USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 527 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 29 HIS : no HD1:sc= 0.25 K(o=-2.3,f=-6.4!) USER MOD Set 1.2: A 61 GLN : amide:sc= -2.59 K(o=-2.3,f=-3.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.109 (180deg=-0.799) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -128:sc= -0.0457 (180deg=-1.51!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.086) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.116 (180deg=-0.522) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -2.83! C(o=-4.1!,f=-2.8!) USER MOD Single : A 20 GLN : amide:sc= -3.55 K(o=-3.6,f=-11!) USER MOD Single : A 31 THR OG1 : rot -42:sc= 1.02 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0348 K(o=-0.035,f=-0.79) USER MOD Single : A 46 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.78) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= -0.12 (180deg=-0.631) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= -0.421 (180deg=-0.425) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.614 0.123 0.030 1.00 73.02 N ATOM 2 CA MET A 1 2.311 0.199 -1.249 1.00 1.23 C ATOM 3 C MET A 1 1.492 -0.458 -2.355 1.00 13.40 C ATOM 4 O MET A 1 0.961 -1.555 -2.181 1.00 3.00 O ATOM 5 CB MET A 1 3.682 -0.472 -1.147 1.00 3.42 C ATOM 6 CG MET A 1 3.612 -1.945 -0.780 1.00 61.24 C ATOM 7 SD MET A 1 5.006 -2.476 0.232 1.00 64.51 S ATOM 8 CE MET A 1 4.177 -3.513 1.434 1.00 74.11 C ATOM 0 H1 MET A 1 2.300 -0.068 0.788 1.00 73.02 H new ATOM 0 H2 MET A 1 1.133 1.026 0.218 1.00 73.02 H new ATOM 0 H3 MET A 1 0.911 -0.643 -0.003 1.00 73.02 H new ATOM 0 HA MET A 1 2.447 1.251 -1.498 1.00 1.23 H new ATOM 0 HB2 MET A 1 4.200 -0.368 -2.100 1.00 3.42 H new ATOM 0 HB3 MET A 1 4.279 0.052 -0.401 1.00 3.42 H new ATOM 0 HG2 MET A 1 2.684 -2.138 -0.242 1.00 61.24 H new ATOM 0 HG3 MET A 1 3.582 -2.542 -1.692 1.00 61.24 H new ATOM 0 HE1 MET A 1 4.910 -3.917 2.133 1.00 74.11 H new ATOM 0 HE2 MET A 1 3.443 -2.921 1.980 1.00 74.11 H new ATOM 0 HE3 MET A 1 3.674 -4.333 0.922 1.00 74.11 H new ATOM 18 N LYS A 2 1.392 0.221 -3.493 1.00 74.42 N ATOM 19 CA LYS A 2 0.638 -0.297 -4.629 1.00 13.21 C ATOM 20 C LYS A 2 1.534 -0.446 -5.854 1.00 53.54 C ATOM 21 O LYS A 2 2.506 0.292 -6.019 1.00 20.31 O ATOM 22 CB LYS A 2 -0.537 0.629 -4.952 1.00 41.42 C ATOM 23 CG LYS A 2 -1.525 0.781 -3.809 1.00 21.44 C ATOM 24 CD LYS A 2 -2.045 -0.568 -3.339 1.00 53.43 C ATOM 25 CE LYS A 2 -3.356 -0.426 -2.581 1.00 53.14 C ATOM 26 NZ LYS A 2 -4.219 -1.630 -2.736 1.00 54.40 N ATOM 0 H LYS A 2 1.824 1.131 -3.653 1.00 74.42 H new ATOM 0 HA LYS A 2 0.254 -1.281 -4.360 1.00 13.21 H new ATOM 0 HB2 LYS A 2 -0.150 1.612 -5.220 1.00 41.42 H new ATOM 0 HB3 LYS A 2 -1.062 0.244 -5.826 1.00 41.42 H new ATOM 0 HG2 LYS A 2 -1.045 1.297 -2.978 1.00 21.44 H new ATOM 0 HG3 LYS A 2 -2.361 1.403 -4.129 1.00 21.44 H new ATOM 0 HD2 LYS A 2 -2.189 -1.223 -4.198 1.00 53.43 H new ATOM 0 HD3 LYS A 2 -1.302 -1.042 -2.698 1.00 53.43 H new ATOM 0 HE2 LYS A 2 -3.148 -0.262 -1.524 1.00 53.14 H new ATOM 0 HE3 LYS A 2 -3.891 0.453 -2.941 1.00 53.14 H new ATOM 0 HZ1 LYS A 2 -5.103 -1.494 -2.205 1.00 54.40 H new ATOM 0 HZ2 LYS A 2 -4.438 -1.773 -3.743 1.00 54.40 H new ATOM 0 HZ3 LYS A 2 -3.719 -2.465 -2.369 1.00 54.40 H new ATOM 40 N LYS A 3 1.200 -1.403 -6.713 1.00 55.33 N ATOM 41 CA LYS A 3 1.972 -1.647 -7.926 1.00 14.02 C ATOM 42 C LYS A 3 1.056 -1.761 -9.140 1.00 53.13 C ATOM 43 O LYS A 3 0.044 -2.460 -9.103 1.00 51.24 O ATOM 44 CB LYS A 3 2.801 -2.924 -7.778 1.00 25.20 C ATOM 45 CG LYS A 3 3.564 -3.006 -6.467 1.00 35.14 C ATOM 46 CD LYS A 3 4.448 -4.240 -6.412 1.00 32.53 C ATOM 47 CE LYS A 3 5.692 -4.073 -7.270 1.00 25.13 C ATOM 48 NZ LYS A 3 6.903 -3.803 -6.445 1.00 34.11 N ATOM 0 H LYS A 3 0.399 -2.023 -6.592 1.00 55.33 H new ATOM 0 HA LYS A 3 2.642 -0.801 -8.077 1.00 14.02 H new ATOM 0 HB2 LYS A 3 2.140 -3.787 -7.859 1.00 25.20 H new ATOM 0 HB3 LYS A 3 3.509 -2.986 -8.605 1.00 25.20 H new ATOM 0 HG2 LYS A 3 4.177 -2.113 -6.345 1.00 35.14 H new ATOM 0 HG3 LYS A 3 2.859 -3.025 -5.636 1.00 35.14 H new ATOM 0 HD2 LYS A 3 4.740 -4.434 -5.380 1.00 32.53 H new ATOM 0 HD3 LYS A 3 3.884 -5.108 -6.752 1.00 32.53 H new ATOM 0 HE2 LYS A 3 5.849 -4.975 -7.861 1.00 25.13 H new ATOM 0 HE3 LYS A 3 5.541 -3.254 -7.973 1.00 25.13 H new ATOM 0 HZ1 LYS A 3 7.385 -2.954 -6.803 1.00 34.11 H new ATOM 0 HZ2 LYS A 3 6.622 -3.651 -5.455 1.00 34.11 H new ATOM 0 HZ3 LYS A 3 7.549 -4.616 -6.500 1.00 34.11 H new ATOM 62 N GLY A 4 1.419 -1.070 -10.217 1.00 33.02 N ATOM 63 CA GLY A 4 0.619 -1.109 -11.427 1.00 44.24 C ATOM 64 C GLY A 4 1.311 -0.442 -12.600 1.00 72.43 C ATOM 65 O GLY A 4 2.351 0.196 -12.437 1.00 63.12 O ATOM 0 H GLY A 4 2.252 -0.484 -10.273 1.00 33.02 H new ATOM 0 HA2 GLY A 4 0.399 -2.146 -11.680 1.00 44.24 H new ATOM 0 HA3 GLY A 4 -0.336 -0.616 -11.244 1.00 44.24 H new ATOM 69 N THR A 5 0.733 -0.591 -13.788 1.00 62.35 N ATOM 70 CA THR A 5 1.302 -0.002 -14.994 1.00 13.31 C ATOM 71 C THR A 5 0.905 1.464 -15.129 1.00 32.11 C ATOM 72 O THR A 5 -0.192 1.860 -14.733 1.00 25.33 O ATOM 73 CB THR A 5 0.853 -0.762 -16.256 1.00 41.34 C ATOM 74 OG1 THR A 5 -0.577 -0.824 -16.309 1.00 4.23 O ATOM 75 CG2 THR A 5 1.428 -2.170 -16.273 1.00 71.01 C ATOM 0 H THR A 5 -0.129 -1.115 -13.941 1.00 62.35 H new ATOM 0 HA THR A 5 2.386 -0.076 -14.901 1.00 13.31 H new ATOM 0 HB THR A 5 1.225 -0.224 -17.128 1.00 41.34 H new ATOM 0 HG1 THR A 5 -0.854 -1.307 -17.115 1.00 4.23 H new ATOM 0 HG21 THR A 5 1.097 -2.687 -17.174 1.00 71.01 H new ATOM 0 HG22 THR A 5 2.517 -2.119 -16.263 1.00 71.01 H new ATOM 0 HG23 THR A 5 1.083 -2.715 -15.394 1.00 71.01 H new ATOM 83 N VAL A 6 1.803 2.266 -15.692 1.00 1.14 N ATOM 84 CA VAL A 6 1.546 3.689 -15.881 1.00 35.33 C ATOM 85 C VAL A 6 0.838 3.948 -17.206 1.00 34.42 C ATOM 86 O VAL A 6 1.077 3.256 -18.196 1.00 52.20 O ATOM 87 CB VAL A 6 2.851 4.506 -15.840 1.00 74.43 C ATOM 88 CG1 VAL A 6 3.397 4.710 -17.245 1.00 55.02 C ATOM 89 CG2 VAL A 6 2.622 5.841 -15.149 1.00 14.12 C ATOM 0 H VAL A 6 2.715 1.955 -16.025 1.00 1.14 H new ATOM 0 HA VAL A 6 0.902 4.006 -15.060 1.00 35.33 H new ATOM 0 HB VAL A 6 3.591 3.948 -15.266 1.00 74.43 H new ATOM 0 HG11 VAL A 6 4.319 5.289 -17.196 1.00 55.02 H new ATOM 0 HG12 VAL A 6 3.601 3.741 -17.700 1.00 55.02 H new ATOM 0 HG13 VAL A 6 2.663 5.246 -17.846 1.00 55.02 H new ATOM 0 HG21 VAL A 6 3.555 6.405 -15.129 1.00 14.12 H new ATOM 0 HG22 VAL A 6 1.867 6.408 -15.694 1.00 14.12 H new ATOM 0 HG23 VAL A 6 2.280 5.669 -14.128 1.00 14.12 H new ATOM 99 N LYS A 7 -0.036 4.949 -17.218 1.00 4.01 N ATOM 100 CA LYS A 7 -0.779 5.302 -18.422 1.00 3.44 C ATOM 101 C LYS A 7 -0.108 6.459 -19.155 1.00 43.23 C ATOM 102 O LYS A 7 -0.089 6.498 -20.386 1.00 5.25 O ATOM 103 CB LYS A 7 -2.219 5.678 -18.065 1.00 61.51 C ATOM 104 CG LYS A 7 -3.229 5.293 -19.132 1.00 14.21 C ATOM 105 CD LYS A 7 -2.930 5.976 -20.456 1.00 2.43 C ATOM 106 CE LYS A 7 -4.207 6.384 -21.174 1.00 1.51 C ATOM 107 NZ LYS A 7 -4.590 5.403 -22.226 1.00 64.41 N ATOM 0 H LYS A 7 -0.247 5.530 -16.407 1.00 4.01 H new ATOM 0 HA LYS A 7 -0.789 4.434 -19.081 1.00 3.44 H new ATOM 0 HB2 LYS A 7 -2.491 5.193 -17.127 1.00 61.51 H new ATOM 0 HB3 LYS A 7 -2.274 6.753 -17.895 1.00 61.51 H new ATOM 0 HG2 LYS A 7 -3.220 4.212 -19.269 1.00 14.21 H new ATOM 0 HG3 LYS A 7 -4.231 5.564 -18.800 1.00 14.21 H new ATOM 0 HD2 LYS A 7 -2.313 6.857 -20.281 1.00 2.43 H new ATOM 0 HD3 LYS A 7 -2.353 5.304 -21.091 1.00 2.43 H new ATOM 0 HE2 LYS A 7 -5.017 6.475 -20.450 1.00 1.51 H new ATOM 0 HE3 LYS A 7 -4.071 7.367 -21.626 1.00 1.51 H new ATOM 0 HZ1 LYS A 7 -5.465 5.717 -22.692 1.00 64.41 H new ATOM 0 HZ2 LYS A 7 -3.828 