USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1093 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 105 SER OG : rot -82:sc= 1.23 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.375 X(o=0.86,f=1.2) USER MOD Set 2.1: A 99 HIS : no HE2:sc= -0.147 K(o=1.3,f=0.29) USER MOD Set 2.2: A 115 TYR OH : rot 174:sc= 1.41 USER MOD Set 3.1: A 64 TYR OH : rot 46:sc= 0.787 USER MOD Set 3.2: A 81 ASN : amide:sc= 0.325 K(o=-0.62,f=-2.7!) USER MOD Set 3.3: A 84 HIS : no HD1:sc= -1.73 K(o=-0.62,f=-3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 0.599 (180deg=0.2) USER MOD Single : A 10 SER OG : rot 90:sc= 0.102 USER MOD Single : A 11 SER OG : rot 180:sc= -0.032 USER MOD Single : A 15 ASN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 22 TYR OH : rot 60:sc= 0.373 USER MOD Single : A 24 GLN : amide:sc= 0.207 K(o=0.21,f=-5.8!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 30 TYR OH : rot 30:sc= -0.278 USER MOD Single : A 32 MET CE :methyl -159:sc= -0.0431 (180deg=-0.427) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 170:sc= -0.0327 USER MOD Single : A 38 THR OG1 : rot -3:sc= 0.378 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 95:sc= 1.23 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -85:sc= 1.21 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.218 K(o=0.22,f=-0.88) USER MOD Single : A 71 ASN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.341 K(o=-0.34,f=-3.5!) USER MOD Single : A 74 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.01) USER MOD Single : A 75 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.28) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc=-0.00666 F(o=-1.2,f=-0.0067) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.382 USER MOD Single : A 103 TYR OH : rot 125:sc= 0.357 USER MOD Single : A 104 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=-0.011) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0522 K(o=-0.052,f=-0.7) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 121 TYR OH : rot 180:sc= -1.79! USER MOD Single : A 122 THR OG1 : rot 83:sc= 0.354 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 140 HIS : no HE2:sc= 0.0666 K(o=0.067,f=-1.3) USER MOD Single : A 141 HIS : no HD1:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 142 HIS : no HE2:sc= 1.46 K(o=1.5,f=-4.6!) USER MOD Single : A 143 HIS : no HE2:sc= 0.173 K(o=0.17,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.691 -8.389 -8.622 1.00 50.23 N ATOM 2 CA MET A 1 12.783 -9.540 -8.381 1.00 52.51 C ATOM 3 C MET A 1 11.338 -9.058 -8.072 1.00 14.32 C ATOM 4 O MET A 1 10.958 -8.930 -6.900 1.00 3.31 O ATOM 5 CB MET A 1 13.338 -10.450 -7.240 1.00 31.14 C ATOM 6 CG MET A 1 14.669 -11.137 -7.584 1.00 64.40 C ATOM 7 SD MET A 1 14.520 -12.193 -9.045 1.00 13.53 S ATOM 8 CE MET A 1 16.199 -12.774 -9.281 1.00 42.23 C ATOM 0 H1 MET A 1 14.470 -8.686 -9.244 1.00 50.23 H new ATOM 0 H2 MET A 1 13.161 -7.618 -9.075 1.00 50.23 H new ATOM 0 H3 MET A 1 14.079 -8.057 -7.716 1.00 50.23 H new ATOM 0 HA MET A 1 12.739 -10.136 -9.292 1.00 52.51 H new ATOM 0 HB2 MET A 1 13.473 -9.848 -6.341 1.00 31.14 H new ATOM 0 HB3 MET A 1 12.597 -11.213 -7.004 1.00 31.14 H new ATOM 0 HG2 MET A 1 15.434 -10.381 -7.758 1.00 64.40 H new ATOM 0 HG3 MET A 1 15.000 -11.735 -6.735 1.00 64.40 H new ATOM 0 HE1 MET A 1 16.238 -13.432 -10.149 1.00 42.23 H new ATOM 0 HE2 MET A 1 16.860 -11.922 -9.442 1.00 42.23 H new ATOM 0 HE3 MET A 1 16.522 -13.322 -8.396 1.00 42.23 H new ATOM 20 N PRO A 2 10.518 -8.722 -9.129 1.00 62.02 N ATOM 21 CA PRO A 2 9.060 -8.462 -8.967 1.00 23.51 C ATOM 22 C PRO A 2 8.305 -9.746 -8.516 1.00 62.53 C ATOM 23 O PRO A 2 8.122 -10.674 -9.309 1.00 52.44 O ATOM 24 CB PRO A 2 8.611 -7.982 -10.390 1.00 40.22 C ATOM 25 CG PRO A 2 9.886 -7.591 -11.083 1.00 12.24 C ATOM 26 CD PRO A 2 10.943 -8.524 -10.539 1.00 25.03 C ATOM 0 HA PRO A 2 8.840 -7.725 -8.195 1.00 23.51 H new ATOM 0 HB2 PRO A 2 8.094 -8.775 -10.930 1.00 40.22 H new ATOM 0 HB3 PRO A 2 7.922 -7.140 -10.324 1.00 40.22 H new ATOM 0 HG2 PRO A 2 9.792 -7.692 -12.164 1.00 12.24 H new ATOM 0 HG3 PRO A 2 10.139 -6.550 -10.881 1.00 12.24 H new ATOM 0 HD2 PRO A 2 10.972 -9.465 -11.088 1.00 25.03 H new ATOM 0 HD3 PRO A 2 11.939 -8.087 -10.603 1.00 25.03 H new ATOM 34 N LEU A 3 7.887 -9.792 -7.235 1.00 41.43 N ATOM 35 CA LEU A 3 7.316 -11.012 -6.614 1.00 24.12 C ATOM 36 C LEU A 3 5.792 -11.076 -6.890 1.00 45.25 C ATOM 37 O LEU A 3 5.049 -10.185 -6.488 1.00 51.53 O ATOM 38 CB LEU A 3 7.615 -11.023 -5.071 1.00 4.14 C ATOM 39 CG LEU A 3 7.900 -12.420 -4.404 1.00 1.42 C ATOM 40 CD1 LEU A 3 8.053 -12.294 -2.871 1.00 2.02 C ATOM 41 CD2 LEU A 3 6.843 -13.483 -4.776 1.00 20.21 C ATOM 0 H LEU A 3 7.934 -8.993 -6.603 1.00 41.43 H new ATOM 0 HA LEU A 3 7.781 -11.895 -7.053 1.00 24.12 H new ATOM 0 HB2 LEU A 3 8.476 -10.380 -4.889 1.00 4.14 H new ATOM 0 HB3 LEU A 3 6.766 -10.571 -4.559 1.00 4.14 H new ATOM 0 HG LEU A 3 8.850 -12.768 -4.810 1.00 1.42 H new ATOM 0 HD11 LEU A 3 8.249 -13.277 -2.443 1.00 2.02 H new ATOM 0 HD12 LEU A 3 8.884 -11.626 -2.642 1.00 2.02 H new ATOM 0 HD13 LEU A 3 7.134 -11.890 -2.446 1.00 2.02 H new ATOM 0 HD21 LEU A 3 7.089 -14.427 -4.289 1.00 20.21 H new ATOM 0 HD22 LEU A 3 5.859 -13.149 -4.445 1.00 20.21 H new ATOM 0 HD23 LEU A 3 6.834 -13.624 -5.857 1.00 20.21 H new ATOM 53 N GLU A 4 5.342 -12.160 -7.541 1.00 1.42 N ATOM 54 CA GLU A 4 3.939 -12.317 -7.994 1.00 22.32 C ATOM 55 C GLU A 4 3.228 -13.457 -7.237 1.00 64.15 C ATOM 56 O GLU A 4 3.812 -14.529 -7.022 1.00 0.54 O ATOM 57 CB GLU A 4 3.910 -12.634 -9.517 1.00 30.33 C ATOM 58 CG GLU A 4 2.495 -12.736 -10.135 1.00 14.14 C ATOM 59 CD GLU A 4 2.490 -13.332 -11.550 1.00 72.03 C ATOM 60 OE1 GLU A 4 2.802 -12.605 -12.521 1.00 41.22 O ATOM 61 OE2 GLU A 4 2.201 -14.546 -11.692 1.00 2.25 O ATOM 0 H GLU A 4 5.936 -12.956 -7.771 1.00 1.42 H new ATOM 0 HA GLU A 4 3.418 -11.382 -7.790 1.00 22.32 H new ATOM 0 HB2 GLU A 4 4.466 -11.859 -10.045 1.00 30.33 H new ATOM 0 HB3 GLU A 4 4.434 -13.575 -9.687 1.00 30.33 H new ATOM 0 HG2 GLU A 4 1.867 -13.349 -9.488 1.00 14.14 H new ATOM 0 HG3 GLU A 4 2.047 -11.743 -10.165 1.00 14.14 H new ATOM 68 N TRP A 5 1.964 -13.217 -6.829 1.00 11.03 N ATOM 69 CA TRP A 5 1.059 -14.288 -6.368 1.00 60.04 C ATOM 70 C TRP A 5 0.078 -14.686 -7.496 1.00 60.45 C ATOM 71 O TRP A 5 -0.443 -13.823 -8.212 1.00 12.04 O ATOM 72 CB TRP A 5 0.266 -13.888 -5.090 1.00 30.40 C ATOM 73 CG TRP A 5 -0.517 -15.054 -4.530 1.00 73.33 C ATOM 74 CD1 TRP A 5 0.008 -16.161 -3.938 1.00 53.10 C ATOM 75 CD2 TRP A 5 -1.939 -15.253 -4.554 1.00 32.05 C ATOM 76 NE1 TRP A 5 -0.985 -17.037 -3.613 1.00 50.12 N ATOM 77 CE2 TRP A 5 -2.187 -16.504 -3.964 1.00 43.23 C ATOM 78 CE3 TRP A 5 -3.025 -14.498 -5.009 1.00 22.11 C ATOM 79 CZ2 TRP A 5 -3.463 -17.027 -3.831 1.00 15.42 C ATOM 80 CZ3 TRP A 5 -4.295 -15.018 -4.871 1.00 60.24 C ATOM 81 CH2 TRP A 5 -4.504 -16.271 -4.285 1.00 51.40 C ATOM 0 H TRP A 5 1.547 -12.286 -6.810 1.00 11.03 H new ATOM 0 HA TRP A 5 1.684 -15.142 -6.108 1.00 60.04 H new ATOM 0 HB2 TRP A 5 0.958 -13.517 -4.334 1.00 30.40 H new ATOM 0 HB3 TRP A 5 -0.416 -13.071 -5.326 1.00 30.40 H new ATOM 0 HD1 TRP A 5 1.060 -16.322 -3.752 1.00 53.10 H new ATOM 0 HE1 TRP A 5 -0.848 -17.948 -3.176 1.00 50.12 H new ATOM 0 HE3 TRP A 5 -2.872 -13.528 -5.459 1.00 22.11 H new ATOM 0 HZ2 TRP A 5 -3.627 -17.997 -3.385 1.00 15.42 H new ATOM 0 HZ3 TRP A 5 -5.143 -14.448 -5.221 1.00 60.24 H new ATOM 0 HH2 TRP A 5 -5.512 -16.648 -4.190 1.00 51.40 H new ATOM 92 N ARG A 6 -0.164 -16.000 -7.635 1.00 71.42 N ATOM 93 CA ARG A 6 -1.176 -16.558 -8.566 1.00 3.53 C ATOM 94 C ARG A 6 -1.994 -17.683 -7.881 1.00 62.45 C ATOM 95 O ARG A 6 -1.637 -18.152 -6.791 1.00 70.12 O ATOM 96 CB ARG A 6 -0.537 -17.058 -9.903 1.00 64.31 C ATOM 97 CG ARG A 6 0.357 -18.322 -9.812 1.00 13.52 C ATOM 98 CD ARG A 6 1.672 -18.094 -9.046 1.00 45.25 C ATOM 99 NE ARG A 6 2.469 -16.999 -9.633 1.00 55.23 N ATOM 100 CZ ARG A 6 3.772 -16.981 -9.755 1.00 51.52 C ATOM 101 NH1 ARG A 6 4.501 -17.993 -9.411 1.00 32.31 N ATOM 102 NH2 ARG A 6 4.342 -15.952 -10.262 1.00 2.51 N ATOM 0 H ARG A 6 0.336 -16.714 -7.105 1.00 71.42 H new ATOM 0 HA ARG A 6 -1.857 -15.748 -8.825 1.00 3.53 H new ATOM 0 HB2 ARG A 6 -1.341 -17.259 -10.611 1.00 64.31 H new ATOM 0 HB3 ARG A 6 0.060 -16.247 -10.320 1.00 64.31 H new ATOM 0 HG2 ARG A 6 -0.204 -19.119 -9.324 1.00 13.52 H new ATOM 0 HG3 ARG A 6 0.589 -18.666 -10.820 1.00 13.52 H new ATOM 0 HD2 ARG A 6 1.450 -17.863 -8.004 1.00 45.25 H new ATOM 0 HD3 ARG A 6 2.259 -19.013 -9.051 1.00 45.25 H new ATOM 0 HE ARG A 6 1.959 -16.184 -9.974 1.00 55.23 H new ATOM 0 HH11 ARG A 6 4.062 -18.833 -9.034 1.00 32.31 H new ATOM 0 HH12 ARG A 6 5.515 -17.951 -9.517 1.00 32.31 H new ATOM 0 HH21 ARG A 6 3.781 -15.156 -10.566 1.00 2.51 H new ATOM 0 HH22 ARG A 6 5.357 -15.928 -10.361 1.00 2.51 H new ATOM 116 N ALA A 7 -3.087 -18.110 -8.543 1.00 0.41 N ATOM 117 CA ALA A 7 -3.966 -19.195 -8.049 1.00 62.23 C ATOM 118 C ALA A 7 -3.202 -20.544 -7.966 1.00 24.12 C ATOM 119 O ALA A 7 -2.475 -20.910 -8.900 1.00 41.13 O ATOM 120 CB ALA A 7 -5.202 -19.321 -8.958 1.00 3.34 C ATOM 0 H ALA A 7 -3.387 -17.715 -9.434 1.00 0.41 H new ATOM 0 HA ALA A 7 -4.293 -18.942 -7.041 1.00 62.23 H new ATOM 0 HB1 ALA A 7 -5.845 -20.121 -8.590 1.00 3.34 H new ATOM 0 HB2 ALA A 7 -5.754 -18.381 -8.954 1.00 3.34 H new ATOM 0 HB3 ALA A 7 -4.884 -19.551 -9.975 1.00 3.34 H new ATOM 126 N GLY A 8 -3.356 -21.261 -6.834 1.00 71.21 N ATOM 127 CA GLY A 8 -2.687 -22.560 -6.622 1.00 1.31 C ATOM 128 C GLY A 8 -1.336 -22.488 -5.889 1.00 32.12 C ATOM 129 O GLY A 8 -0.727 -23.534 -5.641 1.00 3.52 O ATOM 0 H GLY A 8 -3.939 -20.961 -6.052 1.00 71.21 H new ATOM 0 HA2 GLY A 8 -3.356 -23.207 -6.055 1.00 1.31 H new ATOM 0 HA3 GLY A 8 -2.532 -23.033 -7.591 1.00 1.31 H new ATOM 133 N ALA A 9 -0.854 -21.267 -5.561 1.00 23.44 N ATOM 134 CA ALA A 9 0.436 -21.070 -4.835 1.00 30.45 C ATOM 135 C ALA A 9 0.388 -21.639 -3.389 1.00 72.10 C ATOM 136 O ALA A 9 -0.675 -21.673 -2.760 1.00 33.23 O ATOM 137 CB ALA A 9 0.824 -19.580 -4.825 1.00 20.30 C ATOM 0 H ALA A 9 -1.336 -20.397 -5.786 1.00 23.44 H new ATOM 0 HA ALA A 9 1.202 -21.630 -5.372 1.00 30.45 H new ATOM 0 HB1 ALA A 9 1.766 -19.453 -4.292 1.00 20.30 H new ATOM 0 HB2 ALA A 9 0.936 -19.226 -5.850 1.00 20.30 H new ATOM 0 HB3 ALA A 9 0.045 -19.004 -4.326 1.00 20.30 H new ATOM 143 N SER A 10 1.564 -22.052 -2.865 1.00 62.40 N ATOM 144 CA SER A 10 1.671 -22.785 -1.568 1.00 14.14 C ATOM 145 C SER A 10 1.649 -21.824 -0.361 1.00 62.43 C ATOM 146 O SER A 10 1.989 -20.651 -0.495 1.00 32.31 O ATOM 147 CB SER A 10 2.973 -23.626 -1.521 1.00 11.25 C ATOM 148 OG SER A 10 3.071 -24.498 -2.628 1.00 41.14 O ATOM 0 H SER A 10 2.463 -21.892 -3.319 1.00 62.40 H new ATOM 0 HA SER A 10 0.804 -23.442 -1.504 1.00 14.14 H new ATOM 0 HB2 SER A 10 3.836 -22.960 -1.504 1.00 11.25 H new ATOM 0 HB3 SER A 10 2.999 -24.205 -0.598 1.00 11.25 H new ATOM 0 HG SER A 10 3.535 -24.044 -3.362 1.00 41.14 H new ATOM 154 N SER A 11 1.297 -22.369 0.821 1.00 71.14 N ATOM 155 CA SER A 11 1.113 -21.594 2.078 1.00 74.21 C ATOM 156 C SER A 11 2.358 -20.748 2.450 1.00 11.44 C ATOM 157 O SER A 11 2.250 -19.543 2.712 1.00 42.25 O ATOM 158 CB SER A 11 0.769 -22.562 3.237 1.00 51.11 C ATOM 159 OG SER A 11 1.825 -23.483 3.480 1.00 12.21 O ATOM 0 H SER A 11 1.129 -23.368 0.937 1.00 71.14 H new ATOM 0 HA SER A 11 0.293 -20.895 1.911 1.00 74.21 H new ATOM 0 HB2 SER A 11 0.569 -21.990 4.143 1.00 51.11 H new ATOM 0 HB3 SER A 11 -0.143 -23.108 2.997 1.00 51.11 H new ATOM 0 HG SER A 11 1.577 -24.078 4.218 1.00 12.21 H new ATOM 165 N ASP A 12 3.536 -21.397 2.419 1.00 44.51 N ATOM 166 CA ASP A 12 4.841 -20.756 2.716 1.00 44.23 C ATOM 167 C ASP A 12 5.157 -19.601 1.725 1.00 60.30 C ATOM 168 O ASP A 12 5.723 -18.574 2.120 1.00 42.14 O ATOM 169 CB ASP A 12 5.971 -21.824 2.694 1.00 5.55 C ATOM 170 CG ASP A 12 6.035 -22.606 1.370 1.00 44.01 C ATOM 171 OD1 ASP A 12 5.246 -23.556 1.200 1.00 35.12 O ATOM 172 OD2 ASP A 12 6.859 -22.263 0.491 1.00 54.23 O ATOM 0 H ASP A 12 3.615 -22.387 2.186 1.00 44.51 H new ATOM 0 HA ASP A 12 4.782 -20.317 3.712 1.00 44.23 H new ATOM 0 HB2 ASP A 12 6.929 -21.334 2.867 1.00 5.55 H new ATOM 0 HB3 ASP A 12 5.818 -22.524 3.516 1.00 5.55 H new ATOM 177 N GLU A 13 4.769 -19.791 0.443 1.00 10.13 N ATOM 178 CA GLU A 13 4.933 -18.773 -0.617 1.00 32.31 C ATOM 179 C GLU A 13 4.060 -17.535 -0.337 1.00 24.41 C ATOM 180 O GLU A 13 4.560 -16.410 -0.357 1.00 62.35 O ATOM 181 CB GLU A 13 4.576 -19.354 -2.014 1.00 24.33 C ATOM 182 CG GLU A 13 5.441 -20.548 -2.455 1.00 33.53 C ATOM 183 CD GLU A 13 5.082 -21.053 -3.866 1.00 50.55 C ATOM 184 OE1 GLU A 13 5.360 -20.337 -4.847 1.00 51.45 O ATOM 185 OE2 GLU A 13 4.522 -22.157 -4.002 1.00 5.45 O ATOM 0 H GLU A 13 4.334 -20.654 0.116 1.00 10.13 H new ATOM 0 HA GLU A 13 5.981 -18.474 -0.617 1.00 32.31 H new ATOM 0 HB2 GLU A 13 3.531 -19.663 -2.007 1.00 24.33 H new ATOM 0 HB3 GLU A 13 4.669 -18.561 -2.757 1.00 24.33 H new ATOM 0 HG2 GLU A 13 6.491 -20.258 -2.434 1.00 33.53 H new ATOM 0 HG3 GLU A 13 5.321 -21.362 -1.740 1.00 33.53 H new ATOM 192 N ILE A 14 2.760 -17.763 -0.036 1.00 23.23 N ATOM 193 CA ILE A 14 1.781 -16.665 0.159 1.00 44.24 C ATOM 194 C ILE A 14 2.156 -15.788 1.372 1.00 70.10 C ATOM 195 O ILE A 14 2.079 -14.577 1.290 1.00 14.01 O ATOM 196 CB ILE A 14 0.301 -17.174 0.342 1.00 33.52 C ATOM 197 CG1 ILE A 14 -0.072 -18.228 -0.746 1.00 23.33 C ATOM 198 CG2 ILE A 14 -0.696 -15.977 0.316 1.00 44.41 C ATOM 199 CD1 ILE A 14 -1.508 -18.728 -0.691 1.00 11.04 C ATOM 0 H ILE A 14 2.364 -18.696 0.077 1.00 23.23 H new ATOM 0 HA ILE A 14 1.824 -16.077 -0.758 1.00 44.24 H new ATOM 0 HB ILE A 14 0.230 -17.661 1.315 1.00 33.52 H new ATOM 0 HG12 ILE A 14 0.108 -17.793 -1.729 1.00 23.33 H new ATOM 0 HG13 ILE A 14 0.598 -19.082 -0.648 1.00 23.33 H new ATOM 0 HG21 ILE A 14 -1.713 -16.348 0.444 1.00 44.41 H new ATOM 0 HG22 ILE A 14 -0.457 -15.287 1.125 1.00 44.41 H new ATOM 0 HG23 ILE A 14 -0.616 -15.458 -0.639 1.00 44.41 H new ATOM 0 HD11 ILE A 14 -1.670 -19.456 -1.486 1.00 11.04 H new ATOM 0 HD12 ILE A 14 -1.693 -19.198 0.275 1.00 11.04 H new ATOM 0 HD13 ILE A 14 -2.191 -17.889 -0.823 1.00 11.04 H new ATOM 211 N ASN A 15 2.572 -16.423 2.489 1.00 72.44 N ATOM 212 CA ASN A 15 3.010 -15.703 3.718 1.00 52.53 C ATOM 213 C ASN A 15 4.347 -14.945 3.516 1.00 71.44 C ATOM 214 O ASN A 15 4.587 -13.923 4.170 1.00 22.30 O ATOM 215 CB ASN A 15 3.081 -16.654 4.935 1.00 1.31 C ATOM 216 CG ASN A 15 1.692 -17.036 5.458 1.00 21.51 C ATOM 217 OD1 ASN A 15 1.114 -16.335 6.280 1.00 24.44 O ATOM 218 ND2 ASN A 15 1.151 -18.143 5.004 1.00 3.22 N ATOM 0 H ASN A 15 2.616 -17.439 2.571 1.00 72.44 H new ATOM 0 HA ASN A 15 2.250 -14.950 3.926 1.00 52.53 H new ATOM 0 HB2 ASN A 15 3.623 -17.558 4.656 1.00 1.31 H new ATOM 0 HB3 ASN A 15 3.649 -16.176 5.734 1.00 1.31 H new ATOM 0 HD21 ASN A 15 0.232 -18.435 5.336 1.00 3.22 H new ATOM 0 HD22 ASN A 15 1.650 -18.711 4.320 1.00 3.22 H new ATOM 225 N ALA A 16 5.217 -15.458 2.625 1.00 1.41 N ATOM 226 CA ALA A 16 6.444 -14.733 2.198 1.00 15.30 C ATOM 227 C ALA A 16 6.086 -13.478 1.348 1.00 3.03 C ATOM 228 O ALA A 16 6.751 -12.442 1.441 1.00 50.02 O ATOM 229 CB ALA A 16 7.373 -15.669 1.411 1.00 1.25 C ATOM 0 H ALA A 16 5.099 -16.370 2.184 1.00 1.41 H new ATOM 0 HA ALA A 16 6.966 -14.395 3.093 1.00 15.30 H new ATOM 0 HB1 ALA A 16 8.266 -15.123 1.106 1.00 1.25 H new ATOM 0 HB2 ALA A 16 7.660 -16.511 2.041 1.00 1.25 H new ATOM 0 HB3 ALA A 16 6.854 -16.038 0.527 1.00 1.25 H new ATOM 235 N ILE A 17 5.029 -13.605 0.520 1.00 32.13 N ATOM 236 CA ILE A 17 4.450 -12.492 -0.283 1.00 2.33 C ATOM 237 C ILE A 17 3.744 -11.457 0.631 1.00 62.32 C ATOM 238 O ILE A 17 3.868 -10.248 0.424 1.00 11.43 O ATOM 239 CB ILE A 17 3.452 -13.074 -1.362 1.00 11.34 C ATOM 240 CG1 ILE A 17 4.237 -13.984 -2.359 1.00 12.31 C ATOM 241 CG2 ILE A 17 2.665 -11.967 -2.111 1.00 34.10 C ATOM 242 CD1 ILE A 17 3.390 -14.769 -3.343 1.00 34.40 C ATOM 0 H ILE A 17 4.543 -14.491 0.384 1.00 32.13 H new ATOM 0 HA ILE A 17 5.258 -11.973 -0.799 1.00 2.33 H new ATOM 0 HB ILE A 17 2.704 -13.670 -0.838 1.00 11.34 H new ATOM 0 HG12 ILE A 17 4.930 -13.360 -2.923 1.00 12.31 