USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 554 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 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 ASN :FLIP amide:sc= -2.87! C(o=-3.6!,f=-2.9!) USER MOD Single : A 6 SER OG : rot -59:sc= -6.85! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 47:sc= 0.247 USER MOD Single : A 19 ASN : amide:sc= -4.01! C(o=-4!,f=-4.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.558 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-4.2!) USER MOD Single : A 37 SER OG : rot -150:sc= 0.00165 USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -0.103 (180deg=-0.728) USER MOD Single : A 40 MET CE :methyl 161:sc= -0.0119 (180deg=-0.198) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= -0.0774 (180deg=-0.54) USER MOD Single : A 43 ASN :FLIP amide:sc= 0.834 F(o=0,f=0.83) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0368 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= 0.783 (180deg=0.37) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -1.29 (180deg=-1.66!) USER MOD Single : A 68 THR OG1 : rot -76:sc= 1.12 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 6 3.801 15.703 -4.316 1.00 0.00 N ATOM 78 CA SER A 6 4.030 17.105 -3.902 1.00 0.00 C ATOM 79 C SER A 6 4.595 17.158 -2.493 1.00 0.00 C ATOM 80 O SER A 6 4.511 16.193 -1.757 1.00 0.00 O ATOM 81 CB SER A 6 2.684 17.832 -3.931 1.00 0.00 C ATOM 82 OG SER A 6 2.661 18.450 -5.208 1.00 0.00 O ATOM 0 HA SER A 6 4.743 17.576 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.852 17.139 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.609 18.567 -3.129 1.00 0.00 H new ATOM 0 HG SER A 6 3.427 19.055 -5.292 1.00 0.00 H new ATOM 88 N PHE A 7 5.163 18.282 -2.126 1.00 0.00 N ATOM 89 CA PHE A 7 5.731 18.375 -0.756 1.00 0.00 C ATOM 90 C PHE A 7 6.502 19.671 -0.559 1.00 0.00 C ATOM 91 O PHE A 7 6.493 20.540 -1.406 1.00 0.00 O ATOM 92 CB PHE A 7 6.695 17.192 -0.545 1.00 0.00 C ATOM 93 CG PHE A 7 7.259 16.740 -1.897 1.00 0.00 C ATOM 94 CD1 PHE A 7 7.582 17.670 -2.870 1.00 0.00 C ATOM 95 CD2 PHE A 7 7.466 15.394 -2.159 1.00 0.00 C ATOM 96 CE1 PHE A 7 8.104 17.262 -4.082 1.00 0.00 C ATOM 97 CE2 PHE A 7 7.989 14.991 -3.372 1.00 0.00 C ATOM 98 CZ PHE A 7 8.306 15.925 -4.331 1.00 0.00 C ATOM 0 H PHE A 7 5.254 19.117 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 7 4.910 18.351 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.508 17.486 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.173 16.366 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.425 18.722 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.217 14.657 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.354 17.994 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.149 13.941 -3.568 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.714 15.608 -5.280 1.00 0.00 H new ATOM 108 N GLU A 8 7.167 19.771 0.561 1.00 0.00 N ATOM 109 CA GLU A 8 7.948 20.996 0.844 1.00 0.00 C ATOM 110 C GLU A 8 9.389 20.858 0.361 1.00 0.00 C ATOM 111 O GLU A 8 9.963 19.788 0.402 1.00 0.00 O ATOM 112 CB GLU A 8 7.960 21.212 2.364 1.00 0.00 C ATOM 113 CG GLU A 8 8.300 22.671 2.657 1.00 0.00 C ATOM 114 CD GLU A 8 7.007 23.498 2.670 1.00 0.00 C ATOM 115 OE1 GLU A 8 6.040 22.981 3.202 1.00 0.00 O ATOM 116 OE2 GLU A 8 7.062 24.599 2.148 1.00 0.00 O ATOM 0 H GLU A 8 7.199 19.055 1.287 1.00 0.00 H new ATOM 0 HA GLU A 8 7.489 21.836 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.988 20.960 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.692 20.554 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.808 22.753 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.985 23.056 1.901 1.00 0.00 H new ATOM 123 N MET A 9 9.946 21.951 -0.089 1.00 0.00 N ATOM 124 CA MET A 9 11.346 21.914 -0.580 1.00 0.00 C ATOM 125 C MET A 9 11.944 23.315 -0.580 1.00 0.00 C ATOM 126 O MET A 9 11.315 24.261 -1.010 1.00 0.00 O ATOM 127 CB MET A 9 11.350 21.369 -2.016 1.00 0.00 C ATOM 128 CG MET A 9 12.561 20.451 -2.196 1.00 0.00 C ATOM 129 SD MET A 9 14.201 21.197 -2.040 1.00 0.00 S ATOM 130 CE MET A 9 15.131 19.864 -2.836 1.00 0.00 C ATOM 0 H MET A 9 9.491 22.863 -0.136 1.00 0.00 H new ATOM 0 HA MET A 9 11.940 21.275 0.074 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.429 20.821 -2.213 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.391 22.191 -2.731 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.486 19.647 -1.464 1.00 0.00 H new ATOM 0 HG3 MET A 9 12.492 19.992 -3.182 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.191 20.118 -2.850 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.987 18.938 -2.280 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.776 19.733 -3.858 1.00 0.00 H new ATOM 140 N GLU A 10 13.147 23.424 -0.096 1.00 0.00 N ATOM 141 CA GLU A 10 13.800 24.756 -0.060 1.00 0.00 C ATOM 142 C GLU A 10 14.400 25.116 -1.414 1.00 0.00 C ATOM 143 O GLU A 10 14.935 24.274 -2.103 1.00 0.00 O ATOM 144 CB GLU A 10 14.928 24.703 0.978 1.00 0.00 C ATOM 145 CG GLU A 10 14.359 24.201 2.306 1.00 0.00 C ATOM 146 CD GLU A 10 15.511 23.861 3.255 1.00 0.00 C ATOM 147 OE1 GLU A 10 16.467 24.619 3.240 1.00 0.00 O ATOM 148 OE2 GLU A 10 15.370 22.862 3.941 1.00 0.00 O ATOM 0 H GLU A 10 13.703 22.653 0.274 1.00 0.00 H new ATOM 0 HA GLU A 10 13.054 25.509 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.724 24.042 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.368 25.692 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.719 24.962 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.738 23.321 2.139 1.00 0.00 H new ATOM 155 N GLY A 11 14.296 26.370 -1.769 1.00 0.00 N ATOM 156 CA GLY A 11 14.857 26.811 -3.077 1.00 0.00 C ATOM 157 C GLY A 11 15.310 28.263 -2.968 1.00 0.00 C ATOM 158 O GLY A 11 15.302 28.826 -1.890 1.00 0.00 O ATOM 0 H GLY A 11 13.851 27.101 -1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.697 26.176 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.106 26.710 -3.860 1.00 0.00 H new ATOM 162 N THR A 12 15.698 28.840 -4.080 1.00 0.00 N ATOM 163 CA THR A 12 16.154 30.258 -4.059 1.00 0.00 C ATOM 164 C THR A 12 15.273 31.096 -4.963 1.00 0.00 C ATOM 165 O THR A 12 14.688 30.585 -5.889 1.00 0.00 O ATOM 166 CB THR A 12 17.595 30.315 -4.574 1.00 0.00 C ATOM 167 OG1 THR A 12 18.163 29.068 -4.231 1.00 0.00 O ATOM 168 CG2 THR A 12 18.415 31.345 -3.784 1.00 0.00 C ATOM 0 H THR A 12 15.717 28.390 -4.995 1.00 0.00 H new ATOM 0 HA THR A 12 16.097 30.646 -3.042 1.00 0.00 H new ATOM 0 HB THR A 12 17.600 30.557 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.094 29.037 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.435 31.369 -4.167 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.963 32.331 -3.894 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.429 31.068 -2.730 1.00 0.00 H new ATOM 176 N VAL A 13 15.202 32.372 -4.686 1.00 0.00 N ATOM 177 CA VAL A 13 14.323 33.272 -5.564 1.00 0.00 C ATOM 178 C VAL A 13 15.086 34.189 -6.526 1.00 0.00 C ATOM 179 O VAL A 13 15.631 35.182 -6.106 1.00 0.00 O ATOM 180 CB VAL A 13 13.552 34.238 -4.648 1.00 0.00 C ATOM 181 CG1 VAL A 13 12.644 35.118 -5.510 1.00 0.00 C ATOM 182 CG2 VAL A 13 12.701 33.445 -3.655 1.00 0.00 C ATOM 0 H VAL A 13 15.689 32.839 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 13 13.710 32.583 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 13 14.257 34.859 -4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.092 35.807 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.251 35.685 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.942 34.490 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.158 34.135 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.991 32.823 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.347 32.811 -3.047 1.00 0.00 H new ATOM 192 N VAL A 14 15.075 33.883 -7.820 1.00 0.00 N ATOM 193 CA VAL A 14 15.797 34.772 -8.737 1.00 0.00 C ATOM 194 C VAL A 14 15.130 34.774 -10.116 1.00 0.00 C ATOM 195 O VAL A 14 15.551 34.114 -11.042 1.00 0.00 O ATOM 196 CB VAL A 14 17.237 34.247 -8.878 1.00 0.00 C ATOM 197 CG1 VAL A 14 18.212 35.428 -8.865 1.00 0.00 C ATOM 198 CG2 VAL A 14 17.558 33.315 -7.716 1.00 0.00 C ATOM 0 H VAL A 14 14.608 33.081 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 14 15.788 35.788 