5.334 -22.931 1.00 64.41 H new ATOM 0 HZ3 LYS A 7 -4.745 4.471 -21.792 1.00 64.41 H new ATOM 121 N TRP A 8 0.442 7.397 -18.393 1.00 42.41 N ATOM 122 CA TRP A 8 1.116 8.554 -18.972 1.00 13.41 C ATOM 123 C TRP A 8 1.854 9.347 -17.899 1.00 43.32 C ATOM 124 O TRP A 8 1.366 9.500 -16.780 1.00 15.24 O ATOM 125 CB TRP A 8 0.105 9.455 -19.684 1.00 43.02 C ATOM 126 CG TRP A 8 -0.631 10.373 -18.755 1.00 61.55 C ATOM 127 CD1 TRP A 8 -0.174 11.549 -18.233 1.00 55.15 C ATOM 128 CD2 TRP A 8 -1.953 10.188 -18.238 1.00 22.43 C ATOM 129 NE1 TRP A 8 -1.133 12.107 -17.422 1.00 71.23 N ATOM 130 CE2 TRP A 8 -2.234 11.291 -17.409 1.00 2.51 C ATOM 131 CE3 TRP A 8 -2.927 9.198 -18.395 1.00 52.51 C ATOM 132 CZ2 TRP A 8 -3.447 11.430 -16.741 1.00 12.35 C ATOM 133 CZ3 TRP A 8 -4.131 9.338 -17.731 1.00 20.42 C ATOM 134 CH2 TRP A 8 -4.383 10.447 -16.913 1.00 30.24 C ATOM 0 H TRP A 8 0.435 7.380 -17.373 1.00 42.41 H new ATOM 0 HA TRP A 8 1.845 8.193 -19.697 1.00 13.41 H new ATOM 0 HB2 TRP A 8 0.625 10.050 -20.435 1.00 43.02 H new ATOM 0 HB3 TRP A 8 -0.616 8.832 -20.214 1.00 43.02 H new ATOM 0 HD1 TRP A 8 0.798 11.978 -18.429 1.00 55.15 H new ATOM 0 HE1 TRP A 8 -1.040 12.986 -16.912 1.00 71.23 H new ATOM 0 HE3 TRP A 8 -2.742 8.339 -19.024 1.00 52.51 H new ATOM 0 HZ2 TRP A 8 -3.643 12.284 -16.109 1.00 12.35 H new ATOM 0 HZ3 TRP A 8 -4.891 8.579 -17.845 1.00 20.42 H new ATOM 0 HH2 TRP A 8 -5.334 10.528 -16.408 1.00 30.24 H new ATOM 145 N PHE A 9 3.034 9.850 -18.248 1.00 51.01 N ATOM 146 CA PHE A 9 3.840 10.627 -17.314 1.00 3.01 C ATOM 147 C PHE A 9 4.426 11.860 -17.996 1.00 15.22 C ATOM 148 O PHE A 9 5.435 11.776 -18.694 1.00 75.05 O ATOM 149 CB PHE A 9 4.967 9.765 -16.740 1.00 35.11 C ATOM 150 CG PHE A 9 5.917 10.527 -15.862 1.00 1.51 C ATOM 151 CD1 PHE A 9 5.678 10.651 -14.503 1.00 24.33 C ATOM 152 CD2 PHE A 9 7.049 11.122 -16.396 1.00 62.41 C ATOM 153 CE1 PHE A 9 6.551 11.351 -13.692 1.00 4.42 C ATOM 154 CE2 PHE A 9 7.926 11.823 -15.590 1.00 51.12 C ATOM 155 CZ PHE A 9 7.676 11.939 -14.237 1.00 1.33 C ATOM 0 H PHE A 9 3.453 9.733 -19.171 1.00 51.01 H new ATOM 0 HA PHE A 9 3.193 10.956 -16.501 1.00 3.01 H new ATOM 0 HB2 PHE A 9 4.532 8.947 -16.166 1.00 35.11 H new ATOM 0 HB3 PHE A 9 5.525 9.316 -17.562 1.00 35.11 H new ATOM 0 HD1 PHE A 9 4.799 10.195 -14.072 1.00 24.33 H new ATOM 0 HD2 PHE A 9 7.248 11.037 -17.454 1.00 62.41 H new ATOM 0 HE1 PHE A 9 6.354 11.438 -12.634 1.00 4.42 H new ATOM 0 HE2 PHE A 9 8.806 12.280 -16.018 1.00 51.12 H new ATOM 0 HZ PHE A 9 8.359 12.488 -13.606 1.00 1.33 H new ATOM 165 N ASN A 10 3.783 13.005 -17.787 1.00 44.13 N ATOM 166 CA ASN A 10 4.239 14.256 -18.382 1.00 52.24 C ATOM 167 C ASN A 10 5.564 14.699 -17.770 1.00 12.54 C ATOM 168 O ASN A 10 5.601 15.217 -16.654 1.00 12.51 O ATOM 169 CB ASN A 10 3.185 15.349 -18.192 1.00 0.00 C ATOM 170 CG ASN A 10 2.509 15.734 -19.494 1.00 5.00 C ATOM 171 OD1 ASN A 10 2.144 14.873 -20.295 1.00 0.33 O ATOM 172 ND2 ASN A 10 2.341 17.033 -19.711 1.00 52.22 N ATOM 0 H ASN A 10 2.946 13.092 -17.211 1.00 44.13 H new ATOM 0 HA ASN A 10 4.391 14.088 -19.448 1.00 52.24 H new ATOM 0 HB2 ASN A 10 2.432 15.004 -17.483 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.654 16.230 -17.755 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.893 17.353 -20.570 1.00 52.22 H new ATOM 0 HD22 ASN A 10 2.659 17.711 -19.019 1.00 52.22 H new ATOM 179 N ALA A 11 6.649 14.493 -18.508 1.00 24.53 N ATOM 180 CA ALA A 11 7.976 14.873 -18.039 1.00 20.15 C ATOM 181 C ALA A 11 8.223 16.364 -18.239 1.00 54.34 C ATOM 182 O ALA A 11 9.106 16.946 -17.611 1.00 11.32 O ATOM 183 CB ALA A 11 9.043 14.058 -18.755 1.00 51.41 C ATOM 0 H ALA A 11 6.636 14.065 -19.434 1.00 24.53 H new ATOM 0 HA ALA A 11 8.030 14.663 -16.971 1.00 20.15 H new ATOM 0 HB1 ALA A 11 10.029 14.353 -18.395 1.00 51.41 H new ATOM 0 HB2 ALA A 11 8.886 12.998 -18.556 1.00 51.41 H new ATOM 0 HB3 ALA A 11 8.980 14.239 -19.828 1.00 51.41 H new ATOM 189 N GLU A 12 7.437 16.976 -19.120 1.00 15.22 N ATOM 190 CA GLU A 12 7.572 18.400 -19.404 1.00 10.03 C ATOM 191 C GLU A 12 7.171 19.237 -18.192 1.00 74.14 C ATOM 192 O GLU A 12 7.882 20.161 -17.798 1.00 24.32 O ATOM 193 CB GLU A 12 6.715 18.786 -20.611 1.00 35.13 C ATOM 194 CG GLU A 12 7.452 18.692 -21.936 1.00 52.20 C ATOM 195 CD GLU A 12 6.511 18.572 -23.120 1.00 5.25 C ATOM 196 OE1 GLU A 12 5.403 19.144 -23.056 1.00 31.11 O ATOM 197 OE2 GLU A 12 6.883 17.907 -24.109 1.00 25.15 O ATOM 0 H GLU A 12 6.701 16.508 -19.649 1.00 15.22 H new ATOM 0 HA GLU A 12 8.619 18.601 -19.632 1.00 10.03 H new ATOM 0 HB2 GLU A 12 5.839 18.139 -20.646 1.00 35.13 H new ATOM 0 HB3 GLU A 12 6.353 19.805 -20.478 1.00 35.13 H new ATOM 0 HG2 GLU A 12 8.078 19.575 -22.063 1.00 52.20 H new ATOM 0 HG3 GLU A 12 8.118 17.829 -21.917 1.00 52.20 H new ATOM 204 N LYS A 13 6.025 18.907 -17.606 1.00 55.15 N ATOM 205 CA LYS A 13 5.526 19.626 -16.440 1.00 5.02 C ATOM 206 C LYS A 13 6.053 19.003 -15.151 1.00 72.30 C ATOM 207 O LYS A 13 6.341 19.705 -14.183 1.00 0.10 O ATOM 208 CB LYS A 13 3.996 19.627 -16.431 1.00 21.34 C ATOM 209 CG LYS A 13 3.382 20.564 -17.456 1.00 61.10 C ATOM 210 CD LYS A 13 1.887 20.727 -17.237 1.00 43.55 C ATOM 211 CE LYS A 13 1.590 21.425 -15.919 1.00 51.32 C ATOM 212 NZ LYS A 13 2.324 22.715 -15.796 1.00 51.24 N ATOM 0 H LYS A 13 5.424 18.145 -17.920 1.00 55.15 H new ATOM 0 HA LYS A 13 5.882 20.654 -16.498 1.00 5.02 H new ATOM 0 HB2 LYS A 13 3.639 18.614 -16.618 1.00 21.34 H new ATOM 0 HB3 LYS A 13 3.647 19.910 -15.438 1.00 21.34 H new ATOM 0 HG2 LYS A 13 3.868 21.538 -17.397 1.00 61.10 H new ATOM 0 HG3 LYS A 13 3.564 20.177 -18.459 1.00 61.10 H new ATOM 0 HD2 LYS A 13 1.458 21.301 -18.059 1.00 43.55 H new ATOM 0 HD3 LYS A 13 1.408 19.748 -17.248 1.00 43.55 H new ATOM 0 HE2 LYS A 13 0.518 21.608 -15.838 1.00 51.32 H new ATOM 0 HE3 LYS A 13 1.865 20.771 -15.092 1.00 51.32 H new ATOM 0 HZ1 LYS A 13 1.902 23.283 -15.034 1.00 51.24 H new ATOM 0 HZ2 LYS A 13 3.323 22.526 -15.576 1.00 51.24 H new ATOM 0 HZ3 LYS A 13 2.260 23.238 -16.693 1.00 51.24 H new ATOM 226 N GLY A 14 6.177 17.679 -15.147 1.00 21.13 N ATOM 227 CA GLY A 14 6.670 16.984 -13.972 1.00 22.11 C ATOM 228 C GLY A 14 5.558 16.334 -13.173 1.00 53.40 C ATOM 229 O GLY A 14 5.541 16.410 -11.944 1.00 53.02 O ATOM 0 H GLY A 14 5.945 17.076 -15.936 1.00 21.13 H new ATOM 0 HA2 GLY A 14 7.386 16.222 -14.279 1.00 22.11 H new ATOM 0 HA3 GLY A 14 7.207 17.688 -13.336 1.00 22.11 H new ATOM 233 N TYR A 15 4.625 15.696 -13.871 1.00 64.12 N ATOM 234 CA TYR A 15 3.502 15.034 -13.219 1.00 55.13 C ATOM 235 C TYR A 15 2.986 13.875 -14.067 1.00 13.12 C ATOM 236 O TYR A 15 3.095 13.890 -15.292 1.00 53.31 O ATOM 237 CB TYR A 15 2.373 16.034 -12.962 1.00 1.20 C ATOM 238 CG TYR A 15 1.555 16.354 -14.193 1.00 33.54 C ATOM 239 CD1 TYR A 15 2.126 16.995 -15.284 1.00 44.41 C ATOM 240 CD2 TYR A 15 0.210 16.012 -14.264 1.00 54.20 C ATOM 241 CE1 TYR A 15 1.382 17.290 -16.410 1.00 21.20 C ATOM 242 CE2 TYR A 15 -0.542 16.301 -15.387 1.00 10.25 C ATOM 243 CZ TYR A 15 0.049 16.941 -16.457 1.00 35.54 C ATOM 244 OH TYR A 15 -0.696 17.231 -17.577 1.00 21.31 O ATOM 0 H TYR A 15 4.624 15.623 -14.888 1.00 64.12 H new ATOM 0 HA TYR A 15 3.851 14.636 -12.266 1.00 55.13 H new ATOM 0 HB2 TYR A 15 1.713 15.634 -12.192 1.00 1.20 H new ATOM 0 HB3 TYR A 15 2.799 16.957 -12.569 1.00 1.20 H new ATOM 0 HD1 TYR A 15 3.170 17.268 -15.252 1.00 44.41 H new ATOM 0 HD2 TYR A 15 -0.256 15.512 -13.428 1.00 54.20 H new ATOM 0 HE1 TYR A 15 1.842 17.791 -17.249 1.00 21.20 H new ATOM 0 HE2 TYR A 15 -1.586 16.028 -15.427 1.00 10.25 H new ATOM 0 HH TYR A 15 -1.616 16.917 -17.448 1.00 21.31 H new ATOM 254 N GLY A 16 2.422 