 35 -6.964 -22.566 -28.398 1.00 74.00 H new ATOM 0 HD13 LEU A 35 -5.375 -21.812 -28.129 1.00 74.00 H new ATOM 0 HD21 LEU A 35 -4.954 -21.338 -31.178 1.00 53.00 H new ATOM 0 HD22 LEU A 35 -3.609 -22.041 -30.248 1.00 53.00 H new ATOM 0 HD23 LEU A 35 -4.261 -22.905 -31.661 1.00 53.00 H new ATOM 573 N HIS A 36 -2.057 -23.418 -29.047 1.00 23.00 N ATOM 574 CA HIS A 36 -0.955 -22.490 -29.048 1.00 33.00 C ATOM 575 C HIS A 36 -0.898 -21.652 -30.295 1.00 24.00 C ATOM 576 O HIS A 36 -0.997 -22.153 -31.416 1.00 45.00 O ATOM 577 CB HIS A 36 0.416 -23.133 -28.680 1.00 61.00 C ATOM 578 CG HIS A 36 0.925 -24.207 -29.594 1.00 63.00 C ATOM 579 ND1 HIS A 36 0.731 -25.535 -29.311 1.00 72.00 N ATOM 580 CD2 HIS A 36 1.645 -24.097 -30.734 1.00 32.00 C ATOM 581 CE1 HIS A 36 1.336 -26.199 -30.287 1.00 21.00 C ATOM 582 NE2 HIS A 36 1.901 -25.371 -31.165 1.00 24.00 N ATOM 0 H HIS A 36 -2.064 -24.095 -29.810 1.00 23.00 H new ATOM 0 HA HIS A 36 -1.166 -21.801 -28.230 1.00 33.00 H new ATOM 0 HB2 HIS A 36 1.163 -22.340 -28.638 1.00 61.00 H new ATOM 0 HB3 HIS A 36 0.337 -23.550 -27.676 1.00 61.00 H new ATOM 0 HD2 HIS A 36 1.958 -23.180 -31.212 1.00 32.00 H new ATOM 0 HE1 HIS A 36 1.367 -27.276 -30.361 1.00 21.00 H new ATOM 0 HE2 HIS A 36 2.425 -25.636 -31.999 1.00 24.00 H new ATOM 590 N LEU A 37 -0.778 -20.378 -30.086 1.00 32.00 N ATOM 591 CA LEU A 37 -0.689 -19.408 -31.142 1.00 61.00 C ATOM 592 C LEU A 37 0.661 -18.833 -31.099 1.00 2.00 C ATOM 593 O LEU A 37 1.297 -18.806 -30.037 1.00 40.00 O ATOM 594 CB LEU A 37 -1.704 -18.272 -30.989 1.00 64.00 C ATOM 595 CG LEU A 37 -3.177 -18.689 -30.835 1.00 20.00 C ATOM 596 CD1 LEU A 37 -3.512 -19.057 -29.399 1.00 23.00 C ATOM 597 CD2 LEU A 37 -4.127 -17.640 -31.368 1.00 20.00 C ATOM 0 H LEU A 37 -0.738 -19.969 -29.152 1.00 32.00 H new ATOM 0 HA LEU A 37 -0.902 -19.909 -32.086 1.00 61.00 H new ATOM 0 HB2 LEU A 37 -1.424 -17.678 -30.119 1.00 64.00 H new ATOM 0 HB3 LEU A 37 -1.622 -17.621 -31.859 1.00 64.00 H new ATOM 0 HG LEU A 37 -3.312 -19.583 -31.444 1.00 20.00 H new ATOM 0 HD11 LEU A 37 -4.561 -19.346 -29.333 1.00 23.00 H new ATOM 0 HD12 LEU A 37 -2.886 -19.891 -29.081 1.00 23.00 H new ATOM 0 HD13 LEU A 37 -3.330 -18.199 -28.752 1.00 23.00 H new ATOM 0 HD21 LEU A 37 -5.154 -17.980 -31.237 1.00 20.00 H new ATOM 0 HD22 LEU A 37 -3.981 -16.707 -30.824 1.00 20.00 H new ATOM 0 HD23 LEU A 37 -3.931 -17.476 -32.428 1.00 20.00 H new ATOM 609 N LYS A 38 1.106 -18.366 -32.192 1.00 24.00 N ATOM 610 CA LYS A 38 2.400 -17.838 -32.256 1.00 44.00 C ATOM 611 C LYS A 38 2.387 -16.455 -32.784 1.00 54.00 C ATOM 612 O LYS A 38 1.473 -16.065 -33.503 1.00 13.00 O ATOM 613 CB LYS A 38 3.278 -18.709 -33.105 1.00 13.00 C ATOM 614 CG LYS A 38 2.768 -18.937 -34.512 1.00 52.00 C ATOM 615 CD LYS A 38 3.840 -19.556 -35.361 1.00 52.00 C ATOM 616 CE LYS A 38 3.304 -19.973 -36.722 1.00 14.00 C ATOM 617 NZ LYS A 38 2.359 -21.115 -36.623 1.00 60.00 N ATOM 0 H LYS A 38 0.584 -18.339 -33.068 1.00 24.00 H new ATOM 0 HA LYS A 38 2.802 -17.810 -31.243 1.00 44.00 H new ATOM 0 HB2 LYS A 38 4.269 -18.259 -33.160 1.00 13.00 H new ATOM 0 HB3 LYS A 38 3.393 -19.675 -32.613 1.00 13.00 H new ATOM 0 HG2 LYS A 38 1.893 -19.587 -34.488 1.00 52.00 H new ATOM 0 HG3 LYS A 38 2.450 -17.990 -34.949 1.00 52.00 H new ATOM 0 HD2 LYS A 38 4.656 -18.846 -35.493 1.00 52.00 H new ATOM 0 HD3 LYS A 38 4.253 -20.426 -34.850 1.00 52.00 H new ATOM 0 HE2 LYS A 38 2.801 -19.126 -37.188 1.00 14.00 H new ATOM 0 HE3 LYS A 38 4.136 -20.246 -37.371 1.00 14.00 H new ATOM 0 HZ1 LYS A 38 2.176 -21.497 -37.573 1.00 60.00 H new ATOM 0 HZ2 LYS A 38 2.774 -21.858 -36.025 1.00 60.00 H new ATOM 0 HZ3 LYS A 38 1.465 -20.790 -36.202 1.00 60.00 H new ATOM 631 N GLN A 39 3.379 -15.728 -32.422 1.00 34.00 N ATOM 632 CA GLN A 39 3.547 -14.377 -32.886 1.00 60.00 C ATOM 633 C GLN A 39 3.903 -14.413 -34.346 1.00 13.00 C ATOM 634 O GLN A 39 4.977 -14.859 -34.739 1.00 31.00 O ATOM 635 CB GLN A 39 4.605 -13.658 -32.073 1.00 24.00 C ATOM 636 CG GLN A 39 5.012 -12.289 -32.607 1.00 14.00 C ATOM 637 CD GLN A 39 6.202 -11.720 -31.867 1.00 4.00 C ATOM 638 OE1 GLN A 39 7.351 -11.967 -32.240 1.00 24.00 O ATOM 639 NE2 GLN A 39 5.952 -10.947 -30.847 1.00 14.00 N ATOM 0 H GLN A 39 4.112 -16.046 -31.788 1.00 34.00 H new ATOM 0 HA GLN A 39 2.618 -13.822 -32.758 1.00 60.00 H new ATOM 0 HB2 GLN A 39 4.239 -13.539 -31.053 1.00 24.00 H new ATOM 0 HB3 GLN A 39 5.492 -14.289 -32.021 1.00 24.00 H new ATOM 0 HG2 GLN A 39 5.250 -12.370 -33.668 1.00 14.00 H new ATOM 0 HG3 GLN A 39 4.170 -11.602 -32.521 1.00 14.00 H new ATOM 0 HE21 GLN A 39 4.988 -10.766 -30.568 1.00 14.00 H new ATOM 0 HE22 GLN A 39 6.721 -10.523 -30.328 1.00 14.00 H new ATOM 648 N GLY A 40 2.971 -14.022 -35.109 1.00 71.00 N ATOM 649 CA GLY A 40 3.072 -13.990 -36.534 1.00 33.00 C ATOM 650 C GLY A 40 1.875 -13.280 -37.033 1.00 33.00 C ATOM 651 O GLY A 40 0.843 -13.307 -36.342 1.00 1.00 O ATOM 0 H GLY A 40 2.069 -13.697 -34.760 1.00 71.00 H new ATOM 0 HA2 GLY A 40 3.983 -13.478 -36.845 1.00 33.00 H new ATOM 0 HA3 GLY A 40 3.119 -15.000 -36.941 1.00 33.00 H new ATOM 655 N ILE A 41 1.975 -12.623 -38.191 1.00 75.00 N ATOM 656 CA ILE A 41 0.875 -11.806 -38.720 1.00 21.00 C ATOM 657 C ILE A 41 0.739 -10.528 -37.837 1.00 62.00 C ATOM 658 O ILE A 41 -0.167 -9.707 -37.966 1.00 32.00 O ATOM 659 CB ILE A 41 -0.460 -12.692 -38.841 1.00 44.00 C ATOM 660 CG1 ILE A 41 -0.538 -13.437 -40.184 1.00 0.00 