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 14 17.333 33.702 -9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.233 35.058 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.985 36.096 -9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.113 35.971 -7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.578 32.944 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.462 33.859 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.864 32.474 -7.722 1.00 0.00 H new ATOM 208 N ASP A 15 14.123 35.578 -10.188 1.00 0.00 N ATOM 209 CA ASP A 15 13.323 35.753 -11.436 1.00 0.00 C ATOM 210 C ASP A 15 12.121 36.620 -11.127 1.00 0.00 C ATOM 211 O ASP A 15 11.511 36.452 -10.085 1.00 0.00 O ATOM 212 CB ASP A 15 12.809 34.422 -11.947 1.00 0.00 C ATOM 213 CG ASP A 15 12.333 34.597 -13.391 1.00 0.00 C ATOM 214 OD1 ASP A 15 11.829 35.672 -13.668 1.00 0.00 O ATOM 215 OD2 ASP A 15 12.501 33.644 -14.135 1.00 0.00 O ATOM 0 H ASP A 15 13.801 36.148 -9.406 1.00 0.00 H new ATOM 0 HA ASP A 15 13.964 36.207 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.596 33.670 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.990 34.068 -11.320 1.00 0.00 H new ATOM 220 N THR A 16 11.771 37.495 -12.023 1.00 0.00 N ATOM 221 CA THR A 16 10.592 38.373 -11.766 1.00 0.00 C ATOM 222 C THR A 16 9.582 38.271 -12.886 1.00 0.00 C ATOM 223 O THR A 16 9.759 38.845 -13.944 1.00 0.00 O ATOM 224 CB THR A 16 11.071 39.815 -11.670 1.00 0.00 C ATOM 225 OG1 THR A 16 12.049 39.951 -12.682 1.00 0.00 O ATOM 226 CG2 THR A 16 11.830 40.050 -10.358 1.00 0.00 C ATOM 0 H THR A 16 12.243 37.643 -12.915 1.00 0.00 H new ATOM 0 HA THR A 16 10.116 38.055 -10.838 1.00 0.00 H new ATOM 0 HB THR A 16 10.222 40.494 -11.745 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.708 39.574 -13.520 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.163 41.087 -10.311 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.172 39.842 -9.515 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.695 39.389 -10.315 1.00 0.00 H new ATOM 234 N LEU A 17 8.532 37.543 -12.634 1.00 0.00 N ATOM 235 CA LEU A 17 7.500 37.389 -13.666 1.00 0.00 C ATOM 236 C LEU A 17 6.440 38.490 -13.526 1.00 0.00 C ATOM 237 O LEU A 17 6.409 39.194 -12.525 1.00 0.00 O ATOM 238 CB LEU A 17 6.860 36.026 -13.484 1.00 0.00 C ATOM 239 CG LEU A 17 7.753 34.997 -14.164 1.00 0.00 C ATOM 240 CD1 LEU A 17 7.687 35.170 -15.691 1.00 0.00 C ATOM 241 CD2 LEU A 17 9.195 35.195 -13.691 1.00 0.00 C ATOM 0 H LEU A 17 8.353 37.053 -11.757 1.00 0.00 H new ATOM 0 HA LEU A 17 7.944 37.472 -14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.749 35.795 -12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.861 36.012 -13.920 1.00 0.00 H new ATOM 0 HG LEU A 17 7.411 33.995 -13.905 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.329 34.430 -16.169 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.660 35.032 -16.029 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.026 36.171 -15.959 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.840 34.461 -14.174 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.529 36.199 -13.952 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.244 35.066 -12.610 1.00 0.00 H new ATOM 253 N PRO A 18 5.541 38.598 -14.502 1.00 0.00 N ATOM 254 CA PRO A 18 4.507 39.614 -14.445 1.00 0.00 C ATOM 255 C PRO A 18 3.223 39.034 -13.907 1.00 0.00 C ATOM 256 O PRO A 18 3.058 37.833 -13.857 1.00 0.00 O ATOM 257 CB PRO A 18 4.279 39.988 -15.922 1.00 0.00 C ATOM 258 CG PRO A 18 4.897 38.827 -16.774 1.00 0.00 C ATOM 259 CD PRO A 18 5.602 37.874 -15.784 1.00 0.00 C ATOM 0 HA PRO A 18 4.792 40.451 -13.808 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.216 40.102 -16.134 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.755 40.939 -16.159 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.122 38.301 -17.331 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.605 39.218 -17.505 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.095 36.911 -15.725 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.631 37.675 -16.083 1.00 0.00 H new ATOM 267 N ASN A 19 2.348 39.905 -13.489 1.00 0.00 N ATOM 268 CA ASN A 19 1.055 39.451 -12.936 1.00 0.00 C ATOM 269 C ASN A 19 1.266 38.981 -11.507 1.00 0.00 C ATOM 270 O ASN A 19 0.517 38.178 -10.991 1.00 0.00 O ATOM 271 CB ASN A 19 0.495 38.289 -13.789 1.00 0.00 C ATOM 272 CG ASN A 19 0.960 38.444 -15.243 1.00 0.00 C ATOM 273 OD1 ASN A 19 0.928 39.520 -15.808 1.00 0.00 O ATOM 274 ND2 ASN A 19 1.394 37.393 -15.885 1.00 0.00 N ATOM 0 H ASN A 19 2.479 40.916 -13.509 1.00 0.00 H new ATOM 0 HA ASN A 19 0.342 40.275 -12.952 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.835 37.334 -13.388 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.594 38.284 -13.744 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.703 37.478 -16.853 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.424 36.487 -15.418 1.00 0.00 H new ATOM 281 N THR A 20 2.316 39.500 -10.902 1.00 0.00 N ATOM 282 CA THR A 20 2.641 39.127 -9.498 1.00 0.00 C ATOM 283 C THR A 20 3.161 37.695 -9.400 1.00 0.00 C ATOM 284 O THR A 20 2.557 36.857 -8.762 1.00 0.00 O ATOM 285 CB THR A 20 1.361 39.262 -8.650 1.00 0.00 C ATOM 286 OG1 THR A 20 0.653 40.341 -9.223 1.00 0.00 O ATOM 287 CG2 THR A 20 1.677 39.737 -7.214 1.00 0.00 C ATOM 0 H THR A 20 2.958 40.167 -11.329 1.00 0.00 H new ATOM 0 HA THR A 20 3.425 39.791 -9.134 1.00 0.00 H new ATOM 0 HB THR A 20 0.842 38.304 -8.624 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.182 40.484 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.750 39.821 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.336 39.017 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.168 40.709 -7.252 1.00 0.00 H new ATOM 295 N MET A 21 4.278 37.436 -10.037 1.00 0.00 N ATOM 296 CA MET A 21 4.836 36.059 -9.977 1.00 0.00 C ATOM 297 C MET A 21 6.360 36.096 -10.035 1.00 0.00 C ATOM 298 O MET A 21 6.948 37.070 -10.458 1.00 0.00 O ATOM 299 CB MET A 21 4.312 35.257 -11.188 1.00 0.00 C ATOM 300 CG MET A 21 2.780 35.193 -11.141 1.00 0.00 C ATOM 301 SD MET A 21 2.021 34.361 -9.725 1.00 0.00 S ATOM 302 CE MET A 21 0.469 33.903 -10.539 1.00 0.00 C ATOM 0 H MET A 21 4.815 38.108 -10.585 1.00 0.00 H new ATOM 0 HA MET A 21 4.528 35.592 -9.042 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.638 35.727 -12.116 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.728 34.250 -11.177 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.400 36.214 -11.175 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.436 34.695 -12.048 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.167 33.367 -9.834 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.043 34.803 -10.878 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.682 33.262 -11.395 1.00 0.00 H new ATOM 312 N PHE A 22 6.970 35.031 -9.597 1.00 0.00 N ATOM 313 CA PHE A 22 8.447 34.966 -9.611 1.00 0.00 C ATOM 314 C PHE A 22 8.879 33.523 -9.825 1.00 0.00 C ATOM 315 O PHE A 22 8.068 32.625 -9.710 1.00 0.00 O ATOM 316 CB PHE A 22 8.966 35.439 -8.243 1.00 0.00 C ATOM 317 CG PHE A 22 8.114 36.612 -7.757 1.00 0.00 C ATOM 318 CD1 PHE A 22 6.885 36.390 -7.156 1.00 0.00 C ATOM 319 CD2 PHE A 22 8.558 37.912 -7.913 1.00 0.00 C ATOM 320 CE1 PHE A 22 6.118 37.451 -6.721 1.00 0.00 C ATOM 321 CE2 PHE A 22 7.790 38.970 -7.476 1.00 0.00 C ATOM 322 CZ PHE A 22 6.572 38.740 -6.882 1.00 0.00 C ATOM 0 H PHE A 22 6.503 34.202 -9.230 1.00 0.00 H new ATOM 0 HA PHE A 22 8.844 35.594 -10.409 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.924 34.622 -7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.010 35.741 -8.322 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.525 35.380 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.513 38.100 -8.381 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.161 37.270 -6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.146 39.982 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.971 39.571 -6.542 1.00 0.00 H new ATOM 332 N ARG A 23 10.142 33.314 -10.133 1.00 0.00 N ATOM 333 CA ARG A 23 10.616 31.901 -10.352 1.00 0.00 C ATOM 334 C ARG A 23 11.581 31.494 -9.270 1.00 0.00 C ATOM 335 O ARG A 23 12.501 32.233 -8.950 1.00 0.00 O ATOM 336 CB ARG A 23 11.367 31.802 -11.701 1.00 0.00 C ATOM 337 CG ARG A 23 11.301 30.370 -12.239 1.00 