USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 99 HIS : no HE2:sc= -0.724 K(o=-0.22,f=-5!) USER MOD Set 1.2: A 115 TYR OH : rot -11:sc= 0.503 USER MOD Set 2.1: A 74 GLN : amide:sc= 0 K(o=0,f=0.61) USER MOD Set 2.2: A 103 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 83 LYS NZ :NH3+ -105:sc= 1.31 (180deg=-0.159) USER MOD Set 3.2: A 133 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 70:sc= 0.694 USER MOD Single : A 22 TYR OH : rot 35:sc= 0.249 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00457 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 2.12 (180deg=1.85) USER MOD Single : A 61 SER OG : rot -69:sc= -0.96! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00448 USER MOD Single : A 81 ASN : amide:sc= 0.386 K(o=0.39,f=-1.1) USER MOD Single : A 82 TYR OH : rot -110:sc= 0.791 USER MOD Single : A 84 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=-0.064) USER MOD Single : A 91 TYR OH : rot 0:sc= 0.848 USER MOD Single : A 94 SER OG : rot 180:sc= -0.32 USER MOD Single : A 105 ASN : amide:sc= 0.934 K(o=0.93,f=0) USER MOD Single : A 114 SER OG : rot -65:sc= 1.28 USER MOD Single : A 118 SER OG : rot 130:sc= -0.597 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 68:sc= 1.35 USER MOD Single : A 123 ASN : amide:sc= 0.505 K(o=0.51,f=-0.19) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -7.335 3.597 -12.633 1.00 0.00 N ATOM 21 CA PRO A 2 -6.854 3.922 -11.293 1.00 0.00 C ATOM 22 C PRO A 2 -7.997 4.343 -10.375 1.00 0.00 C ATOM 23 O PRO A 2 -8.671 5.343 -10.629 1.00 0.00 O ATOM 24 CB PRO A 2 -5.884 5.093 -11.517 1.00 0.00 C ATOM 25 CG PRO A 2 -5.782 5.272 -13.000 1.00 0.00 C ATOM 26 CD PRO A 2 -7.021 4.661 -13.588 1.00 0.00 C ATOM 0 HA PRO A 2 -6.384 3.066 -10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.253 6.001 -11.040 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.908 4.878 -11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.709 6.328 -13.259 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.887 4.786 -13.389 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.831 5.385 -13.669 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.844 4.268 -14.589 1.00 0.00 H new ATOM 34 N VAL A 3 -8.227 3.568 -9.326 1.00 0.00 N ATOM 35 CA VAL A 3 -9.286 3.880 -8.372 1.00 0.00 C ATOM 36 C VAL A 3 -8.843 5.012 -7.453 1.00 0.00 C ATOM 37 O VAL A 3 -8.110 4.793 -6.496 1.00 0.00 O ATOM 38 CB VAL A 3 -9.674 2.650 -7.521 1.00 0.00 C ATOM 39 CG1 VAL A 3 -10.847 2.971 -6.602 1.00 0.00 C ATOM 40 CG2 VAL A 3 -10.000 1.463 -8.415 1.00 0.00 C ATOM 0 H VAL A 3 -7.699 2.722 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.162 4.186 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.820 2.386 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.100 2.089 -6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.572 3.787 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.708 3.267 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.271 0.606 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.834 1.718 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.129 1.213 -9.020 1.00 0.00 H new ATOM 50 N GLU A 4 -9.280 6.219 -7.757 1.00 0.00 N ATOM 51 CA GLU A 4 -8.837 7.396 -7.027 1.00 0.00 C ATOM 52 C GLU A 4 -9.882 7.849 -6.015 1.00 0.00 C ATOM 53 O GLU A 4 -11.081 7.625 -6.199 1.00 0.00 O ATOM 54 CB GLU A 4 -8.532 8.528 -8.009 1.00 0.00 