12.870 -13.403 1.00 40.12 N ATOM 255 CA GLY A 16 1.897 11.717 -14.110 1.00 33.41 C ATOM 256 C GLY A 16 0.812 11.003 -13.328 1.00 73.44 C ATOM 257 O GLY A 16 0.506 11.374 -12.195 1.00 24.31 O ATOM 0 H GLY A 16 2.320 12.834 -12.389 1.00 40.12 H new ATOM 0 HA2 GLY A 16 1.497 12.036 -15.073 1.00 33.41 H new ATOM 0 HA3 GLY A 16 2.710 11.021 -14.317 1.00 33.41 H new ATOM 261 N PHE A 17 0.226 9.976 -13.935 1.00 70.43 N ATOM 262 CA PHE A 17 -0.834 9.209 -13.290 1.00 4.31 C ATOM 263 C PHE A 17 -0.687 7.720 -13.589 1.00 11.13 C ATOM 264 O PHE A 17 -0.666 7.308 -14.749 1.00 0.30 O ATOM 265 CB PHE A 17 -2.205 9.702 -13.756 1.00 50.03 C ATOM 266 CG PHE A 17 -2.560 11.066 -13.238 1.00 0.31 C ATOM 267 CD1 PHE A 17 -2.159 12.206 -13.917 1.00 31.32 C ATOM 268 CD2 PHE A 17 -3.295 11.209 -12.072 1.00 41.31 C ATOM 269 CE1 PHE A 17 -2.484 13.462 -13.441 1.00 42.23 C ATOM 270 CE2 PHE A 17 -3.623 12.463 -11.592 1.00 1.30 C ATOM 271 CZ PHE A 17 -3.218 13.591 -12.278 1.00 44.13 C ATOM 0 H PHE A 17 0.467 9.656 -14.873 1.00 70.43 H new ATOM 0 HA PHE A 17 -0.750 9.355 -12.213 1.00 4.31 H new ATOM 0 HB2 PHE A 17 -2.225 9.720 -14.846 1.00 50.03 H new ATOM 0 HB3 PHE A 17 -2.966 8.991 -13.435 1.00 50.03 H new ATOM 0 HD1 PHE A 17 -1.586 12.112 -14.828 1.00 31.32 H new ATOM 0 HD2 PHE A 17 -3.615 10.330 -11.532 1.00 41.31 H new ATOM 0 HE1 PHE A 17 -2.164 14.343 -13.978 1.00 42.23 H new ATOM 0 HE2 PHE A 17 -4.195 12.561 -10.681 1.00 1.30 H new ATOM 0 HZ PHE A 17 -3.475 14.572 -11.906 1.00 44.13 H new ATOM 281 N ILE A 18 -0.586 6.918 -12.534 1.00 4.40 N ATOM 282 CA ILE A 18 -0.442 5.476 -12.683 1.00 25.42 C ATOM 283 C ILE A 18 -1.783 4.769 -12.517 1.00 42.34 C ATOM 284 O ILE A 18 -2.686 5.279 -11.855 1.00 3.23 O ATOM 285 CB ILE A 18 0.558 4.901 -11.661 1.00 53.32 C ATOM 286 CG1 ILE A 18 1.868 5.691 -11.697 1.00 14.32 C ATOM 287 CG2 ILE A 18 0.814 3.428 -11.941 1.00 74.03 C ATOM 288 CD1 ILE A 18 2.669 5.591 -10.418 1.00 32.23 C ATOM 0 H ILE A 18 -0.601 7.243 -11.567 1.00 4.40 H new ATOM 0 HA ILE A 18 -0.063 5.300 -13.690 1.00 25.42 H new ATOM 0 HB ILE A 18 0.128 4.992 -10.664 1.00 53.32 H new ATOM 0 HG12 ILE A 18 2.477 5.332 -12.527 1.00 14.32 H new ATOM 0 HG13 ILE A 18 1.645 6.739 -11.896 1.00 14.32 H new ATOM 0 HG21 ILE A 18 1.522 3.037 -11.211 1.00 74.03 H new ATOM 0 HG22 ILE A 18 -0.123 2.876 -11.870 1.00 74.03 H new ATOM 0 HG23 ILE A 18 1.227 3.315 -12.943 1.00 74.03 H new ATOM 0 HD11 ILE A 18 3.584 6.175 -10.515 1.00 32.23 H new ATOM 0 HD12 ILE A 18 2.078 5.978 -9.588 1.00 32.23 H new ATOM 0 HD13 ILE A 18 2.923 4.548 -10.228 1.00 32.23 H new ATOM 300 N GLN A 19 -1.904 3.592 -13.123 1.00 53.51 N ATOM 301 CA GLN A 19 -3.135 2.815 -13.042 1.00 14.44 C ATOM 302 C GLN A 19 -2.843 1.372 -12.647 1.00 62.41 C ATOM 303 O GLN A 19 -1.802 0.820 -13.004 1.00 2.44 O ATOM 304 CB GLN A 19 -3.875 2.851 -14.380 1.00 33.00 C ATOM 305 CG GLN A 19 -3.684 4.150 -15.147 1.00 31.35 C ATOM 306 CD GLN A 19 -4.068 5.370 -14.333 1.00 20.34 C ATOM 307 OE1 GLN A 19 -3.268 6.425 -14.434 1.00 53.11 O flip ATOM 308 NE2 GLN A 19 -5.072 5.364 -13.620 1.00 73.00 N flip ATOM 0 H GLN A 19 -1.165 3.156 -13.675 1.00 53.51 H new ATOM 0 HA GLN A 19 -3.767 3.261 -12.274 1.00 14.44 H new ATOM 0 HB2 GLN A 19 -3.532 2.021 -14.997 1.00 33.00 H new ATOM 0 HB3 GLN A 19 -4.939 2.698 -14.201 1.00 33.00 H new ATOM 0 HG2 GLN A 19 -2.642 4.236 -15.454 1.00 31.35 H new ATOM 0 HG3 GLN A 19 -4.283 4.122 -16.057 1.00 31.35 H new ATOM 0 HE21 GLN A 19 -5.659 4.531 -13.572 1.00 73.00 H new ATOM 0 HE22 GLN A 19 -5.317 6.192 -13.077 1.00 73.00 H new ATOM 317 N GLN A 20 -3.768 0.766 -11.909 1.00 63.25 N ATOM 318 CA GLN A 20 -3.607 -0.614 -11.466 1.00 53.00 C ATOM 319 C GLN A 20 -4.596 -1.533 -12.176 1.00 40.54 C ATOM 320 O GLN A 20 -5.208 -1.149 -13.173 1.00 2.44 O ATOM 321 CB GLN A 20 -3.800 -0.711 -9.952 1.00 14.13 C ATOM 322 CG GLN A 20 -2.806 -1.637 -9.270 1.00 12.44 C ATOM 323 CD GLN A 20 -2.253 -1.054 -7.984 1.00 15.12 C ATOM 324 OE1 GLN A 20 -1.168 -0.472 -7.968 1.00 74.04 O ATOM 325 NE2 GLN A 20 -2.999 -1.207 -6.896 1.00 21.34 N ATOM 0 H GLN A 20 -4.636 1.208 -11.606 1.00 63.25 H new ATOM 0 HA GLN A 20 -2.596 -0.934 -11.718 1.00 53.00 H new ATOM 0 HB2 GLN A 20 -3.712 0.285 -9.518 1.00 14.13 H new ATOM 0 HB3 GLN A 20 -4.811 -1.061 -9.745 1.00 14.13 H new ATOM 0 HG2 GLN A 20 -3.291 -2.589 -9.054 1.00 12.44 H new ATOM 0 HG3 GLN A 20 -1.983 -1.847 -9.953 1.00 12.44 H new ATOM 0 HE21 GLN A 20 -3.892 -1.696 -6.955 1.00 21.34 H new ATOM 0 HE22 GLN A 20 -2.679 -0.835 -6.002 1.00 21.34 H new ATOM 334 N GLU A 21 -4.746 -2.747 -11.657 1.00 54.00 N ATOM 335 CA GLU A 21 -5.660 -3.720 -12.244 1.00 33.15 C ATOM 336 C GLU A 21 -7.027 -3.094 -12.505 1.00 33.13 C ATOM 337 O GLU A 21 -7.717 -3.461 -13.455 1.00 52.44 O ATOM 338 CB GLU A 21 -5.810 -4.932 -11.322 1.00 30.31 C ATOM 339 CG GLU A 21 -6.517 -4.619 -10.014 1.00 55.02 C ATOM 340 CD GLU A 21 -6.299 -5.689 -8.962 1.00 53.10 C ATOM 341 OE1 GLU A 21 -5.179 -5.766 -8.417 1.00 3.23 O ATOM 342 OE2 GLU A 21 -7.250 -6.449 -8.684 1.00 33.20 O ATOM 0 H GLU A 21 -4.247 -3.080 -10.832 1.00 54.00 H new ATOM 0 HA GLU A 21 -5.241 -4.046 -13.196 1.00 33.15 H new ATOM 0 HB2 GLU A 21 -6.363 -5.711 -11.847 1.00 30.31 H new ATOM 0 HB3 GLU A 21 -4.821 -5.336 -11.103 1.00 30.31 H new ATOM 0 HG2 GLU A 21 -6.161 -3.662 -9.633 1.00 55.02 H new ATOM 0 HG3 GLU A 21 -7.585 -4.510 -10.200 1.00 55.02 H new ATOM 349 N GLU A 22 -7.411 -2.148 -11.653 1.00 30.20 N ATOM 350 CA GLU A 22 -8.696 -1.473 -11.791 1.00 42.50 C ATOM 351 C GLU A 22 -8.518 -0.085 -12.402 1.00 32.51 C ATOM 352 O GLU A 22 -9.405 0.421 -13.088 1.00 62.33 O ATOM 353 CB GLU A 22 -9.386 -1.358 -10.430 1.00 44.10 C ATOM 354 CG GLU A 22 -9.608 -2.696 -9.745 1.00 64.15 C ATOM 355 CD GLU A 22 -10.791 -2.677 -8.797 1.00 61.34 C ATOM 356 OE1 GLU A 22 -10.738 -1.929 -7.798 1.00 60.55 O ATOM 357 OE2 GLU A 22 -11.769 -3.410 -9.054 1.00 0.22 O ATOM 0 H GLU A 22 -6.851 -1.832 -10.861 1.00 30.20 H new ATOM 0 HA GLU A 22 -9.320 -2.068 -12.458 1.00 42.50 H new ATOM 0 HB2 GLU A 22 -8.785 -0.722 -9.780 1.00 44.10 H new ATOM 0 HB3 GLU A 22 -10.348 -0.862 -10.560 1.00 44.10 H new ATOM 0 HG2 GLU A 22 -9.765 -3.465 -10.501 1.00 64.15 H new ATOM 0 HG3 GLU A 22 -8.709 -2.971 -9.193 1.00 64.15 H new ATOM 364 N GLY A 23 -7.365 0.524 -12.146 1.00 3.41 N ATOM 365 CA GLY A 23 -7.091 1.847 -12.677 1.00 11.14 C ATOM 366 C GLY A 23 -7.859 2.933 -11.951 1.00 14.54 C ATOM 367 O GLY A 23 -8.709 3.613 -12.527 1.00 1.55 O ATOM 0 H GLY A 23 -6.615 0.125 -11.581 1.00 3.41 H new ATOM 0 HA2 GLY A 23 -6.023 2.051 -12.604 1.00 11.14 H new ATOM 0 HA3 GLY A 23 -7.348 1.871 -13.736 1.00 11.14 H new ATOM 371 N PRO A 24 -7.563 3.108 -10.654 1.00 61.31 N ATOM 372 CA PRO A 24 -8.222 4.117 -9.820 1.00 41.32 C ATOM 373 C PRO A 24 -7.821 5.538 -10.204 1.00 20.43 C ATOM 374 O PRO A 24 -8.451 6.161 -11.058 1.00 11.41 O ATOM 375 CB PRO A 24 -7.732 3.786 -8.408 1.00 43.14 C ATOM 376 CG PRO A 24 -6.428 3.094 -8.613 1.00 13.14 C ATOM 377 CD PRO A 24 -6.561 2.333 -9.903 1.00 12.04 C ATOM 0 HA PRO A 24 -9.306 4.089 -9.927 1.00 41.32 H new ATOM 0 HB2 PRO A 24 -7.612 4.689 -7.809 1.00 43.14 H new ATOM 0 HB3 PRO A 24 -8.441 3.147 -7.882 1.00 43.14 H new ATOM 0 HG2 PRO A 24 -5.609 3.812 -8.666 1.00 13.14 H new ATOM 0 HG3 PRO A 24 -6.209 2.421 -7.784 1.00 13.14 H new ATOM 0 HD2 PRO A 24 -5.612 2.278 -10.437 1.00 12.04 H new ATOM 0 HD3 PRO A 24 -6.891 1.308 -9.733 1.00 12.04 H new ATOM 385 N ASP A 25 -6.770 6.043 -9.568 1.00 23.42 N ATOM 386 CA ASP A 25 -6.284 7.390 -9.844 1.00 24.41 C ATOM 387 C ASP A 25 -5.259 7.822 -8.799 1.00 54.45 C ATOM 388 O ASP A 25 -5.618 8.235 -7.697 1.00 12.05 O ATOM 