0.00 C ATOM 338 CD ARG A 23 9.924 30.109 -12.862 1.00 0.00 C ATOM 339 NE ARG A 23 9.931 30.590 -14.272 1.00 0.00 N ATOM 340 CZ ARG A 23 10.637 29.951 -15.166 1.00 0.00 C ATOM 341 NH1 ARG A 23 11.897 30.258 -15.315 1.00 0.00 N ATOM 342 NH2 ARG A 23 10.058 29.029 -15.886 1.00 0.00 N ATOM 0 H ARG A 23 10.851 34.040 -10.241 1.00 0.00 H new ATOM 0 HA ARG A 23 9.741 31.250 -10.343 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.926 32.490 -12.422 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.407 32.101 -11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.082 30.216 -12.984 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.485 29.660 -11.432 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.691 29.045 -12.828 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.150 30.623 -12.293 1.00 0.00 H new ATOM 0 HE ARG A 23 9.389 31.412 -14.537 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.316 30.987 -14.738 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.463 29.769 -16.009 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.070 28.818 -15.746 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.594 28.520 -16.589 1.00 0.00 H new ATOM 356 N VAL A 24 11.372 30.325 -8.725 1.00 0.00 N ATOM 357 CA VAL A 24 12.252 29.856 -7.681 1.00 0.00 C ATOM 358 C VAL A 24 13.137 28.838 -8.303 1.00 0.00 C ATOM 359 O VAL A 24 12.670 27.938 -8.975 1.00 0.00 O ATOM 360 CB VAL A 24 11.420 29.203 -6.597 1.00 0.00 C ATOM 361 CG1 VAL A 24 11.376 30.113 -5.370 1.00 0.00 C ATOM 362 CG2 VAL A 24 10.028 28.996 -7.116 1.00 0.00 C ATOM 0 H VAL A 24 10.616 29.689 -8.978 1.00 0.00 H new ATOM 0 HA VAL A 24 12.831 30.669 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 24 11.859 28.245 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.777 29.643 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.389 30.276 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.931 31.070 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.418 28.526 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.593 29.959 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.059 28.353 -7.995 1.00 0.00 H new ATOM 372 N GLU A 25 14.366 28.971 -8.073 1.00 0.00 N ATOM 373 CA GLU A 25 15.307 28.009 -8.661 1.00 0.00 C ATOM 374 C GLU A 25 15.644 26.870 -7.733 1.00 0.00 C ATOM 375 O GLU A 25 16.205 27.041 -6.668 1.00 0.00 O ATOM 376 CB GLU A 25 16.598 28.747 -9.011 1.00 0.00 C ATOM 377 CG GLU A 25 16.356 29.617 -10.242 1.00 0.00 C ATOM 378 CD GLU A 25 17.694 30.162 -10.748 1.00 0.00 C ATOM 379 OE1 GLU A 25 18.546 30.373 -9.901 1.00 0.00 O ATOM 380 OE2 GLU A 25 17.788 30.333 -11.952 1.00 0.00 O ATOM 0 H GLU A 25 14.783 29.705 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 25 14.828 27.581 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.918 29.364 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.398 28.033 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.869 29.034 -11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.686 30.440 -9.994 1.00 0.00 H new ATOM 387 N LEU A 26 15.276 25.745 -8.184 1.00 0.00 N ATOM 388 CA LEU A 26 15.493 24.507 -7.484 1.00 0.00 C ATOM 389 C LEU A 26 16.524 23.832 -8.327 1.00 0.00 C ATOM 390 O LEU A 26 16.495 22.639 -8.548 1.00 0.00 O ATOM 391 CB LEU A 26 14.182 23.703 -7.423 1.00 0.00 C ATOM 392 CG LEU A 26 13.200 24.472 -6.536 1.00 0.00 C ATOM 393 CD1 LEU A 26 11.792 24.367 -7.112 1.00 0.00 C ATOM 394 CD2 LEU A 26 13.214 23.872 -5.130 1.00 0.00 C ATOM 0 H LEU A 26 14.798 25.632 -9.078 1.00 0.00 H new ATOM 0 HA LEU A 26 15.813 24.624 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.769 23.570 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.363 22.708 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 26 13.496 25.520 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.097 24.916 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.777 24.790 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.494 23.319 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.516 24.417 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.918 22.824 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.218 23.947 -4.713 1.00 0.00 H new ATOM 406 N GLU A 27 17.391 24.717 -8.872 1.00 0.00 N ATOM 407 CA GLU A 27 18.509 24.304 -9.769 1.00 0.00 C ATOM 408 C GLU A 27 19.132 23.021 -9.354 1.00 0.00 C ATOM 409 O GLU A 27 20.003 22.512 -10.034 1.00 0.00 O ATOM 410 CB GLU A 27 19.581 25.403 -9.733 1.00 0.00 C ATOM 411 CG GLU A 27 19.873 25.773 -8.279 1.00 0.00 C ATOM 412 CD GLU A 27 21.170 26.584 -8.214 1.00 0.00 C ATOM 413 OE1 GLU A 27 21.378 27.349 -9.142 1.00 0.00 O ATOM 414 OE2 GLU A 27 21.881 26.392 -7.241 1.00 0.00 O ATOM 0 H GLU A 27 17.342 25.723 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 27 18.102 24.161 -10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.491 25.056 -10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.238 26.280 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.047 26.352 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 27 19.964 24.871 -7.673 1.00 0.00 H new ATOM 421 N ASN A 28 18.720 22.507 -8.258 1.00 0.00 N ATOM 422 CA ASN A 28 19.289 21.247 -7.840 1.00 0.00 C ATOM 423 C ASN A 28 18.706 20.228 -8.830 1.00 0.00 C ATOM 424 O ASN A 28 18.578 19.053 -8.550 1.00 0.00 O ATOM 425 CB ASN A 28 18.812 20.920 -6.412 1.00 0.00 C ATOM 426 CG ASN A 28 17.283 20.821 -6.397 1.00 0.00 C ATOM 427 OD1 ASN A 28 16.693 19.979 -7.203 1.00 0.00 O flip ATOM 428 ND2 ASN A 28 16.614 21.508 -5.651 1.00 0.00 N flip ATOM 0 H ASN A 28 18.015 22.908 -7.639 1.00 0.00 H new ATOM 0 HA ASN A 28 20.379 21.250 -7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.252 19.981 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 28 19.144 21.693 -5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.069 22.167 -5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.597 21.426 -5.656 1.00 0.00 H new ATOM 435 N GLY A 29 18.361 20.768 -10.007 1.00 0.00 N ATOM 436 CA GLY A 29 17.779 19.969 -11.097 1.00 0.00 C ATOM 437 C GLY A 29 16.322 20.438 -11.396 1.00 0.00 C ATOM 438 O GLY A 29 15.746 20.020 -12.382 1.00 0.00 O ATOM 0 H GLY A 29 18.475 21.757 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.390 20.066 -11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.779 18.914 -10.823 1.00 0.00 H new ATOM 442 N HIS A 30 15.753 21.307 -10.534 1.00 0.00 N ATOM 443 CA HIS A 30 14.342 21.783 -10.787 1.00 0.00 C ATOM 444 C HIS A 30 14.184 23.331 -10.850 1.00 0.00 C ATOM 445 O HIS A 30 14.956 24.071 -10.297 1.00 0.00 O ATOM 446 CB HIS A 30 13.462 21.257 -9.646 1.00 0.00 C ATOM 447 CG HIS A 30 12.961 19.858 -10.010 1.00 0.00 C ATOM 448 ND1 HIS A 30 12.037 19.618 -10.816 1.00 0.00 N ATOM 449 CD2 HIS A 30 13.394 18.623 -9.567 1.00 0.00 C ATOM 450 CE1 HIS A 30 11.835 18.372 -10.933 1.00 0.00 C ATOM 451 NE2 HIS A 30 12.657 17.650 -10.171 1.00 0.00 N ATOM 0 H HIS A 30 16.201 21.685 -9.700 1.00 0.00 H new ATOM 0 HA HIS A 30 14.051 21.405 -11.767 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.030 21.224 -8.716 1.00 0.00 H new ATOM 0 HB3 HIS A 30 12.619 21.928 -9.480 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.189 18.456 -8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.082 17.943 -11.577 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.718 16.637 -10.068 1.00 0.00 H new ATOM 459 N VAL A 31 13.210 23.757 -11.606 1.00 0.00 N ATOM 460 CA VAL A 31 12.921 25.222 -11.761 1.00 0.00 C ATOM 461 C VAL A 31 11.406 25.386 -11.533 1.00 0.00 C ATOM 462 O VAL A 31 10.649 24.580 -12.039 1.00 0.00 O ATOM 463 CB VAL A 31 13.273 25.646 -13.198 1.00 0.00 C ATOM 464 CG1 VAL A 31 12.116 25.290 -14.140 1.00 0.00 C ATOM 465 CG2 VAL A 31 13.508 27.158 -13.237 1.00 0.00 C ATOM 0 H VAL A 31 12.588 23.145 -12.134 1.00 0.00 H new ATOM 0 HA VAL A 31 13.496 25.830 -11.063 1.00 0.00 H new ATOM 0 HB VAL A 31 14.175 25.124 -13.518 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.369 25.592 -15.157 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.943 24.214 -14.113 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.213 25.811 -13.821 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.758 27.461 -14.254 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.604 27.675 -12.916 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.330 