H new ATOM 0 HG13 ILE A 17 4.838 -14.688 -1.783 1.00 12.31 H new ATOM 0 HG21 ILE A 17 1.996 -12.426 -2.839 1.00 34.10 H new ATOM 0 HG22 ILE A 17 2.081 -11.388 -1.395 1.00 34.10 H new ATOM 0 HG23 ILE A 17 3.364 -11.308 -2.626 1.00 34.10 H new ATOM 0 HD11 ILE A 17 4.038 -15.365 -3.986 1.00 34.40 H new ATOM 0 HD12 ILE A 17 2.714 -15.428 -2.797 1.00 34.40 H new ATOM 0 HD13 ILE A 17 2.809 -14.079 -3.954 1.00 34.40 H new ATOM 254 N ILE A 18 3.034 -11.963 1.659 1.00 25.42 N ATOM 255 CA ILE A 18 2.395 -11.138 2.710 1.00 2.03 C ATOM 256 C ILE A 18 3.454 -10.283 3.432 1.00 24.43 C ATOM 257 O ILE A 18 3.265 -9.093 3.644 1.00 14.00 O ATOM 258 CB ILE A 18 1.641 -12.042 3.771 1.00 40.22 C ATOM 259 CG1 ILE A 18 0.371 -12.716 3.161 1.00 51.50 C ATOM 260 CG2 ILE A 18 1.278 -11.261 5.055 1.00 51.42 C ATOM 261 CD1 ILE A 18 -0.331 -13.693 4.099 1.00 12.05 C ATOM 0 H ILE A 18 2.885 -12.964 1.786 1.00 25.42 H new ATOM 0 HA ILE A 18 1.666 -10.489 2.224 1.00 2.03 H new ATOM 0 HB ILE A 18 2.341 -12.829 4.052 1.00 40.22 H new ATOM 0 HG12 ILE A 18 -0.335 -11.938 2.870 1.00 51.50 H new ATOM 0 HG13 ILE A 18 0.656 -13.244 2.251 1.00 51.50 H new ATOM 0 HG21 ILE A 18 0.763 -11.924 5.751 1.00 51.42 H new ATOM 0 HG22 ILE A 18 2.188 -10.883 5.520 1.00 51.42 H new ATOM 0 HG23 ILE A 18 0.626 -10.425 4.800 1.00 51.42 H new ATOM 0 HD11 ILE A 18 -1.202 -14.116 3.598 1.00 12.05 H new ATOM 0 HD12 ILE A 18 0.356 -14.494 4.371 1.00 12.05 H new ATOM 0 HD13 ILE A 18 -0.650 -13.168 4.999 1.00 12.05 H new ATOM 273 N ARG A 19 4.567 -10.933 3.799 1.00 21.41 N ATOM 274 CA ARG A 19 5.697 -10.292 4.490 1.00 12.53 C ATOM 275 C ARG A 19 6.460 -9.306 3.574 1.00 64.40 C ATOM 276 O ARG A 19 6.966 -8.289 4.047 1.00 50.14 O ATOM 277 CB ARG A 19 6.632 -11.383 5.054 1.00 24.41 C ATOM 278 CG ARG A 19 7.915 -10.857 5.730 1.00 22.25 C ATOM 279 CD ARG A 19 8.566 -11.900 6.648 1.00 54.05 C ATOM 280 NE ARG A 19 8.884 -13.156 5.953 1.00 14.24 N ATOM 281 CZ ARG A 19 8.574 -14.365 6.370 1.00 72.33 C ATOM 282 NH1 ARG A 19 7.912 -14.552 7.475 1.00 65.04 N ATOM 283 NH2 ARG A 19 8.938 -15.383 5.675 1.00 72.20 N ATOM 0 H ARG A 19 4.711 -11.927 3.624 1.00 21.41 H new ATOM 0 HA ARG A 19 5.306 -9.695 5.313 1.00 12.53 H new ATOM 0 HB2 ARG A 19 6.076 -11.978 5.778 1.00 24.41 H new ATOM 0 HB3 ARG A 19 6.916 -12.052 4.242 1.00 24.41 H new ATOM 0 HG2 ARG A 19 8.629 -10.557 4.963 1.00 22.25 H new ATOM 0 HG3 ARG A 19 7.677 -9.965 6.310 1.00 22.25 H new ATOM 0 HD2 ARG A 19 9.480 -11.484 7.071 1.00 54.05 H new ATOM 0 HD3 ARG A 19 7.896 -12.112 7.481 1.00 54.05 H new ATOM 0 HE ARG A 19 9.389 -13.084 5.070 1.00 14.24 H new ATOM 0 HH11 ARG A 19 7.622 -13.752 8.038 1.00 65.04 H new ATOM 0 HH12 ARG A 19 7.683 -15.499 7.778 1.00 65.04 H new ATOM 0 HH21 ARG A 19 9.462 -15.249 4.810 1.00 72.20 H new ATOM 0 HH22 ARG A 19 8.703 -16.325 5.989 1.00 72.20 H new ATOM 297 N ALA A 20 6.522 -9.615 2.264 1.00 1.10 N ATOM 298 CA ALA A 20 7.117 -8.708 1.249 1.00 43.55 C ATOM 299 C ALA A 20 6.294 -7.400 1.132 1.00 31.12 C ATOM 300 O ALA A 20 6.858 -6.305 1.009 1.00 4.10 O ATOM 301 CB ALA A 20 7.204 -9.421 -0.111 1.00 54.44 C ATOM 0 H ALA A 20 6.167 -10.489 1.877 1.00 1.10 H new ATOM 0 HA ALA A 20 8.125 -8.443 1.568 1.00 43.55 H new ATOM 0 HB1 ALA A 20 7.642 -8.747 -0.848 1.00 54.44 H new ATOM 0 HB2 ALA A 20 7.828 -10.310 -0.017 1.00 54.44 H new ATOM 0 HB3 ALA A 20 6.204 -9.712 -0.434 1.00 54.44 H new ATOM 307 N VAL A 21 4.952 -7.549 1.197 1.00 72.24 N ATOM 308 CA VAL A 21 4.003 -6.417 1.235 1.00 54.21 C ATOM 309 C VAL A 21 4.134 -5.636 2.566 1.00 63.35 C ATOM 310 O VAL A 21 4.288 -4.429 2.555 1.00 13.24 O ATOM 311 CB VAL A 21 2.518 -6.906 1.045 1.00 74.13 C ATOM 312 CG1 VAL A 21 1.501 -5.758 1.256 1.00 21.04 C ATOM 313 CG2 VAL A 21 2.314 -7.565 -0.341 1.00 61.00 C ATOM 0 H VAL A 21 4.497 -8.461 1.225 1.00 72.24 H new ATOM 0 HA VAL A 21 4.254 -5.753 0.408 1.00 54.21 H new ATOM 0 HB VAL A 21 2.333 -7.658 1.812 1.00 74.13 H new ATOM 0 HG11 VAL A 21 0.489 -6.138 1.116 1.00 21.04 H new ATOM 0 HG12 VAL A 21 1.603 -5.362 2.267 1.00 21.04 H new ATOM 0 HG13 VAL A 21 1.694 -4.964 0.534 1.00 21.04 H new ATOM 0 HG21 VAL A 21 1.279 -7.891 -0.440 1.00 61.00 H new ATOM 0 HG22 VAL A 21 2.543 -6.843 -1.125 1.00 61.00 H new ATOM 0 HG23 VAL A 21 2.976 -8.426 -0.436 1.00 61.00 H new ATOM 323 N TYR A 22 4.093 -6.360 3.696 1.00 62.21 N ATOM 324 CA TYR A 22 4.210 -5.790 5.067 1.00 61.42 C ATOM 325 C TYR A 22 5.502 -4.953 5.237 1.00 42.04 C ATOM 326 O TYR A 22 5.477 -3.852 5.795 1.00 44.12 O ATOM 327 CB TYR A 22 4.160 -6.942 6.131 1.00 23.14 C ATOM 328 CG TYR A 22 2.785 -7.163 6.791 1.00 33.52 C ATOM 329 CD1 TYR A 22 1.700 -7.655 6.065 1.00 20.44 C ATOM 330 CD2 TYR A 22 2.586 -6.882 8.147 1.00 31.04 C ATOM 331 CE1 TYR A 22 0.467 -7.849 6.664 1.00 43.35 C ATOM 332 CE2 TYR A 22 1.357 -7.074 8.746 1.00 44.22 C ATOM 333 CZ TYR A 22 0.301 -7.560 8.002 1.00 31.11 C ATOM 334 OH TYR A 22 -0.917 -7.765 8.603 1.00 55.04 O ATOM 0 H TYR A 22 3.976 -7.373 3.693 1.00 62.21 H new ATOM 0 HA TYR A 22 3.366 -5.118 5.222 1.00 61.42 H new ATOM 0 HB2 TYR A 22 4.470 -7.871 5.653 1.00 23.14 H new ATOM 0 HB3 TYR A 22 4.890 -6.727 6.911 1.00 23.14 H new ATOM 0 HD1 TYR A 22 1.824 -7.889 5.018 1.00 20.44 H new ATOM 0 HD2 TYR A 22 3.410 -6.508 8.737 1.00 31.04 H new ATOM 0 HE1 TYR A 22 -0.363 -8.226 6.085 1.00 43.35 H new ATOM 0 HE2 TYR A 22 1.222 -6.845 9.793 1.00 44.22 H new ATOM 0 HH TYR A 22 -1.165 -8.710 8.526 1.00 55.04 H new ATOM 344 N ARG A 23 6.620 -5.487 4.729 1.00 4.20 N ATOM 345 CA ARG A 23 7.939 -4.830 4.824 1.00 71.02 C ATOM 346 C ARG A 23 7.949 -3.551 3.961 1.00 21.44 C ATOM 347 O ARG A 23 8.425 -2.513 4.408 1.00 30.20 O ATOM 348 CB ARG A 23 9.068 -5.834 4.417 1.00 25.51 C ATOM 349 CG ARG A 23 10.502 -5.551 4.984 1.00 52.33 C ATOM 350 CD ARG A 23 11.440 -4.765 4.030 1.00 74.34 C ATOM 351 NE ARG A 23 11.094 -3.334 3.908 1.00 40.15 N ATOM 352 CZ ARG A 23 11.124 -2.623 2.794 1.00 2.43 C ATOM 353 NH1 ARG A 23 11.354 -3.178 1.646 1.00 45.22 N ATOM 354 NH2 ARG A 23 10.869 -1.360 2.839 1.00 62.33 N ATOM 0 H ARG A 23 6.641 -6.383 4.242 1.00 4.20 H new ATOM 0 HA ARG A 23 8.132 -4.530 5.854 1.00 71.02 H new ATOM 0 HB2 ARG A 23 8.767 -6.832 4.736 1.00 25.51 H new ATOM 0 HB3 ARG A 23 9.130 -5.853 3.329 1.00 25.51 H new ATOM 0 HG2 ARG A 23 10.405 -4.993 5.915 1.00 52.33 H new ATOM 0 HG3 ARG A 23 10.973 -6.502 5.230 1.00 52.33 H new ATOM 0 HD2 ARG A 23 12.466 -4.853 4.388 1.00 74.34 H new ATOM 0 HD3 ARG A 23 11.407 -5.224 3.042 1.00 74.34 H new ATOM 0 HE ARG A 23 10.806 -2.851 4.759 1.00 40.15 H new ATOM 0 HH11 ARG A 23 11.517 -4.183 1.589 1.00 45.22 H new ATOM 0 HH12 ARG A 23 11.372 -2.610 0.799 1.00 45.22 H new ATOM 0 HH21 ARG A 23 10.646 -0.916 3.730 1.00 62.33 H new ATOM 0 HH22 ARG A 23 10.890 -0.805 1.984 1.00 62.33 H new ATOM 368 N GLN A 24 7.386 -3.632 2.740 1.00 52.44 N ATOM 369 CA GLN A 24 7.301 -2.469 1.820 1.00 2.11 C ATOM 370 C GLN A 24 6.347 -1.367 2.338 1.00 74.11 C ATOM 371 O GLN A 24 6.722 -0.202 2.358 1.00 22.02 O ATOM 372 CB GLN A 24 6.865 -2.931 0.390 1.00 24.43 C ATOM 373 CG GLN A 24 8.030 -3.278 -0.557 1.00 33.33 C ATOM 374 CD GLN A 24 8.878 -2.053 -0.937 1.00 14.24 C ATOM 375 OE1 GLN A 24 9.884 -1.740 -0.304 1.00 61.33 O ATOM 376 NE2 GLN A 24 8.453 -1.328 -1.957 1.00 72.31 N ATOM 0 H GLN A 24 6.982 -4.489 2.363 1.00 52.44 H new ATOM 0 HA GLN A 24 8.299 -2.033 1.772 1.00 2.11 H new ATOM 0 HB2 GLN A 24 6.220 -3.804 0.486 1.00 24.43 H new ATOM 0 HB3 GLN A 24 6.267 -2.142 -0.066 1.00 24.43 H new ATOM 0 HG2 GLN A 24 8.669 -4.022 -0.081 1.00 33.33 H new ATOM 0 HG3 GLN A 24 7.631 -3.733 -1.464 1.00 33.33 H new ATOM 0 HE21 GLN A 24 7.615 -1.608 -2.467 1.00 72.31 H new ATOM 0 HE22 GLN A 24 8.963 -0.489 -2.234 1.00 72.31 H new ATOM 385 N VAL A 25 5.153 -1.759 2.810 1.00 2.33 N ATOM 386 CA VAL A 25 4.066 -0.813 3.146 1.00 5.14 C ATOM 387 C VAL A 25 4.337 -0.068 4.473 1.00 63.03 C ATOM 388 O VAL A 25 4.051 1.120 4.571 1.00 52.10 O ATOM 389 CB VAL A 25 2.659 -1.514 3.184 1.00 3.05 C ATOM 390 CG1 VAL A 25 1.555 -0.543 3.665 1.00 14.40 C ATOM 391 CG2 VAL A 25 2.290 -2.108 1.797 1.00 53.15 C ATOM 0 H VAL A 25 4.910 -2.737 2.971 1.00 2.33 H new ATOM 0 HA VAL A 25 4.047 -0.075 2.344 1.00 5.14 H new ATOM 0 HB VAL A 25 2.726 -2.332 3.901 1.00 3.05 H new ATOM 0 HG11 VAL A 25 0.596 -1.061 3.679 1.00 14.40 H new ATOM 0 HG12 VAL A 25 1.792 -0.191 4.669 1.00 14.40 H new ATOM 0 HG13 VAL A 25 1.498 0.308 2.986 1.00 14.40 H new ATOM 0 HG21 VAL A 25 1.312 -2.586 1.854 1.00 53.15 H new ATOM 0 HG22 VAL A 25 2.261 -1.310 1.055 1.00 53.15 H new ATOM 0 HG23 VAL A 25 3.038 -2.846 1.506 1.00 53.15 H new ATOM 401 N LEU A 26 4.874 -0.758 5.491 1.00 41.42 N ATOM 402 CA LEU A 26 5.298 -0.087 6.745 1.00 72.31 C ATOM 403 C LEU A 26 6.734 0.488 6.600 1.00 42.44 C ATOM 404 O LEU A 26 7.109 1.425 7.310 1.00 70.20 O ATOM 405 CB LEU A 26 5.177 -1.032 7.988 1.00 2.35 C ATOM 406 CG LEU A 26 3.708 -1.452 8.394 1.00 52.10 C ATOM 407 CD1 LEU A 26 3.196 -2.654 7.572 1.00 31.22 C ATOM 408 CD2 LEU A 26 3.573 -1.718 9.913 1.00 31.51 C ATOM 0 H LEU A 26 5.026 -1.766 5.479 1.00 41.42 H new ATOM 0 HA LEU A 26 4.616 0.745 6.921 1.00 72.31 H new ATOM 0 HB2 LEU A 26 5.751 -1.937 7.790 1.00 2.35 H new ATOM 0 HB3 LEU A 26 5.643 -0.539 8.842 1.00 2.35 H new ATOM 0 HG LEU A 26 3.073 -0.599 8.155 1.00 52.10 H new ATOM 0 HD11 LEU A 26 2.183 -2.905 7.887 1.00 31.22 H new ATOM 0 HD12 LEU A 26 3.193 -2.396 6.513 1.00 31.22 H new ATOM 0 HD13 LEU A 26 3.850 -3.511 7.735 1.00 31.22 H new ATOM 0 HD21 LEU A 26 2.546 -2.003 10.143 1.00 31.51 H new ATOM 0 HD22 LEU A 26 4.247 -2.524 10.203 1.00 31.51 H new ATOM 0 HD23 LEU A 26 3.831 -0.814 10.465 1.00 31.51 H new ATOM 420 N GLY A 27 7.522 -0.052 5.649 1.00 51.02 N ATOM 421 CA GLY A 27 8.919 0.385 5.425 1.00 23.12 C ATOM 422 C GLY A 27 9.920 -0.342 6.340 1.00 2.51 C ATOM 423 O GLY A 27 10.903 -0.929 5.868 1.00 63.24 O ATOM 0 H GLY A 27 7.215 -0.794 5.020 1.00 51.02 H new ATOM 0 HA2 GLY A 27 9.189 0.208 4.384 1.00 23.12 H new ATOM 0 HA3 GLY A 27 8.991 1.459 5.594 1.00 23.12 H new ATOM 427 N ASN A 28 9.647 -0.290 7.656 1.00 54.04 N ATOM 428 CA ASN A 28 10.424 -0.998 8.703 1.00 63.13 C ATOM 429 C ASN A 28 10.072 -2.511 8.764 1.00 42.15 C ATOM 430 O ASN A 28 9.431 -3.057 7.856 1.00 63.24 O ATOM 431 CB ASN A 28 10.150 -0.323 10.079 1.00 2.21 C ATOM 432 CG ASN A 28 10.627 1.124 10.130 1.00 14.33 C ATOM 433 OD1 ASN A 28 9.888 2.052 9.816 1.00 0.13 O ATOM 434 ND2 ASN A 28 11.875 1.329 10.505 1.00 73.53 N ATOM 0 H ASN A 28 8.870 0.252 8.033 1.00 54.04 H new ATOM 0 HA ASN A 28 11.483 -0.927 8.455 1.00 63.13 H new ATOM 0 HB2 ASN A 28 9.081 -0.356 10.289 1.00 2.21 H new ATOM 0 HB3 ASN A 28 10.647 -0.893 10.864 1.00 2.21 H new ATOM 0 HD21 ASN A 28 12.248 2.278 10.539 1.00 73.53 H new ATOM 0 HD22 ASN A 28 12.467 0.539 10.761 1.00 73.53 H new ATOM 441 N ASP A 29 10.499 -3.180 9.856 1.00 73.34 N ATOM 442 CA ASP A 29 10.212 -4.614 10.104 1.00 31.41 C ATOM 443 C ASP A 29 8.764 -4.881 10.626 1.00 13.25 C ATOM 444 O ASP A 29 8.545 -5.877 11.322 1.00 33.10 O ATOM 445 CB ASP A 29 11.280 -5.204 11.075 1.00 35.02 C ATOM 446 CG ASP A 29 11.388 -4.420 12.400 1.00 62.44 C ATOM 447 OD1 ASP A 29 10.622 -4.703 13.347 1.00 0.01 O ATOM 448 OD2 ASP A 29 12.228 -3.500 12.491 1.00 32.24 O ATOM 0 H ASP A 29 11.053 -2.743 10.593 1.00 73.34 H new ATOM 0 HA ASP A 29 10.271 -5.123 9.142 1.00 31.41 H new ATOM 0 HB2 ASP A 29 11.031 -6.243 11.293 1.00 35.02 H new ATOM 0 HB3 ASP A 29 12.251 -5.206 10.580 1.00 35.02 H new ATOM 453 N TYR A 30 7.776 -4.020 10.221 1.00 31.33 N ATOM 454 CA TYR A 30 6.288 -4.259 10.365 1.00 1.31 C ATOM 455 C TYR A 30 5.852 -4.816 11.756 1.00 1.41 C ATOM 456 O TYR A 30 6.523 -4.593 12.767 1.00 11.21 O ATOM 457 CB TYR A 30 5.748 -5.151 9.174 1.00 73.31 C ATOM 458 CG TYR A 30 6.541 -6.443 8.965 1.00 5.12 C ATOM 459 CD1 TYR A 30 6.363 -7.552 9.794 1.00 42.31 C ATOM 460 CD2 TYR A 30 7.556 -6.495 8.013 1.00 52.00 C ATOM 461 CE1 TYR A 30 7.192 -8.643 9.694 1.00 31.41 C ATOM 462 CE2 TYR A 30 8.360 -7.591 7.890 1.00 33.05 C ATOM 463 CZ TYR A 30 8.186 -8.658 8.737 1.00 33.10 C ATOM 464 OH TYR A 30 9.046 -9.723 8.668 1.00 44.44 O ATOM 0 H TYR A 30 7.988 -3.126 9.778 1.00 31.33 H new ATOM 0 HA TYR A 30 5.821 -3.276 10.308 1.00 1.31 H new ATOM 0 HB2 TYR A 30 4.705 -5.402 9.364 1.00 73.31 H new ATOM 0 HB3 TYR A 30 5.773 -4.567 8.254 1.00 73.31 H new ATOM 0 HD1 TYR A 30 5.565 -7.552 10.522 1.00 42.31 H new ATOM 0 HD2 TYR A 30 7.710 -5.650 7.358 1.00 52.00 H new ATOM 0 HE1 TYR A 30 7.066 -9.484 10.360 1.00 31.41 H new ATOM 0 HE2 TYR A 30 9.128 -7.619 7.131 1.00 33.05 H new ATOM 0 HH TYR A 30 8.588 -10.534 8.974 1.00 44.44 H new ATOM 474 N VAL A 31 4.678 -5.486 11.805 1.00 21.21 N ATOM 475 CA VAL A 31 4.206 -6.236 12.995 1.00 73.10 C ATOM 476 C VAL A 31 3.827 -7.685 12.577 1.00 70.25 C ATOM 477 O VAL A 31 2.946 -7.872 11.729 1.00 35.04 O ATOM 478 CB VAL A 31 2.943 -5.557 13.659 1.00 22.05 C ATOM 479 CG1 VAL A 31 2.573 -6.241 14.998 1.00 62.12 C ATOM 480 CG2 VAL A 31 3.130 -4.028 13.834 1.00 44.34 C ATOM 0 H VAL A 31 4.029 -5.523 11.019 1.00 21.21 H new ATOM 0 HA VAL A 31 5.017 -6.240 13.723 1.00 73.10 H new ATOM 0 HB VAL A 31 2.107 -5.698 12.974 1.00 22.05 H new ATOM 0 HG11 VAL A 31 1.700 -5.750 15.428 1.00 62.12 H new ATOM 0 HG12 VAL A 31 2.347 -7.292 14.819 1.00 62.12 H new ATOM 0 HG13 VAL A 31 3.411 -6.163 15.690 1.00 62.12 H new ATOM 0 HG21 VAL A 31 2.238 -3.603 14.294 1.00 44.34 H new ATOM 0 HG22 VAL A 31 3.993 -3.838 14.472 1.00 44.34 H new ATOM 0 HG23 VAL A 31 3.291 -3.567 12.859 1.00 44.34 H new ATOM 490 N MET A 32 4.492 -8.704 13.159 1.00 33.22 N ATOM 491 CA MET A 32 4.195 -10.143 12.899 1.00 5.35 C ATOM 492 C MET A 32 4.020 -10.904 14.241 1.00 5.44 C ATOM 493 O MET A 32 4.367 -10.375 15.299 1.00 22.53 O ATOM 494 CB MET A 32 5.306 -10.771 11.990 1.00 55.02 C ATOM 495 CG MET A 32 5.084 -12.243 11.575 1.00 61.20 C ATOM 496 SD MET A 32 6.097 -12.770 10.162 1.00 72.24 S ATOM 497 CE MET A 32 5.173 -12.124 8.760 1.00 3.31 C ATOM 0 H MET A 32 5.252 -8.561 13.824 1.00 33.22 H new ATOM 0 HA MET A 32 3.254 -10.230 12.356 1.00 5.35 H new ATOM 0 HB2 MET A 32 5.393 -10.168 11.086 1.00 55.02 H new ATOM 0 HB3 MET A 32 6.260 -10.701 12.513 1.00 55.02 H new ATOM 0 HG2 MET A 32 5.303 -12.887 12.427 1.00 61.20 H new ATOM 0 HG3 MET A 32 4.032 -12.386 11.329 1.00 61.20 H new ATOM 0 HE1 MET A 32 5.452 -12.669 7.858 1.00 3.31 H new ATOM 0 HE2 MET A 32 4.105 -12.245 8.941 1.00 3.31 H new ATOM 0 HE3 MET A 32 5.401 -11.066 8.630 1.00 3.31 H new ATOM 507 N SER A 33 3.392 -12.111 14.182 1.00 41.14 N ATOM 508 CA SER A 33 3.119 -13.011 15.353 1.00 21.54 C ATOM 509 C SER A 33 1.898 -12.565 16.203 1.00 22.20 C ATOM 510 O SER A 33 1.384 -13.350 17.009 1.00 1.24 O ATOM 511 CB SER A 33 4.372 -13.223 16.256 1.00 3.11 C ATOM 512 OG SER A 33 5.445 -13.824 15.534 1.00 32.41 O ATOM 0 H SER A 33 3.052 -12.499 13.302 1.00 41.14 H new ATOM 0 HA SER A 33 2.863 -13.973 14.908 1.00 21.54 H new ATOM 0 HB2 SER A 33 4.697 -12.264 16.659 1.00 3.11 H new ATOM 0 HB3 SER A 33 4.107 -13.853 17.105 1.00 3.11 H new ATOM 0 HG SER A 33 6.215 -13.941 16.129 1.00 32.41 H new ATOM 518 N THR A 34 1.434 -11.317 16.003 1.00 31.11 N ATOM 519 CA THR A 34 0.270 -10.740 16.727 1.00 55.15 C ATOM 520 C THR A 34 -1.065 -11.081 16.003 1.00 20.35 C ATOM 521 O THR A 34 -1.125 -12.036 15.218 1.00 41.31 O ATOM 522 CB THR A 34 0.427 -9.182 16.834 1.00 2.34 C ATOM 523 OG1 THR A 34 0.317 -8.583 15.526 1.00 63.43 O ATOM 524 CG2 THR A 34 1.779 -8.779 17.453 1.00 14.25 C ATOM 0 H THR A 34 1.853 -10.672 15.333 1.00 31.11 H new ATOM 0 HA THR A 34 0.242 -11.176 17.726 1.00 55.15 H new ATOM 0 HB THR A 34 -0.370 -8.823 17.485 1.00 2.34 H new ATOM 0 HG1 THR A 34 0.254 -7.609 15.616 1.00 63.43 H new ATOM 0 HG21 THR A 34 1.845 -7.692 17.508 1.00 14.25 H new ATOM 0 HG22 THR A 34 1.859 -9.198 18.456 1.00 14.25 H new ATOM 0 HG23 THR A 34 2.591 -9.161 16.834 1.00 14.25 H new ATOM 532 N GLU A 35 -2.138 -10.309 16.293 1.00 12.25 N ATOM 533 CA GLU A 35 -3.428 -10.397 15.562 1.00 12.23 C ATOM 534 C GLU A 35 -3.211 -10.168 14.050 1.00 14.14 C ATOM 535 O GLU A 35 -3.704 -10.935 13.217 1.00 51.10 O ATOM 536 CB GLU A 35 -4.445 -9.339 16.088 1.00 64.21 C ATOM 537 