389 CB ASP A 25 -7.449 8.379 -9.874 1.00 13.32 C ATOM 390 CG ASP A 25 -8.498 8.071 -8.823 1.00 61.33 C ATOM 391 OD1 ASP A 25 -8.125 7.569 -7.743 1.00 23.43 O ATOM 392 OD2 ASP A 25 -9.692 8.331 -9.082 1.00 20.50 O ATOM 0 H ASP A 25 -6.238 5.540 -8.858 1.00 23.42 H new ATOM 0 HA ASP A 25 -5.800 7.383 -10.820 1.00 24.41 H new ATOM 0 HB2 ASP A 25 -7.069 9.389 -9.718 1.00 13.32 H new ATOM 0 HB3 ASP A 25 -7.912 8.361 -10.861 1.00 13.32 H new ATOM 397 N VAL A 26 -3.982 7.724 -9.154 1.00 51.23 N ATOM 398 CA VAL A 26 -2.905 8.105 -8.248 1.00 54.41 C ATOM 399 C VAL A 26 -2.151 9.322 -8.772 1.00 40.12 C ATOM 400 O VAL A 26 -1.835 9.406 -9.959 1.00 44.10 O ATOM 401 CB VAL A 26 -1.910 6.948 -8.041 1.00 13.23 C ATOM 402 CG1 VAL A 26 -0.947 6.855 -9.214 1.00 51.12 C ATOM 403 CG2 VAL A 26 -1.154 7.124 -6.732 1.00 53.34 C ATOM 0 H VAL A 26 -3.668 7.384 -10.063 1.00 51.23 H new ATOM 0 HA VAL A 26 -3.368 8.352 -7.292 1.00 54.41 H new ATOM 0 HB VAL A 26 -2.471 6.015 -7.988 1.00 13.23 H new ATOM 0 HG11 VAL A 26 -0.252 6.032 -9.050 1.00 51.12 H new ATOM 0 HG12 VAL A 26 -1.508 6.679 -10.132 1.00 51.12 H new ATOM 0 HG13 VAL A 26 -0.390 7.788 -9.303 1.00 51.12 H new ATOM 0 HG21 VAL A 26 -0.455 6.298 -6.601 1.00 53.34 H new ATOM 0 HG22 VAL A 26 -0.604 8.065 -6.753 1.00 53.34 H new ATOM 0 HG23 VAL A 26 -1.861 7.136 -5.902 1.00 53.34 H new ATOM 413 N PHE A 27 -1.865 10.264 -7.879 1.00 62.32 N ATOM 414 CA PHE A 27 -1.147 11.477 -8.251 1.00 52.53 C ATOM 415 C PHE A 27 0.352 11.316 -8.019 1.00 62.41 C ATOM 416 O PHE A 27 0.803 11.158 -6.884 1.00 52.53 O ATOM 417 CB PHE A 27 -1.673 12.671 -7.451 1.00 44.45 C ATOM 418 CG PHE A 27 -1.727 13.946 -8.244 1.00 4.44 C ATOM 419 CD1 PHE A 27 -0.667 14.319 -9.054 1.00 43.51 C ATOM 420 CD2 PHE A 27 -2.837 14.772 -8.177 1.00 53.21 C ATOM 421 CE1 PHE A 27 -0.713 15.492 -9.785 1.00 32.04 C ATOM 422 CE2 PHE A 27 -2.890 15.946 -8.906 1.00 23.54 C ATOM 423 CZ PHE A 27 -1.826 16.307 -9.709 1.00 60.53 C ATOM 0 H PHE A 27 -2.120 10.210 -6.893 1.00 62.32 H new ATOM 0 HA PHE A 27 -1.314 11.657 -9.313 1.00 52.53 H new ATOM 0 HB2 PHE A 27 -2.672 12.439 -7.082 1.00 44.45 H new ATOM 0 HB3 PHE A 27 -1.038 12.822 -6.578 1.00 44.45 H new ATOM 0 HD1 PHE A 27 0.206 13.686 -9.115 1.00 43.51 H new ATOM 0 HD2 PHE A 27 -3.671 14.496 -7.548 1.00 53.21 H new ATOM 0 HE1 PHE A 27 0.120 15.770 -10.414 1.00 32.04 H new ATOM 0 HE2 PHE A 27 -3.762 16.580 -8.847 1.00 23.54 H new ATOM 0 HZ PHE A 27 -1.864 17.225 -10.277 1.00 60.53 H new ATOM 433 N VAL A 28 1.120 11.355 -9.103 1.00 64.42 N ATOM 434 CA VAL A 28 2.569 11.213 -9.019 1.00 61.01 C ATOM 435 C VAL A 28 3.276 12.391 -9.680 1.00 72.03 C ATOM 436 O VAL A 28 2.815 12.915 -10.695 1.00 10.52 O ATOM 437 CB VAL A 28 3.045 9.906 -9.681 1.00 54.00 C ATOM 438 CG1 VAL A 28 1.995 8.816 -9.527 1.00 14.43 C ATOM 439 CG2 VAL A 28 3.370 10.140 -11.148 1.00 42.24 C ATOM 0 H VAL A 28 0.763 11.484 -10.050 1.00 64.42 H new ATOM 0 HA VAL A 28 2.823 11.188 -7.959 1.00 61.01 H new ATOM 0 HB VAL A 28 3.954 9.575 -9.179 1.00 54.00 H new ATOM 0 HG11 VAL A 28 2.349 7.900 -10.001 1.00 14.43 H new ATOM 0 HG12 VAL A 28 1.816 8.631 -8.468 1.00 14.43 H new ATOM 0 HG13 VAL A 28 1.067 9.135 -10.002 1.00 14.43 H new ATOM 0 HG21 VAL A 28 3.705 9.206 -11.600 1.00 42.24 H new ATOM 0 HG22 VAL A 28 2.479 10.495 -11.666 1.00 42.24 H new ATOM 0 HG23 VAL A 28 4.160 10.887 -11.231 1.00 42.24 H new ATOM 449 N HIS A 29 4.398 12.803 -9.099 1.00 62.32 N ATOM 450 CA HIS A 29 5.170 13.919 -9.633 1.00 4.11 C ATOM 451 C HIS A 29 6.600 13.489 -9.949 1.00 54.05 C ATOM 452 O HIS A 29 7.090 12.492 -9.420 1.00 25.13 O ATOM 453 CB HIS A 29 5.183 15.080 -8.638 1.00 23.34 C ATOM 454 CG HIS A 29 3.820 15.471 -8.157 1.00 1.44 C ATOM 455 ND1 HIS A 29 3.555 15.823 -6.850 1.00 23.43 N ATOM 456 CD2 HIS A 29 2.642 15.568 -8.817 1.00 23.15 C ATOM 457 CE1 HIS A 29 2.273 16.116 -6.726 1.00 42.42 C ATOM 458 NE2 HIS A 29 1.697 15.970 -7.906 1.00 12.25 N ATOM 0 H HIS A 29 4.793 12.381 -8.259 1.00 62.32 H new ATOM 0 HA HIS A 29 4.695 14.247 -10.557 1.00 4.11 H new ATOM 0 HB2 HIS A 29 5.797 14.806 -7.780 1.00 23.34 H new ATOM 0 HB3 HIS A 29 5.656 15.944 -9.106 1.00 23.34 H new ATOM 0 HD2 HIS A 29 2.476 15.367 -9.865 1.00 23.15 H new ATOM 0 HE1 HIS A 29 1.780 16.423 -5.815 1.00 42.42 H new ATOM 0 HE2 HIS A 29 0.710 16.130 -8.107 1.00 12.25 H new ATOM 466 N PHE A 30 7.262 14.247 -10.817 1.00 0.10 N ATOM 467 CA PHE A 30 8.634 13.943 -11.206 1.00 3.34 C ATOM 468 C PHE A 30 9.541 13.861 -9.981 1.00 11.10 C ATOM 469 O PHE A 30 10.583 13.205 -10.008 1.00 10.33 O ATOM 470 CB PHE A 30 9.160 15.006 -12.173 1.00 0.01 C ATOM 471 CG PHE A 30 9.557 16.287 -11.497 1.00 45.34 C ATOM 472 CD1 PHE A 30 8.602 17.101 -10.909 1.00 44.15 C ATOM 473 CD2 PHE A 30 10.886 16.678 -11.450 1.00 30.32 C ATOM 474 CE1 PHE A 30 8.966 18.281 -10.288 1.00 75.00 C ATOM 475 CE2 PHE A 30 11.255 17.856 -10.829 1.00 41.43 C ATOM 476 CZ PHE A 30 10.294 18.658 -10.247 1.00 15.52 C ATOM 0 H PHE A 30 6.871 15.076 -11.264 1.00 0.10 H new ATOM 0 HA PHE A 30 8.637 12.974 -11.705 1.00 3.34 H new ATOM 0 HB2 PHE A 30 10.021 14.605 -12.708 1.00 0.01 H new ATOM 0 HB3 PHE A 30 8.393 15.220 -12.918 1.00 0.01 H new ATOM 0 HD1 PHE A 30 7.562 16.810 -10.936 1.00 44.15 H new ATOM 0 HD2 PHE A 30 11.642 16.055 -11.904 1.00 30.32 H new ATOM 0 HE1 PHE A 30 8.212 18.908 -9.835 1.00 75.00 H new ATOM 0 HE2 PHE A 30 12.294 18.149 -10.799 1.00 41.43 H new ATOM 0 HZ PHE A 30 10.580 19.579 -9.760 1.00 15.52 H new ATOM 486 N THR A 31 9.137 14.532 -8.907 1.00 11.22 N ATOM 487 CA THR A 31 9.912 14.537 -7.673 1.00 10.54 C ATOM 488 C THR A 31 9.418 13.465 -6.709 1.00 11.05 C ATOM 489 O THR A 31 9.626 13.561 -5.499 1.00 71.44 O ATOM 490 CB THR A 31 9.847 15.909 -6.974 1.00 70.22 C ATOM 491 OG1 THR A 31 10.721 15.923 -5.840 1.00 61.11 O ATOM 492 CG2 THR A 31 8.426 16.223 -6.530 1.00 4.10 C ATOM 0 H THR A 31 8.277 15.079 -8.867 1.00 11.22 H new ATOM 0 HA THR A 31 10.945 14.326 -7.948 1.00 10.54 H new ATOM 0 HB THR A 31 10.165 16.671 -7.686 1.00 70.22 H new ATOM 0 HG1 THR A 31 10.645 15.073 -5.358 1.00 61.11 H new ATOM 0 HG21 THR A 31 8.405 17.196 -6.039 1.00 4.10 H new ATOM 0 HG22 THR A 31 7.769 16.241 -7.399 1.00 4.10 H new ATOM 0 HG23 THR A 31 8.085 15.458 -5.833 1.00 4.10 H new ATOM 500 N ALA A 32 8.763 12.444 -7.252 1.00 22.14 N ATOM 501 CA ALA A 32 8.242 11.352 -6.439 1.00 70.32 C ATOM 502 C ALA A 32 8.763 10.005 -6.930 1.00 4.33 C ATOM 503 O ALA A 32 8.464 8.963 -6.346 1.00 52.30 O ATOM 504 CB ALA A 32 6.721 11.366 -6.449 1.00 54.11 C ATOM 0 H ALA A 32 8.581 12.350 -8.251 1.00 22.14 H new ATOM 0 HA ALA A 32 8.589 11.496 -5.416 1.00 70.32 H new ATOM 0 HB1 ALA A 32 6.346 10.545 -5.838 1.00 54.11 H new ATOM 0 HB2 ALA A 32 6.363 12.313 -6.044 1.00 54.11 H new ATOM 0 HB3 ALA A 32 6.363 11.250 -7.472 1.00 54.11 H new ATOM 510 N ILE A 33 9.544 10.034 -8.005 1.00 12.43 N ATOM 511 CA ILE A 33 10.107 8.816 -8.573 1.00 34.33 C ATOM 512 C ILE A 33 11.478 8.514 -7.978 1.00 41.51 C ATOM 513 O ILE A 33 12.338 9.391 -7.901 1.00 52.51 O ATOM 514 CB ILE A 33 10.234 8.915 -10.104 1.00 61.03 C ATOM 515 CG1 ILE A 33 8.853 9.068 -10.744 1.00 73.31 C ATOM 516 CG2 ILE A 33 10.947 7.690 -10.657 1.00 3.01 C ATOM 517 CD1 ILE A 33 8.456 10.507 -10.990 1.00 22.34 C ATOM 0 H ILE A 33 9.801 10.888 -8.500 1.00 12.43 H new ATOM 0 HA ILE A 33 9.421 8.006 -8.326 1.00 34.33 H new ATOM 0 HB ILE A 33 10.826 9.797 -10.348 1.00 61.03 H new ATOM 0 HG12 ILE A 33 8.839 8.529 -11.691 1.00 73.31 H new ATOM 0 HG13 ILE A 33 8.109 8.600 -10.100 1.00 73.31 H new ATOM 0 HG21 ILE A 33 11.029 7.775 -11.741 1.00 3.01 H new ATOM 0 HG22 ILE A 33 11.944 7.622 -10.222 1.00 3.01 H