27.416 -12.569 1.00 0.00 H new ATOM 475 N VAL A 32 10.959 26.385 -10.793 1.00 0.00 N ATOM 476 CA VAL A 32 9.482 26.491 -10.604 1.00 0.00 C ATOM 477 C VAL A 32 9.009 27.904 -10.460 1.00 0.00 C ATOM 478 O VAL A 32 9.768 28.815 -10.264 1.00 0.00 O ATOM 479 CB VAL A 32 9.106 25.761 -9.348 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.597 25.733 -9.216 1.00 0.00 C ATOM 481 CG2 VAL A 32 9.637 24.324 -9.401 1.00 0.00 C ATOM 0 H VAL A 32 11.528 27.096 -10.335 1.00 0.00 H new ATOM 0 HA VAL A 32 9.016 26.065 -11.493 1.00 0.00 H new ATOM 0 HB VAL A 32 9.542 26.274 -8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.321 25.203 -8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.217 26.754 -9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.166 25.222 -10.077 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.360 23.800 -8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.206 23.808 -10.259 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.723 24.341 -9.496 1.00 0.00 H new ATOM 491 N THR A 33 7.734 28.030 -10.516 1.00 0.00 N ATOM 492 CA THR A 33 7.103 29.353 -10.392 1.00 0.00 C ATOM 493 C THR A 33 6.418 29.451 -9.056 1.00 0.00 C ATOM 494 O THR A 33 5.699 28.549 -8.667 1.00 0.00 O ATOM 495 CB THR A 33 6.062 29.494 -11.495 1.00 0.00 C ATOM 496 OG1 THR A 33 6.790 29.437 -12.706 1.00 0.00 O ATOM 497 CG2 THR A 33 5.435 30.895 -11.485 1.00 0.00 C ATOM 0 H THR A 33 7.083 27.255 -10.646 1.00 0.00 H new ATOM 0 HA THR A 33 7.854 30.138 -10.476 1.00 0.00 H new ATOM 0 HB THR A 33 5.291 28.733 -11.372 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.173 29.521 -13.463 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.695 30.968 -12.282 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.951 31.070 -10.524 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.213 31.643 -11.641 1.00 0.00 H new ATOM 505 N ALA A 34 6.649 30.534 -8.367 1.00 0.00 N ATOM 506 CA ALA A 34 6.014 30.698 -7.047 1.00 0.00 C ATOM 507 C ALA A 34 5.383 32.062 -6.915 1.00 0.00 C ATOM 508 O ALA A 34 5.497 32.894 -7.792 1.00 0.00 O ATOM 509 CB ALA A 34 7.099 30.554 -5.972 1.00 0.00 C ATOM 0 H ALA A 34 7.248 31.304 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 34 5.236 29.943 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.651 30.672 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.557 29.568 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.861 31.320 -6.119 1.00 0.00 H new ATOM 515 N HIS A 35 4.725 32.260 -5.819 1.00 0.00 N ATOM 516 CA HIS A 35 4.068 33.554 -5.580 1.00 0.00 C ATOM 517 C HIS A 35 4.191 33.908 -4.106 1.00 0.00 C ATOM 518 O HIS A 35 4.038 33.050 -3.251 1.00 0.00 O ATOM 519 CB HIS A 35 2.577 33.415 -5.938 1.00 0.00 C ATOM 520 CG HIS A 35 1.766 34.434 -5.136 1.00 0.00 C ATOM 521 ND1 HIS A 35 1.373 34.269 -3.963 1.00 0.00 N ATOM 522 CD2 HIS A 35 1.322 35.690 -5.499 1.00 0.00 C ATOM 523 CE1 HIS A 35 0.731 35.277 -3.541 1.00 0.00 C ATOM 524 NE2 HIS A 35 0.645 36.243 -4.456 1.00 0.00 N ATOM 0 H HIS A 35 4.615 31.573 -5.074 1.00 0.00 H new ATOM 0 HA HIS A 35 4.533 34.332 -6.186 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.431 33.577 -7.006 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.231 32.405 -5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.486 36.159 -6.458 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.302 35.346 -2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.192 37.155 -4.391 1.00 0.00 H new ATOM 532 N ILE A 36 4.469 35.149 -3.828 1.00 0.00 N ATOM 533 CA ILE A 36 4.605 35.562 -2.412 1.00 0.00 C ATOM 534 C ILE A 36 3.314 36.203 -1.909 1.00 0.00 C ATOM 535 O ILE A 36 2.613 36.858 -2.654 1.00 0.00 O ATOM 536 CB ILE A 36 5.728 36.591 -2.321 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.934 37.000 -0.871 1.00 0.00 C ATOM 538 CG2 ILE A 36 5.320 37.833 -3.130 1.00 0.00 C ATOM 539 CD1 ILE A 36 7.083 38.007 -0.794 1.00 0.00 C ATOM 0 H ILE A 36 4.607 35.889 -4.517 1.00 0.00 H new ATOM 0 HA ILE A 36 4.822 34.685 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 36 6.650 36.162 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.021 37.440 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.159 36.125 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.113 38.579 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.157 37.552 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.401 38.249 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.237 38.305 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.994 37.549 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.838 38.885 -1.391 1.00 0.00 H new ATOM 551 N SER A 37 3.026 36.004 -0.652 1.00 0.00 N ATOM 552 CA SER A 37 1.788 36.592 -0.082 1.00 0.00 C ATOM 553 C SER A 37 1.766 38.106 -0.260 1.00 0.00 C ATOM 554 O SER A 37 2.769 38.711 -0.588 1.00 0.00 O ATOM 555 CB SER A 37 1.752 36.275 1.418 1.00 0.00 C ATOM 556 OG SER A 37 3.041 36.649 1.882 1.00 0.00 O ATOM 0 H SER A 37 3.593 35.462 -0.000 1.00 0.00 H new ATOM 0 HA SER A 37 0.926 36.170 -0.599 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.967 36.836 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.555 35.218 1.597 1.00 0.00 H new ATOM 0 HG SER A 37 3.290 36.086 2.645 1.00 0.00 H new ATOM 562 N GLY A 38 0.619 38.691 -0.040 1.00 0.00 N ATOM 563 CA GLY A 38 0.509 40.170 -0.190 1.00 0.00 C ATOM 564 C GLY A 38 1.056 40.870 1.056 1.00 0.00 C ATOM 565 O GLY A 38 1.203 42.076 1.080 1.00 0.00 O ATOM 0 H GLY A 38 -0.239 38.213 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.062 40.496 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.533 40.451 -0.346 1.00 0.00 H new ATOM 569 N LYS A 39 1.346 40.099 2.067 1.00 0.00 N ATOM 570 CA LYS A 39 1.882 40.702 3.312 1.00 0.00 C ATOM 571 C LYS A 39 2.993 41.697 3.001 1.00 0.00 C ATOM 572 O LYS A 39 2.944 42.840 3.415 1.00 0.00 O ATOM 573 CB LYS A 39 2.461 39.577 4.186 1.00 0.00 C ATOM 574 CG LYS A 39 1.317 38.705 4.707 1.00 0.00 C ATOM 575 CD LYS A 39 1.893 37.414 5.300 1.00 0.00 C ATOM 576 CE LYS A 39 2.469 37.710 6.688 1.00 0.00 C ATOM 577 NZ LYS A 39 1.383 38.090 7.636 1.00 0.00 N ATOM 0 H LYS A 39 1.235 39.085 2.083 1.00 0.00 H new ATOM 0 HA LYS A 39 1.077 41.227 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.160 38.973 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.021 40.000 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.749 39.245 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.626 38.470 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.115 36.654 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.670 37.015 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.997 36.833 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.199 38.517 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.669 37.848 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.208 39.113 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.513 37.575 7.392 1.00 0.00 H new ATOM 591 N MET A 40 3.975 41.246 2.273 1.00 0.00 N ATOM 592 CA MET A 40 5.096 42.150 1.924 1.00 0.00 C ATOM 593 C MET A 40 4.598 43.383 1.183 1.00 0.00 C ATOM 594 O MET A 40 4.918 44.498 1.544 1.00 0.00 O ATOM 595 CB MET A 40 6.070 41.383 1.020 1.00 0.00 C ATOM 596 CG MET A 40 6.490 40.091 1.726 1.00 0.00 C ATOM 597 SD MET A 40 5.999 39.892 3.459 1.00 0.00 S ATOM 598 CE MET A 40 7.399 40.771 4.199 1.00 0.00 C ATOM 0 H MET A 40 4.047 40.296 1.908 1.00 0.00 H new ATOM 0 HA MET A 40 5.586 42.477 2.841 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.597 41.154 0.065 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.945 41.996 0.803 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.084 39.251 1.162 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.576 40.015 1.673 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.146 41.066 5.217 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.271 40.117 4.216 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.623 41.660 3.609 1.00 0.00 H new ATOM 608 N ARG A 41 3.822 43.165 0.158 1.00 0.00 N ATOM 609 CA ARG A 41 3.299 44.321 -0.611 1.00 0.00 C ATOM 610 C ARG A 41 2.784 45.395 0.335 1.00 0.00 C ATOM 611 O ARG A 41 2.898 46.574 0.066 1.00 0.00 O ATOM 612 CB ARG A 41 2.139 43.837 -1.496 1.00 0.00 C ATOM 613 CG ARG A 41 2.675 42.833 -2.515 1.00 0.00 C ATOM 614 CD ARG A 41 3.224 43.593 -3.723 1.00 0.00 C ATOM 615 NE ARG A 41 2.173 43.650 -4.778 1.00 0.00 N ATOM 616 CZ ARG A 41 1.940 44.779 -5.392 1.00 0.00 C ATOM 617 NH1 ARG A 41 2.848 45.716 -5.355 1.00 0.00 N ATOM 618 NH2 ARG A 41 0.808 44.933 -6.020 1.00 0.00 N ATOM 0 H ARG A 41 3.531 42.246 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 41 4.099 44.740 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.366 43.374 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.678 44.682 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.459 42.223 -2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.882 42.153 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.520 44.601 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.116 43.097 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 41 1.640 42.814 -5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.722 45.560 -4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.684 46.604 -5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.122 44.179 -6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.609 45.808 -6.505 1.00 0.00 H new ATOM 632 N LYS A 42 2.226 44.961 1.430 1.00 0.00 N ATOM 633 CA LYS A 42 1.698 45.914 2.410 1.00 0.00 C ATOM 634 C LYS A 42 2.820 46.560 3.212 1.00 0.00 C ATOM 635 O LYS A 42 2.701 47.687 3.647 1.00 0.00 O ATOM 636 CB LYS A 42 0.794 45.137 3.372 1.00 0.00 C ATOM 637 CG LYS A 42 -0.249 46.084 3.942 1.00 0.00 C ATOM 638 CD LYS A 42 -0.798 45.506 5.252 1.00 0.00 C ATOM 639 CE LYS A 42 -1.839 44.431 4.929 1.00 0.00 C ATOM 640 NZ LYS A 42 -3.065 45.048 4.351 1.00 0.00 N ATOM 0 H LYS A 42 2.118 43.978 1.679 1.00 0.00 H new ATOM 0 HA LYS A 42 1.154 46.701 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.309 44.312 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.386 44.701 4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.193 47.064 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.059 46.225 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.012 45.079 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.248 46.297 5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.421 43.711 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.094 43.880 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.881 44.428 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.231 45.973 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.940 45.175 3.326 1.00 0.00 H new ATOM 654 N ASN A 43 3.896 45.835 3.392 1.00 0.00 N ATOM 655 CA ASN A 43 5.034 46.401 4.167 1.00 0.00 C ATOM 656 C ASN A 43 6.078 47.022 3.250 1.00 0.00 C ATOM 657 O ASN A 43 7.190 47.281 3.663 1.00 0.00 O ATOM 658 CB ASN A 43 5.691 45.266 4.966 1.00 0.00 C ATOM 659 CG ASN A 43 4.747 44.823 6.083 1.00 0.00 C ATOM 660 OD1 ASN A 43 4.937 45.280 7.290 1.00 0.00 O flip ATOM 661 ND2 ASN A 43 3.827 44.060 5.868 1.00 0.00 N flip ATOM 0 H ASN A 43 4.032 44.888 3.039 1.00 0.00 H new ATOM 0 HA ASN A 43 4.652 47.180 4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.915 44.426 4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.638 45.603 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.673 43.699 4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.208 43.780 6.629 1.00 0.00 H new ATOM 668 N TYR A 44 5.701 47.257 2.026 1.00 0.00 N ATOM 669 CA TYR A 44 6.663 47.862 1.069 1.00 0.00 C ATOM 670 C TYR A 44 8.042 47.224 1.202 1.00 0.00 C ATOM 671 O TYR A 44 8.163 46.109 1.661 1.00 0.00 O ATOM 672 CB TYR A 44 6.780 49.367 1.383 1.00 0.00 C ATOM 673 CG TYR A 44 5.434 49.886 1.908 1.00 0.00 C ATOM 674 CD1 TYR A 44 4.426 50.238 1.030 1.00 0.00 C ATOM 675 CD2 TYR A 44 5.214 50.019 3.265 1.00 0.00 C ATOM 676 CE1 TYR A 44 3.220 50.716 1.503 1.00 0.00 C ATOM 677 CE2 TYR A 44 4.006 50.497 3.737 1.00 0.00 C ATOM 678 CZ TYR A 44 3.001 50.849 2.859 1.00 0.00 C ATOM 679 OH TYR A 44 1.794 51.328 3.331 1.00 0.00 O ATOM 0 H TYR A 44 4.774 47.058 1.649 1.00 0.00 H new ATOM 0 HA TYR A 44 6.302 47.698 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.561 49.535 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.069 49.915 0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.583 50.138 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.992 49.747 3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.441 50.988 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.847 50.596 4.801 1.00 0.00 H new ATOM 0 HH TYR A 44 1.813 51.355 4.310 1.00 0.00 H new ATOM 689 N ILE A 45 9.051 47.960 0.788 1.00 0.00 N ATOM 690 CA ILE A 45 10.455 47.454 0.862 1.00 0.00 C ATOM 691 C ILE A 45 10.538 45.935 0.672 1.00 0.00 C ATOM 692 O ILE A 45 10.470 45.177 1.619 1.00 0.00 O ATOM 693 CB ILE A 45 10.995 47.836 2.235 1.00 0.00 C ATOM 694 CG1 ILE A 45 11.461 49.285 2.207 1.00 0.00 C ATOM 695 CG2 ILE A 45 12.203 46.939 2.589 1.00 0.00 C ATOM 696 CD1 ILE A 45 11.507 49.834 3.638 1.00 0.00 C ATOM 0 H ILE A 45 8.956 48.898 0.399 1.00 0.00 H new ATOM 0 HA ILE A 45 11.042 47.898 0.058 1.00 0.00 H new ATOM 0 HB ILE A 45 10.207 47.706 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.447 49.352 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.784 49.884 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.586 47.215 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.890 45.895 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.987 47.073 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.841 50.872 3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.512 49.781 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.201 49.241 4.233 1.00 0.00 H new ATOM 708 N ARG A 46 10.704 45.525 -0.555 1.00 0.00 N ATOM 709 CA ARG A 46 10.795 44.071 -0.833 1.00 0.00 C ATOM 710 C ARG A 46 12.184 43.536 -0.497 1.00 0.00 C ATOM 711 O ARG A 46 13.095 44.290 -0.223 1.00 0.00 O ATOM 712 CB ARG A 46 10.529 43.851 -2.329 1.00 0.00 C ATOM 713 CG ARG A 46 9.421 44.800 -2.788 1.00 0.00 C ATOM 714 CD ARG A 46 8.524 44.072 -3.786 1.00 0.00 C ATOM 715 NE ARG A 46 9.311 43.775 -5.014 1.00 0.00 N ATOM 716 CZ ARG A 46 8.704 43.294 -6.064 1.00 0.00 C ATOM 717 NH1 ARG A 46 8.179 44.124 -6.923 1.00 0.00 N ATOM 718 NH2 ARG A 46 8.640 42.000 -6.218 1.00 0.00 N ATOM 0 H ARG A 46 10.780 46.133 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 46 10.064 43.545 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.438 44.030 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.237 42.817 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.836 45.137 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.853 45.688 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.145 43.148 -3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.658 44.686 -4.033 1.00 0.00 H new ATOM 0 HE ARG A 46 10.316 43.946 -5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.247 45.130 -6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.700 43.767 -7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.061 41.382 -5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.169 41.606 -7.033 1.00 0.00 H new ATOM 732 N ILE A 47 12.316 42.236 -0.526 1.00 0.00 N ATOM 733 CA ILE A 47 13.631 41.620 -0.213 1.00 0.00 C ATOM 734 C ILE A 47 14.489 41.490 -1.467 1.00 0.00 C ATOM 735 O ILE A 47 13.977 41.312 -2.555 1.00 0.00 O ATOM 736 CB ILE A 47 13.388 40.225 0.355 1.00 0.00 C ATOM 737 CG1 ILE A 47 12.359 40.296 1.478 1.00 0.00 C ATOM 738 CG2 ILE A 47 14.712 39.693 0.930 1.00 0.00 C ATOM 739 CD1 ILE A 47 12.724 41.442 2.424 1.00 0.00 C ATOM 0 H ILE A 47 11.570 41.579 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 47 14.153 42.254 0.503 1.00 0.00 H new ATOM 0 HB ILE A 47 13.020 39.568 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.363 40.453 1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.333 39.353 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.556 38.695 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.460 39.646 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.060 40.360 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.991 41.497 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.713 41.265 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.728 42.382 1.872 1.00 0.00 H new ATOM 751 N LEU A 48 15.780 41.579 -1.294 1.00 0.00 N ATOM 752 CA LEU A 48 16.683 41.462 -2.466 1.00 0.00 C ATOM 753 C LEU A 48 16.449 40.142 -3.203 1.00 0.00 C ATOM 754 O LEU A 48 15.716 