CG GLU A 35 -4.916 -9.510 17.553 1.00 61.42 C ATOM 538 CD GLU A 35 -3.816 -9.315 18.618 1.00 75.22 C ATOM 539 OE1 GLU A 35 -3.146 -8.263 18.598 1.00 72.41 O ATOM 540 OE2 GLU A 35 -3.629 -10.197 19.480 1.00 61.40 O ATOM 0 H GLU A 35 -2.137 -9.610 17.036 1.00 12.25 H new ATOM 0 HA GLU A 35 -3.830 -11.396 15.730 1.00 12.23 H new ATOM 0 HB2 GLU A 35 -3.995 -8.352 15.986 1.00 64.21 H new ATOM 0 HB3 GLU A 35 -5.323 -9.357 15.442 1.00 64.21 H new ATOM 0 HG2 GLU A 35 -5.718 -8.798 17.746 1.00 61.42 H new ATOM 0 HG3 GLU A 35 -5.340 -10.507 17.669 1.00 61.42 H new ATOM 547 N ARG A 36 -2.431 -9.105 13.736 1.00 43.32 N ATOM 548 CA ARG A 36 -2.152 -8.659 12.353 1.00 45.54 C ATOM 549 C ARG A 36 -3.474 -8.376 11.569 1.00 51.10 C ATOM 550 O ARG A 36 -4.500 -8.016 12.167 1.00 63.11 O ATOM 551 CB ARG A 36 -1.266 -9.721 11.644 1.00 4.10 C ATOM 552 CG ARG A 36 0.142 -9.912 12.244 1.00 44.43 C ATOM 553 CD ARG A 36 0.865 -11.133 11.638 1.00 31.43 C ATOM 554 NE ARG A 36 0.892 -11.126 10.157 1.00 21.20 N ATOM 555 CZ ARG A 36 1.832 -10.607 9.393 1.00 41.23 C ATOM 556 NH1 ARG A 36 2.770 -9.861 9.875 1.00 44.15 N ATOM 557 NH2 ARG A 36 1.788 -10.782 8.121 1.00 74.34 N ATOM 0 H ARG A 36 -1.975 -8.529 14.444 1.00 43.32 H new ATOM 0 HA ARG A 36 -1.607 -7.716 12.380 1.00 45.54 H new ATOM 0 HB2 ARG A 36 -1.786 -10.679 11.668 1.00 4.10 H new ATOM 0 HB3 ARG A 36 -1.161 -9.441 10.596 1.00 4.10 H new ATOM 0 HG2 ARG A 36 0.736 -9.015 12.069 1.00 44.43 H new ATOM 0 HG3 ARG A 36 0.063 -10.036 13.324 1.00 44.43 H new ATOM 0 HD2 ARG A 36 1.888 -11.163 12.012 1.00 31.43 H new ATOM 0 HD3 ARG A 36 0.374 -12.044 11.981 1.00 31.43 H new ATOM 0 HE ARG A 36 0.105 -11.567 9.681 1.00 21.20 H new ATOM 0 HH11 ARG A 36 2.798 -9.658 10.874 1.00 44.15 H new ATOM 0 HH12 ARG A 36 3.483 -9.475 9.256 1.00 44.15 H new ATOM 0 HH21 ARG A 36 1.028 -11.321 7.706 1.00 74.34 H new ATOM 0 HH22 ARG A 36 2.513 -10.382 7.526 1.00 74.34 H new ATOM 571 N LEU A 37 -3.429 -8.494 10.230 1.00 73.45 N ATOM 572 CA LEU A 37 -4.635 -8.451 9.382 1.00 43.31 C ATOM 573 C LEU A 37 -5.197 -9.873 9.191 1.00 23.13 C ATOM 574 O LEU A 37 -5.011 -10.479 8.140 1.00 55.04 O ATOM 575 CB LEU A 37 -4.304 -7.797 8.013 1.00 33.43 C ATOM 576 CG LEU A 37 -3.889 -6.300 8.053 1.00 0.55 C ATOM 577 CD1 LEU A 37 -3.488 -5.811 6.654 1.00 23.25 C ATOM 578 CD2 LEU A 37 -5.008 -5.422 8.655 1.00 63.33 C ATOM 0 H LEU A 37 -2.562 -8.621 9.708 1.00 73.45 H new ATOM 0 HA LEU A 37 -5.396 -7.845 9.874 1.00 43.31 H new ATOM 0 HB2 LEU A 37 -3.498 -8.364 7.548 1.00 33.43 H new ATOM 0 HB3 LEU A 37 -5.176 -7.894 7.367 1.00 33.43 H new ATOM 0 HG LEU A 37 -3.020 -6.209 8.704 1.00 0.55 H new ATOM 0 HD11 LEU A 37 -3.201 -4.761 6.704 1.00 23.25 H new ATOM 0 HD12 LEU A 37 -2.646 -6.400 6.290 1.00 23.25 H new ATOM 0 HD13 LEU A 37 -4.332 -5.924 5.973 1.00 23.25 H new ATOM 0 HD21 LEU A 37 -4.686 -4.381 8.669 1.00 63.33 H new ATOM 0 HD22 LEU A 37 -5.909 -5.515 8.049 1.00 63.33 H new ATOM 0 HD23 LEU A 37 -5.220 -5.750 9.673 1.00 63.33 H new ATOM 590 N THR A 38 -5.875 -10.403 10.227 1.00 12.13 N ATOM 591 CA THR A 38 -6.442 -11.778 10.200 1.00 12.32 C ATOM 592 C THR A 38 -7.412 -11.970 9.006 1.00 0.32 C ATOM 593 O THR A 38 -7.363 -12.987 8.314 1.00 11.32 O ATOM 594 CB THR A 38 -7.180 -12.118 11.543 1.00 62.22 C ATOM 595 OG1 THR A 38 -6.293 -11.906 12.653 1.00 41.12 O ATOM 596 CG2 THR A 38 -7.695 -13.575 11.592 1.00 62.23 C ATOM 0 H THR A 38 -6.047 -9.903 11.099 1.00 12.13 H new ATOM 0 HA THR A 38 -5.603 -12.463 10.078 1.00 12.32 H new ATOM 0 HB THR A 38 -8.044 -11.456 11.602 1.00 62.22 H new ATOM 0 HG1 THR A 38 -5.409 -11.647 12.320 1.00 41.12 H new ATOM 0 HG21 THR A 38 -8.196 -13.752 12.544 1.00 62.23 H new ATOM 0 HG22 THR A 38 -8.398 -13.740 10.775 1.00 62.23 H new ATOM 0 HG23 THR A 38 -6.854 -14.262 11.492 1.00 62.23 H new ATOM 604 N SER A 39 -8.249 -10.950 8.748 1.00 62.43 N ATOM 605 CA SER A 39 -9.227 -10.973 7.632 1.00 22.34 C ATOM 606 C SER A 39 -8.536 -10.820 6.258 1.00 42.25 C ATOM 607 O SER A 39 -8.712 -11.666 5.379 1.00 30.44 O ATOM 608 CB SER A 39 -10.274 -9.851 7.826 1.00 41.11 C ATOM 609 OG SER A 39 -11.252 -9.848 6.796 1.00 72.50 O ATOM 0 H SER A 39 -8.272 -10.091 9.298 1.00 62.43 H new ATOM 0 HA SER A 39 -9.723 -11.944 7.645 1.00 22.34 H new ATOM 0 HB2 SER A 39 -10.765 -9.977 8.791 1.00 41.11 H new ATOM 0 HB3 SER A 39 -9.769 -8.885 7.849 1.00 41.11 H new ATOM 0 HG SER A 39 -11.895 -9.126 6.957 1.00 72.50 H new ATOM 615 N ALA A 40 -7.702 -9.768 6.110 1.00 54.03 N ATOM 616 CA ALA A 40 -7.079 -9.395 4.808 1.00 61.34 C ATOM 617 C ALA A 40 -6.075 -10.454 4.299 1.00 25.51 C ATOM 618 O ALA A 40 -6.030 -10.756 3.099 1.00 44.14 O ATOM 619 CB ALA A 40 -6.398 -8.027 4.911 1.00 41.15 C ATOM 0 H ALA A 40 -7.439 -9.153 6.880 1.00 54.03 H new ATOM 0 HA ALA A 40 -7.887 -9.345 4.078 1.00 61.34 H new ATOM 0 HB1 ALA A 40 -5.949 -7.771 3.951 1.00 41.15 H new ATOM 0 HB2 ALA A 40 -7.137 -7.272 5.179 1.00 41.15 H new ATOM 0 HB3 ALA A 40 -5.623 -8.063 5.676 1.00 41.15 H new ATOM 625 N GLU A 41 -5.253 -10.989 5.217 1.00 22.24 N ATOM 626 CA GLU A 41 -4.334 -12.106 4.921 1.00 55.25 C ATOM 627 C GLU A 41 -5.101 -13.389 4.532 1.00 61.32 C ATOM 628 O GLU A 41 -4.666 -14.107 3.645 1.00 3.20 O ATOM 629 CB GLU A 41 -3.398 -12.366 6.124 1.00 71.41 C ATOM 630 CG GLU A 41 -2.424 -11.200 6.400 1.00 64.20 C ATOM 631 CD GLU A 41 -1.573 -11.389 7.660 1.00 41.03 C ATOM 632 OE1 GLU A 41 -0.670 -12.249 7.657 1.00 22.33 O ATOM 633 OE2 GLU A 41 -1.794 -10.676 8.652 1.00 42.51 O ATOM 0 H GLU A 41 -5.205 -10.663 6.182 1.00 22.24 H new ATOM 0 HA GLU A 41 -3.727 -11.820 4.062 1.00 55.25 H new ATOM 0 HB2 GLU A 41 -4.002 -12.545 7.014 1.00 71.41 H new ATOM 0 HB3 GLU A 41 -2.824 -13.274 5.940 1.00 71.41 H new ATOM 0 HG2 GLU A 41 -1.763 -11.080 5.541 1.00 64.20 H new ATOM 0 HG3 GLU A 41 -2.995 -10.276 6.494 1.00 64.20 H new ATOM 640 N SER A 42 -6.251 -13.651 5.189 1.00 62.24 N ATOM 641 CA SER A 42 -7.139 -14.795 4.825 1.00 70.44 C ATOM 642 C SER A 42 -7.785 -14.593 3.433 1.00 51.01 C ATOM 643 O SER A 42 -8.075 -15.569 2.733 1.00 71.45 O ATOM 644 CB SER A 42 -8.243 -15.017 5.887 1.00 42.32 C ATOM 645 OG SER A 42 -7.697 -15.433 7.129 1.00 42.34 O ATOM 0 H SER A 42 -6.592 -13.093 5.972 1.00 62.24 H new ATOM 0 HA SER A 42 -6.507 -15.683 4.789 1.00 70.44 H new ATOM 0 HB2 SER A 42 -8.805 -14.094 6.027 1.00 42.32 H new ATOM 0 HB3 SER A 42 -8.947 -15.768 5.529 1.00 42.32 H new ATOM 0 HG SER A 42 -7.574 -14.653 7.710 1.00 42.34 H new ATOM 651 N LEU A 43 -8.010 -13.325 3.044 1.00 11.33 N ATOM 652 CA LEU A 43 -8.521 -12.977 1.702 1.00 25.12 C ATOM 653 C LEU A 43 -7.462 -13.278 0.599 1.00 73.04 C ATOM 654 O LEU A 43 -7.801 -13.819 -0.451 1.00 74.43 O ATOM 655 CB LEU A 43 -8.946 -11.482 1.641 1.00 14.11 C ATOM 656 CG LEU A 43 -10.086 -11.015 2.608 1.00 13.24 C ATOM 657 CD1 LEU A 43 -10.336 -9.491 2.491 1.00 1.42 C ATOM 658 CD2 LEU A 43 -11.386 -11.822 2.392 1.00 21.42 C ATOM 0 H LEU A 43 -7.845 -12.517 3.644 1.00 11.33 H new ATOM 0 HA LEU A 43 -9.397 -13.597 1.514 1.00 25.12 H new ATOM 0 HB2 LEU A 43 -8.064 -10.873 1.841 1.00 14.11 H new ATOM 0 HB3 LEU A 43 -9.260 -11.263 0.620 1.00 14.11 H new ATOM 0 HG LEU A 43 -9.750 -11.215 3.626 1.00 13.24 H new ATOM 0 HD11 LEU A 43 -11.133 -9.199 3.175 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -9.424 -8.952 2.746 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -10.628 -9.248 1.469 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -12.153 -11.468 3.081 1.00 21.42 H new ATOM 0 HD22 LEU A 43 -11.731 -11.689 1.367 1.00 21.42 H new ATOM 0 HD23 LEU A 43 -11.193 -12.879 2.575 1.00 21.42 H new ATOM 670 N LEU A 44 -6.183 -12.921 0.845 1.00 51.13 N ATOM 671 CA LEU A 44 -5.076 -13.205 -0.111 1.00 65.34 C ATOM 672 C LEU A 44 -4.770 -14.731 -0.176 1.00 51.33 C ATOM 673 O LEU A 44 -4.616 -15.301 -1.255 1.00 51.04 O ATOM 674 CB LEU A 44 -3.789 -12.412 0.267 1.00 33.24 C ATOM 675 CG LEU A 44 -2.603 -12.506 -0.761 1.00 63.34 C ATOM 676 CD1 LEU A 44 -2.977 -11.877 -2.124 1.00 11.40 C ATOM 677 CD2 LEU A 44 -1.300 -11.894 -0.186 1.00 12.43 C ATOM 0 H LEU A 44 -5.886 -12.437 1.692 1.00 51.13 H new ATOM 0 HA LEU A 44 -5.403 -12.877 -1.098 1.00 65.34 H new ATOM 0 HB2 LEU A 44 -4.055 -11.362 0.392 1.00 33.24 H new ATOM 0 HB3 LEU A 44 -3.436 -12.769 1.235 1.00 33.24 H new ATOM 0 HG LEU A 44 -2.412 -13.564 -0.938 1.00 63.34 H new ATOM 0 HD11 LEU A 44 -2.132 -11.961 -2.808 1.00 11.40 H new ATOM 0 HD12 LEU A 44 -3.836 -12.401 -2.543 1.00 11.40 H new ATOM 0 HD13 LEU A 44 -3.226 -10.825 -1.983 1.00 11.40 H new ATOM 0 HD21 LEU A 44 -0.502 -11.977 -0.924 1.00 12.43 H new ATOM 0 HD22 LEU A 44 -1.466 -10.843 0.053 1.00 12.43 H new ATOM 0 HD23 LEU A 44 -1.014 -12.431 0.719 1.00 12.43 H new ATOM 689 N ARG A 45 -4.712 -15.371 1.006 1.00 74.54 N ATOM 690 CA ARG A 45 -4.491 -16.838 1.150 1.00 43.13 C ATOM 691 C ARG A 45 -5.695 -17.672 0.621 1.00 32.52 C ATOM 692 O ARG A 45 -5.533 -18.841 0.259 1.00 34.11 O ATOM 693 CB ARG A 45 -4.209 -17.181 2.646 1.00 73.33 C ATOM 694 CG ARG A 45 -2.850 -16.657 3.187 1.00 11.25 C ATOM 695 CD ARG A 45 -2.742 -16.709 4.726 1.00 43.52 C ATOM 696 NE ARG A 45 -2.982 -18.055 5.268 1.00 52.12 N ATOM 697 CZ ARG A 45 -2.894 -18.399 6.535 1.00 42.11 C ATOM 698 NH1 ARG A 45 -2.536 -17.550 7.444 1.00 53.41 N ATOM 699 NH2 ARG A 45 -3.176 -19.608 6.878 1.00 32.42 N ATOM 0 H ARG A 45 -4.817 -14.890 1.899 1.00 74.54 H new ATOM 0 HA ARG A 45 -3.627 -17.105 0.541 1.00 43.13 H new ATOM 0 HB2 ARG A 45 -5.012 -16.768 3.257 1.00 73.33 H new ATOM 0 HB3 ARG A 45 -4.240 -18.264 2.769 1.00 73.33 H new ATOM 0 HG2 ARG A 45 -2.043 -17.247 2.753 1.00 11.25 H new ATOM 0 HG3 ARG A 45 -2.707 -15.629 2.855 1.00 11.25 H new ATOM 0 HD2 ARG A 45 -1.750 -16.372 5.028 1.00 43.52 H new ATOM 0 HD3 ARG A 45 -3.461 -16.014 5.160 1.00 43.52 H new ATOM 0 HE ARG A 45 -3.239 -18.785 4.604 1.00 52.12 H new ATOM 0 HH11 ARG A 45 -2.314 -16.589 7.185 1.00 53.41 H new ATOM 0 HH12 ARG A 45 -2.476 -17.842 8.419 1.00 53.41 H new ATOM 0 HH21 ARG A 45 -3.463 -20.285 6.171 1.00 32.42 H new ATOM 0 HH22 ARG A 45 -3.112 -19.889 7.857 1.00 32.42 H new ATOM 713 N GLY A 46 -6.897 -17.062 0.601 1.00 34.54 N ATOM 714 CA GLY A 46 -8.119 -17.725 0.101 1.00 73.45 C ATOM 715 C GLY A 46 -8.470 -17.397 -1.357 1.00 61.31 C ATOM 716 O GLY A 46 -9.408 -17.980 -1.906 1.00 52.30 O ATOM 0 H GLY A 46 -7.048 -16.107 0.927 1.00 34.54 H new ATOM 0 HA2 GLY A 46 -7.998 -18.804 0.198 1.00 73.45 H new ATOM 0 HA3 GLY A 46 -8.958 -17.440 0.736 1.00 73.45 H new ATOM 720 N GLY A 47 -7.722 -16.461 -1.978 1.00 74.30 N ATOM 721 CA GLY A 47 -7.979 -16.035 -3.371 1.00 32.34 C ATOM 722 C GLY A 47 -9.196 -15.111 -3.536 1.00 43.02 C ATOM 723 O GLY A 47 -9.745 -14.995 -4.632 1.00 35.31 O ATOM 0 H GLY A 47 -6.935 -15.985 -1.537 1.00 74.30 H new ATOM 0 HA2 GLY A 47 -7.095 -15.523 -3.751 1.00 32.34 H new ATOM 0 HA3 GLY A 47 -8.124 -16.921 -3.989 1.00 32.34 H new ATOM 727 N GLU A 48 -9.622 -14.478 -2.434 1.00 11.33 N ATOM 728 CA GLU A 48 -10.738 -13.505 -2.422 1.00 42.15 C ATOM 729 C GLU A 48 -10.304 -12.112 -2.952 1.00 21.44 C ATOM 730 O GLU A 48 -11.103 -11.392 -3.561 1.00 65.03 O ATOM 731 CB GLU A 48 -11.282 -13.370 -0.975 1.00 20.21 C ATOM 732 CG GLU A 48 -11.732 -14.695 -0.315 1.00 62.43 C ATOM 733 CD GLU A 48 -13.035 -15.266 -0.906 1.00 20.53 C ATOM 734 OE1 GLU A 48 -12.983 -15.939 -1.955 1.00 3.45 O ATOM 735 OE2 GLU A 48 -14.118 -15.030 -0.331 1.00 13.32 O ATOM 0 H GLU A 48 -9.203 -14.624 -1.516 1.00 11.33 H new ATOM 0 HA GLU A 48 -11.517 -13.878 -3.087 1.00 42.15 H new ATOM 0 HB2 GLU A 48 -10.509 -12.917 -0.354 1.00 20.21 H new ATOM 0 HB3 GLU A 48 -12.127 -12.682 -0.984 1.00 20.21 H new ATOM 0 HG2 GLU A 48 -10.938 -15.434 -0.425 1.00 62.43 H new ATOM 0 HG3 GLU A 48 -11.869 -14.531 0.754 1.00 62.43 H new ATOM 742 N ILE A 49 -9.031 -11.727 -2.707 1.00 4.44 N ATOM 743 CA ILE A 49 -8.462 -10.448 -3.205 1.00 71.23 C ATOM 744 C ILE A 49 -7.157 -10.684 -4.001 1.00 71.34 C ATOM 745 O ILE A 49 -6.512 -11.734 -3.880 1.00 22.42 O ATOM 746 CB ILE A 49 -8.180 -9.406 -2.048 1.00 73.11 C ATOM 747 CG1 ILE A 49 -7.055 -9.909 -1.076 1.00 53.32 C ATOM 748 CG2 ILE A 49 -9.480 -9.048 -1.282 1.00 64.21 C ATOM 749 CD1 ILE A 49 -6.696 -8.941 0.044 1.00 74.10 C ATOM 0 H ILE A 49 -8.373 -12.286 -2.164 1.00 4.44 H new ATOM 0 HA ILE A 49 -9.223 -10.026 -3.862 1.00 71.23 H new ATOM 0 HB ILE A 49 -7.814 -8.492 -2.515 1.00 73.11 H new ATOM 0 HG12 ILE A 49 -7.373 -10.853 -0.633 1.00 53.32 H new ATOM 0 HG13 ILE A 49 -6.158 -10.117 -1.659 1.00 53.32 H new ATOM 0 HG21 ILE A 49 -9.252 -8.330 -0.494 1.00 64.21 H new ATOM 0 HG22 ILE A 49 -10.201 -8.611 -1.973 1.00 64.21 H new ATOM 0 HG23 ILE A 49 -9.902 -9.950 -0.840 1.00 64.21 H new ATOM 0 HD11 ILE A 49 -5.911 -9.375 0.663 1.00 74.10 H new ATOM 0 HD12 ILE A 49 -6.343 -8.003 -0.385 1.00 74.10 H new ATOM 0 HD13 ILE A 49 -7.577 -8.751 0.657 1.00 74.10 H new ATOM 761 N SER A 50 -6.798 -9.689 -4.829 1.00 2.21 N ATOM 762 CA SER A 50 -5.502 -9.637 -5.538 1.00 2.14 C ATOM 763 C SER A 50 -4.434 -8.940 -4.665 1.00 4.42 C ATOM 764 O SER A 50 -4.750 -8.381 -3.601 1.00 21.33 O ATOM 765 CB SER A 50 -5.660 -8.899 -6.894 1.00 34.23 C ATOM 766 OG SER A 50 -6.660 -9.504 -7.700 1.00 41.30 O ATOM 0 H SER A 50 -7.401 -8.891 -5.029 1.00 2.21 H new ATOM 0 HA SER A 50 -5.173 -10.658 -5.733 1.00 2.14 H new ATOM 0 HB2 SER A 50 -5.918 -7.855 -6.714 1.00 34.23 H new ATOM 0 HB3 SER A 50 -4.709 -8.905 -7.426 1.00 34.23 H new ATOM 0 HG SER A 50 -6.737 -9.016 -8.546 1.00 41.30 H new ATOM 772 N VAL A 51 -3.166 -8.975 -5.122 1.00 64.44 N ATOM 773 CA VAL A 51 -2.033 -8.362 -4.388 1.00 74.21 C ATOM 774 C VAL A 51 -2.218 -6.838 -4.189 1.00 32.50 C ATOM 775 O VAL A 51 -1.932 -6.341 -3.110 1.00 3.14 O ATOM 776 CB VAL A 51 -0.658 -8.661 -5.088 1.00 44.13 C ATOM 777 CG1 VAL A 51 0.532 -7.939 -4.390 1.00 12.42 C ATOM 778 CG2 VAL A 51 -0.405 -10.188 -5.154 1.00 12.40 C ATOM 0 H VAL A 51 -2.897 -9.422 -5.998 1.00 64.44 H new ATOM 0 HA VAL A 51 -2.022 -8.825 -3.401 1.00 74.21 H new ATOM 0 HB VAL A 51 -0.721 -8.266 -6.102 1.00 44.13 H new ATOM 0 HG11 VAL A 51 1.459 -8.178 -4.911 1.00 12.42 H new ATOM 0 HG12 VAL A 51 0.369 -6.862 -4.415 1.00 12.42 H new ATOM 0 HG13 VAL A 51 0.602 -8.271 -3.354 1.00 12.42 H new ATOM 0 HG21 VAL A 51 0.551 -10.378 -5.642 1.00 12.40 H new ATOM 0 HG22 VAL A 51 -0.385 -10.597 -4.144 1.00 12.40 H new ATOM 0 HG23 VAL A 51 -1.203 -10.665 -5.723 1.00 12.40 H new ATOM 788 N ARG A 52 -2.719 -6.112 -5.223 1.00 4.24 N ATOM 789 CA ARG A 52 -3.025 -4.649 -5.100 1.00 32.02 C ATOM 790 C ARG A 52 -3.965 -4.344 -3.903 1.00 32.31 C ATOM 791 O ARG A 52 -3.742 -3.392 -3.150 1.00 32.43 O ATOM 792 CB ARG A 52 -3.686 -4.079 -6.382 1.00 13.33 C ATOM 793 CG ARG A 52 -2.818 -4.105 -7.650 1.00 33.44 C ATOM 794 CD ARG A 52 -3.396 -3.212 -8.771 1.00 33.52 C ATOM 795 NE ARG A 52 -4.803 -3.548 -9.063 1.00 30.42 N ATOM 796 CZ ARG A 52 -5.744 -2.701 -9.446 1.00 63.53 C ATOM 797 NH1 ARG A 52 -5.493 -1.446 -9.648 1.00 14.01 N ATOM 798 NH2 ARG A 52 -6.946 -3.125 -9.612 1.00 41.41 N ATOM 0 H ARG A 52 -2.920 -6.504 -6.143 1.00 4.24 H new ATOM 0 HA ARG A 52 -2.060 -4.169 -4.940 1.00 32.02 H new ATOM 0 HB2 ARG A 52 -4.599 -4.641 -6.578 1.00 13.33 H new ATOM 0 HB3 ARG A 52 -3.982 -3.048 -6.188 1.00 13.33 H new ATOM 0 HG2 ARG A 52 -1.810 -3.771 -7.405 1.00 33.44 H new ATOM 0 HG3 ARG A 52 -2.735 -5.130 -8.011 1.00 33.44 H new ATOM 0 HD2 ARG A 52 -3.325 -2.165 -8.476 1.00 33.52 H new ATOM 0 HD3 ARG A 52 -2.798 -3.329 -9.675 1.00 33.52 H new ATOM 0 HE ARG A 52 -5.076 -4.525 -8.960 1.00 30.42 H new ATOM 0 HH11 ARG A 52 -4.548 -1.087 -9.512 1.00 14.01 H new ATOM 0 HH12 ARG A 52 -6.240 -0.818 -9.943 1.00 14.01 H new ATOM 0 HH21 ARG A 52 -7.167 -4.107 -9.449 1.00 41.41 H new ATOM 0 HH22 ARG A 52 -7.678 -2.479 -9.907 1.00 41.41 H new ATOM 812 N ASP A 53 -5.007 -5.176 -3.755 1.00 15.32 N ATOM 813 CA ASP A 53 -6.029 -5.027 -2.696 1.00 21.23 C ATOM 814 C ASP A 53 -5.446 -5.327 -1.305 1.00 14.34 C ATOM 815 O ASP A 53 -5.897 -4.767 -0.302 1.00 23.14 O ATOM 816 CB ASP A 53 -7.217 -5.966 -2.977 1.00 14.22 C ATOM 817 CG ASP A 53 -7.758 -5.808 -4.398 1.00 21.13 C ATOM 818 OD1 ASP A 53 -8.311 -4.739 -4.714 1.00 21.13 O ATOM 819 OD2 ASP A 53 -7.586 -6.731 -5.214 1.00 73.03 O ATOM 0 H ASP A 53 -5.169 -5.976 -4.367 1.00 15.32 H new ATOM 0 HA ASP A 53 -6.370 -3.992 -2.703 1.00 21.23 H new ATOM 0 HB2 ASP A 53 -6.905 -6.999 -2.822 1.00 14.22 H new ATOM 0 HB3 ASP A 53 -8.015 -5.763 -2.262 1.00 14.22 H new ATOM 824 N PHE A 54 -4.451 -6.228 -1.264 1.00 2.31 N ATOM 825 CA PHE A 54 -3.736 -6.567 -0.024 1.00 3.45 C ATOM 826 C PHE A 54 -2.759 -5.431 0.391 1.00 12.43 C ATOM 827 O PHE A 54 -2.727 -5.042 1.556 1.00 63.42 O ATOM 828 CB PHE A 54 -2.992 -7.918 -0.167 1.00 33.11 C ATOM 829 CG PHE A 54 -2.388 -8.387 1.149 1.00 43.35 C ATOM 830 CD1 PHE A 54 -3.215 -8.751 2.212 1.00 60.53 C ATOM 831 CD2 PHE A 54 -1.011 -8.430 1.345 1.00 45.53 C ATOM 832 CE1 PHE A 54 -2.683 -9.139 3.419 1.00 44.44 C ATOM 833 CE2 PHE A 54 -0.483 -8.825 2.554 1.00 71.24 C ATOM 834 CZ PHE A 54 -1.319 -9.177 3.589 1.00 11.44 C ATOM 0 H PHE A 54 -4.122 -6.738 -2.083 1.00 2.31 H new ATOM 0 HA PHE A 54 -4.475 -6.673 0.770 1.00 3.45 H new ATOM 0 HB2 PHE A 54 -3.685 -8.674 -0.536 1.00 33.11 H new ATOM 0 HB3 PHE A 54 -2.202 -7.818 -0.912 1.00 33.11 H new ATOM 0 HD1 PHE A 54 -4.287 -8.728 2.085 1.00 60.53 H new ATOM 0 HD2 PHE A 54 -0.348 -8.150 0.539 1.00 45.53 H new ATOM 0 HE1 PHE A 54 -3.337 -9.414 4.234 1.00 44.44 H new ATOM 0 HE2 PHE A 54 0.588 -8.859 2.690 1.00 71.24 H new ATOM 0 HZ PHE A 54 -0.903 -9.484 4.537 1.00 11.44 H new ATOM 844 N VAL A 55 -1.985 -4.903 -0.582 1.00 71.43 N ATOM 845 CA VAL A 55 -1.088 -3.723 -0.389 1.00 14.31 C ATOM 846 C VAL A 55 -1.898 -2.504 0.125 1.00 33.45 C ATOM 847 O VAL A 55 -1.450 -1.746 0.995 1.00 23.25 O ATOM 848 CB VAL A 55 -0.336 -3.369 -1.740 1.00 71.13 C ATOM 849 CG1 VAL A 55 0.534 -2.097 -1.605 1.00 74.54 C ATOM 850 CG2 VAL A 55 0.525 -4.565 -2.224 1.00 11.05 C ATOM 0 H VAL A 55 -1.959 -5.278 -1.530 1.00 71.43 H new ATOM 0 HA VAL A 55 -0.339 -3.977 0.361 1.00 14.31 H new ATOM 0 HB VAL A 55 -1.103 -3.164 -2.487 1.00 71.13 H new ATOM 0 HG11 VAL A 55 1.030 -1.893 -2.554 1.00 74.54 H new ATOM 0 HG12 VAL A 55 -0.098 -1.251 -1.337 1.00 74.54 H new ATOM 0 HG13 VAL A 55 1.284 -2.250 -0.829 1.00 74.54 H new ATOM 0 HG21 VAL A 55 1.031 -4.297 -3.152 1.00 11.05 H new ATOM 0 HG22 VAL A 55 1.267 -4.810 -1.464 1.00 11.05 H new ATOM 0 HG23 VAL A 55 -0.117 -5.429 -2.397 1.00 11.05 H new ATOM 860 N ARG A 56 -3.122 -2.380 -0.413 1.00 64.21 N ATOM 861 CA ARG A 56 -4.126 -1.389 0.014 1.00 61.35 C ATOM 862 C ARG A 56 -4.602 -1.647 1.458 1.00 41.32 C ATOM 863 O ARG A 56 -4.623 -0.731 2.271 1.00 22.13 O ATOM 864 CB ARG A 56 -5.310 -1.416 -0.989 1.00 43.11 C ATOM 865 CG ARG A 56 -6.489 -0.478 -0.665 1.00 24.15 C ATOM 866 CD ARG A 56 -7.537 -0.437 -1.797 1.00 52.40 C ATOM 867 NE ARG A 56 -8.001 -1.782 -2.204 1.00 1.43 N ATOM 868 CZ ARG A 56 -9.128 -2.357 -1.822 1.00 31.02 C ATOM 869 NH1 ARG A 56 -9.894 -1.812 -0.927 1.00 25.04 N ATOM 870 NH2 ARG A 56 -9.471 -3.497 -2.318 1.00 2.04 N ATOM 0 H ARG A 56 -3.449 -2.977 -1.172 1.00 64.21 H new ATOM 0 HA ARG A 56 -3.674 -0.397 0.014 1.00 61.35 H new ATOM 0 HB2 ARG A 56 -4.929 -1.161 -1.978 1.00 43.11 H new ATOM 0 HB3 ARG A 56 -5.688 -2.437 -1.047 1.00 43.11 H new ATOM 0 HG2 ARG A 56 -6.968 -0.806 0.258 1.00 24.15 H new ATOM 0 HG3 ARG A 56 -6.111 0.529 -0.487 1.00 24.15 H new ATOM 0 HD2 ARG A 56 -8.393 0.153 -1.471 1.00 52.40 H new ATOM 0 HD3 ARG A 56 -7.110 0.071 -2.662 1.00 52.40 H new ATOM 0 HE ARG A 56 -7.399 -2.311 -2.834 1.00 1.43 H new ATOM 0 HH11 ARG A 56 -9.630 -0.922 -0.504 1.00 25.04 H new ATOM 0 HH12 ARG A 56 -10.760 -2.273 -0.647 1.00 25.04 H new ATOM 0 HH21 ARG A 56 -8.872 -3.955 -3.005 1.00 2.04 H new ATOM 0 HH22 ARG A 56 -10.341 -3.941 -2.023 1.00 2.04 H new ATOM 884 N ALA A 57 -4.943 -2.911 1.768 1.00 72.32 N ATOM 885 CA ALA A 57 -5.433 -3.318 3.111 1.00 53.13 C ATOM 886 C ALA A 57 -4.391 -3.049 4.232 1.00 33.01 C ATOM 887 O ALA A 57 -4.753 -2.647 5.345 1.00 64.24 O ATOM 888 CB ALA A 57 -5.828 -4.802 3.089 1.00 62.41 C ATOM 0 H ALA A 57 -4.889 -3.682 1.102 1.00 72.32 H new ATOM 0 HA ALA A 57 -6.306 -2.708 3.342 1.00 53.13 H new ATOM 0 HB1 ALA A 57 -6.187 -5.098 4.075 1.00 62.41 H new ATOM 0 HB2 ALA A 57 -6.618 -4.957 2.354 1.00 62.41 H new ATOM 0 HB3 ALA A 57 -4.960 -5.406 2.823 1.00 62.41 H new ATOM 894 N VAL A 58 -3.099 -3.266 3.917 1.00 4.31 N ATOM 895 CA VAL A 58 -1.980 -3.007 4.859 1.00 5.43 C ATOM 896 C VAL A 58 -1.700 -1.485 4.982 1.00 41.22 C ATOM 897 O VAL A 58 -1.322 -0.994 6.048 1.00 71.10 O ATOM 898 CB VAL A 58 -0.671 -3.790 4.433 1.00 60.12 C ATOM 899 CG1 VAL A 58 0.457 -3.640 5.482 1.00 72.34 C ATOM 900 CG2 VAL A 58 -0.970 -5.288 4.183 1.00 4.24 C ATOM 0 H VAL A 58 -2.798 -3.623 3.010 1.00 4.31 H new ATOM 0 HA VAL A 58 -2.282 -3.378 5.839 1.00 5.43 H new ATOM 0 HB VAL A 58 -0.326 -3.343 3.501 1.00 60.12 H new ATOM 0 HG11 VAL A 58 1.337 -4.192 5.152 1.00 72.34 H new ATOM 0 HG12 VAL A 58 0.711 -2.586 5.595 1.00 72.34 H new ATOM 0 HG13 VAL A 58 0.119 -4.036 6.439 1.00 72.34 H new ATOM 0 HG21 VAL A 58 -0.052 -5.799 3.892 1.00 4.24 H new ATOM 0 HG22 VAL A 58 -1.362 -5.738 5.095 1.00 4.24 H new ATOM 0 HG23 VAL A 58 -1.707 -5.384 3.385 1.00 4.24 H new ATOM 910 N ALA A 59 -1.908 -0.743 3.879 1.00 2.53 N ATOM 911 CA ALA A 59 -1.801 0.739 3.869 1.00 61.14 C ATOM 912 C ALA A 59 -2.986 1.423 4.605 1.00 41.33 C ATOM 913 O ALA A 59 -2.865 2.558 5.074 1.00 53.14 O ATOM 914 CB ALA A 59 -1.687 1.244 2.425 1.00 33.14 C ATOM 0 H ALA A 59 -2.153 -1.144 2.974 1.00 2.53 H new ATOM 0 HA ALA A 59 -0.898 1.010 4.416 1.00 61.14 H new ATOM 0 HB1 ALA A 59 -1.609 2.331 2.425 1.00 33.14 H new ATOM 0 HB2 ALA A 59 -0.799 0.816 1.959 1.00 33.14 H new ATOM 0 HB3 ALA A 59 -2.572 0.944 1.864 1.00 33.14 H new ATOM 920 N LEU A 60 -4.132 0.719 4.684 1.00 74.23 N ATOM 921 CA LEU A 60 -5.334 1.193 5.407 1.00 13.42 C ATOM 922 C LEU A 60 -5.416 0.604 6.839 1.00 14.10 C ATOM 923 O LEU A 60 -6.322 0.961 7.602 1.00 23.31 O ATOM 924 CB LEU A 60 -6.622 0.844 4.600 1.00 64.44 C ATOM 925 CG LEU A 60 -6.715 1.455 3.161 1.00 43.15 C ATOM 926 CD1 LEU A 60 -8.040 1.071 2.467 1.00 21.30 C ATOM 927 CD2 LEU A 60 -6.499 2.982 3.177 1.00 64.01 C ATOM 0 H LEU A 60 -4.253 -0.195 4.249 1.00 74.23 H new ATOM 0 HA LEU A 60 -5.255 2.276 5.503 1.00 13.42 H new ATOM 0 HB2 LEU A 60 -6.693 -0.241 4.518 1.00 64.44 H new ATOM 0 HB3 LEU A 60 -7.487 1.178 5.172 1.00 64.44 H new ATOM 0 HG LEU A 60 -5.906 1.023 2.572 1.00 43.15 H new ATOM 0 HD11 LEU A 60 -8.070 1.512 1.471 1.00 21.30 H new ATOM 0 HD12 LEU A 60 -8.107 -0.014 2.386 1.00 21.30 H new ATOM 0 HD13 LEU A 60 -8.879 1.443 3.054 1.00 21.30 H new ATOM 0 HD21 LEU A 60 -6.571 3.370 2.161 1.00 64.01 H new ATOM 0 HD22 LEU A 60 -7.261 3.451 3.799 1.00 64.01 H new ATOM 0 HD23 LEU A 60 -5.512 3.206 3.582 1.00 64.01 H new ATOM 939 N SER A 61 -4.468 -0.297 7.200 1.00 20.10 N ATOM 940 CA SER A 61 -4.468 -0.987 8.525 1.00 20.30 C ATOM 941 C SER A 61 -4.260 -0.011 9.707 1.00 20.25 C ATOM 942 O SER A 61 -3.671 1.066 9.548 1.00 44.44 O ATOM 943 CB SER A 61 -3.371 -2.091 8.591 1.00 63.04 C ATOM 944 OG SER A 61 -2.060 -1.557 8.730 1.00 40.30 O ATOM 0 H SER A 61 -3.692 -0.566 6.595 1.00 20.10 H new ATOM 0 HA SER A 61 -5.455 -1.439 8.620 1.00 20.30 H new ATOM 0 HB2 SER A 61 -3.579 -2.754 9.431 1.00 63.04 H new ATOM 0 HB3 SER A 61 -3.417 -2.698 7.687 1.00 63.04 H new ATOM 0 HG SER A 61 -1.705 -1.327 7.846 1.00 40.30 H new ATOM 950 N GLU A 62 -4.735 -0.424 10.900 1.00 43.15 N ATOM 951 CA GLU A 62 -4.516 0.312 12.172 1.00 41.12 C ATOM 952 C GLU A 62 -3.034 0.213 12.612 1.00 54.41 C ATOM 953 O GLU A 62 -2.538 1.065 13.351 1.00 2.33 O ATOM 954 CB GLU A 62 -5.442 -0.224 13.306 1.00 54.33 C ATOM 955 CG GLU A 62 -6.964 0.006 13.111 1.00 23.22 C ATOM 956 CD GLU A 62 -7.577 -0.744 11.911 1.00 62.35 C ATOM 957 OE1 GLU A 62 -7.327 -1.961 11.775 1.00 4.34 O ATOM 958 OE2 GLU A 62 -8.272 -0.115 11.086 1.00 45.11 O ATOM 0 H GLU A 62 -5.282 -1.277 11.014 1.00 43.15 H new ATOM 0 HA GLU A 62 -4.765 1.358 11.992 1.00 41.12 H new ATOM 0 HB2 GLU A 62 -5.268 -1.295 13.414 1.00 54.33 H new ATOM 0 HB3 GLU A 62 -5.142 0.244 14.244 1.00 54.33 H new ATOM 0 HG2 GLU A 62 -7.484 -0.301 14.019 1.00 23.22 H new ATOM 0 HG3 GLU A 62 -7.144 1.074 12.986 1.00 23.22 H new ATOM 965 N LEU A 63 -2.368 -0.859 12.163 1.00 2.13 N ATOM 966 CA LEU A 63 -0.941 -1.131 12.435 1.00 74.21 C ATOM 967 C LEU A 63 -0.035 -0.045 11.780 1.00 0.01 C ATOM 968 O LEU A 63 0.896 0.468 12.407 1.00 73.22 O ATOM 969 CB LEU A 63 -0.554 -2.556 11.911 1.00 13.11 C ATOM 970 CG LEU A 63 -1.187 -3.802 12.646 1.00 52.30 C ATOM 971 CD1 LEU A 63 -2.726 -3.898 12.493 1.00 41.04 C ATOM 972 CD2 LEU A 63 -0.513 -5.118 12.185 1.00 61.13 C ATOM 0 H LEU A 63 -2.810 -1.578 11.590 1.00 2.13 H new ATOM 0 HA LEU A 63 -0.783 -1.098 13.513 1.00 74.21 H new ATOM 0 HB2 LEU A 63 -0.828 -2.612 10.858 1.00 13.11 H new ATOM 0 HB3 LEU A 63 0.531 -2.650 11.964 1.00 13.11 H new ATOM 0 HG LEU A 63 -0.993 -3.651 13.708 1.00 52.30 H new ATOM 0 HD11 LEU A 63 -3.090 -4.778 13.024 1.00 41.04 H new ATOM 0 HD12 LEU A 63 -3.190 -3.004 12.911 1.00 41.04 H new ATOM 0 HD13 LEU A 63 -2.982 -3.979 11.437 1.00 41.04 H new ATOM 0 HD21 LEU A 63 -0.967 -5.961 12.706 1.00 61.13 H new ATOM 0 HD22 LEU A 63 -0.649 -5.239 11.110 1.00 61.13 H new ATOM 0 HD23 LEU A 63 0.552 -5.081 12.414 1.00 61.13 H new ATOM 984 N TYR A 64 -0.341 0.282 10.509 1.00 73.13 N ATOM 985 CA TYR A 64 0.350 1.354 9.753 1.00 65.20 C ATOM 986 C TYR A 64 -0.116 2.760 10.227 1.00 4.22 C ATOM 987 O TYR A 64 0.669 3.713 10.253 1.00 44.33 O ATOM 988 CB TYR A 64 0.085 1.161 8.231 1.00 74.23 C ATOM 989 CG TYR A 64 0.855 2.108 7.288 1.00 70.35 C ATOM 990 CD1 TYR A 64 2.238 2.249 7.385 1.00 71.20 C ATOM 991 CD2 TYR A 64 0.203 2.852 6.295 1.00 44.20 C ATOM 992 CE1 TYR A 64 2.940 3.089 6.540 1.00 45.52 C ATOM 993 CE2 TYR A 64 0.904 3.687 5.441 1.00 74.44 C ATOM 994 CZ TYR A 64 2.276 3.803 5.570 1.00 60.43 C ATOM 995 OH TYR A 64 2.989 4.623 4.716 1.00 53.25 O ATOM 0 H TYR A 64 -1.073 -0.187 9.975 1.00 73.13 H new ATOM 0 HA TYR A 64 1.422 1.289 9.940 1.00 65.20 H new ATOM 0 HB2 TYR A 64 0.335 0.134 7.966 1.00 74.23 H new ATOM 0 HB3 TYR A 64 -0.982 1.287 8.049 1.00 74.23 H new ATOM 0 HD1 TYR A 64 2.774 1.689 8.137 1.00 71.20 H new ATOM 0 HD2 TYR A 64 -0.869 2.772 6.194 1.00 44.20 H new ATOM 0 HE1 TYR A 64 4.011 3.184 6.642 1.00 45.52 H new ATOM 0 HE2 TYR A 64 0.382 4.245 4.678 1.00 74.44 H new ATOM 0 HH TYR A 64 3.777 4.144 4.384 1.00 53.25 H new ATOM 1005 N ARG A 65 -1.403 2.866 10.615 1.00 31.52 N ATOM 1006 CA ARG A 65 -2.012 4.140 11.075 1.00 22.35 C ATOM 1007 C ARG A 65 -1.401 4.645 12.410 1.00 50.30 C ATOM 1008 O ARG A 65 -0.913 5.762 12.478 1.00 15.42 O ATOM 1009 CB ARG A 65 -3.551 3.975 11.213 1.00 51.21 C ATOM 1010 CG ARG A 65 -4.314 5.219 11.737 1.00 55.31 C ATOM 1011 CD ARG A 65 -4.109 6.471 10.866 1.00 63.41 C ATOM 1012 NE ARG A 65 -4.429 6.237 9.449 1.00 70.14 N ATOM 1013 CZ ARG A 65 -4.058 7.002 8.446 1.00 54.42 C ATOM 1014 NH1 ARG A 65 -3.387 8.091 8.646 1.00 22.32 N ATOM 1015 NH2 ARG A 65 -4.358 6.660 7.241 1.00 74.43 N ATOM 0 H ARG A 65 -2.050 2.078 10.620 1.00 31.52 H new ATOM 0 HA ARG A 65 -1.791 4.895 10.320 1.00 22.35 H new ATOM 0 HB2 ARG A 65 -3.958 3.705 10.239 1.00 51.21 H new ATOM 0 HB3 ARG A 65 -3.750 3.140 11.884 1.00 51.21 H new ATOM 0 HG2 ARG A 65 -5.378 4.990 11.786 1.00 55.31 H new ATOM 0 HG3 ARG A 65 -3.987 5.435 12.754 1.00 55.31 H new ATOM 0 HD2 ARG A 65 -4.734 7.279 11.246 1.00 63.41 H new ATOM 0 HD3 ARG A 65 -3.074 6.802 10.950 1.00 63.41 H new ATOM 0 HE ARG A 65 -4.986 5.412 9.226 1.00 70.14 H new ATOM 0 HH11 ARG A 65 -3.137 8.369 9.595 1.00 22.32 H new ATOM 0 HH12 ARG A 65 -3.108 8.671 7.855 1.00 22.32 H new ATOM 0 HH21 ARG A 65 -4.880 5.801 7.070 1.00 74.43 H new ATOM 0 HH22 ARG A 65 -4.074 7.249 6.458 1.00 74.43 H new ATOM 1029 N GLU A 66 -1.425 3.816 13.454 1.00 25.31 N ATOM 1030 CA GLU A 66 -0.981 4.221 14.814 1.00 12.55 C ATOM 1031 C GLU A 66 0.536 4.564 14.816 1.00 54.40 C ATOM 1032 O GLU A 66 0.944 5.637 15.253 1.00 10.12 O ATOM 1033 CB GLU A 66 -1.311 3.075 15.826 1.00 41.32 C ATOM 1034 CG GLU A 66 -1.425 3.474 17.325 1.00 13.04 C ATOM 1035 CD GLU A 66 -0.116 3.952 17.988 1.00 55.03 C ATOM 1036 OE1 GLU A 66 0.777 3.117 18.220 1.00 42.50 O ATOM 1037 OE2 GLU A 66 0.031 5.163 18.262 1.00 5.12 O ATOM 0 H GLU A 66 -1.748 2.850 13.396 1.00 25.31 H new ATOM 0 HA GLU A 66 -1.515 5.121 15.119 1.00 12.55 H new ATOM 0 HB2 GLU A 66 -2.252 2.616 15.524 1.00 41.32 H new ATOM 0 HB3 GLU A 66 -0.540 2.310 15.736 1.00 41.32 H new ATOM 0 HG2 GLU A 66 -2.168 4.266 17.416 1.00 13.04 H new ATOM 0 HG3 GLU A 66 -1.802 2.617 17.883 1.00 13.04 H new ATOM 1044 N LYS A 67 1.336 3.662 14.247 1.00 22.12 N ATOM 1045 CA LYS A 67 2.812 3.724 14.310 1.00 34.23 C ATOM 1046 C LYS A 67 3.434 4.753 13.322 1.00 2.13 C ATOM 1047 O LYS A 67 4.540 5.231 13.549 1.00 52.33 O ATOM 1048 CB LYS A 67 3.371 2.297 14.062 1.00 44.31 C ATOM 1049 CG LYS A 67 4.873 2.130 14.376 1.00 21.31 C ATOM 1050 CD LYS A 67 5.343 0.660 14.290 1.00 51.24 C ATOM 1051 CE LYS A 67 6.802 0.486 14.745 1.00 72.34 C ATOM 1052 NZ LYS A 67 7.196 -0.944 14.848 1.00 23.11 N ATOM 0 H LYS A 67 0.985 2.860 13.724 1.00 22.12 H new ATOM 0 HA LYS A 67 3.094 4.079 15.301 1.00 34.23 H new ATOM 0 HB2 LYS A 67 2.806 1.589 14.669 1.00 44.31 H new ATOM 0 HB3 LYS A 67 3.200 2.030 13.019 1.00 44.31 H new ATOM 0 HG2 LYS A 67 5.454 2.734 13.679 1.00 21.31 H new ATOM 0 HG3 LYS A 67 5.075 2.513 15.376 1.00 21.31 H new ATOM 0 HD2 LYS A 67 4.696 0.037 14.907 1.00 51.24 H new ATOM 0 HD3 LYS A 67 5.240 0.307 13.264 1.00 51.24 H new ATOM 0 HE2 LYS A 67 7.462 0.992 14.041 1.00 72.34 H new ATOM 0 HE3 LYS A 67 6.938 0.968 15.713 1.00 72.34 H new ATOM 0 HZ1 LYS A 67 8.187 -1.010 15.158 1.00 23.11 H new ATOM 0 HZ2 LYS A 67 6.585 -1.424 15.539 1.00 23.11 H new ATOM 0 HZ3 LYS A 67 7.093 -1.400 13.919 1.00 23.11 H new ATOM 1066 N PHE A 68 2.770 5.052 12.189 1.00 5.33 N ATOM 1067 CA PHE A 68 3.338 5.991 11.165 1.00 1.21 C ATOM 1068 C PHE A 68 2.557 7.312 11.007 1.00 52.45 C ATOM 1069 O PHE A 68 3.051 8.239 10.361 1.00 11.11 O ATOM 1070 CB PHE A 68 3.504 5.245 9.818 1.00 1.43 C ATOM 1071 CG PHE A 68 4.478 4.068 9.938 1.00 44.42 C ATOM 1072 CD1 PHE A 68 4.029 2.796 10.291 1.00 22.00 C ATOM 1073 CD2 PHE A 68 5.849 4.254 9.763 1.00 42.45 C ATOM 1074 CE1 PHE A 68 4.915 1.751 10.458 1.00 64.51 C ATOM 1075 CE2 PHE A 68 6.729 3.203 9.923 1.00 24.25 C ATOM 1076 CZ PHE A 68 6.263 1.953 10.275 1.00 33.53 C ATOM 0 H PHE A 68 1.854 4.672 11.949 1.00 5.33 H new ATOM 0 HA PHE A 68 4.316 6.307 11.530 1.00 1.21 H new ATOM 0 HB2 PHE A 68 2.533 4.881 9.482 1.00 1.43 H new ATOM 0 HB3 PHE A 68 3.864 5.940 9.059 1.00 1.43 H new ATOM 0 HD1 PHE A 68 2.972 2.626 10.436 1.00 22.00 H new ATOM 0 HD2 PHE A 68 6.226 5.231 9.499 1.00 42.45 H new ATOM 0 HE1 PHE A 68 4.549 0.773 10.733 1.00 64.51 H new ATOM 0 HE2 PHE A 68 7.787 3.360 9.772 1.00 24.25 H new ATOM 0 HZ PHE A 68 6.955 1.135 10.407 1.00 33.53 H new ATOM 1086 N PHE A 69 1.329 7.402 11.537 1.00 73.11 N ATOM 1087 CA PHE A 69 0.595 8.698 11.598 1.00 20.43 C ATOM 1088 C PHE A 69 0.847 9.448 12.942 1.00 42.33 C ATOM 1089 O PHE A 69 0.913 10.680 12.958 1.00 22.04 O ATOM 1090 CB PHE A 69 -0.914 8.500 11.329 1.00 51.34 C ATOM 1091 CG PHE A 69 -1.688 9.786 11.037 1.00 53.22 C ATOM 1092 CD1 PHE A 69 -1.381 10.559 9.916 1.00 2.53 C ATOM 1093 CD2 PHE A 69 -2.724 10.213 11.866 1.00 1.01 C ATOM 1094 CE1 PHE A 69 -2.084 11.716 9.640 1.00 74.12 C ATOM 1095 CE2 PHE A 69 -3.426 11.372 11.587 1.00 23.24 C ATOM 1096 CZ PHE A 69 -3.105 12.124 10.473 1.00 73.11 C ATOM 0 H PHE A 69 0.819 6.610 11.928 1.00 73.11 H new ATOM 0 HA PHE A 69 0.991 9.332 10.804 1.00 20.43 H new ATOM 0 HB2 PHE A 69 -1.032 7.822 10.484 1.00 51.34 H new ATOM 0 HB3 PHE A 69 -1.362 8.012 12.194 1.00 51.34 H new ATOM 0 HD1 PHE A 69 -0.584 10.249 9.256 1.00 2.53 H new ATOM 0 HD2 PHE A 69 -2.982 9.631 12.738 1.00 1.01 H new ATOM 0 HE1 PHE A 69 -1.833 12.303 8.769 1.00 74.12 H new ATOM 0 HE2 PHE A 69 -4.225 11.689 12.240 1.00 23.24 H new ATOM 0 HZ PHE A 69 -3.652 13.029 10.255 1.00 73.11 H new ATOM 1106 N HIS A 70 0.965 8.701 14.077 1.00 40.03 N ATOM 1107 CA HIS A 70 1.189 9.324 15.423 1.00 25.12 C ATOM 1108 C HIS A 70 2.697 9.508 15.724 1.00 24.51 C ATOM 1109 O HIS A 70 