new ATOM 0 HG23 ILE A 33 10.379 6.794 -10.405 1.00 3.01 H new ATOM 0 HD11 ILE A 33 7.466 10.539 -11.445 1.00 22.34 H new ATOM 0 HD12 ILE A 33 8.437 11.046 -10.043 1.00 22.34 H new ATOM 0 HD13 ILE A 33 9.178 10.974 -11.659 1.00 22.34 H new ATOM 529 N GLU A 34 11.675 7.268 -7.561 1.00 24.15 N ATOM 530 CA GLU A 34 12.944 6.851 -6.974 1.00 14.23 C ATOM 531 C GLU A 34 13.622 5.793 -7.839 1.00 51.12 C ATOM 532 O GLU A 34 13.454 4.594 -7.618 1.00 52.33 O ATOM 533 CB GLU A 34 12.723 6.306 -5.561 1.00 74.44 C ATOM 534 CG GLU A 34 11.799 7.165 -4.714 1.00 61.15 C ATOM 535 CD GLU A 34 12.387 7.488 -3.355 1.00 1.14 C ATOM 536 OE1 GLU A 34 13.055 6.607 -2.773 1.00 42.44 O ATOM 537 OE2 GLU A 34 12.179 8.621 -2.872 1.00 22.33 O ATOM 0 H GLU A 34 10.973 6.530 -7.618 1.00 24.15 H new ATOM 0 HA GLU A 34 13.595 7.724 -6.921 1.00 14.23 H new ATOM 0 HB2 GLU A 34 12.309 5.300 -5.630 1.00 74.44 H new ATOM 0 HB3 GLU A 34 13.687 6.220 -5.059 1.00 74.44 H new ATOM 0 HG2 GLU A 34 11.585 8.094 -5.243 1.00 61.15 H new ATOM 0 HG3 GLU A 34 10.849 6.648 -4.581 1.00 61.15 H new ATOM 544 N ALA A 35 14.389 6.247 -8.825 1.00 74.45 N ATOM 545 CA ALA A 35 15.094 5.340 -9.723 1.00 54.35 C ATOM 546 C ALA A 35 16.574 5.694 -9.809 1.00 45.10 C ATOM 547 O ALA A 35 17.034 6.640 -9.169 1.00 44.25 O ATOM 548 CB ALA A 35 14.461 5.370 -11.107 1.00 0.21 C ATOM 0 H ALA A 35 14.538 7.237 -9.022 1.00 74.45 H new ATOM 0 HA ALA A 35 15.011 4.331 -9.319 1.00 54.35 H new ATOM 0 HB1 ALA A 35 14.997 4.688 -11.767 1.00 0.21 H new ATOM 0 HB2 ALA A 35 13.418 5.062 -11.037 1.00 0.21 H new ATOM 0 HB3 ALA A 35 14.514 6.382 -11.509 1.00 0.21 H new ATOM 554 N ASP A 36 17.316 4.928 -10.602 1.00 12.40 N ATOM 555 CA ASP A 36 18.745 5.161 -10.771 1.00 44.53 C ATOM 556 C ASP A 36 19.007 6.117 -11.932 1.00 35.51 C ATOM 557 O ASP A 36 19.437 5.701 -13.007 1.00 30.53 O ATOM 558 CB ASP A 36 19.475 3.838 -11.009 1.00 51.44 C ATOM 559 CG ASP A 36 19.833 3.134 -9.716 1.00 31.24 C ATOM 560 OD1 ASP A 36 20.827 3.537 -9.076 1.00 54.13 O ATOM 561 OD2 ASP A 36 19.120 2.178 -9.343 1.00 12.41 O ATOM 0 H ASP A 36 16.951 4.140 -11.138 1.00 12.40 H new ATOM 0 HA ASP A 36 19.124 5.617 -9.856 1.00 44.53 H new ATOM 0 HB2 ASP A 36 18.847 3.184 -11.614 1.00 51.44 H new ATOM 0 HB3 ASP A 36 20.384 4.026 -11.581 1.00 51.44 H new ATOM 566 N GLY A 37 18.742 7.400 -11.707 1.00 13.02 N ATOM 567 CA GLY A 37 18.953 8.394 -12.743 1.00 71.20 C ATOM 568 C GLY A 37 17.710 9.217 -13.019 1.00 23.12 C ATOM 569 O GLY A 37 17.208 9.912 -12.135 1.00 60.50 O ATOM 0 H GLY A 37 18.385 7.769 -10.826 1.00 13.02 H new ATOM 0 HA2 GLY A 37 19.765 9.057 -12.446 1.00 71.20 H new ATOM 0 HA3 GLY A 37 19.267 7.897 -13.661 1.00 71.20 H new ATOM 573 N PHE A 38 17.213 9.141 -14.249 1.00 3.10 N ATOM 574 CA PHE A 38 16.023 9.887 -14.640 1.00 11.31 C ATOM 575 C PHE A 38 14.829 9.500 -13.772 1.00 50.21 C ATOM 576 O PHE A 38 14.336 8.374 -13.842 1.00 42.23 O ATOM 577 CB PHE A 38 15.699 9.636 -16.114 1.00 40.21 C ATOM 578 CG PHE A 38 16.579 10.402 -17.060 1.00 52.41 C ATOM 579 CD1 PHE A 38 17.781 9.869 -17.495 1.00 24.04 C ATOM 580 CD2 PHE A 38 16.203 11.656 -17.514 1.00 43.43 C ATOM 581 CE1 PHE A 38 18.593 10.571 -18.365 1.00 42.34 C ATOM 582 CE2 PHE A 38 17.011 12.363 -18.385 1.00 53.15 C ATOM 583 CZ PHE A 38 18.208 11.820 -18.811 1.00 13.55 C ATOM 0 H PHE A 38 17.616 8.570 -14.992 1.00 3.10 H new ATOM 0 HA PHE A 38 16.226 10.948 -14.496 1.00 11.31 H new ATOM 0 HB2 PHE A 38 15.796 8.571 -16.323 1.00 40.21 H new ATOM 0 HB3 PHE A 38 14.659 9.904 -16.300 1.00 40.21 H new ATOM 0 HD1 PHE A 38 18.087 8.893 -17.150 1.00 24.04 H new ATOM 0 HD2 PHE A 38 15.269 12.086 -17.184 1.00 43.43 H new ATOM 0 HE1 PHE A 38 19.528 10.143 -18.696 1.00 42.34 H new ATOM 0 HE2 PHE A 38 16.707 13.339 -18.732 1.00 53.15 H new ATOM 0 HZ PHE A 38 18.841 12.371 -19.491 1.00 13.55 H new ATOM 593 N ARG A 39 14.370 10.442 -12.954 1.00 73.42 N ATOM 594 CA ARG A 39 13.235 10.199 -12.071 1.00 42.41 C ATOM 595 C ARG A 39 11.921 10.268 -12.843 1.00 51.43 C ATOM 596 O ARG A 39 11.106 11.165 -12.625 1.00 14.21 O ATOM 597 CB ARG A 39 13.223 11.219 -10.930 1.00 71.44 C ATOM 598 CG ARG A 39 14.203 10.896 -9.815 1.00 22.34 C ATOM 599 CD ARG A 39 14.008 11.814 -8.618 1.00 74.22 C ATOM 600 NE ARG A 39 15.028 11.604 -7.595 1.00 3.22 N ATOM 601 CZ ARG A 39 16.259 12.097 -7.673 1.00 3.21 C ATOM 602 NH1 ARG A 39 16.620 12.825 -8.721 1.00 24.13 N ATOM 603 NH2 ARG A 39 17.132 11.863 -6.701 1.00 51.10 N ATOM 0 H ARG A 39 14.766 11.379 -12.884 1.00 73.42 H new ATOM 0 HA ARG A 39 13.339 9.197 -11.654 1.00 42.41 H new ATOM 0 HB2 ARG A 39 13.456 12.205 -11.333 1.00 71.44 H new ATOM 0 HB3 ARG A 39 12.217 11.274 -10.514 1.00 71.44 H new ATOM 0 HG2 ARG A 39 14.074 9.859 -9.505 1.00 22.34 H new ATOM 0 HG3 ARG A 39 15.223 10.993 -10.187 1.00 22.34 H new ATOM 0 HD2 ARG A 39 14.035 12.852 -8.949 1.00 74.22 H new ATOM 0 HD3 ARG A 39 13.022 11.643 -8.187 1.00 74.22 H new ATOM 0 HE ARG A 39 14.782 11.048 -6.776 1.00 3.22 H new ATOM 0 HH11 ARG A 39 15.952 13.008 -9.470 1.00 24.13 H new ATOM 0 HH12 ARG A 39 17.566 13.202 -8.778 1.00 24.13 H new ATOM 0 HH21 ARG A 39 16.858 11.304 -5.893 1.00 51.10 H new ATOM 0 HH22 ARG A 39 18.077 12.242 -6.762 1.00 51.10 H new ATOM 617 N THR A 40 11.721 9.315 -13.748 1.00 43.13 N ATOM 618 CA THR A 40 10.508 9.268 -14.554 1.00 52.20 C ATOM 619 C THR A 40 10.105 7.830 -14.859 1.00 25.22 C ATOM 620 O THR A 40 10.885 6.899 -14.651 1.00 31.10 O ATOM 621 CB THR A 40 10.684 10.032 -15.880 1.00 61.11 C ATOM 622 OG1 THR A 40 11.577 9.317 -16.742 1.00 10.41 O ATOM 623 CG2 THR A 40 11.224 11.432 -15.631 1.00 0.05 C ATOM 0 H THR A 40 12.384 8.565 -13.941 1.00 43.13 H new ATOM 0 HA THR A 40 9.722 9.746 -13.969 1.00 52.20 H new ATOM 0 HB THR A 40 9.708 10.116 -16.357 1.00 61.11 H new ATOM 0 HG1 THR A 40 11.683 9.808 -17.584 1.00 10.41 H new ATOM 0 HG21 THR A 40 11.340 11.952 -16.582 1.00 0.05 H new ATOM 0 HG22 THR A 40 10.528 11.983 -14.999 1.00 0.05 H new ATOM 0 HG23 THR A 40 12.192 11.366 -15.134 1.00 0.05 H new ATOM 631 N LEU A 41 8.885 7.654 -15.353 1.00 60.00 N ATOM 632 CA LEU A 41 8.379 6.327 -15.688 1.00 11.43 C ATOM 633 C LEU A 41 8.252 6.158 -17.198 1.00 41.13 C ATOM 634 O LEU A 41 8.616 7.048 -17.965 1.00 43.32 O ATOM 635 CB LEU A 41 7.022 6.095 -15.021 1.00 72.53 C ATOM 636 CG LEU A 41 6.980 6.275 -13.503 1.00 72.14 C ATOM 637 CD1 LEU A 41 8.240 5.713 -12.864 1.00 41.20 C ATOM 638 CD2 LEU A 41 6.807 7.744 -13.145 1.00 71.25 C ATOM 0 H LEU A 41 8.227 8.413 -15.531 1.00 60.00 H new ATOM 0 HA LEU A 41 9.090 5.589 -15.318 1.00 11.43 H new ATOM 0 HB2 LEU A 41 6.299 6.777 -15.468 1.00 72.53 H new ATOM 0 HB3 LEU A 41 6.693 5.083 -15.256 1.00 72.53 H new ATOM 0 HG LEU A 41 6.124 5.724 -13.114 1.00 72.14 H new ATOM 0 HD11 LEU A 41 8.192 5.850 -11.784 1.00 41.20 H new ATOM 0 HD12 LEU A 41 8.320 4.650 -13.092 1.00 41.20 H new ATOM 0 HD13 LEU A 41 9.112 6.235 -13.258 1.00 41.20 H new ATOM 0 HD21 LEU A 41 6.779 7.853 -12.061 1.00 71.25 H new ATOM 0 HD22 LEU A 41 7.643 8.317 -13.546 1.00 71.25 H new ATOM 0 HD23 LEU A 41 5.875 8.115 -13.571 1.00 71.25 H new ATOM 650 N ASN A 42 7.731 5.010 -17.618 1.00 60.32 N ATOM 651 CA ASN A 42 7.554 4.724 -19.037 1.00 43.35 C ATOM 652 C ASN A 42 6.119 4.299 -19.332 1.00 61.02 C ATOM 653 O ASN A 42 5.592 3.382 -18.704 1.00 21.24 O ATOM 654 CB ASN A 42 8.525 3.628 -19.483 1.00 55.43 C ATOM 655 CG ASN A 42 9.947 4.136 -19.619 1.00 41.04 C ATOM 656 OD1 ASN A 42 10.178 5.251 -20.087 1.00 11.32 O ATOM 657 ND2 ASN A 42 10.909 3.317 -19.211 1.00 20.13 N ATOM 0 H ASN A 42 7.424 4.262 -16.996 1.00 60.32 H new ATOM 0 HA ASN A 42 7.765 5.636 -19.595 1.00 43.35 H new ATOM 0 