C ATOM 661 CG2 ILE A 41 -1.769 -11.977 -38.529 1.00 13.00 C ATOM 662 CD1 ILE A 41 0.550 -14.456 -40.433 1.00 51.00 C ATOM 0 H ILE A 41 2.806 -12.640 -38.782 1.00 75.00 H new ATOM 0 HA ILE A 41 1.077 -11.463 -39.735 1.00 21.00 H new ATOM 0 HB ILE A 41 -0.353 -13.419 -38.036 1.00 44.00 H new ATOM 0 HG12 ILE A 41 -1.503 -13.941 -40.243 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.513 -12.702 -40.988 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.600 -12.673 -38.644 1.00 13.00 H new ATOM 0 HG22 ILE A 41 -1.745 -11.606 -37.505 1.00 13.00 H new ATOM 0 HG23 ILE A 41 -1.899 -11.140 -39.215 1.00 13.00 H new ATOM 0 HD11 ILE A 41 0.398 -14.920 -41.407 1.00 51.00 H new ATOM 0 HD12 ILE A 41 1.522 -13.963 -40.414 1.00 51.00 H new ATOM 0 HD13 ILE A 41 0.516 -15.221 -39.657 1.00 51.00 H new ATOM 674 N SER A 42 1.748 -10.313 -37.038 1.00 3.00 N ATOM 675 CA SER A 42 1.742 -9.289 -36.060 1.00 42.00 C ATOM 676 C SER A 42 2.182 -7.947 -36.643 1.00 62.00 C ATOM 677 O SER A 42 3.340 -7.535 -36.514 1.00 24.00 O ATOM 678 CB SER A 42 2.598 -9.722 -34.876 1.00 73.00 C ATOM 679 OG SER A 42 2.476 -8.838 -33.784 1.00 75.00 O ATOM 0 H SER A 42 2.608 -10.861 -37.058 1.00 3.00 H new ATOM 0 HA SER A 42 0.722 -9.135 -35.707 1.00 42.00 H new ATOM 0 HB2 SER A 42 2.306 -10.725 -34.565 1.00 73.00 H new ATOM 0 HB3 SER A 42 3.642 -9.776 -35.184 1.00 73.00 H new ATOM 0 HG SER A 42 2.862 -7.969 -34.022 1.00 75.00 H new ATOM 685 N ALA A 43 1.269 -7.318 -37.356 1.00 12.00 N ATOM 686 CA ALA A 43 1.487 -6.029 -37.901 1.00 13.00 C ATOM 687 C ALA A 43 1.313 -4.956 -36.827 1.00 40.00 C ATOM 688 O ALA A 43 2.054 -3.972 -36.779 1.00 22.00 O ATOM 689 CB ALA A 43 0.559 -5.782 -39.080 1.00 21.00 C ATOM 0 H ALA A 43 0.350 -7.708 -37.565 1.00 12.00 H new ATOM 0 HA ALA A 43 2.513 -5.976 -38.266 1.00 13.00 H new ATOM 0 HB1 ALA A 43 0.742 -4.787 -39.485 1.00 21.00 H new ATOM 0 HB2 ALA A 43 0.746 -6.528 -39.853 1.00 21.00 H new ATOM 0 HB3 ALA A 43 -0.477 -5.854 -38.749 1.00 21.00 H new ATOM 695 N SER A 44 0.358 -5.168 -35.951 1.00 3.00 N ATOM 696 CA SER A 44 0.061 -4.227 -34.912 1.00 14.00 C ATOM 697 C SER A 44 -0.098 -4.993 -33.603 1.00 74.00 C ATOM 698 O SER A 44 -0.780 -6.034 -33.567 1.00 0.00 O ATOM 699 CB SER A 44 -1.225 -3.464 -35.271 1.00 43.00 C ATOM 700 OG SER A 44 -1.467 -2.370 -34.402 1.00 75.00 O ATOM 0 H SER A 44 -0.232 -6.000 -35.944 1.00 3.00 H new ATOM 0 HA SER A 44 0.865 -3.500 -34.802 1.00 14.00 H new ATOM 0 HB2 SER A 44 -1.154 -3.101 -36.296 1.00 43.00 H new ATOM 0 HB3 SER A 44 -2.072 -4.148 -35.233 1.00 43.00 H new ATOM 0 HG SER A 44 -2.293 -1.916 -34.670 1.00 75.00 H new ATOM 706 N GLY A 45 0.558 -4.515 -32.560 1.00 15.00 N ATOM 707 CA GLY A 45 0.510 -5.171 -31.275 1.00 71.00 C ATOM 708 C GLY A 45 1.423 -6.345 -31.269 1.00 21.00 C ATOM 709 O GLY A 45 2.555 -6.262 -31.732 1.00 33.00 O ATOM 0 H GLY A 45 1.131 -3.671 -32.583 1.00 15.00 H new ATOM 0 HA2 GLY A 45 0.798 -4.472 -30.490 1.00 71.00 H new ATOM 0 HA3 GLY A 45 -0.509 -5.491 -31.059 1.00 71.00 H new ATOM 713 N ALA A 46 0.925 -7.429 -30.809 1.00 14.00 N ATOM 714 CA ALA A 46 1.617 -8.642 -30.781 1.00 22.00 C ATOM 715 C ALA A 46 0.577 -9.634 -31.060 1.00 21.00 C ATOM 716 O ALA A 46 -0.333 -9.832 -30.258 1.00 24.00 O ATOM 717 CB ALA A 46 2.261 -8.877 -29.435 1.00 45.00 C ATOM 0 H ALA A 46 -0.019 -7.489 -30.427 1.00 14.00 H new ATOM 0 HA ALA A 46 2.438 -8.679 -31.497 1.00 22.00 H new ATOM 0 HB1 ALA A 46 2.791 -9.829 -29.447 1.00 45.00 H new ATOM 0 HB2 ALA A 46 2.965 -8.072 -29.223 1.00 45.00 H new ATOM 0 HB3 ALA A 46 1.492 -8.899 -28.663 1.00 45.00 H new ATOM 723 N ARG A 47 0.616 -10.171 -32.207 1.00 42.00 N ATOM 724 CA ARG A 47 -0.415 -11.028 -32.598 1.00 10.00 C ATOM 725 C ARG A 47 0.046 -12.441 -32.551 1.00 73.00 C ATOM 726 O ARG A 47 0.856 -12.873 -33.368 1.00 3.00 O ATOM 727 CB ARG A 47 -0.968 -10.712 -33.987 1.00 30.00 C ATOM 728 CG ARG A 47 -1.573 -9.328 -34.157 1.00 3.00 C ATOM 729 CD ARG A 47 -2.118 -9.184 -35.564 1.00 13.00 C ATOM 730 NE ARG A 47 -2.627 -7.839 -35.869 1.00 32.00 N ATOM 731 CZ ARG A 47 -2.755 -7.345 -37.117 1.00 50.00 C ATOM 732 NH1 ARG A 47 -2.248 -8.004 -38.154 1.00 1.00 N ATOM 733 NH2 ARG A 47 -3.340 -6.173 -37.314 1.00 34.00 N ATOM 0 H ARG A 47 1.355 -10.031 -32.895 1.00 42.00 H new ATOM 0 HA ARG A 47 -1.229 -10.874 -31.890 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -0.163 -10.828 -34.713 1.00 30.00 H new ATOM 0 HB3 ARG A 47 -1.728 -11.453 -34.232 1.00 30.00 H new ATOM 0 HG2 ARG A 47 -2.370 -9.176 -33.429 1.00 3.00 H new ATOM 0 HG3 ARG A 47 -0.819 -8.564 -33.968 1.00 3.00 H new ATOM 0 HD2 ARG A 47 -1.331 -9.434 -36.276 1.00 13.00 H new ATOM 0 HD3 ARG A 47 -2.921 -9.907 -35.708 1.00 13.00 H new ATOM 0 HE ARG A 47 -2.900 -7.242 -35.088 1.00 32.00 H new ATOM 0 HH11 ARG A 47 -1.760 -8.887 -38.008 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -2.347 -7.626 -39.096 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -3.696 -5.641 -36.520 1.00 34.00 H new ATOM 0 HH22 ARG A 47 -3.435 -5.803 -38.260 1.00 34.00 H new ATOM 747 N TYR A 48 -0.403 -13.119 -31.572 1.00 72.00 N ATOM 748 CA TYR A 48 -0.213 -14.497 -31.451 1.00 43.00 C ATOM 749 C TYR A 48 -1.390 -15.072 -32.135 1.00 24.00 C ATOM 750 O TYR A 48 -2.513 -14.918 -31.708 1.00 72.00 O ATOM 751 CB TYR A 48 -0.133 -14.878 -29.990 1.00 53.00 C ATOM 752 CG TYR A 48 0.955 -14.119 -29.256 1.00 61.00 C ATOM 753 CD1 TYR A 48 2.268 -14.576 -29.241 1.00 65.00 C ATOM 754 CD2 TYR A 48 0.672 -12.927 -28.603 1.00 60.00 C ATOM 755 CE1 TYR A 48 3.262 -13.863 -28.597 1.00 41.00 C ATOM 756 CE2 TYR A 48 1.655 -12.216 -27.958 1.00 13.00 C ATOM 757 CZ TYR A 48 2.945 -12.683 -27.957 1.00 62.00 C ATOM 758 OH TYR A 48 3.929 -11.955 -27.326 1.00 42.00 O ATOM 0 H TYR A 48 -0.934 -12.708 -30.804 1.00 72.00 H new ATOM 0 HA TYR A 48 0.715 -14.862 -31.891 1.00 43.00 H new ATOM 0 HB2 TYR A 48 -1.094 -14.684 -29.513 1.00 53.00 H new ATOM 0 HB3 TYR A 48 0.054 -15.949 -29.906 1.00 53.00 H new ATOM 0 HD1 TYR A 48 2.515 -15.502 -29.740 1.00 65.00 H new ATOM 0 HD2 TYR A 48 -0.341 -12.551 -28.602 1.00 60.00 H new ATOM 0 HE1 TYR A 48 4.279 -14.227 -28.595 1.00 41.00 H new ATOM 0 HE2 TYR A 48 1.413 -11.292 -27.453 1.00 13.00 H new ATOM 0 HH TYR A 48 4.804 -12.204 -27.689 1.00 42.00 H new ATOM 768 N THR A 49 -1.154 -15.625 -33.238 1.00 55.00 N ATOM 769 CA THR A 49 -2.180 -16.023 -34.104 1.00 45.00 C ATOM 770 C THR A 49 -1.749 -17.283 -34.785 1.00 11.00 C ATOM 771 O THR A 49 -0.558 -17.480 -35.014 1.00 34.00 O ATOM 772 CB THR A 49 -2.420 -14.887 -35.141 1.00 73.00 C ATOM 773 OG1 THR A 49 -2.848 -13.702 -34.453 1.00 3.00 O ATOM 774 CG2 THR A 49 -3.441 -15.269 -36.204 1.00 13.00 C ATOM 0 H THR A 49 -0.215 -15.824 -33.583 1.00 55.00 H new ATOM 0 HA THR A 49 -3.109 -16.207 -33.565 1.00 45.00 H new ATOM 0 HB THR A 49 -1.478 -14.708 -35.658 1.00 73.00 H new ATOM 0 HG1 THR A 49 -2.815 -12.938 -35.066 1.00 3.00 H new ATOM 0 HG21 THR A 49 -3.569 -14.440 -36.900 1.00 13.00 H new ATOM 0 HG22 THR A 49 -3.091 -16.147 -36.746 1.00 13.00 H new ATOM 0 HG23 THR A 49 -4.395 -15.493 -35.728 1.00 13.00 H new ATOM 782 N ASP A 50 -2.660 -18.172 -35.015 1.00 32.00 N ATOM 783 CA ASP A 50 -2.309 -19.341 -35.772 1.00 44.00 C ATOM 784 C ASP A 50 -3.329 -19.564 -36.884 1.00 63.00 C ATOM 785 O ASP A 50 -3.214 -20.470 -37.689 1.00 44.00 O ATOM 786 CB ASP A 50 -2.178 -20.559 -34.869 1.00 71.00 C ATOM 787 CG ASP A 50 -1.298 -21.614 -35.487 1.00 40.00 C ATOM 788 OD1 ASP A 50 -0.056 -21.445 -35.469 1.00 51.00 O ATOM 789 OD2 ASP A 50 -1.803 -22.629 -35.971 1.00 23.00 O ATOM 0 H ASP A 50 -3.629 -18.121 -34.702 1.00 32.00 H new ATOM 0 HA ASP A 50 -1.334 -19.185 -36.233 1.00 44.00 H new ATOM 0 HB2 ASP A 50 -1.764 -20.257 -33.907 1.00 71.00 H new ATOM 0 HB3 ASP A 50 -3.166 -20.976 -34.674 1.00 71.00 H new ATOM 794 N GLY A 51 -4.321 -18.689 -36.944 1.00 23.00 N ATOM 795 CA GLY A 51 -5.342 -18.798 -37.965 1.00 33.00 C ATOM 796 C GLY A 51 -6.678 -19.147 -37.375 1.00 14.00 C ATOM 797 O GLY A 51 -7.708 -18.618 -37.799 1.00 13.00 O ATOM 0 H GLY A 51 -4.438 -17.904 -36.303 1.00 23.00 H new ATOM 0 HA2 GLY A 51 -5.418 -17.855 -38.507 1.00 33.00 H new ATOM 0 HA3 GLY A 51 -5.053 -19.560 -38.689 1.00 33.00 H new ATOM 801 N ILE A 52 -6.643 -20.002 -36.353 1.00 53.00 N ATOM 802 CA ILE A 52 -7.842 -20.481 -35.660 1.00 33.00 C ATOM 803 C ILE A 52 -8.495 -19.295 -34.985 1.00 33.00 C ATOM 804 O ILE A 52 -9.696 -19.142 -34.994 1.00 70.00 O ATOM 805 CB ILE A 52 -7.520 -21.599 -34.588 1.00 45.00 C ATOM 806 CG1 ILE A 52 -6.912 -22.891 -35.213 1.00 74.00 C ATOM 807 CG2 ILE A 52 -8.768 -21.970 -33.784 1.00 51.00 C ATOM 808 CD1 ILE A 52 -5.501 -22.770 -35.768 1.00 73.00 C ATOM 0 H ILE A 52 -5.775 -20.386 -35.979 1.00 53.00 H new ATOM 0 HA ILE A 52 -8.507 -20.937 -36.394 1.00 33.00 H new ATOM 0 HB ILE A 52 -6.770 -21.164 -33.928 1.00 45.00 H new ATOM 0 HG12 ILE A 52 -6.915 -23.673 -34.454 1.00 74.00 H new ATOM 0 HG13 ILE A 52 -7.569 -23.224 -36.017 1.00 74.00 H new ATOM 0 HG21 ILE A 52 -8.516 -22.740 -33.055 1.00 51.00 H new ATOM 0 HG22 ILE A 52 -9.142 -21.088 -33.264 1.00 51.00 H new ATOM 0 HG23 ILE A 52 -9.537 -22.347 -34.459 1.00 51.00 H new ATOM 0 HD11 ILE A 52 -5.187 -23.731 -36.175 1.00 73.00 H new ATOM 0 HD12 ILE A 52 -5.484 -22.018 -36.557 1.00 73.00 H new ATOM 0 HD13 ILE A 52 -4.820 -22.474 -34.970 1.00 73.00 H new ATOM 820 N TYR A 53 -7.668 -18.468 -34.406 1.00 64.00 N ATOM 821 CA TYR A 53 -8.055 -17.202 -33.862 1.00 72.00 C ATOM 822 C TYR A 53 -6.879 -16.302 -33.969 1.00 55.00 C ATOM 823 O TYR A 53 -5.755 -16.762 -34.290 1.00 4.00 O ATOM 824 CB TYR A 53 -8.496 -17.245 -32.395 1.00 75.00 C ATOM 825 CG TYR A 53 -9.730 -18.078 -32.115 1.00 14.00 C ATOM 826 CD1 TYR A 53 -10.981 -17.665 -32.550 1.00 33.00 C ATOM 827 CD2 TYR A 53 -9.641 -19.281 -31.429 1.00 52.00 C ATOM 828 CE1 TYR A 53 -12.105 -18.427 -32.316 1.00 1.00 C ATOM 829 CE2 TYR A 53 -10.763 -20.048 -31.186 1.00 41.00 C ATOM 830 CZ TYR A 53 -11.990 -19.620 -31.634 1.00 42.00 C ATOM 831 OH TYR A 53 -13.116 -20.381 -31.390 1.00 63.00 O ATOM 0 H TYR A 53 -6.673 -18.667 -34.298 1.00 64.00 H new ATOM 0 HA TYR A 53 -8.922 -16.859 -34.427 1.00 72.00 H new ATOM 0 HB2 TYR A 53 -7.672 -17.633 -31.796 1.00 75.00 H new ATOM 0 HB3 TYR A 53 -8.682 -16.225 -32.058 1.00 75.00 H new ATOM 0 HD1 TYR A 53 -11.076 -16.730 -33.081 1.00 33.00 H new ATOM 0 HD2 TYR A 53 -8.678 -19.623 -31.079 1.00 52.00 H new ATOM 0 HE1 TYR A 53 -13.071 -18.092 -32.665 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -10.677 -20.980 -30.647 1.00 41.00 H new ATOM 0 HH TYR A 53 -12.863 -21.191 -30.900 1.00 63.00 H new ATOM 841 N VAL A 54 -7.113 -15.068 -33.704 1.00 60.00 N ATOM 842 CA VAL A 54 -6.129 -14.041 -33.736 1.00 22.00 C ATOM 843 C VAL A 54 -6.083 -13.412 -32.357 1.00 62.00 C ATOM 844 O VAL A 54 -7.035 -12.747 -31.951 1.00 63.00 O ATOM 845 CB