39.290 -2.742 1.00 0.00 O ATOM 755 CB LEU A 48 18.137 41.494 -1.966 1.00 0.00 C ATOM 756 CG LEU A 48 18.447 42.879 -1.389 1.00 0.00 C ATOM 757 CD1 LEU A 48 19.766 42.818 -0.613 1.00 0.00 C ATOM 758 CD2 LEU A 48 18.583 43.884 -2.536 1.00 0.00 C ATOM 0 H LEU A 48 16.243 41.727 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 48 16.484 42.287 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 18.288 40.729 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.820 41.268 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 48 17.642 43.188 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.991 43.801 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.678 42.096 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.569 42.514 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.804 44.871 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.392 43.574 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.650 43.923 -3.098 1.00 0.00 H new ATOM 770 N THR A 49 17.080 40.002 -4.339 1.00 0.00 N ATOM 771 CA THR A 49 16.916 38.751 -5.130 1.00 0.00 C ATOM 772 C THR A 49 17.686 37.601 -4.530 1.00 0.00 C ATOM 773 O THR A 49 18.724 37.761 -3.919 1.00 0.00 O ATOM 774 CB THR A 49 17.438 39.005 -6.547 1.00 0.00 C ATOM 775 OG1 THR A 49 16.803 38.040 -7.359 1.00 0.00 O ATOM 776 CG2 THR A 49 18.935 38.670 -6.645 1.00 0.00 C ATOM 0 H THR A 49 17.700 40.699 -4.751 1.00 0.00 H new ATOM 0 HA THR A 49 15.859 38.483 -5.134 1.00 0.00 H new ATOM 0 HB THR A 49 17.260 40.044 -6.826 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.096 38.150 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.284 38.858 -7.660 1.00 0.00 H new ATOM 0 HG22 THR A 49 19.494 39.294 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.090 37.620 -6.397 1.00 0.00 H new ATOM 784 N GLY A 50 17.136 36.475 -4.737 1.00 0.00 N ATOM 785 CA GLY A 50 17.707 35.220 -4.244 1.00 0.00 C ATOM 786 C GLY A 50 17.458 35.107 -2.778 1.00 0.00 C ATOM 787 O GLY A 50 18.314 35.377 -1.956 1.00 0.00 O ATOM 0 H GLY A 50 16.265 36.360 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.260 34.374 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.778 35.190 -4.446 1.00 0.00 H new ATOM 791 N ASP A 51 16.274 34.704 -2.492 1.00 0.00 N ATOM 792 CA ASP A 51 15.856 34.522 -1.113 1.00 0.00 C ATOM 793 C ASP A 51 15.777 33.070 -0.881 1.00 0.00 C ATOM 794 O ASP A 51 15.052 32.405 -1.603 1.00 0.00 O ATOM 795 CB ASP A 51 14.469 35.131 -0.905 1.00 0.00 C ATOM 796 CG ASP A 51 14.222 35.312 0.595 1.00 0.00 C ATOM 797 OD1 ASP A 51 14.803 34.536 1.337 1.00 0.00 O ATOM 798 OD2 ASP A 51 13.465 36.216 0.916 1.00 0.00 O ATOM 0 H ASP A 51 15.558 34.487 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 51 16.556 35.003 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.399 36.091 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.705 34.484 -1.337 1.00 0.00 H new ATOM 803 N LYS A 52 16.464 32.544 0.059 1.00 0.00 N ATOM 804 CA LYS A 52 16.311 31.105 0.205 1.00 0.00 C ATOM 805 C LYS A 52 14.951 30.928 0.825 1.00 0.00 C ATOM 806 O LYS A 52 14.745 31.322 1.952 1.00 0.00 O ATOM 807 CB LYS A 52 17.407 30.545 1.128 1.00 0.00 C ATOM 808 CG LYS A 52 18.126 29.401 0.407 1.00 0.00 C ATOM 809 CD LYS A 52 18.974 28.620 1.414 1.00 0.00 C ATOM 810 CE LYS A 52 18.048 27.833 2.345 1.00 0.00 C ATOM 811 NZ LYS A 52 18.652 26.515 2.689 1.00 0.00 N ATOM 0 H LYS A 52 17.095 33.019 0.704 1.00 0.00 H new ATOM 0 HA LYS A 52 16.401 30.576 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.116 31.330 1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.969 30.187 2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.399 28.739 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.758 29.797 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.648 27.941 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.596 29.304 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.866 28.405 3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.081 27.682 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.899 25.843 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.181 26.152 1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.298 26.629 3.496 1.00 0.00 H new ATOM 825 N VAL A 53 14.038 30.338 0.087 1.00 0.00 N ATOM 826 CA VAL A 53 12.667 30.148 0.643 1.00 0.00 C ATOM 827 C VAL A 53 12.196 28.720 0.668 1.00 0.00 C ATOM 828 O VAL A 53 12.757 27.857 0.023 1.00 0.00 O ATOM 829 CB VAL A 53 11.720 30.942 -0.260 1.00 0.00 C ATOM 830 CG1 VAL A 53 12.072 32.427 -0.173 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.904 30.468 -1.705 1.00 0.00 C ATOM 0 H VAL A 53 14.183 29.987 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 53 12.681 30.481 1.681 1.00 0.00 H new ATOM 0 HB VAL A 53 10.688 30.789 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.401 32.998 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.966 32.766 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 53 13.101 32.577 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.234 31.026 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.936 30.635 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.673 29.405 -1.771 1.00 0.00 H new ATOM 841 N ARG A 54 11.141 28.500 1.434 1.00 0.00 N ATOM 842 CA ARG A 54 10.590 27.136 1.532 1.00 0.00 C ATOM 843 C ARG A 54 9.397 27.057 0.611 1.00 0.00 C ATOM 844 O ARG A 54 8.348 27.592 0.912 1.00 0.00 O ATOM 845 CB ARG A 54 10.141 26.893 2.978 1.00 0.00 C ATOM 846 CG ARG A 54 10.067 25.391 3.243 1.00 0.00 C ATOM 847 CD ARG A 54 10.102 25.146 4.755 1.00 0.00 C ATOM 848 NE ARG A 54 11.306 25.812 5.326 1.00 0.00 N ATOM 849 CZ ARG A 54 11.558 25.701 6.604 1.00 0.00 C ATOM 850 NH1 ARG A 54 11.018 26.556 7.431 1.00 0.00 N ATOM 851 NH2 ARG A 54 12.345 24.743 7.009 1.00 0.00 N ATOM 0 H ARG A 54 10.656 29.210 1.982 1.00 0.00 H new ATOM 0 HA ARG A 54 11.333 26.388 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.840 27.361 3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.167 27.352 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.153 24.979 2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.902 24.882 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.198 25.538 5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.129 24.076 4.963 1.00 0.00 H new ATOM 0 HE ARG A 54 11.929 26.351 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.411 27.295 7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.203 26.485 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.752 24.097 6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.554 24.640 8.002 1.00 0.00 H new ATOM 865 N VAL A 55 9.570 26.385 -0.494 1.00 0.00 N ATOM 866 CA VAL A 55 8.456 26.268 -1.450 1.00 0.00 C ATOM 867 C VAL A 55 7.752 24.930 -1.387 1.00 0.00 C ATOM 868 O VAL A 55 8.325 23.925 -1.012 1.00 0.00 O ATOM 869 CB VAL A 55 9.033 26.438 -2.859 1.00 0.00 C ATOM 870 CG1 VAL A 55 7.922 26.893 -3.810 1.00 0.00 C ATOM 871 CG2 VAL A 55 10.127 27.504 -2.823 1.00 0.00 C ATOM 0 H VAL A 55 10.434 25.917 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 55 7.721 27.032 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 55 9.447 25.491 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.329 27.015 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.130 26.145 -3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.515 27.844 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.544 27.632 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.703 28.449 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.916 27.193 -2.138 1.00 0.00 H new ATOM 881 N GLU A 56 6.501 24.963 -1.760 1.00 0.00 N ATOM 882 CA GLU A 56 5.677 23.746 -1.761 1.00 0.00 C ATOM 883 C GLU A 56 5.202 23.511 -3.168 1.00 0.00 C ATOM 884 O GLU A 56 4.558 24.367 -3.751 1.00 0.00 O ATOM 885 CB GLU A 56 4.455 23.986 -0.844 1.00 0.00 C ATOM 886 CG GLU A 56 3.359 22.952 -1.154 1.00 0.00 C ATOM 887 CD GLU A 56 3.897 21.546 -0.890 1.00 0.00 C ATOM 888 OE1 GLU A 56 4.036 21.231 0.282 1.00 0.00 O ATOM 889 OE2 GLU A 56 4.138 20.865 -1.872 1.00 0.00 O ATOM 0 H GLU A 56 6.016 25.806 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 56 6.244 22.886 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.753 23.911 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.069 24.994 