HB2 ASN A 42 8.502 2.810 -18.763 1.00 55.43 H new ATOM 0 HB3 ASN A 42 8.195 3.221 -20.438 1.00 55.43 H new ATOM 0 HD21 ASN A 42 11.886 3.603 -19.279 1.00 20.13 H new ATOM 0 HD22 ASN A 42 10.671 2.401 -18.829 1.00 20.13 H new ATOM 664 N GLU A 43 5.493 4.972 -20.293 1.00 5.22 N ATOM 665 CA GLU A 43 4.119 4.664 -20.670 1.00 62.43 C ATOM 666 C GLU A 43 3.984 3.201 -21.083 1.00 33.32 C ATOM 667 O GLU A 43 4.646 2.743 -22.013 1.00 74.23 O ATOM 668 CB GLU A 43 3.665 5.572 -21.815 1.00 21.20 C ATOM 669 CG GLU A 43 2.287 5.228 -22.355 1.00 22.40 C ATOM 670 CD GLU A 43 1.936 6.015 -23.602 1.00 61.04 C ATOM 671 OE1 GLU A 43 2.158 7.244 -23.611 1.00 64.44 O ATOM 672 OE2 GLU A 43 1.439 5.401 -24.570 1.00 50.51 O ATOM 0 H GLU A 43 5.916 5.733 -20.824 1.00 5.22 H new ATOM 0 HA GLU A 43 3.483 4.840 -19.802 1.00 62.43 H new ATOM 0 HB2 GLU A 43 3.663 6.606 -21.469 1.00 21.20 H new ATOM 0 HB3 GLU A 43 4.390 5.509 -22.626 1.00 21.20 H new ATOM 0 HG2 GLU A 43 2.244 4.162 -22.579 1.00 22.40 H new ATOM 0 HG3 GLU A 43 1.540 5.422 -21.585 1.00 22.40 H new ATOM 679 N GLY A 44 3.120 2.472 -20.382 1.00 24.42 N ATOM 680 CA GLY A 44 2.914 1.068 -20.689 1.00 13.43 C ATOM 681 C GLY A 44 3.841 0.161 -19.906 1.00 24.23 C ATOM 682 O GLY A 44 3.889 -1.045 -20.147 1.00 2.20 O ATOM 0 H GLY A 44 2.560 2.828 -19.608 1.00 24.42 H new ATOM 0 HA2 GLY A 44 1.880 0.800 -20.472 1.00 13.43 H new ATOM 0 HA3 GLY A 44 3.068 0.906 -21.756 1.00 13.43 H new ATOM 686 N GLU A 45 4.582 0.742 -18.966 1.00 75.35 N ATOM 687 CA GLU A 45 5.514 -0.024 -18.148 1.00 2.33 C ATOM 688 C GLU A 45 4.983 -0.188 -16.727 1.00 12.13 C ATOM 689 O GLU A 45 4.108 0.561 -16.289 1.00 24.55 O ATOM 690 CB GLU A 45 6.882 0.662 -18.116 1.00 54.25 C ATOM 691 CG GLU A 45 7.957 -0.156 -17.422 1.00 2.12 C ATOM 692 CD GLU A 45 9.337 0.078 -18.006 1.00 73.14 C ATOM 693 OE1 GLU A 45 9.541 -0.248 -19.194 1.00 44.13 O ATOM 694 OE2 GLU A 45 10.212 0.587 -17.275 1.00 53.41 O ATOM 0 H GLU A 45 4.554 1.739 -18.753 1.00 75.35 H new ATOM 0 HA GLU A 45 5.621 -1.013 -18.594 1.00 2.33 H new ATOM 0 HB2 GLU A 45 7.199 0.870 -19.138 1.00 54.25 H new ATOM 0 HB3 GLU A 45 6.785 1.623 -17.610 1.00 54.25 H new ATOM 0 HG2 GLU A 45 7.969 0.093 -16.361 1.00 2.12 H new ATOM 0 HG3 GLU A 45 7.709 -1.215 -17.499 1.00 2.12 H new ATOM 701 N HIS A 46 5.517 -1.173 -16.012 1.00 12.15 N ATOM 702 CA HIS A 46 5.097 -1.436 -14.640 1.00 32.33 C ATOM 703 C HIS A 46 5.924 -0.619 -13.652 1.00 24.41 C ATOM 704 O HIS A 46 7.128 -0.436 -13.837 1.00 34.22 O ATOM 705 CB HIS A 46 5.226 -2.926 -14.322 1.00 21.25 C ATOM 706 CG HIS A 46 4.746 -3.818 -15.425 1.00 24.10 C ATOM 707 ND1 HIS A 46 3.516 -4.441 -15.408 1.00 65.31 N ATOM 708 CD2 HIS A 46 5.339 -4.189 -16.584 1.00 55.23 C ATOM 709 CE1 HIS A 46 3.374 -5.158 -16.508 1.00 75.25 C ATOM 710 NE2 HIS A 46 4.465 -5.022 -17.239 1.00 41.35 N ATOM 0 H HIS A 46 6.241 -1.802 -16.360 1.00 12.15 H new ATOM 0 HA HIS A 46 4.052 -1.140 -14.543 1.00 32.33 H new ATOM 0 HB2 HIS A 46 6.270 -3.155 -14.110 1.00 21.25 H new ATOM 0 HB3 HIS A 46 4.661 -3.146 -13.416 1.00 21.25 H new ATOM 0 HD2 HIS A 46 6.317 -3.887 -16.929 1.00 55.23 H new ATOM 0 HE1 HIS A 46 2.511 -5.755 -16.766 1.00 75.25 H new ATOM 0 HE2 HIS A 46 4.632 -5.464 -18.143 1.00 41.35 H new ATOM 718 N VAL A 47 5.271 -0.130 -12.603 1.00 2.12 N ATOM 719 CA VAL A 47 5.946 0.667 -11.586 1.00 4.24 C ATOM 720 C VAL A 47 5.165 0.663 -10.276 1.00 44.44 C ATOM 721 O VAL A 47 3.937 0.728 -10.276 1.00 14.44 O ATOM 722 CB VAL A 47 6.141 2.123 -12.051 1.00 35.34 C ATOM 723 CG1 VAL A 47 7.334 2.229 -12.988 1.00 54.31 C ATOM 724 CG2 VAL A 47 4.877 2.640 -12.721 1.00 41.34 C ATOM 0 H VAL A 47 4.275 -0.272 -12.435 1.00 2.12 H new ATOM 0 HA VAL A 47 6.923 0.212 -11.424 1.00 4.24 H new ATOM 0 HB VAL A 47 6.341 2.743 -11.177 1.00 35.34 H new ATOM 0 HG11 VAL A 47 7.456 3.264 -13.306 1.00 54.31 H new ATOM 0 HG12 VAL A 47 8.234 1.900 -12.469 1.00 54.31 H new ATOM 0 HG13 VAL A 47 7.168 1.598 -13.861 1.00 54.31 H new ATOM 0 HG21 VAL A 47 5.031 3.670 -13.044 1.00 41.34 H new ATOM 0 HG22 VAL A 47 4.644 2.020 -13.586 1.00 41.34 H new ATOM 0 HG23 VAL A 47 4.049 2.602 -12.014 1.00 41.34 H new ATOM 734 N GLU A 48 5.888 0.587 -9.163 1.00 14.21 N ATOM 735 CA GLU A 48 5.261 0.575 -7.846 1.00 62.32 C ATOM 736 C GLU A 48 5.205 1.981 -7.257 1.00 4.21 C ATOM 737 O GLU A 48 6.221 2.672 -7.172 1.00 63.41 O ATOM 738 CB GLU A 48 6.026 -0.356 -6.902 1.00 55.21 C ATOM 739 CG GLU A 48 5.633 -0.198 -5.443 1.00 4.03 C ATOM 740 CD GLU A 48 6.402 -1.132 -4.528 1.00 13.11 C ATOM 741 OE1 GLU A 48 7.645 -1.173 -4.630 1.00 5.12 O ATOM 742 OE2 GLU A 48 5.758 -1.822 -3.710 1.00 1.15 O ATOM 0 H GLU A 48 6.906 0.533 -9.147 1.00 14.21 H new ATOM 0 HA GLU A 48 4.241 0.208 -7.960 1.00 62.32 H new ATOM 0 HB2 GLU A 48 5.855 -1.389 -7.206 1.00 55.21 H new ATOM 0 HB3 GLU A 48 7.094 -0.166 -7.005 1.00 55.21 H new ATOM 0 HG2 GLU A 48 5.806 0.833 -5.133 1.00 4.03 H new ATOM 0 HG3 GLU A 48 4.565 -0.388 -5.335 1.00 4.03 H new ATOM 749 N PHE A 49 4.011 2.399 -6.851 1.00 50.44 N ATOM 750 CA PHE A 49 3.821 3.724 -6.271 1.00 60.24 C ATOM 751 C PHE A 49 3.260 3.622 -4.856 1.00 2.31 C ATOM 752 O PHE A 49 2.423 2.767 -4.569 1.00 64.12 O ATOM 753 CB PHE A 49 2.882 4.557 -7.146 1.00 34.12 C ATOM 754 CG PHE A 49 1.630 3.828 -7.544 1.00 41.24 C ATOM 755 CD1 PHE A 49 1.635 2.953 -8.618 1.00 73.15 C ATOM 756 CD2 PHE A 49 0.449 4.018 -6.845 1.00 4.13 C ATOM 757 CE1 PHE A 49 0.484 2.282 -8.988 1.00 22.13 C ATOM 758 CE2 PHE A 49 -0.704 3.349 -7.209 1.00 51.51 C ATOM 759 CZ PHE A 49 -0.686 2.479 -8.281 1.00 52.45 C ATOM 0 H PHE A 49 3.160 1.840 -6.913 1.00 50.44 H new ATOM 0 HA PHE A 49 4.793 4.216 -6.223 1.00 60.24 H new ATOM 0 HB2 PHE A 49 2.609 5.466 -6.609 1.00 34.12 H new ATOM 0 HB3 PHE A 49 3.415 4.866 -8.045 1.00 34.12 H new ATOM 0 HD1 PHE A 49 2.548 2.793 -9.172 1.00 73.15 H new ATOM 0 HD2 PHE A 49 0.429 4.697 -6.006 1.00 4.13 H new ATOM 0 HE1 PHE A 49 0.500 1.605 -9.829 1.00 22.13 H new ATOM 0 HE2 PHE A 49 -1.618 3.506 -6.656 1.00 51.51 H new ATOM 0 HZ PHE A 49 -1.585 1.953 -8.566 1.00 52.45 H new ATOM 769 N GLU A 50 3.729 4.502 -3.976 1.00 35.43 N ATOM 770 CA GLU A 50 3.275 4.510 -2.590 1.00 32.11 C ATOM 771 C GLU A 50 2.300 5.658 -2.343 1.00 60.24 C ATOM 772 O GLU A 50 2.709 6.797 -2.117 1.00 60.22 O ATOM 773 CB GLU A 50 4.468 4.627 -1.640 1.00 5.02 C ATOM 774 CG GLU A 50 5.101 3.291 -1.289 1.00 73.42 C ATOM 775 CD GLU A 50 5.855 3.329 0.025 1.00 4.35 C ATOM 776 OE1 GLU A 50 5.198 3.372 1.086 1.00 23.34 O ATOM 777 OE2 GLU A 50 7.104 3.317 -0.007 1.00 72.33 O ATOM 0 H GLU A 50 4.422 5.217 -4.198 1.00 35.43 H new ATOM 0 HA GLU A 50 2.758 3.570 -2.399 1.00 32.11 H new ATOM 0 HB2 GLU A 50 5.223 5.268 -2.095 1.00 5.02 H new ATOM 0 HB3 GLU A 50 4.144 5.118 -0.722 1.00 5.02 H new ATOM 0 HG2 GLU A 50 4.324 2.528 -1.236 1.00 73.42 H new ATOM 0 HG3 GLU A 50 5.783 2.996 -2.086 1.00 73.42 H new ATOM 784 N VAL A 51 1.008 5.349 -2.390 1.00 12.43 N ATOM 785 CA VAL A 51 -0.026 6.354 -2.171 1.00 72.12 C ATOM 786 C VAL A 51 0.055 6.928 -0.761 1.00 53.12 C ATOM 787 O VAL A 51 0.057 6.188 0.221 1.00 31.44 O ATOM 788 CB VAL A 51 -1.433 5.769 -2.395 1.00 72.15 C ATOM 789 CG1 VAL A 51 -1.545 5.166 -3.787 1.00 73.23 C ATOM 790 CG2 VAL A 51 -1.755 4.733 -1.329 1.00 73.00 C ATOM 0 H VAL A 51 0.652 4.412 -2.578 1.00 12.43 H new ATOM 0 HA VAL A 51 0.148 7.150 -2.895 1.00 72.12 H new ATOM 0 HB VAL A 51 -2.160 6.577 -2.315 1.00 72.15 H new ATOM 0 HG11 VAL A 51 -2.546 4.758 -3.927 1.00 73.23 H new ATOM 0 HG12 VAL A 51 -1.360 5.938 -4.534 1.00 73.23 H new ATOM 0 HG13 VAL A 51 -0.809 4.370 -3.899 1.00 73.23 H new ATOM 0 HG21 VAL A 51 -2.753 4.330 -1.503 1.00 