3.108 10.530 16.278 1.00 72.40 O ATOM 1110 CB HIS A 70 0.570 8.458 16.559 1.00 63.35 C ATOM 1111 CG HIS A 70 -0.913 8.223 16.491 1.00 61.34 C ATOM 1112 ND1 HIS A 70 -1.571 7.448 17.418 1.00 42.43 N ATOM 1113 CD2 HIS A 70 -1.865 8.665 15.638 1.00 4.33 C ATOM 1114 CE1 HIS A 70 -2.850 7.422 17.146 1.00 54.34 C ATOM 1115 NE2 HIS A 70 -3.061 8.152 16.073 1.00 54.12 N ATOM 0 H HIS A 70 0.910 7.683 14.092 1.00 40.03 H new ATOM 0 HA HIS A 70 0.701 10.298 15.392 1.00 25.12 H new ATOM 0 HB2 HIS A 70 1.069 7.489 16.560 1.00 63.35 H new ATOM 0 HB3 HIS A 70 0.797 8.934 17.513 1.00 63.35 H new ATOM 0 HD1 HIS A 70 -1.128 6.966 18.200 1.00 42.43 H new ATOM 0 HD2 HIS A 70 -1.713 9.301 14.778 1.00 4.33 H new ATOM 0 HE1 HIS A 70 -3.605 6.891 17.707 1.00 54.34 H new ATOM 1124 N ASN A 71 3.514 8.518 15.329 1.00 2.32 N ATOM 1125 CA ASN A 71 4.974 8.498 15.628 1.00 43.22 C ATOM 1126 C ASN A 71 5.794 9.210 14.513 1.00 1.25 C ATOM 1127 O ASN A 71 7.025 9.283 14.579 1.00 72.21 O ATOM 1128 CB ASN A 71 5.423 7.022 15.801 1.00 62.31 C ATOM 1129 CG ASN A 71 6.799 6.815 16.433 1.00 71.43 C ATOM 1130 OD1 ASN A 71 7.551 5.929 16.039 1.00 31.00 O ATOM 1131 ND2 ASN A 71 7.133 7.588 17.447 1.00 5.12 N ATOM 0 H ASN A 71 3.194 7.709 14.796 1.00 2.32 H new ATOM 0 HA ASN A 71 5.161 9.048 16.551 1.00 43.22 H new ATOM 0 HB2 ASN A 71 4.682 6.506 16.412 1.00 62.31 H new ATOM 0 HB3 ASN A 71 5.418 6.543 14.822 1.00 62.31 H new ATOM 0 HD21 ASN A 71 8.028 7.454 17.917 1.00 5.12 H new ATOM 0 HD22 ASN A 71 6.496 8.320 17.762 1.00 5.12 H new ATOM 1138 N ASN A 72 5.086 9.742 13.503 1.00 14.25 N ATOM 1139 CA ASN A 72 5.687 10.435 12.341 1.00 2.35 C ATOM 1140 C ASN A 72 4.797 11.624 11.900 1.00 3.44 C ATOM 1141 O ASN A 72 3.576 11.606 12.097 1.00 12.21 O ATOM 1142 CB ASN A 72 5.861 9.418 11.181 1.00 2.13 C ATOM 1143 CG ASN A 72 6.492 9.989 9.910 1.00 22.25 C ATOM 1144 OD1 ASN A 72 7.359 10.858 9.965 1.00 2.30 O ATOM 1145 ND2 ASN A 72 6.046 9.523 8.761 1.00 15.15 N ATOM 0 H ASN A 72 4.067 9.705 13.466 1.00 14.25 H new ATOM 0 HA ASN A 72 6.662 10.835 12.618 1.00 2.35 H new ATOM 0 HB2 ASN A 72 6.476 8.590 11.533 1.00 2.13 H new ATOM 0 HB3 ASN A 72 4.884 9.006 10.930 1.00 2.13 H new ATOM 0 HD21 ASN A 72 6.421 9.884 7.884 1.00 15.15 H new ATOM 0 HD22 ASN A 72 5.325 8.801 8.749 1.00 15.15 H new ATOM 1152 N ALA A 73 5.433 12.647 11.300 1.00 30.32 N ATOM 1153 CA ALA A 73 4.744 13.834 10.752 1.00 72.31 C ATOM 1154 C ALA A 73 3.936 13.476 9.475 1.00 11.41 C ATOM 1155 O ALA A 73 4.428 12.721 8.637 1.00 63.53 O ATOM 1156 CB ALA A 73 5.769 14.943 10.452 1.00 42.54 C ATOM 0 H ALA A 73 6.446 12.675 11.180 1.00 30.32 H new ATOM 0 HA ALA A 73 4.037 14.196 11.499 1.00 72.31 H new ATOM 0 HB1 ALA A 73 5.254 15.815 10.048 1.00 42.54 H new ATOM 0 HB2 ALA A 73 6.285 15.220 11.371 1.00 42.54 H new ATOM 0 HB3 ALA A 73 6.494 14.581 9.724 1.00 42.54 H new ATOM 1162 N HIS A 74 2.703 14.031 9.343 1.00 1.04 N ATOM 1163 CA HIS A 74 1.794 13.768 8.187 1.00 55.13 C ATOM 1164 C HIS A 74 2.473 14.044 6.811 1.00 22.14 C ATOM 1165 O HIS A 74 2.257 13.299 5.857 1.00 73.24 O ATOM 1166 CB HIS A 74 0.496 14.607 8.330 1.00 32.22 C ATOM 1167 CG HIS A 74 -0.475 14.491 7.166 1.00 30.32 C ATOM 1168 ND1 HIS A 74 -0.930 15.602 6.498 1.00 42.33 N ATOM 1169 CD2 HIS A 74 -1.040 13.388 6.597 1.00 31.45 C ATOM 1170 CE1 HIS A 74 -1.740 15.162 5.555 1.00 3.04 C ATOM 1171 NE2 HIS A 74 -1.838 13.828 5.573 1.00 43.33 N ATOM 0 H HIS A 74 2.308 14.672 10.031 1.00 1.04 H new ATOM 0 HA HIS A 74 1.547 12.706 8.207 1.00 55.13 H new ATOM 0 HB2 HIS A 74 -0.016 14.303 9.243 1.00 32.22 H new ATOM 0 HB3 HIS A 74 0.770 15.655 8.452 1.00 32.22 H new ATOM 0 HD2 HIS A 74 -0.888 12.362 6.897 1.00 31.45 H new ATOM 0 HE1 HIS A 74 -2.260 15.799 4.855 1.00 3.04 H new ATOM 0 HE2 HIS A 74 -2.398 13.250 4.946 1.00 43.33 H new ATOM 1179 N ASN A 75 3.290 15.110 6.736 1.00 32.40 N ATOM 1180 CA ASN A 75 4.096 15.448 5.525 1.00 71.35 C ATOM 1181 C ASN A 75 5.014 14.277 5.093 1.00 2.31 C ATOM 1182 O ASN A 75 5.055 13.896 3.913 1.00 5.35 O ATOM 1183 CB ASN A 75 4.954 16.698 5.803 1.00 64.22 C ATOM 1184 CG ASN A 75 4.105 17.910 6.159 1.00 34.22 C ATOM 1185 OD1 ASN A 75 3.759 18.120 7.319 1.00 5.13 O ATOM 1186 ND2 ASN A 75 3.758 18.714 5.172 1.00 70.30 N ATOM 0 H ASN A 75 3.417 15.767 7.506 1.00 32.40 H new ATOM 0 HA ASN A 75 3.399 15.644 4.710 1.00 71.35 H new ATOM 0 HB2 ASN A 75 5.645 16.488 6.619 1.00 64.22 H new ATOM 0 HB3 ASN A 75 5.558 16.925 4.924 1.00 64.22 H new ATOM 0 HD21 ASN A 75 3.186 19.537 5.362 1.00 70.30 H new ATOM 0 HD22 ASN A 75 4.061 18.512 4.219 1.00 70.30 H new ATOM 1193 N ARG A 76 5.732 13.711 6.077 1.00 62.15 N ATOM 1194 CA ARG A 76 6.653 12.575 5.866 1.00 73.14 C ATOM 1195 C ARG A 76 5.861 11.257 5.653 1.00 4.01 C ATOM 1196 O ARG A 76 6.337 10.349 4.982 1.00 74.34 O ATOM 1197 CB ARG A 76 7.626 12.438 7.072 1.00 61.44 C ATOM 1198 CG ARG A 76 8.842 11.512 6.820 1.00 71.34 C ATOM 1199 CD ARG A 76 9.843 12.109 5.805 1.00 52.35 C ATOM 1200 NE ARG A 76 10.438 13.370 6.290 1.00 14.44 N ATOM 1201 CZ ARG A 76 11.275 14.141 5.628 1.00 74.14 C ATOM 1202 NH1 ARG A 76 11.618 13.892 4.402 1.00 71.44 N ATOM 1203 NH2 ARG A 76 11.752 15.195 6.201 1.00 45.21 N ATOM 0 H ARG A 76 5.692 14.028 7.046 1.00 62.15 H new ATOM 0 HA ARG A 76 7.238 12.769 4.967 1.00 73.14 H new ATOM 0 HB2 ARG A 76 7.991 13.429 7.341 1.00 61.44 H new ATOM 0 HB3 ARG A 76 7.069 12.059 7.929 1.00 61.44 H new ATOM 0 HG2 ARG A 76 9.354 11.326 7.764 1.00 71.34 H new ATOM 0 HG3 ARG A 76 8.490 10.548 6.453 1.00 71.34 H new ATOM 0 HD2 ARG A 76 10.635 11.386 5.609 1.00 52.35 H new ATOM 0 HD3 ARG A 76 9.335 12.289 4.858 1.00 52.35 H new ATOM 0 HE ARG A 76 10.175 13.673 7.228 1.00 14.44 H new ATOM 0 HH11 ARG A 76 11.236 13.077 3.921 1.00 71.44 H new ATOM 0 HH12 ARG A 76 12.269 14.511 3.919 1.00 71.44 H new ATOM 0 HH21 ARG A 76 11.480 15.423 7.157 1.00 45.21 H new ATOM 0 HH22 ARG A 76 12.401 15.800 5.698 1.00 45.21 H new ATOM 1217 N PHE A 77 4.655 11.172 6.254 1.00 21.13 N ATOM 1218 CA PHE A 77 3.721 10.028 6.095 1.00 60.33 C ATOM 1219 C PHE A 77 3.206 9.934 4.638 1.00 61.32 C ATOM 1220 O PHE A 77 3.027 8.836 4.107 1.00 30.51 O ATOM 1221 CB PHE A 77 2.538 10.171 7.098 1.00 23.33 C ATOM 1222 CG PHE A 77 1.448 9.098 6.997 1.00 5.33 C ATOM 1223 CD1 PHE A 77 1.684 7.797 7.442 1.00 35.25 C ATOM 1224 CD2 PHE A 77 0.187 9.388 6.455 1.00 21.44 C ATOM 1225 CE1 PHE A 77 0.703 6.826 7.355 1.00 3.32 C ATOM 1226 CE2 PHE A 77 -0.792 8.414 6.368 1.00 72.31 C ATOM 1227 CZ PHE A 77 -0.531 7.132 6.817 1.00 22.44 C ATOM 0 H PHE A 77 4.295 11.901 6.870 1.00 21.13 H new ATOM 0 HA PHE A 77 4.256 9.104 6.314 1.00 60.33 H new ATOM 0 HB2 PHE A 77 2.941 10.159 8.111 1.00 23.33 H new ATOM 0 HB3 PHE A 77 2.076 11.147 6.950 1.00 23.33 H new ATOM 0 HD1 PHE A 77 2.647 7.544 7.861 1.00 35.25 H new ATOM 0 HD2 PHE A 77 -0.023 10.386 6.100 1.00 21.44 H new ATOM 0 HE1 PHE A 77 0.903 5.825 7.709 1.00 3.32 H new ATOM 0 HE2 PHE A 77 -1.758 8.654 5.950 1.00 72.31 H new ATOM 0 HZ PHE A 77 -1.293 6.370 6.747 1.00 22.44 H new ATOM 1237 N ILE A 78 2.973 11.100 4.008 1.00 43.05 N ATOM 1238 CA ILE A 78 2.640 11.191 2.567 1.00 35.42 C ATOM 1239 C ILE A 78 3.830 10.683 1.712 1.00 65.52 C ATOM 1240 O ILE A 78 3.638 9.895 0.786 1.00 34.55 O ATOM 1241 CB ILE A 78 2.236 12.669 2.165 1.00 23.24 C ATOM 1242 CG1 ILE A 78 0.924 13.091 2.908 1.00 44.02 C ATOM 1243 CG2 ILE A 78 2.085 12.849 0.631 1.00 51.01 C ATOM 1244 CD1 ILE A 78 0.473 14.528 2.667 1.00 72.55 C ATOM 0 H ILE A 78 3.009 12.005 4.478 1.00 43.05 H new ATOM 0 HA ILE A 78 1.777 10.554 2.371 1.00 35.42 H new ATOM 0 HB ILE A 78 3.050 13.324 2.476 1.00 23.24 H new ATOM 0 HG12 ILE A 78 0.121 12.420 2.603 1.00 44.02 H new ATOM 0 HG13 ILE A 78 1.070 12.948 3.979 1.00 44.02 H new ATOM 0 HG21 ILE A 78 1.807 13.880 0.411 1.00 51.01 H new ATOM 0 HG22 ILE A 78 3.031 12.616 0.142 1.00 51.01 H new ATOM 0 HG23 ILE A 78 1.310 12.178 0.260 1.00 51.01 H new ATOM 0 HD11 ILE A 78 -0.443 14.720 3.225 1.00 72.55 H new ATOM 0 HD12 ILE A 78 1.252 15.214 3.000 1.00 72.55 H new ATOM 0 HD13 ILE A 78 0.288 14.678 1.603 1.00 72.55 H new ATOM 1256 N GLU A 79 5.065 11.104 2.075 1.00 73.45 N ATOM 1257 CA GLU A 79 6.304 10.594 1.436 1.00 4.12 C ATOM 1258 C GLU A 79 6.423 9.058 1.545 1.00 70.13 C ATOM 1259 O GLU A 79 6.863 8.387 0.598 1.00 75.42 O ATOM 1260 CB GLU A 79 7.567 11.224 2.060 1.00 73.23 C ATOM 1261 CG GLU A 79 7.727 12.743 1.859 1.00 61.52 C ATOM 1262 CD GLU A 79 9.119 13.274 2.251 1.00 54.12 C ATOM 1263 OE1 GLU A 79 10.073 12.468 2.408 1.00 5.33 O ATOM 1264 OE2 GLU A 79 9.276 14.500 2.387 1.00 42.41 O ATOM 0 H GLU A 79 5.231 11.795 2.807 1.00 73.45 H new ATOM 0 HA GLU A 79 6.233 10.876 0.385 1.00 4.12 H new ATOM 0 HB2 GLU A 79 7.563 11.016 3.130 1.00 73.23 H new ATOM 0 HB3 GLU A 79 8.442 10.727 1.642 1.00 73.23 H new ATOM 0 HG2 GLU A 79 7.536 12.985 0.813 1.00 61.52 H new ATOM 0 HG3 GLU A 79 6.971 13.261 2.449 1.00 61.52 H new ATOM 1271 N LEU A 80 6.031 8.525 2.720 1.00 74.23 N ATOM 1272 CA LEU A 80 5.989 7.080 2.977 1.00 14.24 C ATOM 1273 C LEU A 80 5.041 6.381 1.979 1.00 13.23 C ATOM 1274 O LEU A 80 5.461 5.470 1.284 1.00 42.03 O ATOM 1275 CB LEU A 80 5.571 6.779 4.444 1.00 34.20 C ATOM 1276 CG LEU A 80 6.584 7.198 5.561 1.00 53.13 C ATOM 1277 CD1 LEU A 80 6.071 6.779 6.959 1.00 21.25 C ATOM 1278 CD2 LEU A 80 8.005 6.645 5.283 1.00 11.05 C ATOM 0 H LEU A 80 5.735 9.090 3.516 1.00 74.23 H new ATOM 0 HA LEU A 80 6.994 6.683 2.833 1.00 14.24 H new ATOM 0 HB2 LEU A 80 4.623 7.281 4.638 1.00 34.20 H new ATOM 0 HB3 LEU A 80 5.389 5.708 4.534 1.00 34.20 H new ATOM 0 HG LEU A 80 6.659 8.285 5.548 1.00 53.13 H new ATOM 0 HD11 LEU A 80 6.793 7.082 7.717 1.00 21.25 H new ATOM 0 HD12 LEU A 80 5.114 7.263 7.155 1.00 21.25 H new ATOM 0 HD13 LEU A 80 5.944 5.697 6.991 1.00 21.25 H new ATOM 0 HD21 LEU A 80 8.679 6.957 6.080 1.00 11.05 H new ATOM 0 HD22 LEU A 80 7.970 5.556 5.243 1.00 11.05 H new ATOM 0 HD23 LEU A 80 8.366 7.032 4.330 1.00 11.05 H new ATOM 1290 N ASN A 81 3.791 6.870 1.872 1.00 51.32 N ATOM 1291 CA ASN A 81 2.770 6.317 0.933 1.00 2.25 C ATOM 1292 C ASN A 81 3.284 6.241 -0.538 1.00 5.34 C ATOM 1293 O ASN A 81 3.007 5.278 -1.248 1.00 3.51 O ATOM 1294 CB ASN A 81 1.469 7.164 1.016 1.00 41.45 C ATOM 1295 CG ASN A 81 0.734 7.031 2.358 1.00 20.22 C ATOM 1296 OD1 ASN A 81 1.322 6.719 3.391 1.00 70.35 O ATOM 1297 ND2 ASN A 81 -0.555 7.291 2.365 1.00 35.00 N ATOM 0 H ASN A 81 3.452 7.656 2.427 1.00 51.32 H new ATOM 0 HA ASN A 81 2.561 5.293 1.241 1.00 2.25 H new ATOM 0 HB2 ASN A 81 1.717 8.212 0.849 1.00 41.45 H new ATOM 0 HB3 ASN A 81 0.797 6.863 0.212 1.00 41.45 H new ATOM 0 HD21 ASN A 81 -1.082 7.235 3.237 1.00 35.00 H new ATOM 0 HD22 ASN A 81 -1.028 7.549 1.499 1.00 35.00 H new ATOM 1304 N PHE A 82 4.062 7.246 -0.965 1.00 34.41 N ATOM 1305 CA PHE A 82 4.693 7.263 -2.312 1.00 22.25 C ATOM 1306 C PHE A 82 5.731 6.119 -2.500 1.00 55.41 C ATOM 1307 O PHE A 82 5.636 5.331 -3.448 1.00 21.24 O ATOM 1308 CB PHE A 82 5.378 8.636 -2.558 1.00 3.41 C ATOM 1309 CG PHE A 82 4.438 9.769 -2.962 1.00 62.21 C ATOM 1310 CD1 PHE A 82 3.324 10.093 -2.191 1.00 62.32 C ATOM 1311 CD2 PHE A 82 4.686 10.524 -4.105 1.00 31.31 C ATOM 1312 CE1 PHE A 82 2.495 11.134 -2.548 1.00 0.01 C ATOM 1313 CE2 PHE A 82 3.855 11.558 -4.456 1.00 20.10 C ATOM 1314 CZ PHE A 82 2.760 11.864 -3.681 1.00 55.13 C ATOM 0 H PHE A 82 4.276 8.067 -0.400 1.00 34.41 H new ATOM 0 HA PHE A 82 3.898 7.104 -3.040 1.00 22.25 H new ATOM 0 HB2 PHE A 82 5.905 8.929 -1.650 1.00 3.41 H new ATOM 0 HB3 PHE A 82 6.130 8.514 -3.337 1.00 3.41 H new ATOM 0 HD1 PHE A 82 3.107 9.520 -1.301 1.00 62.32 H new ATOM 0 HD2 PHE A 82 5.542 10.293 -4.722 1.00 31.31 H new ATOM 0 HE1 PHE A 82 1.638 11.376 -1.938 1.00 0.01 H new ATOM 0 HE2 PHE A 82 4.062 12.135 -5.345 1.00 20.10 H new ATOM 0 HZ PHE A 82 2.109 12.678 -3.963 1.00 55.13 H new ATOM 1324 N LYS A 83 6.732 6.049 -1.600 1.00 60.45 N ATOM 1325 CA LYS A 83 7.846 5.064 -1.703 1.00 33.43 C ATOM 1326 C LYS A 83 7.429 3.615 -1.333 1.00 2.25 C ATOM 1327 O LYS A 83 8.069 2.650 -1.757 1.00 52.50 O ATOM 1328 CB LYS A 83 9.082 5.538 -0.897 1.00 62.43 C ATOM 1329 CG LYS A 83 8.852 5.755 0.615 1.00 15.32 C ATOM 1330 CD LYS A 83 10.055 6.461 1.295 1.00 25.22 C ATOM 1331 CE LYS A 83 10.348 7.854 0.685 1.00 73.20 C ATOM 1332 NZ LYS A 83 11.521 8.518 1.313 1.00 53.11 N ATOM 0 H LYS A 83 6.799 6.662 -0.788 1.00 60.45 H new ATOM 0 HA LYS A 83 8.124 5.022 -2.756 1.00 33.43 H new ATOM 0 HB2 LYS A 83 9.878 4.804 -1.023 1.00 62.43 H new ATOM 0 HB3 LYS A 83 9.438 6.473 -1.330 1.00 62.43 H new ATOM 0 HG2 LYS A 83 7.952 6.352 0.762 1.00 15.32 H new ATOM 0 HG3 LYS A 83 8.678 4.793 1.096 1.00 15.32 H new ATOM 0 HD2 LYS A 83 9.853 6.570 2.361 1.00 25.22 H new ATOM 0 HD3 LYS A 83 10.941 5.833 1.201 1.00 25.22 H new ATOM 0 HE2 LYS A 83 10.525 7.748 -0.385 1.00 73.20 H new ATOM 0 HE3 LYS A 83 9.470 8.489 0.801 1.00 73.20 H new ATOM 0 HZ1 LYS A 83 11.674 9.446 0.869 1.00 53.11 H new ATOM 0 HZ2 LYS A 83 11.344 8.646 2.330 1.00 53.11 H new ATOM 0 HZ3 LYS A 83 12.367 7.927 1.180 1.00 53.11 H new ATOM 1346 N HIS A 84 6.375 3.483 -0.524 1.00 50.12 N ATOM 1347 CA HIS A 84 5.852 2.173 -0.073 1.00 20.42 C ATOM 1348 C HIS A 84 4.951 1.504 -1.144 1.00 44.14 C ATOM 1349 O HIS A 84 5.067 0.299 -1.396 1.00 51.35 O ATOM 1350 CB HIS A 84 5.086 2.346 1.270 1.00 21.44 C ATOM 1351 CG HIS A 84 5.962 2.759 2.438 1.00 2.13 C ATOM 1352 ND1 HIS A 84 5.455 3.168 3.654 1.00 32.12 N ATOM 1353 CD2 HIS A 84 7.313 2.783 2.585 1.00 63.41 C ATOM 1354 CE1 HIS A 84 6.442 3.409 4.489 1.00 0.15 C ATOM 1355 NE2 HIS A 84 7.572 3.184 3.869 1.00 71.04 N ATOM 0 H HIS A 84 5.853 4.279 -0.157 1.00 50.12 H new ATOM 0 HA HIS A 84 6.701 1.507 0.082 1.00 20.42 H new ATOM 0 HB2 HIS A 84 4.304 3.093 1.135 1.00 21.44 H new ATOM 0 HB3 HIS A 84 4.591 1.407 1.516 1.00 21.44 H new ATOM 0 HD2 HIS A 84 8.045 2.533 1.831 1.00 63.41 H new ATOM 0 HE1 HIS A 84 6.338 3.737 5.513 1.00 0.15 H new ATOM 0 HE2 HIS A 84 8.500 3.291 4.278 1.00 71.04 H new ATOM 1364 N LEU A 85 4.056 2.298 -1.771 1.00 0.04 N ATOM 1365 CA LEU A 85 3.085 1.782 -2.775 1.00 22.34 C ATOM 1366 C LEU A 85 3.668 1.787 -4.217 1.00 61.15 C ATOM 1367 O LEU A 85 3.246 0.994 -5.058 1.00 25.24 O ATOM 1368 CB LEU A 85 1.767 2.619 -2.726 1.00 64.53 C ATOM 1369 CG LEU A 85 1.093 2.790 -1.315 1.00 22.31 C ATOM 1370 CD1 LEU A 85 -0.201 3.632 -1.403 1.00 41.53 C ATOM 1371 CD2 LEU A 85 0.839 1.429 -0.632 1.00 31.25 C ATOM 0 H LEU A 85 3.982 3.301 -1.603 1.00 0.04 H new ATOM 0 HA LEU A 85 2.871 0.745 -2.516 1.00 22.34 H new ATOM 0 HB2 LEU A 85 1.978 3.611 -3.125 1.00 64.53 H new ATOM 0 HB3 LEU A 85 1.043 2.154 -3.395 1.00 64.53 H new ATOM 0 HG LEU A 85 1.796 3.337 -0.687 1.00 22.31 H new ATOM 0 HD11 LEU A 85 -0.640 3.730 -0.410 1.00 41.53 H new ATOM 0 HD12 LEU A 85 0.035 4.622 -1.794 1.00 41.53 H new ATOM 0 HD13 LEU A 85 -0.911 3.139 -2.067 1.00 41.53 H new ATOM 0 HD21 LEU A 85 0.373 1.591 0.340 1.00 31.25 H new ATOM 0 HD22 LEU A 85 0.178 0.827 -1.256 1.00 31.25 H new ATOM 0 HD23 LEU A 85 1.786 0.907 -0.497 1.00 31.25 H new ATOM 1383 N LEU A 86 4.637 2.693 -4.495 1.00 11.14 N ATOM 1384 CA LEU A 86 5.208 2.887 -5.869 1.00 43.32 C ATOM 1385 C LEU A 86 6.761 2.932 -5.900 1.00 30.30 C ATOM 1386 O LEU A 86 7.366 2.599 -6.916 1.00 31.20 O ATOM 1387 CB LEU A 86 4.627 4.198 -6.483 1.00 4.32 C ATOM 1388 CG LEU A 86 3.166 4.110 -7.028 1.00 74.01 C ATOM 1389 CD1 LEU A 86 2.604 5.499 -7.373 1.00 2.14 C ATOM 1390 CD2 LEU A 86 3.107 3.179 -8.255 1.00 13.21 C ATOM 0 H LEU A 86 5.046 3.307 -3.790 1.00 11.14 H new ATOM 0 HA LEU A 86 4.919 2.017 -6.459 1.00 43.32 H new ATOM 0 HB2 LEU A 86 4.664 4.979 -5.723 1.00 4.32 H new ATOM 0 HB3 LEU A 86 5.279 4.514 -7.297 1.00 4.32 H new ATOM 0 HG LEU A 86 2.541 3.692 -6.239 1.00 74.01 H new ATOM 0 HD11 LEU A 86 1.586 5.397 -7.749 1.00 2.14 H new ATOM 0 HD12 LEU A 86 2.600 6.122 -6.479 1.00 2.14 H new ATOM 0 HD13 LEU A 86 3.227 5.964 -8.136 1.00 2.14 H new ATOM 0 HD21 LEU A 86 2.083 3.128 -8.624 1.00 13.21 H new ATOM 0 HD22 LEU A 86 3.756 3.569 -9.039 1.00 13.21 H new ATOM 0 HD23 LEU A 86 3.441 2.181 -7.971 1.00 13.21 H new ATOM 1402 N GLY A 87 7.401 3.362 -4.806 1.00 73.33 N ATOM 1403 CA GLY A 87 8.867 3.554 -4.793 1.00 75.21 C ATOM 1404 C GLY A 87 9.309 4.894 -5.403 1.00 25.34 C ATOM 1405 O GLY A 87 10.314 4.959 -6.120 1.00 61.34 O ATOM 0 H GLY A 87 6.938 3.583 -3.924 1.00 73.33 H new ATOM 0 HA2 GLY A 87 9.225 3.495 -3.765 1.00 75.21 H new ATOM 0 HA3 GLY A 87 9.338 2.739 -5.343 1.00 75.21 H new ATOM 1409 N ARG A 88 8.545 5.970 -5.102 1.00 25.32 N ATOM 1410 CA ARG A 88 8.810 7.348 -5.602 1.00 10.32 C ATOM 1411 C ARG A 88 8.899 8.374 -4.435 1.00 34.11 C ATOM 1412 O ARG A 88 8.503 8.086 -3.301 1.00 75.44 O ATOM 1413 CB ARG A 88 7.710 7.766 -6.629 1.00 53.44 C ATOM 1414 CG ARG A 88 6.260 7.653 -6.105 1.00 1.12 C ATOM 1415 CD ARG A 88 5.191 8.008 -7.162 1.00 22.42 C ATOM 1416 NE ARG A 88 5.142 9.443 -7.484 1.00 5.20 N ATOM 1417 CZ ARG A 88 4.356 9.990 -8.394 1.00 64.15 C ATOM 1418 NH1 ARG A 88 3.644 9.267 -9.210 1.00 33.15 N ATOM 1419 NH2 ARG A 88 4.307 11.272 -8.498 1.00 24.31 N ATOM 0 H ARG A 88 7.722 5.911 -4.502 1.00 25.32 H new ATOM 0 HA ARG A 88 9.778 7.346 -6.104 1.00 10.32 H new ATOM 0 HB2 ARG A 88 7.892 8.796 -6.936 1.00 53.44 H new ATOM 0 HB3 ARG A 88 7.809 7.146 -7.520 1.00 53.44 H new ATOM 0 HG2 ARG A 88 6.088 6.636 -5.754 1.00 1.12 H new ATOM 0 HG3 ARG A 88 6.141 8.312 -5.245 1.00 1.12 H new ATOM 0 HD2 ARG A 88 5.391 7.445 -8.074 1.00 22.42 H new ATOM 0 HD3 ARG A 88 4.213 7.691 -6.800 1.00 22.42 H new ATOM 0 HE ARG A 88 5.763 10.063 -6.964 1.00 5.20 H new ATOM 0 HH11 ARG A 88 3.684 8.249 -9.157 1.00 33.15 H new ATOM 0 HH12 ARG A 88 3.046 9.718 -9.902 1.00 33.15 H new ATOM 0 HH21 ARG A 88 4.872 11.856 -7.881 1.00 24.31 H new ATOM 0 HH22 ARG A 88 3.703 11.704 -9.197 1.00 24.31 H new ATOM 1433 N ALA A 89 9.426 9.574 -4.739 1.00 41.15 N ATOM 1434 CA ALA A 89 9.694 10.644 -3.747 1.00 23.23 C ATOM 1435 C ALA A 89 8.934 11.953 -4.108 1.00 70.03 C ATOM 1436 O ALA A 89 9.093 12.457 -5.230 1.00 21.32 O ATOM 1437 CB ALA A 89 11.210 10.897 -3.659 1.00 21.24 C ATOM 0 H ALA A 89 9.683 9.836 -5.691 1.00 41.15 H new ATOM 0 HA ALA A 89 9.330 10.316 -2.773 1.00 23.23 H new ATOM 0 HB1 ALA A 89 11.406 11.683 -2.930 1.00 21.24 H new ATOM 0 HB2 ALA A 89 11.714 9.982 -3.350 1.00 21.24 H new ATOM 0 HB3 ALA A 89 11.585 11.206 -4.635 1.00 21.24 H new ATOM 1443 N PRO A 90 8.067 12.509 -3.191 1.00 52.21 N ATOM 1444 CA PRO A 90 7.442 13.844 -3.383 1.00 0.22 C ATOM 1445 C PRO A 90 8.500 14.984 -3.411 1.00 15.25 C ATOM 1446 O PRO A 90 8.810 15.597 -2.386 1.00 4.02 O ATOM 1447 CB PRO A 90 6.464 13.991 -2.180 1.00 62.33 C ATOM 1448 CG PRO A 90 6.315 12.610 -1.632 1.00 23.45 C ATOM 1449 CD PRO A 90 7.620 11.894 -1.923 1.00 72.24 C ATOM 0 HA PRO A 90 6.929 13.921 -4.342 1.00 0.22 H new ATOM 0 HB2 PRO A 90 6.862 14.673 -1.429 1.00 62.33 H new ATOM 0 HB3 PRO A 90 5.503 14.395 -2.499 1.00 62.33 H new ATOM 0 HG2 PRO A 90 6.116 12.636 -0.561 1.00 23.45 H new ATOM 0 HG3 PRO A 90 5.476 12.095 -2.099 1.00 23.45 H new ATOM 0 HD2 PRO A 90 8.347 12.043 -1.125 1.00 72.24 H new ATOM 0 HD3 PRO A 90 7.475 10.819 -2.026 1.00 72.24 H new ATOM 1457 N TYR A 91 9.060 15.213 -4.607 1.00 11.34 N ATOM 1458 CA TYR A 91 10.153 16.190 -4.863 1.00 71.30 C ATOM 1459 C TYR A 91 9.741 17.662 -4.586 1.00 34.11 C ATOM 1460 O TYR A 91 10.597 18.517 -4.340 1.00 50.41 O ATOM 1461 CB TYR A 91 10.640 16.029 -6.340 1.00 40.41 C ATOM 1462 CG TYR A 91 9.497 16.063 -7.379 1.00 51.41 C ATOM 1463 CD1 TYR A 91 8.973 17.271 -7.843 1.00 53.11 C ATOM 1464 CD2 TYR A 91 8.922 14.882 -7.861 1.00 51.04 C ATOM 1465 CE1 TYR A 91 7.927 17.305 -8.737 1.00 42.11 C ATOM 1466 CE2 TYR A 91 7.879 14.912 -8.762 1.00 13.43 C ATOM 1467 CZ TYR A 91 7.383 16.126 -9.199 1.00 24.03 C ATOM 1468 OH TYR A 91 6.343 16.161 -10.100 1.00 52.33 O ATOM 0 H TYR A 91 8.766 14.718 -5.449 1.00 11.34 H new ATOM 0 HA TYR A 91 10.961 15.969 -4.165 1.00 71.30 H new ATOM 0 HB2 TYR A 91 11.350 16.824 -6.568 1.00 40.41 H new ATOM 0 HB3 TYR A 91 11.177 15.085 -6.435 1.00 40.41 H new ATOM 0 HD1 TYR A 91 9.398 18.200 -7.492 1.00 53.11 H new ATOM 0 HD2 TYR A 91 9.302 13.930 -7.521 1.00 51.04 H new ATOM 0 HE1 TYR A 91 7.534 18.252 -9.075 1.00 42.11 H new ATOM 0 HE2 TYR A 91 7.451 13.990 -9.125 1.00 13.43 H new ATOM 0 HH TYR A 91 6.075 15.246 -10.326 1.00 52.33 H new ATOM 1478 N ASP A 92 8.426 17.943 -4.625 1.00 13.10 N ATOM 1479 CA ASP A 92 7.881 19.314 -4.503 1.00 71.14 C ATOM 1480 C ASP A 92 6.689 19.367 -3.512 1.00 44.25 C ATOM 1481 O ASP A 92 5.989 18.371 -3.298 1.00 72.24 O ATOM 1482 CB ASP A 92 7.458 19.843 -5.899 1.00 70.21 C ATOM 1483 CG ASP A 92 6.911 21.278 -5.865 1.00 25.31 C ATOM 1484 OD1 ASP A 92 7.641 22.185 -5.416 1.00 32.32 O ATOM 1485 OD2 ASP A 92 5.749 21.501 -6.250 1.00 65.10 O ATOM 0 H ASP A 92 7.708 17.228 -4.742 1.00 13.10 H new ATOM 0 HA ASP A 92 8.666 19.956 -4.103 1.00 71.14 H new ATOM 0 HB2 ASP A 92 8.316 19.805 -6.570 1.00 70.21 H new ATOM 0 HB3 ASP A 92 6.698 19.182 -6.315 1.00 70.21 H new ATOM 1490 N GLN A 93 6.475 20.562 -2.935 1.00 23.44 N ATOM 1491 CA GLN A 93 5.420 20.825 -1.931 1.00 24.23 C ATOM 1492 C GLN A 93 3.994 20.714 -2.524 1.00 73.21 C ATOM 1493 O GLN A 93 3.066 20.350 -1.807 1.00 13.11 O ATOM 1494 CB GLN A 93 5.644 22.229 -1.274 1.00 54.24 C ATOM 1495 CG GLN A 93 5.421 23.463 -2.210 1.00 73.14 C ATOM 1496 CD GLN A 93 4.090 24.227 -1.997 1.00 21.45 C ATOM 1497 OE1 GLN A 93 3.043 23.563 -1.517 1.00 65.44 O flip ATOM 1498 NE2 GLN A 93 4.006 25.424 -2.250 1.00 14.14 N flip ATOM 0 H GLN A 93 7.035 21.386 -3.153 1.00 23.44 H new ATOM 0 HA GLN A 93 5.498 20.053 -1.165 1.00 24.23 H new ATOM 0 HB2 GLN A 93 4.974 22.320 -0.419 1.00 54.24 H new ATOM 0 HB3 GLN A 93 6.662 22.270 -0.887 1.00 54.24 H new ATOM 0 HG2 GLN A 93 6.247 24.160 -2.067 1.00 73.14 H new ATOM 0 HG3 GLN A 93 5.464 23.125 -3.245 1.00 73.14 H new ATOM 0 HE21 GLN A 93 4.814 25.925 -2.618 1.00 14.14 H new ATOM 0 HE22 GLN A 93 3.128 25.918 -2.092 1.00 14.14 H new ATOM 1507 N ALA A 94 3.823 21.055 -3.822 1.00 25.23 N ATOM 1508 CA ALA A 94 2.507 20.980 -4.520 1.00 30.32 C ATOM 1509 C ALA A 94 2.090 19.516 -4.768 1.00 30.14 C ATOM 1510 O ALA A 94 0.897 19.194 -4.778 1.00 11.05 O ATOM 1511 CB ALA A 94 2.535 21.765 -5.842 1.00 60.11 C ATOM 0 H ALA A 94 4.583 21.388 -4.416 1.00 25.23 H new ATOM 0 HA ALA A 94 1.763 21.438 -3.868 1.00 30.32 H new ATOM 0 HB1 ALA A 94 1.562 21.693 -6.329 1.00 60.11 H new ATOM 0 HB2 ALA A 94 2.762 22.812 -5.639 1.00 60.11 H new ATOM 0 HB3 ALA A 94 3.300 21.348 -6.497 1.00 60.11 H new ATOM 1517 N GLU A 95 3.095 18.648 -5.001 1.00 52.34 N ATOM 1518 CA GLU A 95 2.911 17.176 -5.085 1.00 10.01 C ATOM 1519 C GLU A 95 2.322 16.620 -3.754 1.00 71.34 C ATOM 1520 O GLU A 95 1.412 15.785 -3.748 1.00 74.10 O ATOM 1521 CB GLU A 95 4.284 16.507 -5.403 1.00 74.33 C ATOM 1522 CG GLU A 95 4.287 14.964 -5.449 1.00 64.31 C ATOM 1523 CD GLU A 95 3.527 14.357 -6.647 1.00 13.45 C ATOM 1524 OE1 GLU A 95 4.113 14.283 -7.752 1.00 30.53 O ATOM 1525 OE2 GLU A 95 2.358 13.931 -6.485 1.00 1.21 O ATOM 0 H GLU A 95 4.062 18.944 -5.137 1.00 52.34 H new ATOM 0 HA GLU A 95 2.205 16.945 -5.883 1.00 10.01 H new ATOM 0 HB2 GLU A 95 4.634 16.881 -6.365 1.00 74.33 H new ATOM 0 HB3 GLU A 95 5.006 16.830 -4.653 1.00 74.33 H new ATOM 0 HG2 GLU A 95 5.320 14.616 -5.476 1.00 64.31 H new ATOM 0 HG3 GLU A 95 3.847 14.585 -4.526 1.00 64.31 H new ATOM 1532 N VAL A 96 2.841 17.146 -2.630 1.00 72.44 N ATOM 1533 CA VAL A 96 2.377 16.800 -1.265 1.00 31.53 C ATOM 1534 C VAL A 96 0.984 17.422 -0.976 1.00 30.32 C ATOM 1535 O VAL A 96 0.107 16.756 -0.437 1.00 2.45 O ATOM 1536 CB VAL A 96 3.418 17.295 -0.189 1.00 60.12 C ATOM 1537 CG1 VAL A 96 2.966 16.976 1.260 1.00 75.41 C ATOM 1538 CG2 VAL A 96 4.822 16.716 -0.483 1.00 64.30 C ATOM 0 H VAL A 96 3.599 17.828 -2.638 1.00 72.44 H new ATOM 0 HA VAL A 96 2.290 15.715 -1.205 1.00 31.53 H new ATOM 0 HB VAL A 96 3.471 18.381 -0.264 1.00 60.12 H new ATOM 0 HG11 VAL A 96 3.717 17.337 1.963 1.00 75.41 H new ATOM 0 HG12 VAL A 96 2.014 17.468 1.461 1.00 75.41 H new ATOM 0 HG13 VAL A 96 2.849 15.899 1.376 1.00 75.41 H new ATOM 0 HG21 VAL A 96 5.526 17.069 0.270 1.00 64.30 H new ATOM 0 HG22 VAL A 96 4.779 15.627 -0.458 1.00 64.30 H new ATOM 0 HG23 VAL A 96 5.151 17.043 -1.469 1.00 64.30 H new ATOM 1548 N ALA A 97 0.808 18.694 -1.378 1.00 35.01 N ATOM 1549 CA ALA A 97 -0.410 19.503 -1.107 1.00 21.44 C ATOM 1550 C ALA A 97 -1.656 18.962 -1.844 1.00 75.11 C ATOM 1551 O ALA A 97 -2.765 18.994 -1.305 1.00 60.13 O ATOM 1552 CB ALA A 97 -0.160 20.975 -1.491 1.00 64.34 C ATOM 0 H ALA A 97 1.515 19.203 -1.909 1.00 35.01 H new ATOM 0 HA ALA A 97 -0.616 19.432 -0.039 1.00 21.44 H new ATOM 0 HB1 ALA A 97 -1.057 21.561 -1.290 1.00 64.34 H new ATOM 0 HB2 ALA A 97 0.670 21.368 -0.904 1.00 64.34 H new ATOM 0 HB3 ALA A 97 0.084 21.038 -2.551 1.00 64.34 H new ATOM 1558 N ALA A 98 -1.458 18.478 -3.085 1.00 54.35 N ATOM 1559 CA ALA A 98 -2.530 17.851 -3.894 1.00 63.20 C ATOM 1560 C ALA A 98 -3.067 16.566 -3.223 1.00 41.13 C ATOM 1561 O ALA A 98 -4.279 16.321 -3.172 1.00 35.43 O ATOM 1562 CB ALA A 98 -2.005 17.542 -5.306 1.00 44.22 C ATOM 0 H ALA A 98 -0.554 18.509 -3.557 1.00 54.35 H new ATOM 0 HA ALA A 98 -3.359 18.555 -3.965 1.00 63.20 H new ATOM 0 HB1 ALA A 98 -2.797 17.081 -5.896 1.00 44.22 H new ATOM 0 HB2 ALA A 98 -1.686 18.467 -5.786 1.00 44.22 H new ATOM 0 HB3 ALA A 98 -1.159 16.858 -5.238 1.00 44.22 H new ATOM 1568 N HIS A 99 -2.134 15.760 -2.694 1.00 25.03 N ATOM 1569 CA HIS A 99 -2.446 14.509 -1.976 1.00 14.55 C ATOM 1570 C HIS A 99 -3.015 14.769 -0.567 1.00 55.31 C ATOM 1571 O HIS A 99 -3.883 14.034 -0.112 1.00 12.31 O ATOM 1572 CB HIS A 99 -1.179 13.618 -1.927 1.00 62.21 C ATOM 1573 CG HIS A 99 -0.947 12.889 -3.216 1.00 54.40 C ATOM 1574 ND1 HIS A 99 -1.369 11.599 -3.412 1.00 61.15 N ATOM 1575 CD2 HIS A 99 -0.390 13.280 -4.385 1.00 45.22 C ATOM 1576 CE1 HIS A 99 -1.094 11.227 -4.632 1.00 2.13 C ATOM 1577 NE2 HIS A 99 -0.492 12.224 -5.256 1.00 65.10 N ATOM 0 H HIS A 99 -1.135 15.957 -2.751 1.00 25.03 H new ATOM 0 HA HIS A 99 -3.230 13.984 -2.522 1.00 14.55 H new ATOM 0 HB2 HIS A 99 -0.311 14.237 -1.701 1.00 62.21 H new ATOM 0 HB3 HIS A 99 -1.276 12.896 -1.116 1.00 62.21 H new ATOM 0 HD1 HIS A 99 -1.828 11.018 -2.710 1.00 61.15 H new ATOM 0 HD2 HIS A 99 0.052 14.243 -4.594 1.00 45.22 H new ATOM 0 HE1 HIS A 99 -1.321 10.262 -5.061 1.00 2.13 H new ATOM 1586 N ALA A 100 -2.528 15.821 0.101 1.00 45.32 N ATOM 1587 CA ALA A 100 -3.031 16.256 1.421 1.00 41.14 C ATOM 1588 C ALA A 100 -4.479 16.794 1.327 1.00 24.41 C ATOM 1589 O ALA A 100 -5.309 16.518 2.195 1.00 44.42 O ATOM 1590 CB ALA A 100 -2.093 17.313 2.019 1.00 11.02 C ATOM 0 H ALA A 100 -1.769 16.402 -0.256 1.00 45.32 H new ATOM 0 HA ALA A 100 -3.050 15.388 2.080 1.00 41.14 H new ATOM 0 HB1 ALA A 100 -2.472 17.627 2.991 1.00 11.02 H new ATOM 0 HB2 ALA A 100 -1.096 16.889 2.138 1.00 11.02 H new ATOM 0 HB3 ALA A 100 -2.044 18.174 1.353 1.00 11.02 H new ATOM 1596 N ALA A 101 -4.766 17.540 0.250 1.00 60.31 N ATOM 1597 CA ALA A 101 -6.116 18.085 -0.022 1.00 31.11 C ATOM 1598 C ALA A 101 -7.140 16.952 -0.263 1.00 64.23 C ATOM 1599 O ALA A 101 -8.240 16.970 0.289 1.00 31.52 O ATOM 1600 CB ALA A 101 -6.071 19.034 -1.228 1.00 0.24 C ATOM 0 H ALA A 101 -4.075 17.785 -0.459 1.00 60.31 H new ATOM 0 HA ALA A 101 -6.439 18.644 0.856 1.00 31.11 H new ATOM 0 HB1 ALA A 101 -7.069 19.428 -1.418 1.00 0.24 H new ATOM 0 HB2 ALA A 101 -5.389 19.858 -1.017 1.00 0.24 H new ATOM 0 HB3 ALA A 101 -5.722 18.490 -2.106 1.00 0.24 H new ATOM 1606 N THR A 102 -6.730 15.955 -1.074 1.00 32.32 N ATOM 1607 CA THR A 102 -7.540 14.741 -1.366 1.00 34.05 C ATOM 1608 C THR A 102 -7.756 13.894 -0.083 1.00 23.11 C ATOM 1609 O THR A 102 -8.860 13.397 0.171 1.00 72.10 O ATOM 1610 CB THR A 102 -6.854 13.860 -2.479 1.00 61.23 C ATOM 1611 OG1 THR A 102 -6.737 14.624 -3.695 1.00 35.41 O ATOM 1612 CG2 THR A 102 -7.622 12.554 -2.785 1.00 32.23 C ATOM 0 H THR A 102 -5.827 15.963 -1.549 1.00 32.32 H new ATOM 0 HA THR A 102 -8.511 15.075 -1.732 1.00 34.05 H new ATOM 0 HB THR A 102 -5.874 13.579 -2.092 1.00 61.23 H new ATOM 0 HG1 THR A 102 -5.970 15.231 -3.628 1.00 35.41 H new ATOM 0 HG21 THR A 102 -7.096 11.995 -3.559 1.00 32.23 H new ATOM 0 HG22 THR A 102 -7.685 11.949 -1.881 1.00 32.23 H new ATOM 0 HG23 THR A 102 -8.627 12.795 -3.131 1.00 32.23 H new ATOM 1620 N TYR A 103 -6.681 13.752 0.709 1.00 75.31 N ATOM 1621 CA TYR A 103 -6.672 13.053 2.017 1.00 13.44 C ATOM 1622 C TYR A 103 -7.725 13.636 3.003 1.00 33.30 C ATOM 1623 O TYR A 103 -8.498 12.899 3.605 1.00 73.31 O ATOM 1624 CB TYR A 103 -5.235 13.179 2.603 1.00 24.25 C ATOM 1625 CG TYR A 103 -4.957 12.421 3.907 1.00 65.13 C ATOM 1626 CD1 TYR A 103 -4.485 11.106 3.885 1.00 41.43 C ATOM 1627 CD2 TYR A 103 -5.147 13.024 5.156 1.00 74.34 C ATOM 1628 CE1 TYR A 103 -4.218 10.423 5.054 1.00 32.45 C ATOM 1629 CE2 TYR A 103 -4.883 12.341 6.327 1.00 4.00 C ATOM 1630 CZ TYR A 103 -4.420 11.043 6.269 1.00 13.41 C ATOM 1631 OH TYR A 103 -4.167 10.359 7.435 1.00 14.34 O ATOM 0 H TYR A 103 -5.767 14.128 0.456 1.00 75.31 H new ATOM 0 HA TYR A 103 -6.943 12.007 1.872 1.00 13.44 H new ATOM 0 HB2 TYR A 103 -4.528 12.832 1.850 1.00 24.25 H new ATOM 0 HB3 TYR A 103 -5.027 14.236 2.772 1.00 24.25 H new ATOM 0 HD1 TYR A 103 -4.326 10.615 2.936 1.00 41.43 H new ATOM 0 HD2 TYR A 103 -5.506 14.041 5.205 1.00 74.34 H new ATOM 0 HE1 TYR A 103 -3.852 9.407 5.017 1.00 32.45 H new ATOM 0 HE2 TYR A 103 -5.038 12.820 7.282 1.00 4.00 H new ATOM 0 HH TYR A 103 -3.540 10.872 7.986 1.00 14.34 H new ATOM 1641 N HIS A 104 -7.729 14.965 3.174 1.00 2.25 N ATOM 1642 CA HIS A 104 -8.632 15.648 4.134 1.00 13.04 C ATOM 1643 C HIS A 104 -10.095 15.775 3.624 1.00 74.42 C ATOM 1644 O HIS A 104 -11.035 15.696 4.424 1.00 3.12 O ATOM 1645 CB HIS A 104 -8.053 17.028 4.532 1.00 53.44 C ATOM 1646 CG HIS A 104 -6.799 16.927 5.366 1.00 74.45 C ATOM 1647 ND1 HIS A 104 -6.800 16.384 6.633 1.00 4.10 N ATOM 1648 CD2 HIS A 104 -5.514 17.273 5.120 1.00 25.21 C ATOM 1649 CE1 HIS A 104 -5.582 16.402 7.124 1.00 62.50 C ATOM 1650 NE2 HIS A 104 -4.781 16.933 6.228 1.00 71.10 N ATOM 0 H HIS A 104 -7.116 15.599 2.661 1.00 2.25 H new ATOM 0 HA HIS A 104 -8.683 15.015 5.020 1.00 13.04 H new ATOM 0 HB2 HIS A 104 -7.836 17.598 3.629 1.00 53.44 H new ATOM 0 HB3 HIS A 104 -8.807 17.585 5.087 1.00 53.44 H new ATOM 0 HD2 HIS A 104 -5.136 17.732 4.218 1.00 25.21 H new ATOM 0 HE1 HIS A 104 -5.289 16.041 8.099 1.00 62.50 H new ATOM 0 HE2 HIS A 104 -3.776 17.070 6.339 1.00 71.10 H new ATOM 1659 N SER A 105 -10.289 15.980 2.306 1.00 62.35 N ATOM 1660 CA SER A 105 -11.647 16.232 1.737 1.00 24.31 C ATOM 1661 C SER A 105 -12.426 14.922 1.445 1.00 23.41 C ATOM 1662 O SER A 105 -13.641 14.861 1.656 1.00 44.12 O ATOM 1663 CB SER A 105 -11.545 17.075 0.441 1.00 50.01 C ATOM 1664 OG SER A 105 -10.789 16.403 -0.558 1.00 74.12 O ATOM 0 H SER A 105 -9.539 15.978 1.615 1.00 62.35 H new ATOM 0 HA SER A 105 -12.204 16.784 2.495 1.00 24.31 H new ATOM 0 HB2 SER A 105 -12.545 17.285 0.062 1.00 50.01 H new ATOM 0 HB3 SER A 105 -11.081 18.035 0.666 1.00 50.01 H new ATOM 0 HG SER A 105 -9.833 16.536 -0.390 1.00 74.12 H new ATOM 1670 N HIS A 106 -11.720 13.874 0.973 1.00 4.52 N ATOM 1671 CA HIS A 106 -12.351 12.569 0.616 1.00 41.42 C ATOM 1672 C HIS A 106 -12.113 11.465 1.677 1.00 14.30 C ATOM 1673 O HIS A 106 -12.798 10.442 1.662 1.00 71.02 O ATOM 1674 CB HIS A 106 -11.805 12.080 -0.746 1.00 72.22 C ATOM 1675 CG HIS A 106 -12.025 13.018 -1.903 1.00 53.32 C ATOM 1676 ND1 HIS A 106 -13.166 13.003 -2.674 1.00 22.33 N ATOM 1677 CD2 HIS A 106 -11.230 13.974 -2.442 1.00 71.21 C ATOM 1678 CE1 HIS A 106 -13.066 13.901 -3.630 1.00 3.35 C ATOM 1679 NE2 HIS A 106 -11.904 14.501 -3.510 1.00 21.14 N ATOM 0 H HIS A 106 -10.711 13.898 0.827 1.00 4.52 H new ATOM 0 HA HIS A 106 -13.425 12.748 0.566 1.00 41.42 H new ATOM 0 HB2 HIS A 106 -10.735 11.898 -0.646 1.00 72.22 H new ATOM 0 HB3 HIS A 106 -12.270 11.123 -0.982 1.00 72.22 H new ATOM 0 HD2 HIS A 106 -10.250 14.265 -2.094 1.00 71.21 H new ATOM 0 HE1 HIS A 106 -13.811 14.109 -4.384 1.00 3.35 H new ATOM 0 HE2 HIS A 106 -11.558 15.244 -4.118 1.00 21.14 H new ATOM 1688 N GLY A 107 -11.148 11.677 2.581 1.00 32.11 N ATOM 1689 CA GLY A 107 -10.787 10.669 3.604 1.00 35.02 C ATOM 1690 C GLY A 107 -9.417 10.016 3.356 1.00 23.25 