C ATOM 55 CG GLU A 4 -9.668 8.801 -8.983 1.00 0.00 C ATOM 56 CD GLU A 4 -9.326 9.869 -9.996 1.00 0.00 C ATOM 57 OE1 GLU A 4 -8.512 9.597 -10.897 1.00 0.00 O ATOM 58 OE2 GLU A 4 -9.864 10.989 -9.890 1.00 0.00 O ATOM 0 H GLU A 4 -9.944 6.413 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.932 7.135 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.316 9.438 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.632 8.279 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.922 7.879 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.554 9.106 -8.425 1.00 0.00 H new ATOM 65 N LEU A 5 -9.419 8.476 -4.945 1.00 0.00 N ATOM 66 CA LEU A 5 -10.313 9.071 -3.971 1.00 0.00 C ATOM 67 C LEU A 5 -10.116 10.577 -3.952 1.00 0.00 C ATOM 68 O LEU A 5 -9.063 11.073 -3.548 1.00 0.00 O ATOM 69 CB LEU A 5 -10.075 8.495 -2.573 1.00 0.00 C ATOM 70 CG LEU A 5 -11.004 9.052 -1.493 1.00 0.00 C ATOM 71 CD1 LEU A 5 -12.450 8.708 -1.806 1.00 0.00 C ATOM 72 CD2 LEU A 5 -10.611 8.528 -0.124 1.00 0.00 C ATOM 0 H LEU A 5 -8.428 8.585 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.338 8.838 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.194 7.412 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.043 8.691 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.905 10.137 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.097 9.112 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.727 9.140 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.565 7.625 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.285 8.937 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.677 7.440 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.588 8.830 0.102 1.00 0.00 H new ATOM 84 N ARG A 6 -11.122 11.297 -4.413 1.00 0.00 N ATOM 85 CA ARG A 6 -11.058 12.748 -4.455 1.00 0.00 C ATOM 86 C ARG A 6 -11.710 13.339 -3.213 1.00 0.00 C ATOM 87 O ARG A 6 -12.469 12.661 -2.526 1.00 0.00 O ATOM 88 CB ARG A 6 -11.737 13.257 -5.729 1.00 0.00 C ATOM 89 CG ARG A 6 -11.056 12.759 -6.993 1.00 0.00 C ATOM 90 CD ARG A 6 -11.821 13.138 -8.251 1.00 0.00 C ATOM 91 NE ARG A 6 -11.996 14.585 -8.390 1.00 0.00 N ATOM 92 CZ ARG A 6 -11.067 15.409 -8.880 1.00 0.00 C ATOM 93 NH1 ARG A 6 -9.852 14.959 -9.174 1.00 0.00 N ATOM 94 NH2 ARG A 6 -11.352 16.693 -9.056 1.00 0.00 N ATOM 0 H ARG A 6 -11.994 10.901 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.015 13.064 -4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.779 12.939 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.737 14.347 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.048 13.171 -7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.955 11.675 -6.945 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.291 12.755 -9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.799 12.657 -8.235 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.884 14.989 -8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.622 13.976 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.149 15.596 -9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.278 17.047 -8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.645 17.326 -9.430 1.00 0.00 H new ATOM 108 N ALA A 7 -11.419 14.607 -2.932 1.00 0.00 N ATOM 109 CA ALA A 7 -11.931 15.264 -1.732 1.00 0.00 C ATOM 110 C ALA A 7 -13.443 15.409 -1.793 1.00 0.00 C ATOM 111 O ALA A 7 -14.108 15.548 -0.767 1.00 0.00 