73.00 H new ATOM 0 HG22 VAL A 51 -1.025 3.925 -1.374 1.00 73.00 H new ATOM 0 HG23 VAL A 51 -1.719 5.200 -0.345 1.00 73.00 H new ATOM 800 N GLU A 52 0.121 8.253 -0.670 1.00 73.25 N ATOM 801 CA GLU A 52 0.202 8.926 0.620 1.00 0.23 C ATOM 802 C GLU A 52 -0.987 9.861 0.822 1.00 35.54 C ATOM 803 O GLU A 52 -1.653 10.274 -0.127 1.00 71.44 O ATOM 804 CB GLU A 52 1.508 9.716 0.727 1.00 24.43 C ATOM 805 CG GLU A 52 2.657 8.914 1.317 1.00 41.43 C ATOM 806 CD GLU A 52 2.299 8.270 2.642 1.00 63.12 C ATOM 807 OE1 GLU A 52 1.790 7.130 2.629 1.00 14.14 O ATOM 808 OE2 GLU A 52 2.530 8.906 3.692 1.00 53.14 O ATOM 0 H GLU A 52 0.120 8.881 -1.474 1.00 73.25 H new ATOM 0 HA GLU A 52 0.181 8.164 1.400 1.00 0.23 H new ATOM 0 HB2 GLU A 52 1.793 10.068 -0.265 1.00 24.43 H new ATOM 0 HB3 GLU A 52 1.339 10.600 1.342 1.00 24.43 H new ATOM 0 HG2 GLU A 52 2.956 8.140 0.610 1.00 41.43 H new ATOM 0 HG3 GLU A 52 3.518 9.568 1.456 1.00 41.43 H new ATOM 815 N PRO A 53 -1.263 10.202 2.090 1.00 25.21 N ATOM 816 CA PRO A 53 -2.372 11.091 2.448 1.00 71.53 C ATOM 817 C PRO A 53 -2.126 12.530 2.010 1.00 3.33 C ATOM 818 O PRO A 53 -2.520 12.933 0.917 1.00 45.23 O ATOM 819 CB PRO A 53 -2.424 10.997 3.975 1.00 64.13 C ATOM 820 CG PRO A 53 -1.041 10.617 4.378 1.00 45.32 C ATOM 821 CD PRO A 53 -0.511 9.747 3.272 1.00 71.31 C ATOM 0 HA PRO A 53 -3.301 10.801 1.958 1.00 71.53 H new ATOM 0 HB2 PRO A 53 -2.719 11.947 4.420 1.00 64.13 H new ATOM 0 HB3 PRO A 53 -3.150 10.253 4.301 1.00 64.13 H new ATOM 0 HG2 PRO A 53 -0.417 11.501 4.512 1.00 45.32 H new ATOM 0 HG3 PRO A 53 -1.044 10.082 5.328 1.00 45.32 H new ATOM 0 HD2 PRO A 53 0.563 9.876 3.139 1.00 71.31 H new ATOM 0 HD3 PRO A 53 -0.682 8.690 3.475 1.00 71.31 H new ATOM 829 N GLY A 54 -1.470 13.302 2.872 1.00 15.24 N ATOM 830 CA GLY A 54 -1.183 14.689 2.556 1.00 24.01 C ATOM 831 C GLY A 54 -0.007 14.836 1.611 1.00 41.12 C ATOM 832 O GLY A 54 0.963 15.529 1.919 1.00 52.33 O ATOM 0 H GLY A 54 -1.133 12.991 3.783 1.00 15.24 H new ATOM 0 HA2 GLY A 54 -2.065 15.146 2.108 1.00 24.01 H new ATOM 0 HA3 GLY A 54 -0.975 15.233 3.477 1.00 24.01 H new ATOM 836 N ARG A 55 -0.091 14.181 0.457 1.00 14.14 N ATOM 837 CA ARG A 55 0.975 14.240 -0.535 1.00 24.05 C ATOM 838 C ARG A 55 0.414 14.554 -1.918 1.00 62.24 C ATOM 839 O ARG A 55 0.988 15.343 -2.668 1.00 30.02 O ATOM 840 CB ARG A 55 1.740 12.916 -0.571 1.00 65.20 C ATOM 841 CG ARG A 55 3.168 13.023 -0.061 1.00 44.14 C ATOM 842 CD ARG A 55 3.227 12.927 1.455 1.00 3.11 C ATOM 843 NE ARG A 55 4.599 12.815 1.944 1.00 70.54 N ATOM 844 CZ ARG A 55 5.432 13.845 2.040 1.00 72.14 C ATOM 845 NH1 ARG A 55 5.034 15.058 1.683 1.00 42.40 N ATOM 846 NH2 ARG A 55 6.665 13.663 2.494 1.00 62.53 N ATOM 0 H ARG A 55 -0.887 13.603 0.187 1.00 14.14 H new ATOM 0 HA ARG A 55 1.659 15.039 -0.250 1.00 24.05 H new ATOM 0 HB2 ARG A 55 1.204 12.180 0.028 1.00 65.20 H new ATOM 0 HB3 ARG A 55 1.756 12.543 -1.595 1.00 65.20 H new ATOM 0 HG2 ARG A 55 3.773 12.230 -0.501 1.00 44.14 H new ATOM 0 HG3 ARG A 55 3.601 13.970 -0.384 1.00 44.14 H new ATOM 0 HD2 ARG A 55 2.757 13.808 1.892 1.00 3.11 H new ATOM 0 HD3 ARG A 55 2.653 12.062 1.786 1.00 3.11 H new ATOM 0 HE ARG A 55 4.936 11.895 2.227 1.00 70.54 H new ATOM 0 HH11 ARG A 55 4.086 15.202 1.334 1.00 42.40 H new ATOM 0 HH12 ARG A 55 5.675 15.848 1.758 1.00 42.40 H new ATOM 0 HH21 ARG A 55 6.975 12.731 2.770 1.00 62.53 H new ATOM 0 HH22 ARG A 55 7.304 14.455 2.567 1.00 62.53 H new ATOM 860 N GLY A 56 -0.712 13.929 -2.251 1.00 4.23 N ATOM 861 CA GLY A 56 -1.331 14.154 -3.544 1.00 10.34 C ATOM 862 C GLY A 56 -2.419 15.208 -3.490 1.00 12.14 C ATOM 863 O GLY A 56 -3.222 15.234 -2.558 1.00 11.33 O ATOM 0 H GLY A 56 -1.206 13.271 -1.648 1.00 4.23 H new ATOM 0 HA2 GLY A 56 -0.568 14.460 -4.260 1.00 10.34 H new ATOM 0 HA3 GLY A 56 -1.754 13.218 -3.909 1.00 10.34 H new ATOM 867 N GLY A 57 -2.446 16.082 -4.492 1.00 24.43 N ATOM 868 CA GLY A 57 -3.446 17.132 -4.534 1.00 73.23 C ATOM 869 C GLY A 57 -4.848 16.607 -4.297 1.00 33.33 C ATOM 870 O GLY A 57 -5.658 17.254 -3.633 1.00 11.22 O ATOM 0 H GLY A 57 -1.793 16.081 -5.275 1.00 24.43 H new ATOM 0 HA2 GLY A 57 -3.211 17.884 -3.781 1.00 73.23 H new ATOM 0 HA3 GLY A 57 -3.406 17.629 -5.503 1.00 73.23 H new ATOM 874 N LYS A 58 -5.138 15.430 -4.841 1.00 62.14 N ATOM 875 CA LYS A 58 -6.452 14.817 -4.686 1.00 64.15 C ATOM 876 C LYS A 58 -6.484 13.901 -3.467 1.00 15.41 C ATOM 877 O LYS A 58 -7.550 13.612 -2.924 1.00 70.04 O ATOM 878 CB LYS A 58 -6.819 14.024 -5.943 1.00 24.22 C ATOM 879 CG LYS A 58 -8.011 14.591 -6.694 1.00 2.14 C ATOM 880 CD LYS A 58 -7.575 15.541 -7.796 1.00 44.24 C ATOM 881 CE LYS A 58 -7.231 16.916 -7.244 1.00 25.12 C ATOM 882 NZ LYS A 58 -8.408 17.568 -6.606 1.00 63.11 N ATOM 0 H LYS A 58 -4.480 14.881 -5.394 1.00 62.14 H new ATOM 0 HA LYS A 58 -7.182 15.613 -4.540 1.00 64.15 H new ATOM 0 HB2 LYS A 58 -5.958 13.999 -6.611 1.00 24.22 H new ATOM 0 HB3 LYS A 58 -7.034 12.993 -5.662 1.00 24.22 H new ATOM 0 HG2 LYS A 58 -8.592 13.776 -7.124 1.00 2.14 H new ATOM 0 HG3 LYS A 58 -8.665 15.116 -5.998 1.00 2.14 H new ATOM 0 HD2 LYS A 58 -6.708 15.128 -8.312 1.00 44.24 H new ATOM 0 HD3 LYS A 58 -8.371 15.633 -8.534 1.00 44.24 H new ATOM 0 HE2 LYS A 58 -6.427 16.823 -6.514 1.00 25.12 H new ATOM 0 HE3 LYS A 58 -6.858 17.548 -8.050 1.00 25.12 H new ATOM 0 HZ1 LYS A 58 -8.278 18.600 -6.611 1.00 63.11 H new ATOM 0 HZ2 LYS A 58 -9.269 17.325 -7.136 1.00 63.11 H new ATOM 0 HZ3 LYS A 58 -8.500 17.235 -5.625 1.00 63.11 H new ATOM 896 N GLY A 59 -5.309 13.449 -3.040 1.00 12.43 N ATOM 897 CA GLY A 59 -5.226 12.573 -1.886 1.00 73.42 C ATOM 898 C GLY A 59 -4.073 11.594 -1.984 1.00 32.42 C ATOM 899 O GLY A 59 -2.940 11.896 -1.609 1.00 14.24 O ATOM 0 H GLY A 59 -4.413 13.674 -3.473 1.00 12.43 H new ATOM 0 HA2 GLY A 59 -5.112 13.175 -0.984 1.00 73.42 H new ATOM 0 HA3 GLY A 59 -6.160 12.021 -1.785 1.00 73.42 H new ATOM 903 N PRO A 60 -4.358 10.387 -2.497 1.00 42.52 N ATOM 904 CA PRO A 60 -3.349 9.336 -2.654 1.00 22.33 C ATOM 905 C PRO A 60 -2.331 9.666 -3.740 1.00 5.24 C ATOM 906 O PRO A 60 -2.666 9.715 -4.923 1.00 21.44 O ATOM 907 CB PRO A 60 -4.174 8.109 -3.050 1.00 21.31 C ATOM 908 CG PRO A 60 -5.403 8.666 -3.681 1.00 2.42 C ATOM 909 CD PRO A 60 -5.686 9.958 -2.965 1.00 34.11 C ATOM 0 HA PRO A 60 -2.761 9.197 -1.747 1.00 22.33 H new ATOM 0 HB2 PRO A 60 -3.627 7.471 -3.744 1.00 21.31 H new ATOM 0 HB3 PRO A 60 -4.417 7.498 -2.181 1.00 21.31 H new ATOM 0 HG2 PRO A 60 -5.252 8.835 -4.747 1.00 2.42 H new ATOM 0 HG3 PRO A 60 -6.240 7.974 -3.584 1.00 2.42 H new ATOM 0 HD2 PRO A 60 -6.135 10.696 -3.630 1.00 34.11 H new ATOM 0 HD3 PRO A 60 -6.377 9.814 -2.135 1.00 34.11 H new ATOM 917 N GLN A 61 -1.087 9.892 -3.329 1.00 42.11 N ATOM 918 CA GLN A 61 -0.020 10.218 -4.268 1.00 52.23 C ATOM 919 C GLN A 61 1.074 9.156 -4.239 1.00 43.52 C ATOM 920 O GLN A 61 1.230 8.439 -3.252 1.00 3.04 O ATOM 921 CB GLN A 61 0.574 11.589 -3.942 1.00 0.42 C ATOM 922 CG GLN A 61 2.075 11.671 -4.165 1.00 65.44 C ATOM 923 CD GLN A 61 2.624 13.066 -3.942 1.00 41.12 C ATOM 924 OE1 GLN A 61 2.163 14.032 -4.552 1.00 24.40 O ATOM 925 NE2 GLN A 61 3.614 13.180 -3.064 1.00 72.03 N ATOM 0 H GLN A 61 -0.794 9.855 -2.353 1.00 42.11 H new ATOM 0 HA GLN A 61 -0.448 10.245 -5.270 1.00 52.23 H new ATOM 0 HB2 GLN A 61 0.082 12.344 -4.556 1.00 0.42 H new ATOM 0 HB3 GLN A 61 0.356 11.832 -2.902 1.00 0.42 H new ATOM 0 HG2 GLN A 61 2.577 10.976 -3.492 1.00 65.44 H new ATOM 0 HG3 GLN A 61 2.305 11.353 -5.182 1.00 65.44 H new ATOM 0 HE21 GLN A 61 3.965 12.353 -2.581 1.00 72.03 H new ATOM 0 HE22 GLN A 61 4.023 14.095 -2.872 1.00 72.03 H new ATOM 934 N ALA A 62 1.829 9.062 -5.329 1.00 4.13 N