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.481 23.139 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.042 23.043 -2.193 1.00 0.00 H new ATOM 896 N LEU A 57 5.517 22.371 -3.699 1.00 0.00 N ATOM 897 CA LEU A 57 5.083 22.080 -5.073 1.00 0.00 C ATOM 898 C LEU A 57 3.776 21.317 -5.033 1.00 0.00 C ATOM 899 O LEU A 57 3.596 20.444 -4.198 1.00 0.00 O ATOM 900 CB LEU A 57 6.164 21.225 -5.747 1.00 0.00 C ATOM 901 CG LEU A 57 7.524 21.910 -5.559 1.00 0.00 C ATOM 902 CD1 LEU A 57 8.639 20.949 -5.973 1.00 0.00 C ATOM 903 CD2 LEU A 57 7.587 23.162 -6.438 1.00 0.00 C ATOM 0 H LEU A 57 6.053 21.635 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 57 4.937 23.004 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.181 20.226 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.944 21.106 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 57 7.650 22.188 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.606 21.434 -5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.595 20.053 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.512 20.674 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.552 23.651 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.463 22.879 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.791 23.849 -6.151 1.00 0.00 H new ATOM 915 N THR A 58 2.889 21.646 -5.942 1.00 0.00 N ATOM 916 CA THR A 58 1.574 20.951 -5.971 1.00 0.00 C ATOM 917 C THR A 58 1.550 19.799 -6.991 1.00 0.00 C ATOM 918 O THR A 58 2.237 19.840 -7.993 1.00 0.00 O ATOM 919 CB THR A 58 0.523 21.990 -6.362 1.00 0.00 C ATOM 920 OG1 THR A 58 0.791 22.300 -7.715 1.00 0.00 O ATOM 921 CG2 THR A 58 0.768 23.311 -5.606 1.00 0.00 C ATOM 0 H THR A 58 3.022 22.361 -6.658 1.00 0.00 H new ATOM 0 HA THR A 58 1.377 20.517 -4.991 1.00 0.00 H new ATOM 0 HB THR A 58 -0.477 21.607 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.146 22.966 -8.032 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.012 24.041 -5.895 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.709 23.132 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.757 23.695 -5.856 1.00 0.00 H new ATOM 929 N PRO A 59 0.737 18.777 -6.706 1.00 0.00 N ATOM 930 CA PRO A 59 0.619 17.618 -7.593 1.00 0.00 C ATOM 931 C PRO A 59 0.044 18.007 -8.947 1.00 0.00 C ATOM 932 O PRO A 59 0.291 17.351 -9.938 1.00 0.00 O ATOM 933 CB PRO A 59 -0.371 16.670 -6.883 1.00 0.00 C ATOM 934 CG PRO A 59 -0.899 17.410 -5.620 1.00 0.00 C ATOM 935 CD PRO A 59 -0.108 18.724 -5.496 1.00 0.00 C ATOM 0 HA PRO A 59 1.595 17.168 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.195 16.408 -7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.122 15.739 -6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.966 17.611 -5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.765 16.795 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.776 19.583 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.498 18.736 -4.590 1.00 0.00 H new ATOM 943 N TYR A 60 -0.715 19.066 -8.970 1.00 0.00 N ATOM 944 CA TYR A 60 -1.303 19.496 -10.255 1.00 0.00 C ATOM 945 C TYR A 60 -0.206 19.762 -11.264 1.00 0.00 C ATOM 946 O TYR A 60 -0.394 19.597 -12.452 1.00 0.00 O ATOM 947 CB TYR A 60 -2.103 20.785 -10.022 1.00 0.00 C ATOM 948 CG TYR A 60 -3.358 20.448 -9.217 1.00 0.00 C ATOM 949 CD1 TYR A 60 -4.335 19.633 -9.754 1.00 0.00 C ATOM 950 CD2 TYR A 60 -3.524 20.937 -7.938 1.00 0.00 C ATOM 951 CE1 TYR A 60 -5.459 19.311 -9.023 1.00 0.00 C ATOM 952 CE2 TYR A 60 -4.648 20.615 -7.207 1.00 0.00 C ATOM 953 CZ TYR A 60 -5.624 19.799 -7.743 1.00 0.00 C ATOM 954 OH TYR A 60 -6.749 19.481 -7.011 1.00 0.00 O ATOM 0 H TYR A 60 -0.948 19.643 -8.162 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.954 18.711 -10.640 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.496 21.514 -9.486 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.376 21.237 -10.975 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.218 19.245 -10.755 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.768 21.576 -7.506 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.215 18.673 -9.455 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.766 21.005 -6.207 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.699 19.910 -6.131 1.00 0.00 H new ATOM 964 N ASP A 61 0.930 20.156 -10.758 1.00 0.00 N ATOM 965 CA ASP A 61 2.080 20.447 -11.651 1.00 0.00 C ATOM 966 C ASP A 61 3.178 21.174 -10.887 1.00 0.00 C ATOM 967 O ASP A 61 3.142 22.380 -10.743 1.00 0.00 O ATOM 968 CB ASP A 61 1.597 21.350 -12.809 1.00 0.00 C ATOM 969 CG ASP A 61 1.624 20.556 -14.119 1.00 0.00 C ATOM 970 OD1 ASP A 61 1.430 19.355 -14.032 1.00 0.00 O ATOM 971 OD2 ASP A 61 1.841 21.198 -15.134 1.00 0.00 O ATOM 0 H ASP A 61 1.109 20.288 -9.763 1.00 0.00 H new ATOM 0 HA ASP A 61 2.477 19.507 -12.035 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.587 21.708 -12.609 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.236 22.229 -12.890 1.00 0.00 H new ATOM 976 N LEU A 62 4.132 20.424 -10.392 1.00 0.00 N ATOM 977 CA LEU A 62 5.229 21.061 -9.640 1.00 0.00 C ATOM 978 C LEU A 62 5.723 22.300 -10.362 1.00 0.00 C ATOM 979 O LEU A 62 6.395 23.128 -9.784 1.00 0.00 O ATOM 980 CB LEU A 62 6.380 20.052 -9.504 1.00 0.00 C ATOM 981 CG LEU A 62 5.829 18.772 -8.861 1.00 0.00 C ATOM 982 CD1 LEU A 62 5.129 17.917 -9.921 1.00 0.00 C ATOM 983 CD2 LEU A 62 6.980 17.970 -8.245 1.00 0.00 C ATOM 0 H LEU A 62 4.189 19.409 -10.481 1.00 0.00 H new ATOM 0 HA LEU A 62 4.866 21.359 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.808 19.831 -10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.180 20.469 -8.893 1.00 0.00 H new ATOM 0 HG LEU A 62 5.114 19.043 -8.084 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.740 17.010 -9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.306 18.482 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.842 17.649 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.587 17.061 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.696 17.705 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.477 18.572 -7.484 1.00 0.00 H new ATOM 995 N SER A 63 5.386 22.411 -11.619 1.00 0.00 N ATOM 996 CA SER A 63 5.835 23.598 -12.371 1.00 0.00 C ATOM 997 C SER A 63 5.350 24.845 -11.658 1.00 0.00 C ATOM 998 O SER A 63 5.714 25.952 -12.004 1.00 0.00 O ATOM 999 CB SER A 63 5.223 23.554 -13.782 1.00 0.00 C ATOM 1000 OG SER A 63 6.217 24.145 -14.608 1.00 0.00 O ATOM 0 H SER A 63 4.828 21.738 -12.144 1.00 0.00 H new ATOM 0 HA SER A 63 6.923 23.609 -12.438 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.004 22.532 -14.090 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.285 24.108 -13.828 1.00 0.00 H new ATOM 0 HG SER A 63 5.906 24.156 -15.537 1.00 0.00 H new ATOM 1006 N LYS A 64 4.514 24.629 -10.666 1.00 0.00 N ATOM 1007 CA LYS A 64 3.966 25.767 -9.885 1.00 0.00 C ATOM 1008 C LYS A 64 4.003 25.450 -8.395 1.00 0.00 C ATOM 1009 O LYS A 64 3.867 24.300 -7.987 1.00 0.00 O ATOM 1010 CB LYS A 64 2.495 25.999 -10.295 1.00 0.00 C ATOM 1011 CG LYS A 64 2.373 26.027 -11.820 1.00 0.00 C ATOM 1012 CD LYS A 64 2.708 27.432 -12.321 1.00 0.00 C ATOM 1013 CE LYS A 64 1.409 28.156 -12.680 1.00 0.00 C ATOM 1014 NZ LYS A 64 0.343 27.841 -11.686 1.00 0.00 N ATOM 0 H LYS A 64 4.192 23.708 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 64 4.567 26.654 -10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.866 25.208 -9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.136 26.939 -9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.050 25.297 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.363 25.751 -12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.248 27.986 -11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.361 27.375 -13.192 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.581 29.232 -12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.084 27.859 -13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.438 28.520 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.012 26.877 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.735 27.906 -10.725 1.00 0.00 H new ATOM 1028 N GLY A 65 4.175 26.467 -7.611 1.00 0.00 N ATOM 1029 CA GLY A 65 4.228 26.263 -6.146 1.00 0.00 C ATOM 1030 C GLY A 65 4.051 27.596 -5.450 1.00 0.00 C ATOM 1031 O GLY A 65 3.700 28.567 -6.071 1.00 0.00 O ATOM 0 H GLY