C ATOM 1691 O GLY A 107 -8.897 10.070 2.236 1.00 74.14 O ATOM 0 H GLY A 107 -10.599 12.535 2.630 1.00 32.11 H new ATOM 0 HA2 GLY A 107 -10.784 11.143 4.586 1.00 35.02 H new ATOM 0 HA3 GLY A 107 -11.553 9.894 3.627 1.00 35.02 H new ATOM 1695 N TYR A 108 -8.847 9.397 4.416 1.00 25.24 N ATOM 1696 CA TYR A 108 -7.485 8.789 4.391 1.00 60.20 C ATOM 1697 C TYR A 108 -7.316 7.758 3.243 1.00 31.34 C ATOM 1698 O TYR A 108 -6.274 7.700 2.583 1.00 31.22 O ATOM 1699 CB TYR A 108 -7.164 8.130 5.772 1.00 2.03 C ATOM 1700 CG TYR A 108 -7.893 6.796 6.050 1.00 35.32 C ATOM 1701 CD1 TYR A 108 -9.264 6.755 6.320 1.00 73.24 C ATOM 1702 CD2 TYR A 108 -7.206 5.575 6.019 1.00 12.35 C ATOM 1703 CE1 TYR A 108 -9.917 5.555 6.536 1.00 31.31 C ATOM 1704 CE2 TYR A 108 -7.855 4.378 6.241 1.00 15.41 C ATOM 1705 CZ TYR A 108 -9.208 4.372 6.500 1.00 44.11 C ATOM 1706 OH TYR A 108 -9.861 3.174 6.706 1.00 41.00 O ATOM 0 H TYR A 108 -9.315 9.302 5.317 1.00 25.24 H new ATOM 0 HA TYR A 108 -6.775 9.593 4.201 1.00 60.20 H new ATOM 0 HB2 TYR A 108 -6.089 7.958 5.833 1.00 2.03 H new ATOM 0 HB3 TYR A 108 -7.419 8.837 6.562 1.00 2.03 H new ATOM 0 HD1 TYR A 108 -9.824 7.678 6.361 1.00 73.24 H new ATOM 0 HD2 TYR A 108 -6.145 5.571 5.817 1.00 12.35 H new ATOM 0 HE1 TYR A 108 -10.979 5.544 6.732 1.00 31.31 H new ATOM 0 HE2 TYR A 108 -7.304 3.449 6.212 1.00 15.41 H new ATOM 0 HH TYR A 108 -9.218 2.437 6.647 1.00 41.00 H new ATOM 1716 N ASP A 109 -8.382 6.970 3.030 1.00 55.01 N ATOM 1717 CA ASP A 109 -8.436 5.889 2.032 1.00 64.20 C ATOM 1718 C ASP A 109 -8.202 6.401 0.595 1.00 51.33 C ATOM 1719 O ASP A 109 -7.493 5.764 -0.170 1.00 73.53 O ATOM 1720 CB ASP A 109 -9.791 5.147 2.146 1.00 22.45 C ATOM 1721 CG ASP A 109 -11.000 6.088 2.008 1.00 63.43 C ATOM 1722 OD1 ASP A 109 -11.339 6.782 3.000 1.00 3.14 O ATOM 1723 OD2 ASP A 109 -11.590 6.166 0.912 1.00 32.03 O ATOM 0 H ASP A 109 -9.249 7.069 3.558 1.00 55.01 H new ATOM 0 HA ASP A 109 -7.624 5.194 2.245 1.00 64.20 H new ATOM 0 HB2 ASP A 109 -9.845 4.378 1.375 1.00 22.45 H new ATOM 0 HB3 ASP A 109 -9.841 4.637 3.108 1.00 22.45 H new ATOM 1728 N ALA A 110 -8.771 7.578 0.271 1.00 43.21 N ATOM 1729 CA ALA A 110 -8.705 8.176 -1.089 1.00 31.11 C ATOM 1730 C ALA A 110 -7.257 8.360 -1.612 1.00 22.10 C ATOM 1731 O ALA A 110 -6.996 8.186 -2.803 1.00 13.04 O ATOM 1732 CB ALA A 110 -9.423 9.526 -1.094 1.00 62.33 C ATOM 0 H ALA A 110 -9.291 8.146 0.940 1.00 43.21 H new ATOM 0 HA ALA A 110 -9.197 7.473 -1.762 1.00 31.11 H new ATOM 0 HB1 ALA A 110 -9.373 9.961 -2.092 1.00 62.33 H new ATOM 0 HB2 ALA A 110 -10.466 9.384 -0.812 1.00 62.33 H new ATOM 0 HB3 ALA A 110 -8.943 10.196 -0.381 1.00 62.33 H new ATOM 1738 N ASP A 111 -6.338 8.725 -0.696 1.00 12.03 N ATOM 1739 CA ASP A 111 -4.899 8.917 -1.006 1.00 72.13 C ATOM 1740 C ASP A 111 -4.220 7.577 -1.428 1.00 32.30 C ATOM 1741 O ASP A 111 -3.473 7.519 -2.418 1.00 12.11 O ATOM 1742 CB ASP A 111 -4.186 9.531 0.232 1.00 53.01 C ATOM 1743 CG ASP A 111 -2.711 9.876 -0.036 1.00 63.51 C ATOM 1744 OD1 ASP A 111 -2.455 10.883 -0.724 1.00 62.33 O ATOM 1745 OD2 ASP A 111 -1.812 9.135 0.413 1.00 33.54 O ATOM 0 H ASP A 111 -6.569 8.896 0.283 1.00 12.03 H new ATOM 0 HA ASP A 111 -4.812 9.600 -1.851 1.00 72.13 H new ATOM 0 HB2 ASP A 111 -4.715 10.433 0.539 1.00 53.01 H new ATOM 0 HB3 ASP A 111 -4.244 8.829 1.064 1.00 53.01 H new ATOM 1750 N ILE A 112 -4.512 6.508 -0.661 1.00 62.02 N ATOM 1751 CA ILE A 112 -3.977 5.142 -0.899 1.00 33.11 C ATOM 1752 C ILE A 112 -4.578 4.529 -2.197 1.00 72.35 C ATOM 1753 O ILE A 112 -3.850 4.013 -3.061 1.00 25.13 O ATOM 1754 CB ILE A 112 -4.247 4.192 0.355 1.00 12.15 C ATOM 1755 CG1 ILE A 112 -3.320 4.558 1.580 1.00 71.41 C ATOM 1756 CG2 ILE A 112 -4.099 2.690 -0.006 1.00 25.22 C ATOM 1757 CD1 ILE A 112 -3.604 5.890 2.263 1.00 35.14 C ATOM 0 H ILE A 112 -5.130 6.563 0.149 1.00 62.02 H new ATOM 0 HA ILE A 112 -2.898 5.224 -1.031 1.00 33.11 H new ATOM 0 HB ILE A 112 -5.282 4.363 0.650 1.00 12.15 H new ATOM 0 HG12 ILE A 112 -3.406 3.766 2.324 1.00 71.41 H new ATOM 0 HG13 ILE A 112 -2.285 4.562 1.238 1.00 71.41 H new ATOM 0 HG21 ILE A 112 -4.292 2.083 0.878 1.00 25.22 H new ATOM 0 HG22 ILE A 112 -4.814 2.431 -0.787 1.00 25.22 H new ATOM 0 HG23 ILE A 112 -3.087 2.500 -0.363 1.00 25.22 H new ATOM 0 HD11 ILE A 112 -2.906 6.032 3.088 1.00 35.14 H new ATOM 0 HD12 ILE A 112 -3.486 6.700 1.544 1.00 35.14 H new ATOM 0 HD13 ILE A 112 -4.624 5.892 2.647 1.00 35.14 H new ATOM 1769 N ASN A 113 -5.917 4.626 -2.326 1.00 35.52 N ATOM 1770 CA ASN A 113 -6.680 4.103 -3.487 1.00 13.12 C ATOM 1771 C ASN A 113 -6.276 4.822 -4.792 1.00 53.20 C ATOM 1772 O ASN A 113 -6.304 4.220 -5.858 1.00 53.44 O ATOM 1773 CB ASN A 113 -8.213 4.261 -3.263 1.00 74.40 C ATOM 1774 CG ASN A 113 -8.726 3.601 -1.977 1.00 54.21 C ATOM 1775 OD1 ASN A 113 -8.147 2.651 -1.465 1.00 42.31 O ATOM 1776 ND2 ASN A 113 -9.832 4.096 -1.451 1.00 54.11 N ATOM 0 H ASN A 113 -6.507 5.072 -1.624 1.00 35.52 H new ATOM 0 HA ASN A 113 -6.440 3.044 -3.580 1.00 13.12 H new ATOM 0 HB2 ASN A 113 -8.459 5.323 -3.237 1.00 74.40 H new ATOM 0 HB3 ASN A 113 -8.741 3.832 -4.115 1.00 74.40 H new ATOM 0 HD21 ASN A 113 -10.220 3.686 -0.601 1.00 54.11 H new ATOM 0 HD22 ASN A 113 -10.298 4.888 -1.894 1.00 54.11 H new ATOM 1783 N SER A 114 -5.893 6.114 -4.679 1.00 53.21 N ATOM 1784 CA SER A 114 -5.433 6.939 -5.829 1.00 74.40 C ATOM 1785 C SER A 114 -4.260 6.271 -6.581 1.00 4.12 C ATOM 1786 O SER A 114 -4.311 6.105 -7.800 1.00 15.23 O ATOM 1787 CB SER A 114 -5.002 8.349 -5.342 1.00 40.31 C ATOM 1788 OG SER A 114 -4.543 9.173 -6.411 1.00 24.40 O ATOM 0 H SER A 114 -5.893 6.617 -3.792 1.00 53.21 H new ATOM 0 HA SER A 114 -6.271 7.030 -6.520 1.00 74.40 H new ATOM 0 HB2 SER A 114 -5.844 8.834 -4.848 1.00 40.31 H new ATOM 0 HB3 SER A 114 -4.211 8.248 -4.598 1.00 40.31 H new ATOM 0 HG SER A 114 -4.284 10.050 -6.060 1.00 24.40 H new ATOM 1794 N TYR A 115 -3.213 5.881 -5.832 1.00 60.12 N ATOM 1795 CA TYR A 115 -1.983 5.292 -6.410 1.00 54.22 C ATOM 1796 C TYR A 115 -2.104 3.788 -6.746 1.00 72.11 C ATOM 1797 O TYR A 115 -1.533 3.334 -7.740 1.00 3.24 O ATOM 1798 CB TYR A 115 -0.749 5.597 -5.503 1.00 30.13 C ATOM 1799 CG TYR A 115 -0.089 6.969 -5.767 1.00 45.52 C ATOM 1800 CD1 TYR A 115 -0.360 7.694 -6.939 1.00 72.33 C ATOM 1801 CD2 TYR A 115 0.843 7.512 -4.878 1.00 14.34 C ATOM 1802 CE1 TYR A 115 0.252 8.896 -7.199 1.00 60.12 C ATOM 1803 CE2 TYR A 115 1.460 8.720 -5.146 1.00 22.34 C ATOM 1804 CZ TYR A 115 1.162 9.403 -6.310 1.00 64.41 C ATOM 1805 OH TYR A 115 1.755 10.618 -6.580 1.00 32.53 O ATOM 0 H TYR A 115 -3.191 5.963 -4.816 1.00 60.12 H new ATOM 0 HA TYR A 115 -1.832 5.778 -7.374 1.00 54.22 H new ATOM 0 HB2 TYR A 115 -1.060 5.551 -4.459 1.00 30.13 H new ATOM 0 HB3 TYR A 115 -0.004 4.815 -5.648 1.00 30.13 H new ATOM 0 HD1 TYR A 115 -1.066 7.297 -7.653 1.00 72.33 H new ATOM 0 HD2 TYR A 115 1.084 6.981 -3.969 1.00 14.34 H new ATOM 0 HE1 TYR A 115 0.016 9.440 -8.102 1.00 60.12 H new ATOM 0 HE2 TYR A 115 2.174 9.129 -4.447 1.00 22.34 H new ATOM 0 HH TYR A 115 2.303 10.892 -5.815 1.00 32.53 H new ATOM 1815 N ILE A 116 -2.840 3.022 -5.934 1.00 72.04 N ATOM 1816 CA ILE A 116 -2.982 1.556 -6.134 1.00 53.31 C ATOM 1817 C ILE A 116 -3.965 1.209 -7.289 1.00 50.14 C ATOM 1818 O ILE A 116 -3.748 0.245 -8.040 1.00 65.12 O ATOM 1819 CB ILE A 116 -3.373 0.869 -4.777 1.00 21.40 C ATOM 1820 CG1 ILE A 116 -2.186 1.043 -3.773 1.00 13.04 C ATOM 1821 CG2 ILE A 116 -3.757 -0.620 -4.951 1.00 61.30 C ATOM 1822 CD1 ILE A 116 -2.389 0.424 -2.414 1.00 13.13 C ATOM 0 H ILE A 116 -3.351 3.383 -5.128 1.00 72.04 H new ATOM 0 HA ILE A 116 -2.018 1.156 -6.449 1.00 53.31 H new ATOM 0 HB ILE A 116 -4.266 1.355 -4.384 1.00 21.40 H new ATOM 0 HG12 ILE A 116 -1.290 0.612 -4.219 1.00 13.04 H new ATOM 0 HG13 ILE A 116 -1.996 2.108 -3.643 1.00 13.04 H new ATOM 0 HG21 ILE A 116 -4.018 -1.044 -3.981 1.00 61.30 H new ATOM 0 HG22 ILE A 116 -4.611 -0.699 -5.624 1.00 61.30 H new ATOM 0 HG23 ILE A 116 -2.913 -1.167 -5.371 1.00 61.30 H new ATOM 0 HD11 ILE A 116 -1.508 0.603 -1.798 1.00 13.13 H new ATOM 0 HD12 ILE A 116 -3.262 0.870 -1.938 1.00 13.13 H new ATOM 0 HD13 ILE A 116 -2.544 -0.649 -2.523 1.00 13.13 H new ATOM 1834 N ASP A 117 -5.018 2.021 -7.444 1.00 70.41 N ATOM 1835 CA ASP A 117 -5.969 1.905 -8.580 1.00 11.42 C ATOM 1836 C ASP A 117 -5.403 2.595 -9.861 1.00 30.25 C ATOM 1837 O ASP A 117 -5.918 2.385 -10.972 1.00 3.41 O ATOM 1838 CB ASP A 117 -7.331 2.519 -8.164 1.00 12.33 C ATOM 1839 CG ASP A 117 -8.419 2.445 -9.247 1.00 73.30 C ATOM 1840 OD1 ASP A 117 -8.901 1.331 -9.532 1.00 14.45 O ATOM 1841 OD2 ASP A 117 -8.790 3.494 -9.819 1.00 13.53 O ATOM 0 H ASP A 117 -5.243 2.775 -6.795 1.00 70.41 H new ATOM 0 HA ASP A 117 -6.112 0.852 -8.824 1.00 11.42 H new ATOM 0 HB2 ASP A 117 -7.689 2.006 -7.271 1.00 12.33 H new ATOM 0 HB3 ASP A 117 -7.177 3.563 -7.892 1.00 12.33 H new ATOM 1846 N SER A 118 -4.311 3.378 -9.702 1.00 3.21 N ATOM 1847 CA SER A 118 -3.698 4.164 -10.806 1.00 63.24 C ATOM 1848 C SER A 118 -3.120 3.261 -11.912 1.00 71.52 C ATOM 1849 O SER A 118 -2.662 2.141 -11.647 1.00 41.11 O ATOM 1850 CB SER A 118 -2.568 5.082 -10.273 1.00 70.22 C ATOM 1851 OG SER A 118 -1.988 5.864 -11.307 1.00 20.32 O ATOM 0 H SER A 118 -3.829 3.485 -8.809 1.00 3.21 H new ATOM 0 HA SER A 118 -4.499 4.769 -11.232 1.00 63.24 H new ATOM 0 HB2 SER A 118 -2.968 5.740 -9.502 1.00 70.22 H new ATOM 0 HB3 SER A 118 -1.796 4.472 -9.803 1.00 70.22 H new ATOM 0 HG SER A 118 -1.282 6.430 -10.932 1.00 20.32 H new ATOM 1857 N ALA A 119 -3.124 3.789 -13.148 1.00 14.24 N ATOM 1858 CA ALA A 119 -2.533 3.120 -14.326 1.00 33.51 C ATOM 1859 C ALA A 119 -1.002 2.938 -14.155 1.00 61.31 C ATOM 1860 O ALA A 119 -0.415 1.998 -14.694 1.00 50.33 O ATOM 1861 CB ALA A 119 -2.844 3.935 -15.593 1.00 34.21 C ATOM 0 H ALA A 119 -3.539 4.696 -13.362 1.00 14.24 H new ATOM 0 HA ALA A 119 -2.974 2.128 -14.422 1.00 33.51 H new ATOM 0 HB1 ALA A 119 -2.407 3.440 -16.460 1.00 34.21 H new ATOM 0 HB2 ALA A 119 -3.924 4.008 -15.722 1.00 34.21 H new ATOM 0 HB3 ALA A 119 -2.422 4.935 -15.495 1.00 34.21 H new ATOM 1867 N GLU A 120 -0.379 3.852 -13.379 1.00 12.12 N ATOM 1868 CA GLU A 120 1.067 3.815 -13.060 1.00 34.25 C ATOM 1869 C GLU A 120 1.453 2.519 -12.301 1.00 5.12 C ATOM 1870 O GLU A 120 2.395 1.835 -12.679 1.00 72.53 O ATOM 1871 CB GLU A 120 1.452 5.069 -12.220 1.00 30.21 C ATOM 1872 CG GLU A 120 2.963 5.216 -11.919 1.00 20.55 C ATOM 1873 CD GLU A 120 3.330 6.522 -11.180 1.00 73.21 C ATOM 1874 OE1 GLU A 120 2.918 7.611 -11.638 1.00 40.12 O ATOM 1875 OE2 GLU A 120 4.046 6.473 -10.159 1.00 72.05 O ATOM 0 H GLU A 120 -0.867 4.640 -12.954 1.00 12.12 H new ATOM 0 HA GLU A 120 1.621 3.822 -13.999 1.00 34.25 H new ATOM 0 HB2 GLU A 120 1.114 5.960 -12.749 1.00 30.21 H new ATOM 0 HB3 GLU A 120 0.910 5.035 -11.275 1.00 30.21 H new ATOM 0 HG2 GLU A 120 3.288 4.367 -11.318 1.00 20.55 H new ATOM 0 HG3 GLU A 120 3.516 5.173 -12.857 1.00 20.55 H new ATOM 1882 N TYR A 121 0.692 2.175 -11.253 1.00 11.13 N ATOM 1883 CA TYR A 121 0.959 0.971 -10.430 1.00 60.11 C ATOM 1884 C TYR A 121 0.532 -0.328 -11.159 1.00 5.14 C ATOM 1885 O TYR A 121 1.311 -1.280 -11.270 1.00 45.45 O ATOM 1886 CB TYR A 121 0.228 1.103 -9.074 1.00 74.00 C ATOM 1887 CG TYR A 121 0.464 -0.050 -8.084 1.00 62.44 C ATOM 1888 CD1 TYR A 121 1.752 -0.408 -7.675 1.00 63.54 C ATOM 1889 CD2 TYR A 121 -0.601 -0.775 -7.554 1.00 75.22 C ATOM 1890 CE1 TYR A 121 1.955 -1.444 -6.779 1.00 14.34 C ATOM 1891 CE2 TYR A 121 -0.399 -1.800 -6.660 1.00 45.43 C ATOM 1892 CZ TYR A 121 0.874 -2.136 -6.276 1.00 34.15 C ATOM 1893 OH TYR A 121 1.061 -3.173 -5.393 1.00 62.31 O ATOM 0 H TYR A 121 -0.120 2.712 -10.948 1.00 11.13 H new ATOM 0 HA TYR A 121 2.033 0.903 -10.258 1.00 60.11 H new ATOM 0 HB2 TYR A 121 0.539 2.035 -8.602 1.00 74.00 H new ATOM 0 HB3 TYR A 121 -0.842 1.184 -9.264 1.00 74.00 H new ATOM 0 HD1 TYR A 121 2.602 0.132 -8.064 1.00 63.54 H new ATOM 0 HD2 TYR A 121 -1.609 -0.526 -7.852 1.00 75.22 H new ATOM 0 HE1 TYR A 121 2.957 -1.709 -6.475 1.00 14.34 H new ATOM 0 HE2 TYR A 121 -1.244 -2.341 -6.260 1.00 45.43 H new ATOM 0 HH TYR A 121 0.192 -3.548 -5.140 1.00 62.31 H new ATOM 1903 N THR A 122 -0.704 -0.322 -11.681 1.00 72.34 N ATOM 1904 CA THR A 122 -1.356 -1.519 -12.273 1.00 52.13 C ATOM 1905 C THR A 122 -0.654 -2.015 -13.569 1.00 74.22 C ATOM 1906 O THR A 122 -0.686 -3.207 -13.883 1.00 31.23 O ATOM 1907 CB THR A 122 -2.867 -1.214 -12.572 1.00 50.04 C ATOM 1908 OG1 THR A 122 -3.484 -0.671 -11.390 1.00 10.41 O ATOM 1909 CG2 THR A 122 -3.657 -2.463 -13.021 1.00 0.52 C ATOM 0 H THR A 122 -1.289 0.513 -11.708 1.00 72.34 H new ATOM 0 HA THR A 122 -1.271 -2.319 -11.538 1.00 52.13 H new ATOM 0 HB THR A 122 -2.892 -0.500 -13.395 1.00 50.04 H new ATOM 0 HG1 THR A 122 -3.306 0.292 -11.341 1.00 10.41 H new ATOM 0 HG21 THR A 122 -4.694 -2.188 -13.213 1.00 0.52 H new ATOM 0 HG22 THR A 122 -3.214 -2.866 -13.932 1.00 0.52 H new ATOM 0 HG23 THR A 122 -3.621 -3.218 -12.236 1.00 0.52 H new ATOM 1917 N GLU A 123 -0.028 -1.093 -14.326 1.00 14.34 N ATOM 1918 CA GLU A 123 0.642 -1.437 -15.615 1.00 63.54 C ATOM 1919 C GLU A 123 2.188 -1.525 -15.493 1.00 70.11 C ATOM 1920 O GLU A 123 2.806 -2.350 -16.176 1.00 64.51 O ATOM 1921 CB GLU A 123 0.229 -0.430 -16.722 1.00 3.32 C ATOM 1922 CG GLU A 123 -1.295 -0.367 -16.962 1.00 53.33 C ATOM 1923 CD GLU A 123 -1.693 0.537 -18.141 1.00 62.01 C ATOM 1924 OE1 GLU A 123 -1.637 1.777 -17.993 1.00 31.13 O ATOM 1925 OE2 GLU A 123 -2.075 0.017 -19.219 1.00 75.14 O ATOM 0 H GLU A 123 0.033 -0.106 -14.077 1.00 14.34 H new ATOM 0 HA GLU A 123 0.302 -2.435 -15.893 1.00 63.54 H new ATOM 0 HB2 GLU A 123 0.587 0.563 -16.450 1.00 3.32 H new ATOM 0 HB3 GLU A 123 0.724 -0.704 -17.654 1.00 3.32 H new ATOM 0 HG2 GLU A 123 -1.668 -1.375 -17.145 1.00 53.33 H new ATOM 0 HG3 GLU A 123 -1.783 -0.006 -16.057 1.00 53.33 H new ATOM 1932 N SER A 124 2.818 -0.684 -14.642 1.00 11.10 N ATOM 1933 CA SER A 124 4.307 -0.703 -14.475 1.00 41.02 C ATOM 1934 C SER A 124 4.769 -1.788 -13.470 1.00 41.54 C ATOM 1935 O SER A 124 5.827 -2.398 -13.655 1.00 21.10 O ATOM 1936 CB SER A 124 4.829 0.677 -14.015 1.00 43.02 C ATOM 1937 OG SER A 124 6.230 0.672 -13.781 1.00 44.33 O ATOM 0 H SER A 124 2.338 0.008 -14.066 1.00 11.10 H new ATOM 0 HA SER A 124 4.726 -0.943 -15.452 1.00 41.02 H new ATOM 0 HB2 SER A 124 4.592 1.424 -14.773 1.00 43.02 H new ATOM 0 HB3 SER A 124 4.311 0.973 -13.103 1.00 43.02 H new ATOM 0 HG SER A 124 6.517 1.564 -13.494 1.00 44.33 H new ATOM 1943 N PHE A 125 3.971 -2.024 -12.406 1.00 72.04 N ATOM 1944 CA PHE A 125 4.259 -3.075 -11.388 1.00 53.21 C ATOM 1945 C PHE A 125 3.314 -4.284 -11.522 1.00 14.14 C ATOM 1946 O PHE A 125 3.591 -5.325 -10.957 1.00 51.50 O ATOM 1947 CB PHE A 125 4.142 -2.484 -9.955 1.00 51.52 C ATOM 1948 CG PHE A 125 5.163 -1.391 -9.657 1.00 30.31 C ATOM 1949 CD1 PHE A 125 4.899 -0.056 -9.967 1.00 42.24 C ATOM 1950 CD2 PHE A 125 6.396 -1.707 -9.085 1.00 11.45 C ATOM 1951 CE1 PHE A 125 5.835 0.924 -9.711 1.00 53.20 C ATOM 1952 CE2 PHE A 125 7.330 -0.724 -8.831 1.00 42.34 C ATOM 1953 CZ PHE A 125 7.048 0.587 -9.146 1.00 22.24 C ATOM 0 H PHE A 125 3.115 -1.500 -12.223 1.00 72.04 H new ATOM 0 HA PHE A 125 5.277 -3.422 -11.564 1.00 53.21 H new ATOM 0 HB2 PHE A 125 3.139 -2.079 -9.820 1.00 51.52 H new ATOM 0 HB3 PHE A 125 4.262 -3.288 -9.229 1.00 51.52 H new ATOM 0 HD1 PHE A 125 3.952 0.212 -10.412 1.00 42.24 H new ATOM 0 HD2 PHE A 125 6.622 -2.734 -8.838 1.00 11.45 H new ATOM 0 HE1 PHE A 125 5.619 1.954 -9.953 1.00 53.20 H new ATOM 0 HE2 PHE A 125 8.280 -0.982 -8.386 1.00 42.34 H new ATOM 0 HZ PHE A 125 7.781 1.356 -8.950 1.00 22.24 H new ATOM 1963 N GLY A 126 2.231 -4.146 -12.306 1.00 5.34 N ATOM 1964 CA GLY A 126 1.221 -5.216 -12.437 1.00 61.54 C ATOM 1965 C GLY A 126 0.245 -5.317 -11.247 1.00 72.13 C ATOM 1966 O GLY A 126 0.500 -4.779 -10.162 1.00 30.24 O ATOM 0 H GLY A 126 2.031 -3.311 -12.856 1.00 5.34 H new ATOM 0 HA2 GLY A 126 0.648 -5.049 -13.349 1.00 61.54 H new ATOM 0 HA3 GLY A 126 1.733 -6.171 -12.554 1.00 61.54 H new ATOM 1970 N ASP A 127 -0.887 -6.012 -11.464 1.00 34.30 N ATOM 1971 CA ASP A 127 -1.963 -6.171 -10.451 1.00 62.52 C ATOM 1972 C ASP A 127 -1.734 -7.376 -9.491 1.00 24.25 C ATOM 1973 O ASP A 127 -2.276 -7.411 -8.372 1.00 73.34 O ATOM 1974 CB ASP A 127 -3.345 -6.271 -11.161 1.00 63.31 C ATOM 1975 CG ASP A 127 -3.446 -7.443 -12.151 1.00 70.30 C ATOM 1976 OD1 ASP A 127 -2.816 -7.375 -13.232 1.00 63.33 O ATOM 1977 OD2 ASP A 127 -4.134 -8.436 -11.853 1.00 71.31 O ATOM 0 H ASP A 127 -1.088 -6.482 -12.346 1.00 34.30 H new ATOM 0 HA ASP A 127 -1.943 -5.284 -9.818 1.00 62.52 H new ATOM 0 HB2 ASP A 127 -4.125 -6.376 -10.407 1.00 63.31 H new ATOM 0 HB3 ASP A 127 -3.539 -5.340 -11.693 1.00 63.31 H new ATOM 1982 N ASN A 128 -0.932 -8.355 -9.936 1.00 11.11 N ATOM 1983 CA ASN A 128 -0.643 -9.599 -9.170 1.00 73.12 C ATOM 1984 C ASN A 128 0.755 -9.576 -8.510 1.00 23.21 C ATOM 1985 O ASN A 128 1.193 -10.579 -7.944 1.00 12.44 O ATOM 1986 CB ASN A 128 -0.773 -10.828 -10.114 1.00 21.31 C ATOM 1987 CG ASN A 128 -2.163 -10.964 -10.749 1.00 61.04 C ATOM 1988 OD1 ASN A 128 -2.298 -11.387 -11.892 1.00 54.23 O ATOM 1989 ND2 ASN A 128 -3.213 -10.665 -10.001 1.00 13.10 N ATOM 0 H ASN A 128 -0.459 -8.316 -10.839 1.00 11.11 H new ATOM 0 HA ASN A 128 -1.372 -9.669 -8.362 1.00 73.12 H new ATOM 0 HB2 ASN A 128 -0.027 -10.750 -10.905 1.00 21.31 H new ATOM 0 HB3 ASN A 128 -0.548 -11.734 -9.552 1.00 21.31 H new ATOM 0 HD21 ASN A 128 -4.155 -10.785 -10.373 1.00 13.10 H new ATOM 0 HD22 ASN A 128 -3.080 -10.314 -9.052 1.00 13.10 H new ATOM 1996 N VAL A 129 1.424 -8.414 -8.545 1.00 70.20 N ATOM 1997 CA VAL A 129 2.842 -8.266 -8.119 1.00 3.23 C ATOM 1998 C VAL A 129 2.998 -7.223 -6.977 1.00 22.45 C ATOM 1999 O VAL A 129 2.298 -6.203 -6.943 1.00 65.11 O ATOM 2000 CB VAL A 129 3.752 -7.888 -9.342 1.00 44.44 C ATOM 2001 CG1 VAL A 129 5.229 -7.643 -8.937 1.00 31.44 C ATOM 2002 CG2 VAL A 129 3.659 -8.958 -10.461 1.00 31.41 C ATOM 0 H VAL A 129 1.004 -7.543 -8.869 1.00 70.20 H new ATOM 0 HA VAL A 129 3.166 -9.230 -7.727 1.00 3.23 H new ATOM 0 HB VAL A 129 3.370 -6.944 -9.731 1.00 44.44 H new ATOM 0 HG11 VAL A 129 5.811 -7.385 -9.822 1.00 31.44 H new ATOM 0 HG12 VAL A 129 5.278 -6.824 -8.219 1.00 31.44 H new ATOM 0 HG13 VAL A 129 5.637 -8.547 -8.485 1.00 31.44 H new ATOM 0 HG21 VAL A 129 4.299 -8.669 -11.294 1.00 31.41 H new ATOM 0 HG22 VAL A 129 3.984 -9.922 -10.070 1.00 31.41 H new ATOM 0 HG23 VAL A 129 2.628 -9.035 -10.806 1.00 31.41 H new ATOM 2012 N VAL A 130 3.922 -7.523 -6.041 1.00 42.00 N ATOM 2013 CA VAL A 130 4.261 -6.669 -4.879 1.00 14.34 C ATOM 2014 C VAL A 130 5.173 -5.488 -5.337 1.00 54.31 C ATOM 2015 O VAL A 130 6.122 -5.714 -6.110 1.00 15.13 O ATOM 2016 CB VAL A 130 5.027 -7.537 -3.786 1.00 4.22 C ATOM 2017 CG1 VAL A 130 5.392 -6.717 -2.518 1.00 72.15 C ATOM 2018 CG2 VAL A 130 4.212 -8.802 -3.413 1.00 45.31 C ATOM 0 H VAL A 130 4.467 -8.385 -6.071 1.00 42.00 H new ATOM 0 HA VAL A 130 3.343 -6.268 -4.449 1.00 14.34 H new ATOM 0 HB VAL A 130 5.968 -7.850 -4.238 1.00 4.22 H new ATOM 0 HG11 VAL A 130 5.912 -7.359 -1.807 1.00 72.15 H new ATOM 0 HG12 VAL A 130 6.039 -5.885 -2.796 1.00 72.15 H new ATOM 0 HG13 VAL A 130 4.481 -6.331 -2.060 1.00 72.15 H new ATOM 0 HG21 VAL A 130 4.756 -9.378 -2.665 1.00 45.31 H new ATOM 0 HG22 VAL A 130 3.244 -8.505 -3.009 1.00 45.31 H new ATOM 0 HG23 VAL A 130 4.062 -9.413 -4.303 1.00 45.31 H new ATOM 2028 N PRO A 131 4.915 -4.213 -4.876 1.00 61.13 N ATOM 2029 CA PRO A 131 5.756 -3.043 -5.249 1.00 71.22 C ATOM 2030 C PRO A 131 7.192 -3.152 -4.675 1.00 63.15 C ATOM 2031 O PRO A 131 7.414 -3.796 -3.645 1.00 33.45 O ATOM 2032 CB PRO A 131 4.992 -1.837 -4.635 1.00 72.21 C ATOM 2033 CG PRO A 131 4.221 -2.430 -3.491 1.00 72.44 C ATOM 2034 CD PRO A 131 3.816 -3.815 -3.953 1.00 34.24 C ATOM 0 HA PRO A 131 5.894 -2.958 -6.327 1.00 71.22 H new ATOM 0 HB2 PRO A 131 5.679 -1.063 -4.293 1.00 72.21 H new ATOM 0 HB3 PRO A 131 4.328 -1.374 -5.365 1.00 72.21 H new ATOM 0 HG2 PRO A 131 4.832 -2.480 -2.590 1.00 72.44 H new ATOM 0 HG3 PRO A 131 3.347 -1.825 -3.251 1.00 72.44 H new ATOM 0 HD2 PRO A 131 3.726 -4.507 -3.115 1.00 34.24 H new ATOM 0 HD3 PRO A 131 2.851 -3.802 -4.460 1.00 34.24 H new ATOM 2042 N TYR A 132 8.157 -2.542 -5.369 1.00 23.43 N ATOM 2043 CA TYR A 132 9.571 -2.516 -4.945 1.00 43.41 C ATOM 2044 C TYR A 132 10.186 -1.129 -5.211 1.00 42.53 C ATOM 2045 O TYR A 132 9.795 -0.432 -6.158 1.00 12.43 O ATOM 2046 CB TYR A 132 10.379 -3.644 -5.655 1.00 63.01 C ATOM 2047 CG TYR A 132 10.253 -3.660 -7.193 1.00 31.42 C ATOM 2048 CD1 TYR A 132 9.218 -4.361 -7.826 1.00 51.33 C ATOM 2049 CD2 TYR A 132 11.163 -2.975 -8.008 1.00 72.31 C ATOM 2050 CE1 TYR A 132 9.100 -4.378 -9.203 1.00 24.33 C ATOM 2051 CE2 TYR A 132 11.044 -2.992 -9.385 1.00 23.54 C ATOM 2052 CZ TYR A 132 10.013 -3.692 -9.976 1.00 51.43 C ATOM 2053 OH TYR A 132 9.903 -3.716 -11.354 1.00 53.03 O ATOM 0 H TYR A 132 7.985 -2.049 -6.245 1.00 23.43 H new ATOM 0 HA TYR A 132 9.618 -2.702 -3.872 1.00 43.41 H new ATOM 0 HB2 TYR A 132 11.431 -3.539 -5.392 1.00 63.01 H new ATOM 0 HB3 TYR A 132 10.048 -4.608 -5.267 1.00 63.01 H new ATOM 0 HD1 TYR A 132 8.498 -4.899 -7.226 1.00 51.33 H new ATOM 0 HD2 TYR A 132 11.972 -2.424 -7.552 1.00 72.31 H new ATOM 0 HE1 TYR A 132 8.296 -4.926 -9.672 1.00 24.33 H new ATOM 0 HE2 TYR A 132 11.757 -2.458 -9.997 1.00 23.54 H new ATOM 0 HH TYR A 132 10.623 -3.182 -11.749 1.00 53.03 H new ATOM 2063 N PHE A 133 11.146 -0.738 -4.361 1.00 52.53 N ATOM 2064 CA PHE A 133 11.894 0.524 -4.516 1.00 63.32 C ATOM 2065 C PHE A 133 13.079 0.319 -5.491 1.00 52.03 C ATOM 2066 O PHE A 133 13.767 -0.708 -5.435 1.00 32.44 O ATOM 2067 CB PHE A 133 12.397 1.029 -3.132 1.00 75.23 C ATOM 2068 CG PHE A 133 13.123 2.379 -3.183 1.00 11.15 C ATOM 2069 CD1 PHE A 133 12.410 3.575 -3.289 1.00 24.14 C ATOM 2070 CD2 PHE A 133 14.518 2.451 -3.157 1.00 54.23 C ATOM 2071 CE1 PHE A 133 13.066 4.792 -3.355 1.00 25.03 C ATOM 2072 CE2 PHE A 133 15.174 3.668 -3.226 1.00 14.22 C ATOM 2073 CZ PHE A 133 14.449 4.836 -3.329 1.00 53.44 C ATOM 0 H PHE A 133 11.428 -1.284 -3.547 1.00 52.53 H new ATOM 0 HA PHE A 133 11.230 1.282 -4.932 1.00 63.32 H new ATOM 0 HB2 PHE A 133 11.546 1.112 -2.456 1.00 75.23 H new ATOM 0 HB3 PHE A 133 13.069 0.283 -2.708 1.00 75.23 H new ATOM 0 HD1 PHE A 133 11.331 3.550 -3.320 1.00 24.14 H new ATOM 0 HD2 PHE A 133 15.095 1.541 -3.082 1.00 54.23 H new ATOM 0 HE1 PHE A 133 12.498 5.708 -3.427 1.00 25.03 H new ATOM 0 HE2 PHE A 133 16.253 3.702 -3.199 1.00 14.22 H new ATOM 0 HZ PHE A 133 14.960 5.785 -3.389 1.00 53.44 H new ATOM 2083 N ARG A 134 13.312 1.320 -6.364 1.00 51.42 N ATOM 2084 CA ARG A 134 14.411 1.296 -7.359 1.00 12.03 C ATOM 2085 C ARG A 134 15.783 1.438 -6.653 1.00 13.44 C ATOM 2086 O ARG A 134 16.139 2.525 -6.193 1.00 64.42 O ATOM 2087 CB ARG A 134 14.244 2.425 -8.432 1.00 2.31 C ATOM 2088 CG ARG A 134 13.024 2.293 -9.387 1.00 63.33 C ATOM 2089 CD ARG A 134 11.676 2.665 -8.743 1.00 60.03 C ATOM 2090 NE ARG A 134 10.580 2.624 -9.726 1.00 40.53 N ATOM 2091 CZ ARG A 134 9.437 3.260 -9.632 1.00 12.13 C ATOM 2092 NH1 ARG A 134 9.161 4.022 -8.619 1.00 64.33 N ATOM 2093 NH2 ARG A 134 8.568 3.137 -10.576 1.00 62.11 N ATOM 0 H ARG A 134 12.746 2.168 -6.402 1.00 51.42 H new ATOM 0 HA ARG A 134 14.367 0.335 -7.871 1.00 12.03 H new ATOM 0 HB2 ARG A 134 14.171 3.381 -7.914 1.00 2.31 H new ATOM 0 HB3 ARG A 134 15.150 2.459 -9.037 1.00 2.31 H new ATOM 0 HG2 ARG A 134 13.187 2.930 -10.256 1.00 63.33 H new ATOM 0 HG3 ARG A 134 12.970 1.266 -9.750 1.00 63.33 H new ATOM 0 HD2 ARG A 134 11.459 1.977 -7.926 1.00 60.03 H new ATOM 0 HD3 ARG A 134 11.741 3.663 -8.310 1.00 60.03 H new ATOM 0 HE ARG A 134 10.723 2.048 -10.556 1.00 40.53 H new ATOM 0 HH11 ARG A 134 9.842 4.139 -7.868 1.00 64.33 H new ATOM 0 HH12 ARG A 134 8.263 4.504 -8.573 1.00 64.33 H new ATOM 0 HH21 ARG A 134 8.773 2.550 -11.385 1.00 62.11 H new ATOM 0 HH22 ARG A 134 7.675 3.627 -10.514 1.00 62.11 H new ATOM 2107 N GLY A 135 16.516 0.317 -6.527 1.00 1.14 N ATOM 2108 CA GLY A 135 17.867 0.319 -5.945 1.00 75.42 C ATOM 2109 C GLY A 135 18.000 -0.602 -4.731 1.00 43.33 C ATOM 2110 O GLY A 135 18.882 -1.471 -4.690 1.00 31.14 O ATOM 0 H GLY A 135 16.192 -0.604 -6.822 1.00 1.14 H new ATOM 0 HA2 GLY A 135 18.584 0.012 -6.706 1.00 75.42 H new ATOM 0 HA3 GLY A 135 18.128 1.336 -5.652 1.00 75.42 H new ATOM 2114 N LEU A 136 17.105 -0.416 -3.740 1.00 71.42 N ATOM 2115 CA LEU A 136 17.138 -1.184 -2.476 1.00 21.34 C ATOM 2116 C LEU A 136 16.504 -2.585 -2.644 1.00 55.23 C ATOM 2117 O LEU A 136 15.321 -2.794 -2.339 1.00 1.43 O ATOM 2118 CB LEU A 136 16.430 -0.391 -1.340 1.00 62.30 C ATOM 2119 CG LEU A 136 17.076 0.978 -0.951 1.00 1.43 C ATOM 2120 CD1 LEU A 136 16.269 1.674 0.168 1.00 43.13 C ATOM 2121 CD2 LEU A 136 18.561 0.802 -0.561 1.00 54.31 C ATOM 0 H LEU A 136 16.346 0.263 -3.790 1.00 71.42 H new ATOM 0 HA LEU A 136 18.183 -1.329 -2.202 1.00 21.34 H new ATOM 0 HB2 LEU A 136 15.398 -0.210 -1.640 1.00 62.30 H new ATOM 0 HB3 LEU A 136 16.398 -1.020 -0.451 1.00 62.30 H new ATOM 0 HG LEU A 136 17.046 1.627 -1.826 1.00 1.43 H new ATOM 0 HD11 LEU A 136 16.740 2.624 0.419 1.00 43.13 H new ATOM 0 HD12 LEU A 136 15.250 1.854 -0.176 1.00 43.13 H new ATOM 0 HD13 LEU A 136 16.246 1.035 1.051 1.00 43.13 H new ATOM 0 HD21 LEU A 136 18.985 1.771 -0.295 1.00 54.31 H new ATOM 0 HD22 LEU A 136 18.636 0.127 0.292 1.00 54.31 H new ATOM 0 HD23 LEU A 136 19.112 0.384 -1.404 1.00 54.31 H new ATOM 2133 N GLU A 137 17.300 -3.528 -3.180 1.00 52.10 N ATOM 2134 CA GLU A 137 16.922 -4.951 -3.284 1.00 71.11 C ATOM 2135 C GLU A 137 18.033 -5.866 -2.726 1.00 35.43 C ATOM 2136 O GLU A 137 19.221 -5.678 -3.006 1.00 13.41 O ATOM 2137 CB GLU A 137 16.614 -5.371 -4.750 1.00 44.23 C ATOM 2138 CG GLU A 137 15.310 -4.794 -5.342 1.00 52.04 C ATOM 2139 CD GLU A 137 14.848 -5.570 -6.590 1.00 51.13 C ATOM 2140 OE1 GLU A 137 14.283 -6.674 -6.424 1.00 1.43 O ATOM 2141 OE2 GLU A 137 15.075 -5.108 -7.735 1.00 64.02 O ATOM 0 H GLU A 137 18.227 -3.325 -3.555 1.00 52.10 H new ATOM 0 HA GLU A 137 16.016 -5.069 -2.690 1.00 71.11 H new ATOM 0 HB2 GLU A 137 17.447 -5.063 -5.381 1.00 44.23 H new ATOM 0 HB3 GLU A 137 16.564 -6.459 -4.796 1.00 44.23 H new ATOM 0 HG2 GLU A 137 14.525 -4.823 -4.586 1.00 52.04 H new ATOM 0 HG3 GLU A 137 15.463 -3.747 -5.603 1.00 52.04 H new ATOM 2148 N HIS A 138 17.616 -6.846 -1.913 1.00 43.44 N ATOM 2149 CA HIS A 138 18.429 -8.026 -1.568 1.00 14.40 C ATOM 2150 C HIS A 138 17.828 -9.254 -2.289 1.00 13.14 C ATOM 2151 O HIS A 138 16.605 -9.327 -2.483 1.00 72.41 O ATOM 2152 CB HIS A 138 18.487 -8.226 -0.033 1.00 64.14 C ATOM 2153 CG HIS A 138 19.116 -7.070 0.701 1.00 72.14 C ATOM 2154 ND1 HIS A 138 18.531 -6.455 1.790 1.00 22.41 N ATOM 2155 CD2 HIS A 138 20.289 -6.418 0.497 1.00 42.12 C ATOM 2156 CE1 HIS A 138 19.307 -5.484 2.220 1.00 55.34 C ATOM 2157 NE2 HIS A 138 20.375 -5.440 1.457 1.00 42.02 N ATOM 0 H HIS A 138 16.697 -6.844 -1.471 1.00 43.44 H new ATOM 0 HA HIS A 138 19.458 -7.886 -1.899 1.00 14.40 H new ATOM 0 HB2 HIS A 138 17.476 -8.378 0.344 1.00 64.14 H new ATOM 0 HB3 HIS A 138 19.049 -9.134 0.186 1.00 64.14 H new ATOM 0 HD2 HIS A 138 21.016 -6.628 -0.273 1.00 42.12 H new ATOM 0 HE1 HIS A 138 19.101 -4.834 3.057 1.00 55.34 H new ATOM 0 HE2 HIS A 138 21.148 -4.782 1.561 1.00 42.02 H new ATOM 2166 N HIS A 139 18.684 -10.203 -2.700 1.00 52.23 N ATOM 2167 CA HIS A 139 18.277 -11.354 -3.535 1.00 24.33 C ATOM 2168 C HIS A 139 17.422 -12.391 -2.748 1.00 51.32 C ATOM 2169 O HIS A 139 17.936 -13.393 -2.239 1.00 45.13 O ATOM 2170 CB HIS A 139 19.533 -12.012 -4.167 1.00 34.20 C ATOM 2171 CG HIS A 139 20.302 -11.098 -5.087 1.00 35.14 C ATOM 2172 ND1 HIS A 139 19.683 -10.250 -5.984 1.00 74.14 N ATOM 2173 CD2 HIS A 139 21.634 -10.893 -5.249 1.00 72.21 C ATOM 2174 CE1 HIS A 139 20.591 -9.572 -6.651 1.00 52.23 C ATOM 2175 NE2 HIS A 139 21.780 -9.941 -6.229 1.00 61.34 N ATOM 0 H HIS A 139 19.677 -10.198 -2.466 1.00 52.23 H new ATOM 0 HA HIS A 139 17.634 -10.980 -4.331 1.00 24.33 H new ATOM 0 HB2 HIS A 139 20.195 -12.350 -3.369 1.00 34.20 H new ATOM 0 HB3 HIS A 139 19.226 -12.898 -4.723 1.00 34.20 H new ATOM 0 HD2 HIS A 139 22.429 -11.385 -4.709 1.00 72.21 H new ATOM 0 HE1 HIS A 139 20.393 -8.836 -7.416 1.00 52.23 H new ATOM 0 HE2 HIS A 139 22.669 -9.579 -6.574 1.00 61.34 H new ATOM 2184 N HIS A 140 16.104 -12.110 -2.656 1.00 24.55 N ATOM 2185 CA HIS A 140 15.098 -12.991 -2.004 1.00 41.14 C ATOM 2186 C HIS A 140 14.503 -14.025 -2.995 1.00 43.43 C ATOM 2187 O HIS A 140 13.637 -14.816 -2.600 1.00 3.34 O ATOM 2188 CB HIS A 140 13.937 -12.131 -1.423 1.00 33.32 C ATOM 2189 CG HIS A 140 14.319 -11.238 -0.272 1.00 13.25 C ATOM 2190 ND1 HIS A 140 14.749 -9.939 -0.431 1.00 25.35 N ATOM 2191 CD2 HIS A 140 14.303 -11.458 1.064 1.00 52.33 C ATOM 2192 CE1 HIS A 140 14.981 -9.407 0.750 1.00 70.34 C ATOM 2193 NE2 HIS A 140 14.717 -10.305 1.674 1.00 14.41 N ATOM 0 H HIS A 140 15.699 -11.255 -3.036 1.00 24.55 H new ATOM 0 HA HIS A 140 15.610 -13.531 -1.208 1.00 41.14 H new ATOM 0 HB2 HIS A 140 13.528 -11.513 -2.222 1.00 33.32 H new ATOM 0 HB3 HIS A 140 13.139 -12.798 -1.096 1.00 33.32 H new ATOM 0 HD1 HIS A 140 14.869 -9.463 -1.325 1.00 25.35 H new ATOM 0 HD2 HIS A 140 14.016 -12.375 1.557 1.00 52.33 H new ATOM 0 HE1 HIS A 140 15.330 -8.401 0.930 1.00 70.34 H new ATOM 2202 N HIS A 141 14.981 -14.001 -4.271 1.00 61.53 N ATOM 2203 CA HIS A 141 14.393 -14.773 -5.405 1.00 3.44 C ATOM 2204 C HIS A 141 12.960 -14.269 -5.725 1.00 12.34 C ATOM 2205 O HIS A 141 12.547 -13.204 -5.243 1.00 42.51 O ATOM 2206 CB HIS A 141 14.426 -16.314 -5.136 1.00 63.11 C ATOM 2207 CG HIS A 141 15.808 -16.888 -4.912 1.00 2.52 C ATOM 2208 ND1 HIS A 141 16.347 -17.893 -5.688 1.00 11.20 N ATOM 2209 CD2 HIS A 141 16.752 -16.606 -3.980 1.00 61.22 C ATOM 2210 CE1 HIS A 141 17.548 -18.196 -5.248 1.00 71.30 C ATOM 2211 NE2 HIS A 141 17.820 -17.433 -4.214 1.00 1.23 N ATOM 0 H HIS A 141 15.790 -13.442 -4.544 1.00 61.53 H new ATOM 0 HA HIS A 141 15.010 -14.599 -6.286 1.00 3.44 H new ATOM 0 HB2 HIS A 141 13.812 -16.529 -4.262 1.00 63.11 H new ATOM 0 HB3 HIS A 141 13.967 -16.826 -5.982 1.00 63.11 H new ATOM 0 HD2 HIS A 141 16.676 -15.866 -3.197 1.00 61.22 H new ATOM 0 HE1 HIS A 141 18.202 -18.947 -5.667 1.00 71.30 H new ATOM 0 HE2 HIS A 141 18.685 -17.453 -3.673 1.00 1.23 H new ATOM 2220 N HIS A 142 12.217 -14.994 -6.579 1.00 61.32 N ATOM 2221 CA HIS A 142 10.800 -14.676 -6.855 1.00 61.11 C ATOM 2222 C HIS A 142 9.955 -15.965 -6.991 1.00 55.44 C ATOM 2223 O HIS A 142 10.406 -16.967 -7.549 1.00 41.50 O ATOM 2224 CB HIS A 142 10.661 -13.759 -8.108 1.00 23.11 C ATOM 2225 CG HIS A 142 11.048 -14.376 -9.442 1.00 70.24 C ATOM 2226 ND1 HIS A 142 12.283 -14.190 -10.030 1.00 2.33 N ATOM 2227 CD2 HIS A 142 10.336 -15.131 -10.322 1.00 44.03 C ATOM 2228 CE1 HIS A 142 12.310 -14.792 -11.204 1.00 15.53 C ATOM 2229 NE2 HIS A 142 11.147 -15.368 -11.404 1.00 14.01 N ATOM 0 H HIS A 142 12.571 -15.803 -7.090 1.00 61.32 H new ATOM 0 HA HIS A 142 10.409 -14.120 -6.003 1.00 61.11 H new ATOM 0 HB2 HIS A 142 9.626 -13.424 -8.174 1.00 23.11 H new ATOM 0 HB3 HIS A 142 11.274 -12.871 -7.951 1.00 23.11 H new ATOM 0 HD1 HIS A 142 13.057 -13.667 -9.620 1.00 2.33 H new ATOM 0 HD2 HIS A 142 9.322 -15.479 -10.193 1.00 44.03 H new ATOM 0 HE1 HIS A 142 13.148 -14.808 -11.886 1.00 15.53 H new ATOM 2238 N HIS A 143 8.736 -15.919 -6.435 1.00 25.11 N ATOM 2239 CA HIS A 143 7.734 -16.999 -6.543 1.00 64.24 C ATOM 2240 C HIS A 143 6.514 -16.494 -7.322 1.00 21.33 C ATOM 2241 O HIS A 143 6.616 -16.227 -8.522 1.00 63.41 O ATOM 2242 CB HIS A 143 7.321 -17.506 -5.135 1.00 13.20 C ATOM 2243 CG HIS A 143 8.372 -18.359 -4.461 1.00 45.04 C ATOM 2244 ND1 HIS A 143 8.294 -19.734 -4.407 1.00 3.43 N ATOM 2245 CD2 HIS A 143 9.532 -18.032 -3.833 1.00 2.15 C ATOM 2246 CE1 HIS A 143 9.347 -20.213 -3.786 1.00 72.31 C ATOM 2247 NE2 HIS A 143 10.118 -19.208 -3.428 1.00 44.53 N ATOM 0 H HIS A 143 8.410 -15.121 -5.889 1.00 25.11 H new ATOM 0 HA HIS A 143 8.173 -17.838 -7.083 1.00 64.24 H new ATOM 0 HB2 HIS A 143 7.101 -16.648 -4.500 1.00 13.20 H new ATOM 0 HB3 HIS A 143 6.400 -18.082 -5.222 1.00 13.20 H new ATOM 0 HD1 HIS A 143 7.533 -20.295 -4.791 1.00 3.43 H new ATOM 0 HD2 HIS A 143 9.920 -17.036 -3.681 1.00 2.15 H new ATOM 0 HE1 HIS A 143 9.547 -21.258 -3.600 1.00 72.31 H new TER 2256 HIS A 143