ATOM 935 CA ALA A 62 2.910 8.089 -5.427 1.00 44.21 C ATOM 936 C ALA A 62 4.144 8.561 -4.666 1.00 25.14 C ATOM 937 O ALA A 62 5.221 8.717 -5.242 1.00 60.43 O ATOM 938 CB ALA A 62 3.255 7.829 -6.886 1.00 44.30 C ATOM 0 H ALA A 62 1.712 9.648 -6.156 1.00 4.13 H new ATOM 0 HA ALA A 62 2.570 7.158 -4.974 1.00 44.21 H new ATOM 0 HB1 ALA A 62 4.064 7.101 -6.944 1.00 44.30 H new ATOM 0 HB2 ALA A 62 2.378 7.440 -7.403 1.00 44.30 H new ATOM 0 HB3 ALA A 62 3.571 8.760 -7.357 1.00 44.30 H new ATOM 944 N LYS A 63 3.981 8.788 -3.367 1.00 25.24 N ATOM 945 CA LYS A 63 5.082 9.241 -2.525 1.00 1.54 C ATOM 946 C LYS A 63 6.370 8.498 -2.865 1.00 33.00 C ATOM 947 O LYS A 63 7.453 9.082 -2.871 1.00 4.32 O ATOM 948 CB LYS A 63 4.738 9.038 -1.047 1.00 45.23 C ATOM 949 CG LYS A 63 5.886 9.361 -0.106 1.00 12.51 C ATOM 950 CD LYS A 63 5.978 8.354 1.028 1.00 54.11 C ATOM 951 CE LYS A 63 6.148 6.937 0.502 1.00 3.11 C ATOM 952 NZ LYS A 63 7.382 6.294 1.032 1.00 21.42 N ATOM 0 H LYS A 63 3.096 8.666 -2.874 1.00 25.24 H new ATOM 0 HA LYS A 63 5.237 10.303 -2.713 1.00 1.54 H new ATOM 0 HB2 LYS A 63 3.883 9.664 -0.792 1.00 45.23 H new ATOM 0 HB3 LYS A 63 4.433 8.003 -0.892 1.00 45.23 H new ATOM 0 HG2 LYS A 63 6.823 9.369 -0.663 1.00 12.51 H new ATOM 0 HG3 LYS A 63 5.750 10.361 0.305 1.00 12.51 H new ATOM 0 HD2 LYS A 63 6.819 8.607 1.673 1.00 54.11 H new ATOM 0 HD3 LYS A 63 5.078 8.411 1.640 1.00 54.11 H new ATOM 0 HE2 LYS A 63 5.279 6.340 0.779 1.00 3.11 H new ATOM 0 HE3 LYS A 63 6.187 6.956 -0.587 1.00 3.11 H new ATOM 0 HZ1 LYS A 63 7.427 5.308 0.705 1.00 21.42 H new ATOM 0 HZ2 LYS A 63 8.217 6.811 0.690 1.00 21.42 H new ATOM 0 HZ3 LYS A 63 7.365 6.314 2.072 1.00 21.42 H new ATOM 966 N LYS A 64 6.244 7.206 -3.150 1.00 1.24 N ATOM 967 CA LYS A 64 7.397 6.382 -3.494 1.00 52.51 C ATOM 968 C LYS A 64 7.131 5.578 -4.763 1.00 2.24 C ATOM 969 O LYS A 64 6.330 4.644 -4.761 1.00 32.31 O ATOM 970 CB LYS A 64 7.737 5.437 -2.340 1.00 20.11 C ATOM 971 CG LYS A 64 9.152 4.889 -2.400 1.00 23.33 C ATOM 972 CD LYS A 64 10.059 5.574 -1.391 1.00 51.32 C ATOM 973 CE LYS A 64 10.434 4.638 -0.253 1.00 3.33 C ATOM 974 NZ LYS A 64 11.078 5.367 0.875 1.00 13.24 N ATOM 0 H LYS A 64 5.354 6.707 -3.150 1.00 1.24 H new ATOM 0 HA LYS A 64 8.244 7.043 -3.675 1.00 52.51 H new ATOM 0 HB2 LYS A 64 7.601 5.965 -1.396 1.00 20.11 H new ATOM 0 HB3 LYS A 64 7.033 4.605 -2.344 1.00 20.11 H new ATOM 0 HG2 LYS A 64 9.136 3.816 -2.207 1.00 23.33 H new ATOM 0 HG3 LYS A 64 9.554 5.026 -3.404 1.00 23.33 H new ATOM 0 HD2 LYS A 64 10.963 5.922 -1.890 1.00 51.32 H new ATOM 0 HD3 LYS A 64 9.558 6.455 -0.989 1.00 51.32 H new ATOM 0 HE2 LYS A 64 9.541 4.128 0.107 1.00 3.33 H new ATOM 0 HE3 LYS A 64 11.112 3.869 -0.623 1.00 3.33 H new ATOM 0 HZ1 LYS A 64 11.319 4.694 1.631 1.00 13.24 H new ATOM 0 HZ2 LYS A 64 11.944 5.833 0.538 1.00 13.24 H new ATOM 0 HZ3 LYS A 64 10.421 6.083 1.245 1.00 13.24 H new ATOM 988 N VAL A 65 7.810 5.947 -5.845 1.00 21.45 N ATOM 989 CA VAL A 65 7.649 5.258 -7.119 1.00 62.44 C ATOM 990 C VAL A 65 8.881 4.423 -7.452 1.00 51.13 C ATOM 991 O VAL A 65 10.012 4.840 -7.202 1.00 11.11 O ATOM 992 CB VAL A 65 7.391 6.253 -8.266 1.00 64.45 C ATOM 993 CG1 VAL A 65 8.337 5.986 -9.428 1.00 32.42 C ATOM 994 CG2 VAL A 65 5.941 6.178 -8.720 1.00 65.45 C ATOM 0 H VAL A 65 8.476 6.719 -5.864 1.00 21.45 H new ATOM 0 HA VAL A 65 6.785 4.601 -7.017 1.00 62.44 H new ATOM 0 HB VAL A 65 7.581 7.261 -7.899 1.00 64.45 H new ATOM 0 HG11 VAL A 65 8.140 6.699 -10.229 1.00 32.42 H new ATOM 0 HG12 VAL A 65 9.368 6.095 -9.091 1.00 32.42 H new ATOM 0 HG13 VAL A 65 8.182 4.972 -9.798 1.00 32.42 H new ATOM 0 HG21 VAL A 65 5.776 6.888 -9.531 1.00 65.45 H new ATOM 0 HG22 VAL A 65 5.721 5.169 -9.070 1.00 65.45 H new ATOM 0 HG23 VAL A 65 5.285 6.423 -7.885 1.00 65.45 H new ATOM 1004 N ARG A 66 8.654 3.243 -8.019 1.00 34.54 N ATOM 1005 CA ARG A 66 9.745 2.348 -8.386 1.00 1.44 C ATOM 1006 C ARG A 66 9.575 1.840 -9.814 1.00 54.23 C ATOM 1007 O ARG A 66 8.461 1.550 -10.252 1.00 20.35 O ATOM 1008 CB ARG A 66 9.812 1.166 -7.417 1.00 52.20 C ATOM 1009 CG ARG A 66 10.627 1.449 -6.166 1.00 15.45 C ATOM 1010 CD ARG A 66 12.071 1.001 -6.327 1.00 54.15 C ATOM 1011 NE ARG A 66 12.206 -0.450 -6.239 1.00 61.44 N ATOM 1012 CZ ARG A 66 13.251 -1.121 -6.711 1.00 45.20 C ATOM 1013 NH1 ARG A 66 14.247 -0.474 -7.300 1.00 43.44 N ATOM 1014 NH2 ARG A 66 13.302 -2.441 -6.593 1.00 63.50 N ATOM 0 H ARG A 66 7.724 2.884 -8.234 1.00 34.54 H new ATOM 0 HA ARG A 66 10.677 2.910 -8.327 1.00 1.44 H new ATOM 0 HB2 ARG A 66 8.799 0.889 -7.125 1.00 52.20 H new ATOM 0 HB3 ARG A 66 10.241 0.308 -7.934 1.00 52.20 H new ATOM 0 HG2 ARG A 66 10.599 2.516 -5.946 1.00 15.45 H new ATOM 0 HG3 ARG A 66 10.179 0.936 -5.315 1.00 15.45 H new ATOM 0 HD2 ARG A 66 12.452 1.343 -7.289 1.00 54.15 H new ATOM 0 HD3 ARG A 66 12.684 1.470 -5.557 1.00 54.15 H new ATOM 0 HE ARG A 66 11.457 -0.978 -5.791 1.00 61.44 H new ATOM 0 HH11 ARG A 66 14.212 0.541 -7.392 1.00 43.44 H new ATOM 0 HH12 ARG A 66 15.048 -0.991 -7.662 1.00 43.44 H new ATOM 0 HH21 ARG A 66 12.538 -2.942 -6.139 1.00 63.50 H new ATOM 0 HH22 ARG A 66 14.105 -2.955 -6.956 1.00 63.50 H new ATOM 1028 N ARG A 67 10.685 1.736 -10.536 1.00 45.23 N ATOM 1029 CA ARG A 67 10.659 1.265 -11.916 1.00 13.12 C ATOM 1030 C ARG A 67 10.538 -0.255 -11.969 1.00 23.12 C ATOM 1031 O ARG A 67 11.246 -0.969 -11.257 1.00 14.31 O ATOM 1032 CB ARG A 67 11.921 1.714 -12.655 1.00 31.52 C ATOM 1033 CG ARG A 67 13.178 0.982 -12.213 1.00 12.13 C ATOM 1034 CD ARG A 67 14.405 1.484 -12.957 1.00 4.45 C ATOM 1035 NE ARG A 67 14.451 0.994 -14.331 1.00 61.14 N ATOM 1036 CZ ARG A 67 15.300 1.449 -15.246 1.00 62.20 C ATOM 1037 NH1 ARG A 67 16.170 2.399 -14.933 1.00 50.45 N ATOM 1038 NH2 ARG A 67 15.281 0.952 -16.476 1.00 53.14 N ATOM 0 H ARG A 67 11.615 1.972 -10.189 1.00 45.23 H new ATOM 0 HA ARG A 67 9.787 1.699 -12.405 1.00 13.12 H new ATOM 0 HB2 ARG A 67 11.779 1.562 -13.725 1.00 31.52 H new ATOM 0 HB3 ARG A 67 12.061 2.784 -12.501 1.00 31.52 H new ATOM 0 HG2 ARG A 67 13.321 1.117 -11.141 1.00 12.13 H new ATOM 0 HG3 ARG A 67 13.058 -0.087 -12.387 1.00 12.13 H new ATOM 0 HD2 ARG A 67 14.406 2.574 -12.961 1.00 4.45 H new ATOM 0 HD3 ARG A 67 15.304 1.167 -12.429 1.00 4.45 H new ATOM 0 HE ARG A 67 13.795 0.262 -14.604 1.00 61.14 H new ATOM 0 HH11 ARG A 67 16.189 2.782 -13.988 1.00 50.45 H new ATOM 0 HH12 ARG A 67 16.821 2.747 -15.637 1.00 50.45 H new ATOM 0 HH21 ARG A 67 14.614 0.220 -16.720 1.00 53.14 H new ATOM 0 HH22 ARG A 67 15.933 1.302 -17.178 1.00 53.14 H new ATOM 1052 N ILE A 68 9.638 -0.743 -12.816 1.00 4.10 N ATOM 1053 CA ILE A 68 9.426 -2.178 -12.962 1.00 2.41 C ATOM 1054 C ILE A 68 9.218 -2.557 -14.424 1.00 51.41 C ATOM 1055 O ILE A 68 8.155 -2.312 -14.995 1.00 34.45 O ATOM 1056 CB ILE A 68 8.212 -2.653 -12.142 1.00 25.41 C ATOM 1057 CG1 ILE A 68 8.229 -2.018 -10.750 1.00 53.32 C ATOM 1058 CG2 ILE A 68 8.206 -4.171 -12.037 1.00 23.10 C ATOM 1059 CD1 ILE A 68 9.302 -2.578 -9.843 1.00 15.33 C ATOM 0 H ILE A 68 9.044 -0.166 -13.411 1.00 4.10 H new ATOM 0 HA ILE A 68 10.323 -2.670 -12.586 1.00 2.41 H new ATOM 0 HB ILE A 68 7.302 -2.339 -12.653 1.00 25.41 H new ATOM 0 HG12 ILE A 68 8.376 -0.943 -10.852 1.00 53.32 H new ATOM 0 HG13 ILE A 68 7.256 -2.164 -10.281 1.00 53.32 H new ATOM 0 HG21 ILE A 68 7.342 -4.492 -11.455 1.00 23.10 H new ATOM 0 HG22 ILE A 68 8.152 -4.605 -13.036 1.00 23.10 H new ATOM 0 HG23 ILE A 68 9.120 -4.505 -11.545 1.00 23.10 H new ATOM 0 HD11 ILE A 68 9.255 -2.082 -8.874 1.00 15.33 H new ATOM 0 HD12 ILE A 68 9.144 -3.648 -9.711 1.00 15.33 H new ATOM 0 HD13 ILE A 68 10.281 -2.408 -10.290 1.00 15.33 H new TER 1071 ILE A 68