O ATOM 112 CB ALA A 7 -11.269 16.623 -1.547 1.00 0.00 C ATOM 0 H ALA A 7 -10.832 15.200 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.688 14.639 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.661 17.100 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.191 16.492 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.480 17.251 -2.412 1.00 0.00 H new ATOM 118 N ASN A 8 -13.980 15.367 -3.000 1.00 0.00 N ATOM 119 CA ASN A 8 -15.417 15.407 -3.191 1.00 0.00 C ATOM 120 C ASN A 8 -15.881 14.078 -3.755 1.00 0.00 C ATOM 121 O ASN A 8 -15.943 13.890 -4.970 1.00 0.00 O ATOM 122 CB ASN A 8 -15.823 16.551 -4.121 1.00 0.00 C ATOM 123 CG ASN A 8 -15.294 17.892 -3.656 1.00 0.00 C ATOM 124 OD1 ASN A 8 -15.917 18.570 -2.839 1.00 0.00 O ATOM 125 ND2 ASN A 8 -14.151 18.298 -4.193 1.00 0.00 N ATOM 0 H ASN A 8 -13.440 15.305 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 8 -15.894 15.584 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.453 16.347 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.910 16.595 -4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.758 19.202 -3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.665 17.706 -4.867 1.00 0.00 H new ATOM 132 N TRP A 9 -16.156 13.145 -2.865 1.00 0.00 N ATOM 133 CA TRP A 9 -16.533 11.799 -3.263 1.00 0.00 C ATOM 134 C TRP A 9 -18.002 11.524 -2.976 1.00 0.00 C ATOM 135 O TRP A 9 -18.602 12.126 -2.080 1.00 0.00 O ATOM 136 CB TRP A 9 -15.651 10.771 -2.539 1.00 0.00 C ATOM 137 CG TRP A 9 -15.547 10.995 -1.054 1.00 0.00 C ATOM 138 CD1 TRP A 9 -14.527 11.617 -0.392 1.00 0.00 C ATOM 139 CD2 TRP A 9 -16.487 10.597 -0.047 1.00 0.00 C ATOM 140 NE1 TRP A 9 -14.780 11.640 0.956 1.00 0.00 N ATOM 141 CE2 TRP A 9 -15.976 11.019 1.194 1.00 0.00 C ATOM 142 CE3 TRP A 9 -17.711 9.928 -0.074 1.00 0.00 C ATOM 143 CZ2 TRP A 9 -16.650 10.796 2.389 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -18.378 9.707 1.113 1.00 0.00 C ATOM 145 CH2 TRP A 9 -17.846 10.140 2.331 1.00 0.00 C ATOM 0 H TRP A 9 -16.126 13.293 -1.856 1.00 0.00 H new ATOM 0 HA TRP A 9 -16.381 11.711 -4.339 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -16.051 9.773 -2.719 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -14.651 10.796 -2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -13.647 12.031 -0.862 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -14.175 12.053 1.666 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -18.130 9.588 -1.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -16.242 11.130 3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -19.327 9.191 1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -18.392 9.952 3.244 1.00 0.00 H new ATOM 156 N SER A 10 -18.577 10.624 -3.754 1.00 0.00 N ATOM 157 CA SER A 10 -19.910 10.124 -3.484 1.00 0.00 C ATOM 158 C SER A 10 -19.815 8.947 -2.516 1.00 0.00 C ATOM 159 O SER A 10 -18.802 8.244 -2.489 1.00 0.00 O ATOM 160 CB SER A 10 -20.588 9.702 -4.791 1.00 0.00 C ATOM 161 OG SER A 10 -20.657 10.790 -5.698 1.00 0.00 O ATOM 0 H SER A 10 -18.137 10.223 -4.582 1.00 0.00 H new ATOM 0 HA SER A 10 -20.514 10.909 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.034 8.880 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 10 -21.592 9.333 -4.582 1.00 0.00 H new ATOM 0 HG SER A 10 -21.092 10.498 -6.526 1.00 0.00 H new ATOM 167 N GLU A 11 -20.854 8.748 -1.718 1.00 0.00 N ATOM 168 CA