VAL A 54 -6.549 -12.974 -34.758 1.00 64.00 C ATOM 846 CG1 VAL A 54 -5.613 -11.762 -34.740 1.00 52.00 C ATOM 847 CG2 VAL A 54 -6.635 -13.555 -36.168 1.00 53.00 C ATOM 0 H VAL A 54 -8.039 -14.728 -33.446 1.00 60.00 H new ATOM 0 HA VAL A 54 -5.155 -14.445 -34.014 1.00 22.00 H new ATOM 0 HB VAL A 54 -7.542 -12.634 -34.463 1.00 64.00 H new ATOM 0 HG11 VAL A 54 -5.948 -11.033 -35.478 1.00 52.00 H new ATOM 0 HG12 VAL A 54 -5.625 -11.307 -33.749 1.00 52.00 H new ATOM 0 HG13 VAL A 54 -4.599 -12.082 -34.980 1.00 52.00 H new ATOM 0 HG21 VAL A 54 -6.935 -12.773 -36.866 1.00 53.00 H new ATOM 0 HG22 VAL A 54 -5.661 -13.948 -36.460 1.00 53.00 H new ATOM 0 HG23 VAL A 54 -7.371 -14.359 -36.186 1.00 53.00 H new ATOM 857 N PHE A 55 -5.037 -13.669 -31.628 1.00 2.00 N ATOM 858 CA PHE A 55 -4.890 -13.119 -30.310 1.00 1.00 C ATOM 859 C PHE A 55 -4.005 -11.890 -30.375 1.00 33.00 C ATOM 860 O PHE A 55 -2.778 -11.980 -30.497 1.00 45.00 O ATOM 861 CB PHE A 55 -4.346 -14.183 -29.333 1.00 34.00 C ATOM 862 CG PHE A 55 -4.084 -13.708 -27.926 1.00 55.00 C ATOM 863 CD1 PHE A 55 -5.033 -12.990 -27.229 1.00 14.00 C ATOM 864 CD2 PHE A 55 -2.895 -14.022 -27.292 1.00 5.00 C ATOM 865 CE1 PHE A 55 -4.804 -12.588 -25.937 1.00 10.00 C ATOM 866 CE2 PHE A 55 -2.656 -13.618 -25.999 1.00 32.00 C ATOM 867 CZ PHE A 55 -3.612 -12.900 -25.318 1.00 65.00 C ATOM 0 H PHE A 55 -4.264 -14.263 -31.927 1.00 2.00 H new ATOM 0 HA PHE A 55 -5.864 -12.813 -29.927 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -5.057 -15.008 -29.291 1.00 34.00 H new ATOM 0 HB3 PHE A 55 -3.417 -14.582 -29.741 1.00 34.00 H new ATOM 0 HD1 PHE A 55 -5.969 -12.741 -27.706 1.00 14.00 H new ATOM 0 HD2 PHE A 55 -2.144 -14.592 -27.819 1.00 5.00 H new ATOM 0 HE1 PHE A 55 -5.558 -12.027 -25.405 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -1.720 -13.864 -25.519 1.00 32.00 H new ATOM 0 HZ PHE A 55 -3.429 -12.582 -24.302 1.00 65.00 H new ATOM 877 N TRP A 56 -4.632 -10.759 -30.330 1.00 23.00 N ATOM 878 CA TRP A 56 -3.971 -9.525 -30.388 1.00 5.00 C ATOM 879 C TRP A 56 -3.729 -9.057 -29.004 1.00 33.00 C ATOM 880 O TRP A 56 -4.649 -8.786 -28.221 1.00 43.00 O ATOM 881 CB TRP A 56 -4.749 -8.499 -31.226 1.00 63.00 C ATOM 882 CG TRP A 56 -4.224 -7.068 -31.185 1.00 32.00 C ATOM 883 CD1 TRP A 56 -2.944 -6.646 -30.937 1.00 54.00 C ATOM 884 CD2 TRP A 56 -4.982 -5.880 -31.444 1.00 50.00 C ATOM 885 NE1 TRP A 56 -2.884 -5.278 -30.958 1.00 34.00 N ATOM 886 CE2 TRP A 56 -4.112 -4.783 -31.293 1.00 12.00 C ATOM 887 CE3 TRP A 56 -6.315 -5.640 -31.780 1.00 33.00 C ATOM 888 CZ2 TRP A 56 -4.536 -3.468 -31.465 1.00 13.00 C ATOM 889 CZ3 TRP A 56 -6.732 -4.336 -31.956 1.00 54.00 C ATOM 890 CH2 TRP A 56 -5.845 -3.267 -31.801 1.00 41.00 C ATOM 0 H TRP A 56 -5.646 -10.682 -30.250 1.00 23.00 H new ATOM 0 HA TRP A 56 -3.013 -9.646 -30.894 1.00 5.00 H new ATOM 0 HB2 TRP A 56 -4.753 -8.834 -32.263 1.00 63.00 H new ATOM 0 HB3 TRP A 56 -5.785 -8.495 -30.889 1.00 63.00 H new ATOM 0 HD1 TRP A 56 -2.103 -7.298 -30.752 1.00 54.00 H new ATOM 0 HE1 TRP A 56 -2.055 -4.719 -30.756 1.00 34.00 H new ATOM 0 HE3 TRP A 56 -7.008 -6.460 -31.900 1.00 33.00 H new ATOM 0 HZ2 TRP A 56 -3.856 -2.639 -31.338 1.00 13.00 H new ATOM 0 HZ3 TRP A 56 -7.761 -4.138 -32.218 1.00 54.00 H new ATOM 0 HH2 TRP A 56 -6.203 -2.259 -31.950 1.00 41.00 H new ATOM 901 N SER A 57 -2.513 -8.996 -28.719 1.00 43.00 N ATOM 902 CA SER A 57 -2.037 -8.558 -27.474 1.00 71.00 C ATOM 903 C SER A 57 -1.570 -7.145 -27.682 1.00 41.00 C ATOM 904 O SER A 57 -0.497 -6.898 -28.233 1.00 21.00 O ATOM 905 CB SER A 57 -0.910 -9.473 -27.018 1.00 63.00 C ATOM 906 OG SER A 57 -1.368 -10.810 -26.974 1.00 24.00 O ATOM 0 H SER A 57 -1.774 -9.260 -29.370 1.00 43.00 H new ATOM 0 HA SER A 57 -2.800 -8.587 -26.696 1.00 71.00 H new ATOM 0 HB2 SER A 57 -0.064 -9.391 -27.700 1.00 63.00 H new ATOM 0 HB3 SER A 57 -0.557 -9.167 -26.033 1.00 63.00 H new ATOM 0 HG SER A 57 -0.650 -11.412 -27.261 1.00 24.00 H new ATOM 912 N LYS A 58 -2.417 -6.224 -27.326 1.00 24.00 N ATOM 913 CA LYS A 58 -2.170 -4.834 -27.553 1.00 13.00 C ATOM 914 C LYS A 58 -1.234 -4.345 -26.446 1.00 24.00 C ATOM 915 O LYS A 58 -0.455 -3.419 -26.630 1.00 72.00 O ATOM 916 CB LYS A 58 -3.557 -4.136 -27.562 1.00 63.00 C ATOM 917 CG LYS A 58 -3.656 -2.680 -28.041 1.00 63.00 C ATOM 918 CD LYS A 58 -2.926 -1.741 -27.141 1.00 32.00 C ATOM 919 CE LYS A 58 -3.145 -0.287 -27.506 1.00 4.00 C ATOM 920 NZ LYS A 58 -2.323 0.605 -26.662 1.00 52.00 N ATOM 0 H LYS A 58 -3.306 -6.420 -26.866 1.00 24.00 H new ATOM 0 HA LYS A 58 -1.679 -4.615 -28.501 1.00 13.00 H new ATOM 0 HB2 LYS A 58 -4.222 -4.733 -28.186 1.00 63.00 H new ATOM 0 HB3 LYS A 58 -3.952 -4.176 -26.547 1.00 63.00 H new ATOM 0 HG2 LYS A 58 -3.251 -2.603 -29.050 1.00 63.00 H new ATOM 0 HG3 LYS A 58 -4.705 -2.387 -28.095 1.00 63.00 H new ATOM 0 HD2 LYS A 58 -3.249 -1.905 -26.113 1.00 32.00 H new ATOM 0 HD3 LYS A 58 -1.860 -1.964 -27.179 1.00 32.00 H new ATOM 0 HE2 LYS A 58 -2.895 -0.131 -28.555 1.00 4.00 H new ATOM 0 HE3 LYS A 58 -4.199 -0.034 -27.388 1.00 4.00 H new ATOM 0 HZ1 LYS A 58 -2.591 1.594 -26.838 1.00 52.00 H new ATOM 0 HZ2 LYS A 58 -2.481 0.377 -25.660 1.00 52.00 H new ATOM 0 HZ3 LYS A 58 -1.318 0.472 -26.893 1.00 52.00 H new ATOM 934 N GLY A 59 -1.311 -5.010 -25.319 1.00 1.00 N ATOM 935 CA GLY A 59 -0.475 -4.692 -24.196 1.00 53.00 C ATOM 936 C GLY A 59 -1.316 -4.263 -23.048 1.00 11.00 C ATOM 937 O GLY A 59 -1.251 -4.832 -21.968 1.00 43.00 O ATOM 0 H GLY A 59 -1.955 -5.785 -25.158 1.00 1.00 H new ATOM 0 HA2 GLY A 59 0.121 -5.561 -23.917 1.00 53.00 H new ATOM 0 HA3 GLY A 59 0.223 -3.899 -24.464 1.00 53.00 H new ATOM 941 N ASP A 60 -2.150 -3.287 -23.307 1.00 63.00 N ATOM 942 CA ASP A 60 -3.064 -2.749 -22.314 1.00 30.00 C ATOM 943 C ASP A 60 -4.273 -3.622 -22.309 1.00 24.00 C ATOM 944 O ASP A 60 -4.882 -3.885 -21.285 1.00 44.00 O ATOM 945 CB ASP A 60 -3.535 -1.348 -22.715 1.00 3.00 C ATOM 946 CG ASP A 60 -2.425 -0.404 -23.102 1.00 62.00 C ATOM 947 OD1 ASP A 60 -1.952 -0.481 -24.252 1.00 11.00 O ATOM 948 OD2 ASP A 60 -2.024 0.452 -22.288 1.00 72.00 O ATOM 0 H ASP A 60 -2.219 -2.835 -24.219 1.00 63.00 H new ATOM 0 HA ASP A 60 -2.562 -2.707 -21.347 1.00 30.00 H new ATOM 0 HB2 ASP A 60 -4.228 -1.437 -23.552 1.00 3.00 H new ATOM 0 HB3 ASP A 60 -4.092 -0.914 -21.885 1.00 3.00 H new ATOM 953 N GLU A 61 -4.598 -4.086 -23.481 1.00 64.00 N ATOM 954 CA GLU A 61 -5.732 -4.882 -23.704 1.00 45.00 C ATOM 955 C GLU A 61 -5.348 -6.082 -24.498 1.00 1.00 C ATOM 956 O GLU A 61 -4.221 -6.162 -25.036 1.00 21.00 O ATOM 957 CB GLU A 61 -6.825 -4.093 -24.415 1.00 21.00 C ATOM 958 CG GLU A 61 -6.357 -3.377 -25.648 1.00 4.00 C ATOM 959 CD GLU A 61 -7.462 -2.674 -26.369 1.00 3.00 C ATOM 960 OE1 GLU A 61 -7.893 -1.593 -25.921 1.00 22.00 O ATOM 961 OE2 GLU A 61 -7.901 -3.172 -27.409 1.00 12.00 O ATOM 0 H GLU A 61 -4.052 -3.905 -24.324 1.00 64.00 H new ATOM 0 HA GLU A 61 -6.131 -5.202 -22.741 1.00 45.00 H new ATOM 0 HB2 GLU A 61 -7.632 -4.774 -24.687 1.00 21.00 H new ATOM 0 HB3 GLU A 61 -7.243 -3.364 -23.721 1.00 21.00 H new ATOM 0 HG2 GLU A 61 -5.591 -2.652 -25.372 1.00 4.00 H new ATOM 0 HG3 GLU A 61 -5.889 -4.094 -26.322 1.00 4.00 H new ATOM 968 N ALA A 62 -6.245 -6.990 -24.576 1.00 42.00 N ATOM 969 CA ALA A 62 -6.066 -8.181 -25.282 1.00 41.00 C ATOM 970 C ALA A 62 -7.404 -8.584 -25.827 1.00 54.00 C ATOM 971 O ALA A 62 -8.425 -8.479 -25.125 1.00 33.00 O ATOM 972 CB ALA A 62 -5.523 -9.251 -24.370 1.00 12.00 C ATOM 0 H ALA A 62 -7.158 -6.912 -24.128 1.00 42.00 H new ATOM 0 HA ALA A 62 -5.350 -8.045 -26.093 1.00 41.00 H new ATOM 0 HB1 ALA A 62 -5.388 -10.175 -24.933 1.00 12.00 H new ATOM 0 HB2 ALA A 62 -4.564 -8.930 -23.963 1.00 12.00 H new ATOM 0 HB3 ALA A 62 -6.224 -9.423 -23.553 1.00 12.00 H new ATOM 978 N THR A 63 -7.416 -8.985 -27.039 1.00 34.00 N ATOM 979 CA THR A 63 -8.611 -9.389 -27.697 1.00 64.00 C ATOM 980 C THR A 63 -8.278 -10.591 -28.591 1.00 65.00 C ATOM 981 O THR A 63 -7.105 -10.812 -28.946 1.00 33.00 O ATOM 982 CB THR A 63 -9.198 -8.198 -28.519 1.00 65.00 C ATOM 983 OG1 THR A 63 -10.479 -8.511 -29.068 1.00 44.00 O ATOM 984 CG2 THR A 63 -8.273 -7.821 -29.637 1.00 13.00 C ATOM 0 H THR A 63 -6.580 -9.046 -27.621 1.00 34.00 H new ATOM 0 HA THR A 63 -9.372 -9.683 -26.974 1.00 64.00 H new ATOM 0 HB THR A 63 -9.308 -7.362 -27.828 1.00 65.00 H new ATOM 0 HG1 THR A 63 -10.815 -7.742 -29.574 1.00 44.00 H new ATOM 0 HG21 THR A 63 -8.700 -6.989 -30.198 1.00 13.00 H new ATOM 0 HG22 THR A 63 -7.308 -7.524 -29.226 1.00 13.00 H new ATOM 0 HG23 THR A 63 -8.138 -8.675 -30.301 1.00 13.00 H new ATOM 992 N VAL A 64 -9.277 -11.351 -28.933 1.00 42.00 N ATOM 993 CA VAL A 64 -9.108 -12.571 -29.708 1.00 53.00 C ATOM 994 C VAL A 64 -10.193 -12.597 -30.760 1.00 43.00 C ATOM 995 O VAL A 64 -11.333 -12.928 -30.459 1.00 70.00 O ATOM 996 CB VAL A 64 -9.259 -13.863 -28.859 1.00 52.00 C ATOM 997 CG1 VAL A 64 -8.758 -15.053 -29.641 1.00 60.00 C ATOM 998 CG2 VAL A 64 -8.570 -13.782 -27.507 1.00 10.00 C ATOM 0 H VAL A 64 -10.246 -11.150 -28.685 1.00 42.00 H new ATOM 0 HA VAL A 64 -8.100 -12.560 -30.123 1.00 53.00 H new ATOM 0 HB VAL A 64 -10.322 -13.980 -28.648 1.00 52.00 H new ATOM 0 HG11 VAL A 64 -8.867 -15.956 -29.040 1.00 60.00 H new ATOM 0 HG12 VAL A 64 -9.338 -15.156 -30.558 1.00 60.00 H new ATOM 0 HG13 VAL A 64 -7.707 -14.908 -29.891 1.00 60.00 H new ATOM 0 HG21 VAL A 64 -8.716 -14.718 -26.968 1.00 10.00 H new ATOM 0 HG22 VAL A 64 -7.504 -13.609 -27.652 1.00 10.00 H new ATOM 0 HG23 VAL A 64 -8.996 -12.961 -26.930 1.00 10.00 H new ATOM 1008 N TYR A 65 -9.845 -12.284 -31.966 1.00 73.00 N ATOM 1009 CA TYR A 65 -10.823 -12.071 -33.017 1.00 73.00 C ATOM 1010 C TYR A 65 -10.435 -12.794 -34.288 1.00 13.00 C ATOM 1011 O TYR A 65 -9.462 -12.439 -34.921 1.00 14.00 O ATOM 1012 CB TYR A 65 -10.826 -10.559 -33.294 1.00 5.00 C ATOM 1013 CG TYR A 65 -11.827 -9.980 -34.310 1.00 1.00 C ATOM 1014 CD1 TYR A 65 -11.775 -10.298 -35.670 1.00 0.00 C ATOM 1015 CD2 TYR A 65 -12.779 -9.062 -33.904 1.00 1.00 C ATOM 1016 CE1 TYR A 65 -12.645 -9.724 -36.573 1.00 12.00 C ATOM 1017 CE2 TYR A 65 -13.659 -8.493 -34.802 1.00 13.00 C ATOM 1018 CZ TYR A 65 -13.587 -8.826 -36.132 1.00 14.00 C ATOM 1019 OH TYR A 65 -14.448 -8.230 -37.036 1.00 70.00 O ATOM 0 H TYR A 65 -8.877 -12.165 -32.264 1.00 73.00 H new ATOM 0 HA TYR A 65 -11.797 -12.448 -32.706 1.00 73.00 H new ATOM 0 HB2 TYR A 65 -10.994 -10.052 -32.344 1.00 5.00 H new ATOM 0 HB3 TYR A 65 -9.825 -10.285 -33.628 1.00 5.00 H new ATOM 0 HD1 TYR A 65 -11.039 -11.007 -36.020 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.835 -8.785 -32.862 1.00 1.00 H new ATOM 0 HE1 TYR A 65 -12.586 -9.979 -37.621 1.00 12.00 H new ATOM 0 HE2 TYR A 65 -14.402 -7.788 -34.460 1.00 13.00 H new ATOM 0 HH TYR A 65 -15.052 -7.622 -36.561 1.00 70.00 H new ATOM 1029 N LYS A 66 -11.144 -13.822 -34.629 1.00 62.00 