A 65 4.281 27.433 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.446 25.570 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.181 25.816 -5.863 1.00 0.00 H new ATOM 1035 N ARG A 66 4.224 27.597 -4.168 1.00 0.00 N ATOM 1036 CA ARG A 66 4.073 28.878 -3.408 1.00 0.00 C ATOM 1037 C ARG A 66 5.217 29.023 -2.411 1.00 0.00 C ATOM 1038 O ARG A 66 5.809 28.043 -2.027 1.00 0.00 O ATOM 1039 CB ARG A 66 2.740 28.844 -2.642 1.00 0.00 C ATOM 1040 CG ARG A 66 2.474 27.416 -2.163 1.00 0.00 C ATOM 1041 CD ARG A 66 1.093 27.357 -1.506 1.00 0.00 C ATOM 1042 NE ARG A 66 0.139 28.170 -2.312 1.00 0.00 N ATOM 1043 CZ ARG A 66 -0.829 28.803 -1.711 1.00 0.00 C ATOM 1044 NH1 ARG A 66 -1.331 28.295 -0.620 1.00 0.00 N ATOM 1045 NH2 ARG A 66 -1.262 29.925 -2.219 1.00 0.00 N ATOM 0 H ARG A 66 4.462 26.779 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 66 4.090 29.719 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.778 29.525 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.928 29.182 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.521 26.723 -3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.242 27.108 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.749 26.325 -1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.144 27.738 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 66 0.243 28.231 -3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.966 27.417 -0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.089 28.776 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.844 30.293 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.019 30.433 -1.762 1.00 0.00 H new ATOM 1059 N ILE A 67 5.505 30.247 -1.996 1.00 0.00 N ATOM 1060 CA ILE A 67 6.627 30.439 -1.013 1.00 0.00 C ATOM 1061 C ILE A 67 6.094 30.712 0.388 1.00 0.00 C ATOM 1062 O ILE A 67 5.123 31.424 0.552 1.00 0.00 O ATOM 1063 CB ILE A 67 7.448 31.643 -1.461 1.00 0.00 C ATOM 1064 CG1 ILE A 67 8.386 31.236 -2.585 1.00 0.00 C ATOM 1065 CG2 ILE A 67 8.297 32.129 -0.274 1.00 0.00 C ATOM 1066 CD1 ILE A 67 8.739 32.473 -3.412 1.00 0.00 C ATOM 0 H ILE A 67 5.024 31.097 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 67 7.229 29.531 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 67 6.778 32.430 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.291 30.786 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.913 30.484 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.890 32.991 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.642 32.413 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.961 31.328 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.412 32.190 -4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.829 32.903 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.228 33.210 -2.774 1.00 0.00 H new ATOM 1078 N THR A 68 6.738 30.137 1.389 1.00 0.00 N ATOM 1079 CA THR A 68 6.273 30.364 2.739 1.00 0.00 C ATOM 1080 C THR A 68 7.343 29.963 3.736 1.00 0.00 C ATOM 1081 O THR A 68 7.365 28.855 4.217 1.00 0.00 O ATOM 1082 CB THR A 68 5.033 29.495 2.968 1.00 0.00 C ATOM 1083 OG1 THR A 68 4.978 29.279 4.363 1.00 0.00 O ATOM 1084 CG2 THR A 68 5.232 28.097 2.366 1.00 0.00 C ATOM 0 H THR A 68 7.554 29.532 1.297 1.00 0.00 H new ATOM 0 HA THR A 68 6.041 31.420 2.874 1.00 0.00 H new ATOM 0 HB THR A 68 4.157 29.978 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.645 28.608 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.340 27.496 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.408 28.184 1.294 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.090 27.617 2.836 1.00 0.00 H new ATOM 1092 N TYR A 69 8.187 30.912 3.979 1.00 0.00 N ATOM 1093 CA TYR A 69 9.356 30.788 4.948 1.00 0.00 C ATOM 1094 C TYR A 69 10.636 31.078 4.209 1.00 0.00 C ATOM 1095 O TYR A 69 10.901 30.477 3.191 1.00 0.00 O ATOM 1096 CB TYR A 69 9.445 29.381 5.579 1.00 0.00 C ATOM 1097 CG TYR A 69 10.635 29.338 6.540 1.00 0.00 C ATOM 1098 CD1 TYR A 69 10.472 29.674 7.869 1.00 0.00 C ATOM 1099 CD2 TYR A 69 11.884 28.959 6.094 1.00 0.00 C ATOM 1100 CE1 TYR A 69 11.543 29.630 8.738 1.00 0.00 C ATOM 1101 CE2 TYR A 69 12.955 28.916 6.963 1.00 0.00 C ATOM 1102 CZ TYR A 69 12.792 29.251 8.293 1.00 0.00 C ATOM 1103 OH TYR A 69 13.863 29.207 9.163 1.00 0.00 O ATOM 0 H TYR A 69 8.130 31.827 3.532 1.00 0.00 H new ATOM 0 HA TYR A 69 9.199 31.504 5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.523 29.149 6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.562 28.627 4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.500 29.973 8.231 1.00 0.00 H new ATOM 0 HD2 TYR A 69 12.025 28.694 5.057 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.402 29.895 9.776 1.00 0.00 H new ATOM 0 HE2 TYR A 69 13.928 28.618 6.601 1.00 0.00 H new ATOM 0 HH TYR A 69 14.665 28.918 8.680 1.00 0.00 H new ATOM 1113 N ARG A 70 11.421 32.004 4.730 1.00 0.00 N ATOM 1114 CA ARG A 70 12.688 32.334 4.044 1.00 0.00 C ATOM 1115 C ARG A 70 13.846 32.554 4.993 1.00 0.00 C ATOM 1116 O ARG A 70 13.671 32.879 6.151 1.00 0.00 O ATOM 1117 CB ARG A 70 12.473 33.617 3.227 1.00 0.00 C ATOM 1118 CG ARG A 70 11.527 34.546 3.986 1.00 0.00 C ATOM 1119 CD ARG A 70 11.364 35.849 3.197 1.00 0.00 C ATOM 1120 NE ARG A 70 10.106 36.525 3.628 1.00 0.00 N ATOM 1121 CZ ARG A 70 9.941 36.835 4.886 1.00 0.00 C ATOM 1122 NH1 ARG A 70 10.992 37.087 5.617 1.00 0.00 N ATOM 1123 NH2 ARG A 70 8.729 36.885 5.370 1.00 0.00 N ATOM 0 H ARG A 70 11.231 32.527 5.584 1.00 0.00 H new ATOM 0 HA ARG A 70 12.949 31.483 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.427 34.115 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.056 33.374 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.558 34.066 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.923 34.755 4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.220 36.502 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.331 35.640 2.128 1.00 0.00 H new ATOM 0 HE ARG A 70 9.380 36.743 2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.924 37.040 5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.882 37.331 6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.931 36.684 4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.581 37.125 6.350 1.00 0.00 H new ATOM 1137 N ALA A 71 15.024 32.365 4.456 1.00 0.00 N ATOM 1138 CA ALA A 71 16.245 32.542 5.250 1.00 0.00 C ATOM 1139 C ALA A 71 17.309 33.252 4.418 1.00 0.00 C ATOM 1140 O ALA A 71 17.339 33.130 3.196 1.00 0.00 O ATOM 1141 CB ALA A 71 16.768 31.152 5.654 1.00 0.00 C ATOM 0 H ALA A 71 15.179 32.092 3.486 1.00 0.00 H new ATOM 0 HA ALA A 71 16.025 33.141 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.677 31.263 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.011 30.636 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.987 30.571 4.758 1.00 0.00 H new ATOM 1147 N ARG A 72 18.161 33.981 5.088 1.00 0.00 N ATOM 1148 CA ARG A 72 19.232 34.708 4.365 1.00 0.00 C ATOM 1149 C ARG A 72 18.639 35.695 3.360 1.00 0.00 C ATOM 1150 O ARG A 72 18.185 35.219 2.333 1.00 0.00 O ATOM 1151 CB ARG A 72 20.092 33.685 3.612 1.00 0.00 C ATOM 1152 CG ARG A 72 21.566 33.974 3.895 1.00 0.00 C ATOM 1153 CD ARG A 72 21.936 35.324 3.281 1.00 0.00 C ATOM 1154 NE ARG A 72 23.360 35.289 2.853 1.00 0.00 N ATOM 1155 CZ ARG A 72 23.705 34.540 1.844 1.00 0.00 C ATOM 1156 NH1 ARG A 72 23.342 34.897 0.643 1.00 0.00 N ATOM 1157 NH2 ARG A 72 24.398 33.459 2.070 1.00 0.00 N ATOM 1158 OXT ARG A 72 18.677 36.873 3.673 1.00 0.00 O ATOM 0 H ARG A 72 18.158 34.101 6.101 1.00 0.00 H new ATOM 0 HA ARG A 72 19.831 35.265 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.839 32.673 3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.895 33.742 2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.747 33.987 4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 72 22.191 33.186 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.292 35.539 2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.781 36.123 4.007 1.00 0.00 H new ATOM 0 HE ARG A 72 24.059 35.846 3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.798 35.749 0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.602 34.324 -0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.661 33.212 3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.677 32.860 1.293 1.00 0.00 H new