GLU A 11 -20.855 7.710 -0.691 1.00 0.00 C ATOM 169 C GLU A 11 -20.519 6.335 -1.278 1.00 0.00 C ATOM 170 O GLU A 11 -19.686 5.610 -0.732 1.00 0.00 O ATOM 171 CB GLU A 11 -22.213 7.682 0.010 1.00 0.00 C ATOM 172 CG GLU A 11 -22.312 6.678 1.144 1.00 0.00 C ATOM 173 CD GLU A 11 -23.589 6.845 1.940 1.00 0.00 C ATOM 174 OE1 GLU A 11 -24.625 6.275 1.542 1.00 0.00 O ATOM 175 OE2 GLU A 11 -23.564 7.571 2.955 1.00 0.00 O ATOM 0 H GLU A 11 -21.714 9.295 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.080 7.948 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.427 8.677 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.984 7.457 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -22.267 5.667 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.454 6.794 1.806 1.00 0.00 H new ATOM 182 N GLU A 12 -21.144 5.991 -2.401 1.00 0.00 N ATOM 183 CA GLU A 12 -20.901 4.701 -3.043 1.00 0.00 C ATOM 184 C GLU A 12 -19.513 4.660 -3.686 1.00 0.00 C ATOM 185 O GLU A 12 -18.926 3.590 -3.858 1.00 0.00 O ATOM 186 CB GLU A 12 -21.975 4.409 -4.092 1.00 0.00 C ATOM 187 CG GLU A 12 -21.916 2.991 -4.641 1.00 0.00 C ATOM 188 CD GLU A 12 -22.943 2.737 -5.720 1.00 0.00 C ATOM 189 OE1 GLU A 12 -24.122 2.493 -5.381 1.00 0.00 O ATOM 190 OE2 GLU A 12 -22.579 2.779 -6.912 1.00 0.00 O ATOM 0 H GLU A 12 -21.819 6.584 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 12 -20.946 3.932 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -22.958 4.579 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -21.868 5.114 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.920 2.803 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -22.070 2.284 -3.826 1.00 0.00 H new ATOM 197 N ASP A 13 -18.988 5.830 -4.033 1.00 0.00 N ATOM 198 CA ASP A 13 -17.652 5.928 -4.616 1.00 0.00 C ATOM 199 C ASP A 13 -16.606 5.538 -3.581 1.00 0.00 C ATOM 200 O ASP A 13 -15.715 4.736 -3.857 1.00 0.00 O ATOM 201 CB ASP A 13 -17.388 7.346 -5.134 1.00 0.00 C ATOM 202 CG ASP A 13 -16.024 7.494 -5.780 1.00 0.00 C ATOM 203 OD1 ASP A 13 -15.876 7.114 -6.961 1.00 0.00 O ATOM 204 OD2 ASP A 13 -15.103 8.015 -5.122 1.00 0.00 O ATOM 0 H ASP A 13 -19.466 6.724 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.589 5.242 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -18.158 7.612 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.471 8.051 -4.307 1.00 0.00 H new ATOM 209 N LEU A 14 -16.750 6.081 -2.375 1.00 0.00 N ATOM 210 CA LEU A 14 -15.867 5.743 -1.263 1.00 0.00 C ATOM 211 C LEU A 14 -15.945 4.249 -0.958 1.00 0.00 C ATOM 212 O LEU A 14 -14.934 3.613 -0.654 1.00 0.00 O ATOM 213 CB LEU A 14 -16.241 6.552 -0.019 1.00 0.00 C ATOM 214 CG LEU A 14 -15.387 6.273 1.219 1.00 0.00 C ATOM 215 CD1 LEU A 14 -13.942 6.682 0.981 1.00 0.00 C ATOM 216 CD2 LEU A 14 -15.948 6.994 2.431 1.00 0.00 C ATOM 0 H LEU A 14 -17.474 6.761 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.844 5.991 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.169 7.613 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.284 6.351 0.226 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.413 5.201 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.353 6.475 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.538 6.117 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.898 7.748 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.326 6.782 