N ATOM 1030 CA LYS A 66 -11.059 -14.331 -35.922 1.00 55.00 C ATOM 1031 C LYS A 66 -12.308 -13.802 -36.590 1.00 14.00 C ATOM 1032 O LYS A 66 -13.222 -13.326 -35.912 1.00 31.00 O ATOM 1033 CB LYS A 66 -11.066 -15.880 -35.994 1.00 70.00 C ATOM 1034 CG LYS A 66 -10.326 -16.377 -37.240 1.00 22.00 C ATOM 1035 CD LYS A 66 -11.070 -17.424 -38.099 1.00 74.00 C ATOM 1036 CE LYS A 66 -11.185 -18.785 -37.435 1.00 50.00 C ATOM 1037 NZ LYS A 66 -11.691 -19.830 -38.359 1.00 14.00 N ATOM 0 H LYS A 66 -11.788 -14.315 -34.010 1.00 62.00 H new ATOM 0 HA LYS A 66 -10.119 -14.032 -36.386 1.00 55.00 H new ATOM 0 HB2 LYS A 66 -10.597 -16.291 -35.100 1.00 70.00 H new ATOM 0 HB3 LYS A 66 -12.094 -16.242 -36.009 1.00 70.00 H new ATOM 0 HG2 LYS A 66 -10.097 -15.517 -37.869 1.00 22.00 H new ATOM 0 HG3 LYS A 66 -9.374 -16.805 -36.926 1.00 22.00 H new ATOM 0 HD2 LYS A 66 -12.070 -17.053 -38.323 1.00 74.00 H new ATOM 0 HD3 LYS A 66 -10.551 -17.536 -39.051 1.00 74.00 H new ATOM 0 HE2 LYS A 66 -10.208 -19.083 -37.055 1.00 50.00 H new ATOM 0 HE3 LYS A 66 -11.852 -18.711 -36.576 1.00 50.00 H new ATOM 0 HZ1 LYS A 66 -11.197 -20.726 -38.174 1.00 14.00 H new ATOM 0 HZ2 LYS A 66 -12.712 -19.960 -38.210 1.00 14.00 H new ATOM 0 HZ3 LYS A 66 -11.519 -19.537 -39.342 1.00 14.00 H new ATOM 1051 N ARG A 67 -12.351 -13.908 -37.857 1.00 2.00 N ATOM 1052 CA ARG A 67 -13.470 -13.491 -38.686 1.00 43.00 C ATOM 1053 C ARG A 67 -14.733 -14.240 -38.250 1.00 33.00 C ATOM 1054 O ARG A 67 -15.836 -13.699 -38.241 1.00 33.00 O ATOM 1055 CB ARG A 67 -13.084 -13.825 -40.163 1.00 44.00 C ATOM 1056 CG ARG A 67 -14.086 -13.475 -41.274 1.00 32.00 C ATOM 1057 CD ARG A 67 -15.337 -14.342 -41.246 1.00 60.00 C ATOM 1058 NE ARG A 67 -15.075 -15.785 -41.437 1.00 73.00 N ATOM 1059 CZ ARG A 67 -15.589 -16.542 -42.422 1.00 25.00 C ATOM 1060 NH1 ARG A 67 -16.230 -15.976 -43.446 1.00 55.00 N ATOM 1061 NH2 ARG A 67 -15.426 -17.861 -42.392 1.00 24.00 N ATOM 0 H ARG A 67 -11.582 -14.304 -38.398 1.00 2.00 H new ATOM 0 HA ARG A 67 -13.677 -12.425 -38.589 1.00 43.00 H new ATOM 0 HB2 ARG A 67 -12.148 -13.313 -40.386 1.00 44.00 H new ATOM 0 HB3 ARG A 67 -12.884 -14.895 -40.221 1.00 44.00 H new ATOM 0 HG2 ARG A 67 -14.375 -12.428 -41.178 1.00 32.00 H new ATOM 0 HG3 ARG A 67 -13.598 -13.583 -42.243 1.00 32.00 H new ATOM 0 HD2 ARG A 67 -15.844 -14.199 -40.292 1.00 60.00 H new ATOM 0 HD3 ARG A 67 -16.020 -14.001 -42.024 1.00 60.00 H new ATOM 0 HE ARG A 67 -14.455 -16.242 -40.768 1.00 73.00 H new ATOM 0 HH11 ARG A 67 -16.333 -14.962 -43.486 1.00 55.00 H new ATOM 0 HH12 ARG A 67 -16.617 -16.557 -44.189 1.00 55.00 H new ATOM 0 HH21 ARG A 67 -14.913 -18.294 -41.624 1.00 24.00 H new ATOM 0 HH22 ARG A 67 -15.814 -18.440 -43.137 1.00 24.00 H new ATOM 1075 N ASP A 68 -14.527 -15.462 -37.857 1.00 23.00 N ATOM 1076 CA ASP A 68 -15.585 -16.389 -37.548 1.00 14.00 C ATOM 1077 C ASP A 68 -16.145 -16.069 -36.238 1.00 71.00 C ATOM 1078 O ASP A 68 -17.363 -16.009 -36.057 1.00 61.00 O ATOM 1079 CB ASP A 68 -15.065 -17.825 -37.499 1.00 60.00 C ATOM 1080 CG ASP A 68 -14.463 -18.337 -38.782 1.00 72.00 C ATOM 1081 OD1 ASP A 68 -14.033 -17.541 -39.638 1.00 14.00 O ATOM 1082 OD2 ASP A 68 -14.306 -19.560 -38.910 1.00 14.00 O ATOM 0 H ASP A 68 -13.594 -15.856 -37.738 1.00 23.00 H new ATOM 0 HA ASP A 68 -16.341 -16.305 -38.329 1.00 14.00 H new ATOM 0 HB2 ASP A 68 -14.315 -17.895 -36.712 1.00 60.00 H new ATOM 0 HB3 ASP A 68 -15.887 -18.482 -37.215 1.00 60.00 H new ATOM 1087 N ARG A 69 -15.267 -15.799 -35.332 1.00 72.00 N ATOM 1088 CA ARG A 69 -15.636 -15.582 -34.015 1.00 70.00 C ATOM 1089 C ARG A 69 -14.509 -14.980 -33.204 1.00 2.00 C ATOM 1090 O ARG A 69 -13.330 -15.352 -33.317 1.00 45.00 O ATOM 1091 CB ARG A 69 -16.156 -16.856 -33.332 1.00 30.00 C ATOM 1092 CG ARG A 69 -16.649 -16.597 -31.929 1.00 0.00 C ATOM 1093 CD ARG A 69 -17.083 -17.836 -31.229 1.00 33.00 C ATOM 1094 NE ARG A 69 -17.475 -17.537 -29.850 1.00 0.00 N ATOM 1095 CZ ARG A 69 -18.277 -18.288 -29.098 1.00 10.00 C ATOM 1096 NH1 ARG A 69 -18.830 -19.391 -29.603 1.00 52.00 N ATOM 1097 NH2 ARG A 69 -18.540 -17.925 -27.846 1.00 34.00 N ATOM 0 H ARG A 69 -14.265 -15.727 -35.509 1.00 72.00 H new ATOM 0 HA ARG A 69 -16.456 -14.865 -34.051 1.00 70.00 H new ATOM 0 HB2 ARG A 69 -16.966 -17.279 -33.926 1.00 30.00 H new ATOM 0 HB3 ARG A 69 -15.360 -17.600 -33.303 1.00 30.00 H new ATOM 0 HG2 ARG A 69 -15.856 -16.119 -31.353 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -17.483 -15.896 -31.966 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -17.920 -18.287 -31.761 1.00 33.00 H new ATOM 0 HD3 ARG A 69 -16.273 -18.565 -31.233 1.00 33.00 H new ATOM 0 HE ARG A 69 -17.103 -16.684 -29.432 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -18.639 -19.661 -30.568 1.00 52.00 H new ATOM 0 HH12 ARG A 69 -19.444 -19.964 -29.025 1.00 52.00 H new ATOM 0 HH21 ARG A 69 -18.128 -17.074 -27.465 1.00 34.00 H new ATOM 0 HH22 ARG A 69 -19.154 -18.498 -27.267 1.00 34.00 H new ATOM 1111 N ILE A 70 -14.899 -14.016 -32.495 1.00 32.00 N ATOM 1112 CA ILE A 70 -14.176 -13.369 -31.455 1.00 51.00 C ATOM 1113 C ILE A 70 -14.448 -14.170 -30.209 1.00 45.00 C ATOM 1114 O ILE A 70 -15.604 -14.478 -29.889 1.00 2.00 O ATOM 1115 CB ILE A 70 -14.762 -11.980 -31.197 1.00 51.00 C ATOM 1116 CG1 ILE A 70 -14.994 -11.239 -32.486 1.00 52.00 C ATOM 1117 CG2 ILE A 70 -13.863 -11.169 -30.279 1.00 33.00 C ATOM 1118 CD1 ILE A 70 -15.792 -9.957 -32.325 1.00 62.00 C ATOM 0 H ILE A 70 -15.823 -13.605 -32.627 1.00 32.00 H new ATOM 0 HA ILE A 70 -13.120 -13.292 -31.716 1.00 51.00 H new ATOM 0 HB ILE A 70 -15.724 -12.118 -30.703 1.00 51.00 H new ATOM 0 HG12 ILE A 70 -14.030 -11.001 -32.935 1.00 52.00 H new ATOM 0 HG13 ILE A 70 -15.516 -11.895 -33.182 1.00 52.00 H new ATOM 0 HG21 ILE A 70 -14.304 -10.186 -30.113 1.00 33.00 H new ATOM 0 HG22 ILE A 70 -13.757 -11.685 -29.325 1.00 33.00 H new ATOM 0 HG23 ILE A 70 -12.882 -11.053 -30.740 1.00 33.00 H new ATOM 0 HD11 ILE A 70 -15.917 -9.481 -33.298 1.00 62.00 H new ATOM 0 HD12 ILE A 70 -16.771 -10.188 -31.906 1.00 62.00 H new ATOM 0 HD13 ILE A 70 -15.262 -9.280 -31.656 1.00 62.00 H new ATOM 1130 N VAL A 71 -13.445 -14.490 -29.519 1.00 12.00 N ATOM 1131 CA VAL A 71 -13.607 -15.273 -28.317 1.00 34.00 C ATOM 1132 C VAL A 71 -13.165 -14.534 -27.095 1.00 52.00 C ATOM 1133 O VAL A 71 -13.008 -15.131 -26.035 1.00 74.00 O ATOM 1134 CB VAL A 71 -13.011 -16.704 -28.382 1.00 51.00 C ATOM 1135 CG1 VAL A 71 -13.772 -17.544 -29.380 1.00 53.00 C ATOM 1136 CG2 VAL A 71 -11.548 -16.689 -28.728 1.00 51.00 C ATOM 0 H VAL A 71 -12.483 -14.235 -29.742 1.00 12.00 H new ATOM 0 HA VAL A 71 -14.683 -15.428 -28.239 1.00 34.00 H new ATOM 0 HB VAL A 71 -13.110 -17.144 -27.390 1.00 51.00 H new ATOM 0 HG11 VAL A 71 -13.343 -18.545 -29.415 1.00 53.00 H new ATOM 0 HG12 VAL A 71 -14.818 -17.608 -29.079 1.00 53.00 H new ATOM 0 HG13 VAL A 71 -13.705 -17.086 -30.367 1.00 53.00 H new ATOM 0 HG21 VAL A 71 -11.172 -17.711 -28.763 1.00 51.00 H new ATOM 0 HG22 VAL A 71 -11.409 -16.218 -29.701 1.00 51.00 H new ATOM 0 HG23 VAL A 71 -11.001 -16.127 -27.971 1.00 51.00 H new ATOM 1146 N LEU A 72 -12.979 -13.232 -27.264 1.00 70.00 N ATOM 1147 CA LEU A 72 -12.700 -12.279 -26.184 1.00 61.00 C ATOM 1148 C LEU A 72 -12.469 -10.940 -26.831 1.00 31.00 C ATOM 1149 O LEU A 72 -11.602 -10.829 -27.669 1.00 72.00 O ATOM 1150 CB LEU A 72 -11.443 -12.641 -25.376 1.00 54.00 C ATOM 1151 CG LEU A 72 -11.601 -12.600 -23.852 1.00 2.00 C ATOM 1152 CD1 LEU A 72 -10.301 -12.961 -23.178 1.00 20.00 C ATOM 1153 CD2 LEU A 72 -12.092 -11.244 -23.376 1.00 42.00 C ATOM 0 H LEU A 72 -13.018 -12.790 -28.183 1.00 70.00 H new ATOM 0 HA LEU A 72 -13.543 -12.284 -25.493 1.00 61.00 H new ATOM 0 HB2 LEU A 72 -11.124 -13.643 -25.663 1.00 54.00 H new ATOM 0 HB3 LEU A 72 -10.642 -11.958 -25.659 1.00 54.00 H new ATOM 0 HG LEU A 72 -12.356 -13.337 -23.577 1.00 2.00 H new ATOM 0 HD11 LEU A 72 -10.430 -12.927 -22.096 1.00 20.00 H new ATOM 0 HD12 LEU A 72 -10.003 -13.966 -23.477 1.00 20.00 H new ATOM 0 HD13 LEU A 72 -9.529 -12.251 -23.473 1.00 20.00 H new ATOM 0 HD21 LEU A 72 -12.192 -11.254 -22.291 1.00 42.00 H new ATOM 0 HD22 LEU A 72 -11.377 -10.475 -23.668 1.00 42.00 H new ATOM 0 HD23 LEU A 72 -13.060 -11.029 -23.827 1.00 42.00 H new ATOM 1165 N ASN A 73 -13.250 -9.948 -26.499 1.00 20.00 N ATOM 1166 CA ASN A 73 -13.075 -8.638 -27.139 1.00 2.00 C ATOM 1167 C ASN A 73 -12.870 -7.528 -26.130 1.00 53.00 C ATOM 1168 O ASN A 73 -12.860 -6.343 -26.473 1.00 64.00 O ATOM 1169 CB ASN A 73 -14.258 -8.336 -28.070 1.00 43.00 C ATOM 1170 CG ASN A 73 -15.515 -7.791 -27.367 1.00 44.00 C ATOM 1171 OD1 ASN A 73 -15.738 -6.583 -27.329 1.00 53.00 O ATOM 1172 ND2 ASN A 73 -16.306 -8.649 -26.769 1.00 13.00 N ATOM 0 H ASN A 73 -14.000 -10.000 -25.809 1.00 20.00 H new ATOM 0 HA ASN A 73 -12.165 -8.684 -27.737 1.00 2.00 H new ATOM 0 HB2 ASN A 73 -13.936 -7.613 -28.819 1.00 43.00 H new ATOM 0 HB3 ASN A 73 -14.525 -9.249 -28.602 1.00 43.00 H new ATOM 0 HD21 ASN A 73 -17.125 -8.318 -26.259 1.00 13.00 H new ATOM 0 HD22 ASN A 73 -16.102 -9.647 -26.813 1.00 13.00 H new ATOM 1179 N ASN A 74 -12.612 -7.913 -24.919 1.00 64.00 N ATOM 1180 CA ASN A 74 -12.465 -6.971 -23.842 1.00 23.00 C ATOM 1181 C ASN A 74 -11.760 -7.607 -22.685 1.00 20.00 C ATOM 1182 O ASN A 74 -12.366 -8.281 -21.832 1.00 14.00 O ATOM 1183 CB ASN A 74 -13.804 -6.343 -23.380 1.00 4.00 C ATOM 1184 CG ASN A 74 -13.606 -5.313 -22.256 1.00 54.00 C ATOM 1185 OD1 ASN A 74 -12.559 -4.652 -22.167 1.00 51.00 O ATOM 1186 ND2 ASN A 74 -14.595 -5.158 -21.413 1.00 53.00 N ATOM 0 H ASN A 74 -12.496 -8.888 -24.644 1.00 64.00 H new ATOM 0 HA ASN A 74 -11.863 -6.151 -24.234 1.00 23.00 H new ATOM 0 HB2 ASN A 74 -14.290 -5.862 -24.229 1.00 4.00 H new ATOM 0 HB3 ASN A 74 -14.473 -7.131 -23.034 1.00 4.00 H new ATOM 0 HD21 ASN A 74 -14.518 -4.479 -20.656 1.00 53.00 H new ATOM 0 HD22 ASN A 74 -15.443 -5.717 -21.513 1.00 53.00 H new ATOM 1193 N CYS A 75 -10.488 -7.511 -22.725 1.00 23.00 N ATOM 1194 CA CYS A 75 -9.681 -7.881 -21.634 1.00 11.00 C ATOM 1195 C CYS A 75 -8.666 -6.816 -21.516 1.00 42.00 C ATOM 1196 O CYS A 75 -8.180 -6.316 -22.532 1.00 54.00 O ATOM 1197 CB CYS A 75 -9.013 -9.227 -21.819 1.00 73.00 C ATOM 1198 SG CYS A 75 -8.148 -9.790 -20.314 1.00 74.00 S ATOM 0 H CYS A 75 -9.970 -7.166 -23.533 1.00 23.00 H new ATOM 0 HA CYS A 75 -10.290 -7.986 -20.736 1.00 11.00 H new ATOM 0 HB2 CYS A 75 -9.763 -9.966 -22.101 1.00 73.00 H new ATOM 0 HB3 CYS A 75 -8.301 -9.166 -22.642 1.00 73.00 H new ATOM 1203 N GLN A 76 -8.357 -6.456 -20.329 1.00 2.00 N ATOM 1204 CA GLN A 76 -7.502 -5.369 -20.053 1.00 22.00 C ATOM 1205 C GLN A 76 -6.584 -5.846 -19.026 1.00 32.00 C ATOM 1206 O GLN A 76 -6.993 -6.278 -17.952 1.00 54.00 O ATOM 1207 CB GLN A 76 -8.297 -4.149 -19.642 1.00 1.00 C ATOM 1208 CG GLN A 76 -9.240 -3.703 -20.752 1.00 14.00 C ATOM 1209 CD GLN A 76 -10.078 -2.504 -20.383 1.00 62.00 C ATOM 1210 OE1 GLN A 76 -9.648 -1.642 -19.618 1.00 54.00 O ATOM 1211 NE2 GLN A 76 -11.287 -2.451 -20.882 1.00 60.00 N ATOM 0 H GLN A 76 -8.705 -6.927 -19.494 1.00 2.00 H new ATOM 0 HA GLN A 76 -6.940 -5.042 -20.928 1.00 22.00 H new ATOM 0 HB2 GLN A 76 -8.871 -4.372 -18.742 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -7.616 -3.336 -19.392 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -8.656 -3.468 -21.642 1.00 14.00 H new ATOM 0 HG3 GLN A 76 -9.899 -4.531 -21.013 1.00 14.00 H new ATOM 0 HE21 GLN A 76 -11.611 -3.184 -21.514 1.00 60.00 H new ATOM 0 HE22 GLN A 76 -11.905 -1.677 -20.639 1.00 60.00 H new ATOM 1220 N LEU A 77 -5.380 -5.827 -19.382 1.00 23.00 N ATOM 1221 CA LEU A 77 -4.366 -6.552 -18.694 1.00 60.00 C ATOM 1222 C LEU A 77 -3.683 -5.802 -17.540 1.00 55.00 C ATOM 1223 O LEU A 77 -3.394 -4.602 -17.649 1.00 52.00 O ATOM 1224 CB LEU A 77 -3.344 -7.040 -19.729 1.00 14.00 C ATOM 1225 CG LEU A 77 -2.075 -7.722 -19.224 1.00 75.00 C ATOM 1226 CD1 LEU A 77 -2.398 -8.941 -18.396 1.00 44.00 C ATOM 1227 CD2 LEU A 77 -1.196 -8.096 -20.396 1.00 15.00 C ATOM 0 H LEU A 77 -5.039 -5.296 -20.183 1.00 23.00 H new ATOM 0 HA LEU A 77 -4.856 -7.387 -18.194 1.00 60.00 H new ATOM 0 HB2 LEU A 77 -3.853 -7.735 -20.397 1.00 14.00 H new ATOM 0 HB3 LEU A 77 -3.044 -6.182 -20.331 1.00 14.00 H new ATOM 0 HG LEU A 77 -1.541 -7.021 -18.583 1.00 75.00 H new ATOM 0 HD11 LEU A 77 -1.473 -9.403 -18.052 1.00 44.00 H new ATOM 0 HD12 LEU A 77 -2.999 -8.647 -17.535 1.00 44.00 H new ATOM 0 HD13 LEU A 77 -2.956 -9.655 -19.002 1.00 44.00 H new ATOM 0 HD21 LEU A 77 -0.291 -8.583 -20.032 1.00 15.00 H new ATOM 0 HD22 LEU A 77 -1.736 -8.779 -21.052 1.00 15.00 H new ATOM 0 HD23 LEU A 77 -0.926 -7.197 -20.950 1.00 15.00 H new ATOM 1239 N GLN A 78 -3.508 -6.512 -16.412 1.00 14.00 N ATOM 1240 CA GLN A 78 -2.613 -6.054 -15.308 1.00 15.00 C ATOM 1241 C GLN A 78 -1.208 -5.760 -15.864 1.00 11.00 C ATOM 1242 O GLN A 78 -0.765 -4.613 -15.920 1.00 62.00 O ATOM 1243 CB GLN A 78 -2.424 -7.148 -14.214 1.00 30.00 C ATOM 1244 CG GLN A 78 -3.654 -7.566 -13.440 1.00 21.00 C ATOM 1245 CD GLN A 78 -4.315 -6.415 -12.731 1.00 63.00 C ATOM 1246 OE1 GLN A 78 -3.989 -6.087 -11.595 1.00 14.00 O ATOM 1247 NE2 GLN A 78 -5.264 -5.829 -13.365 1.00 52.00 N ATOM 0 H GLN A 78 -3.968 -7.404 -16.231 1.00 14.00 H new ATOM 0 HA GLN A 78 -3.083 -5.170 -14.877 1.00 15.00 H new ATOM 0 HB2 GLN A 78 -2.006 -8.035 -14.691 1.00 30.00 H new ATOM 0 HB3 GLN A 78 -1.681 -6.789 -13.501 1.00 30.00 H new ATOM 0 HG2 GLN A 78 -4.369 -8.025 -14.123 1.00 21.00 H new ATOM 0 HG3 GLN A 78 -3.377 -8.326 -12.710 1.00 21.00 H new ATOM 0 HE21 GLN A 78 -5.508 -6.129 -14.309 1.00 52.00 H new ATOM 0 HE22 GLN A 78 -5.775 -5.063 -12.925 1.00 52.00 H new ATOM 1256 N ASN A 79 -0.539 -6.834 -16.269 1.00 24.00 N ATOM 1257 CA ASN A 79 0.801 -6.875 -16.804 1.00 30.00 C ATOM 1258 C ASN A 79 1.021 -8.341 -16.952 1.00 64.00 C ATOM 1259 O ASN A 79 0.507 -9.088 -16.117 1.00 71.00 O ATOM 1260 CB ASN A 79 1.845 -6.321 -15.803 1.00 45.00 C ATOM 1261 CG ASN A 79 3.270 -6.311 -16.368 1.00 23.00 C ATOM 1262 OD1 ASN A 79 4.004 -7.299 -16.277 1.00 40.00 O ATOM 1263 ND2 ASN A 79 3.674 -5.202 -16.939 1.00 33.00 N ATOM 0 H ASN A 79 -0.958 -7.763 -16.225 1.00 24.00 H new ATOM 0 HA ASN A 79 0.907 -6.283 -17.713 1.00 30.00 H new ATOM 0 HB2 ASN A 79 1.565 -5.306 -15.519 1.00 45.00 H new ATOM 0 HB3 ASN A 79 1.824 -6.923 -14.895 1.00 45.00 H new ATOM 0 HD21 ASN A 79 4.617 -5.140 -17.322 1.00 33.00 H new ATOM 0 HD22 ASN A 79 3.045 -4.401 -17.000 1.00 33.00 H new ATOM 1270 N PRO A 80 1.659 -8.824 -18.014 1.00 54.00 N ATOM 1271 CA PRO A 80 1.872 -10.250 -18.167 1.00 43.00 C ATOM 1272 C PRO A 80 2.647 -10.900 -16.996 1.00 73.00 C ATOM 1273 O PRO A 80 2.435 -12.081 -16.674 1.00 4.00 O ATOM 1274 CB PRO A 80 2.592 -10.419 -19.494 1.00 40.00 C ATOM 1275 CG PRO A 80 2.972 -9.046 -19.942 1.00 40.00 C ATOM 1276 CD PRO A 80 2.113 -8.068 -19.189 1.00 32.00 C ATOM 0 HA PRO A 80 0.915 -10.772 -18.154 1.00 43.00 H new ATOM 0 HB2 PRO A 80 3.474 -11.049 -19.380 1.00 40.00 H new ATOM 0 HB3 PRO A 80 1.947 -10.903 -20.228 1.00 40.00 H new ATOM 0 HG2 PRO A 80 4.028 -8.858 -19.747 1.00 40.00 H new ATOM 0 HG3 PRO A 80 2.823 -8.939 -21.016 1.00 40.00 H new ATOM 0 HD2 PRO A 80 2.677 -7.182 -18.899 1.00 32.00 H new ATOM 0 HD3 PRO A 80 1.272 -7.727 -19.794 1.00 32.00 H new ATOM 1284 N GLN A 81 3.525 -10.160 -16.356 1.00 71.00 N ATOM 1285 CA GLN A 81 4.145 -10.660 -15.221 1.00 71.00 C ATOM 1286 C GLN A 81 3.514 -10.019 -14.015 1.00 23.00 C ATOM 1287 O GLN A 81 3.937 -8.968 -13.520 1.00 4.00 O ATOM 1288 CB GLN A 81 5.627 -10.485 -15.235 1.00 54.00 C ATOM 1289 CG GLN A 81 6.263 -11.152 -14.054 1.00 33.00 C ATOM 1290 CD GLN A 81 7.764 -11.021 -13.992 1.00 52.00 C ATOM 1291 OE1 GLN A 81 8.445 -10.927 -15.008 1.00 45.00 O ATOM 1292 NE2 GLN A 81 8.300 -11.034 -12.802 1.00 44.00 N ATOM 0 H GLN A 81 3.803 -9.217 -16.627 1.00 71.00 H new ATOM 0 HA GLN A 81 3.994 -11.739 -15.190 1.00 71.00 H new ATOM 0 HB2 GLN A 81 6.036 -10.902 -16.155 1.00 54.00 H new ATOM 0 HB3 GLN A 81 5.870 -9.423 -15.230 1.00 54.00 H new ATOM 0 HG2 GLN A 81 5.837 -10.732 -13.143 1.00 33.00 H new ATOM 0 HG3 GLN A 81 6.004 -12.211 -14.068 1.00 33.00 H new ATOM 0 HE21 GLN A 81 7.707 -11.113 -11.976 1.00 44.00 H new ATOM 0 HE22 GLN A 81 9.312 -10.965 -12.698 1.00 44.00 H new