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.957 8.068 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.965 6.651 2.620 1.00 0.00 H new ATOM 228 N GLU A 15 -17.153 3.696 -1.056 1.00 0.00 N ATOM 229 CA GLU A 15 -17.365 2.264 -0.862 1.00 0.00 C ATOM 230 C GLU A 15 -16.480 1.455 -1.804 1.00 0.00 C ATOM 231 O GLU A 15 -15.893 0.452 -1.412 1.00 0.00 O ATOM 232 CB GLU A 15 -18.832 1.899 -1.100 1.00 0.00 C ATOM 233 CG GLU A 15 -19.790 2.520 -0.096 1.00 0.00 C ATOM 234 CD GLU A 15 -19.650 1.932 1.293 1.00 0.00 C ATOM 235 OE1 GLU A 15 -18.803 2.416 2.071 1.00 0.00 O ATOM 236 OE2 GLU A 15 -20.396 0.983 1.613 1.00 0.00 O ATOM 0 H GLU A 15 -18.001 4.220 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.100 2.024 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.117 2.215 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.937 0.815 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -19.614 3.595 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.814 2.380 -0.443 1.00 0.00 H new ATOM 243 N THR A 16 -16.379 1.908 -3.044 1.00 0.00 N ATOM 244 CA THR A 16 -15.552 1.245 -4.037 1.00 0.00 C ATOM 245 C THR A 16 -14.066 1.426 -3.724 1.00 0.00 C ATOM 246 O THR A 16 -13.276 0.496 -3.886 1.00 0.00 O ATOM 247 CB THR A 16 -15.870 1.769 -5.451 1.00 0.00 C ATOM 248 OG1 THR A 16 -17.250 1.513 -5.748 1.00 0.00 O ATOM 249 CG2 THR A 16 -14.992 1.104 -6.503 1.00 0.00 C ATOM 0 H THR A 16 -16.863 2.738 -3.387 1.00 0.00 H new ATOM 0 HA THR A 16 -15.780 0.180 -4.003 1.00 0.00 H new ATOM 0 HB THR A 16 -15.669 2.840 -5.473 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.816 2.094 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.243 1.497 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.944 1.311 -6.286 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.159 0.027 -6.489 1.00 0.00 H new ATOM 257 N VAL A 17 -13.701 2.613 -3.247 1.00 0.00 N ATOM 258 CA VAL A 17 -12.316 2.901 -2.881 1.00 0.00 C ATOM 259 C VAL A 17 -11.830 1.951 -1.786 1.00 0.00 C ATOM 260 O VAL A 17 -10.809 1.276 -1.943 1.00 0.00 O ATOM 261 CB VAL A 17 -12.149 4.361 -2.402 1.00 0.00 C ATOM 262 CG1 VAL A 17 -10.722 4.629 -1.947 1.00 0.00 C ATOM 263 CG2 VAL A 17 -12.546 5.331 -3.503 1.00 0.00 C ATOM 0 H VAL A 17 -14.345 3.391 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.713 2.755 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.809 4.512 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.634 5.664 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.472 3.961 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.037 4.454 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.422 6.354 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.913 5.170 -4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.588 5.165 -3.776 1.00 0.00 H new ATOM 273 N ILE A 18 -12.575 1.882 -0.689 1.00 0.00 N ATOM 274 CA ILE A 18 -12.187 1.036 0.434 1.00 0.00 C ATOM 275 C ILE A 18 -12.314 -0.443 0.077 1.00 0.00 C ATOM 276 O ILE A 18 -11.560 -1.276 0.577 1.00 0.00 O ATOM 277 CB ILE A 18 -13.014 1.341 1.701 1.00 0.00 C ATOM 278 CG1 ILE A 18 -14.512 1.157 1.436 1.00 0.00 C ATOM 279 CG2 ILE A 18 -12.722 2.753 2.191 1.00 0.00 C ATOM 280 CD1 ILE A 18 -15.381 1.409 2.647 1.00 0.00 C ATOM 0 H ILE A 18 -13.445 2.397 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 18 -11.143 1.261 0.650 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.724 0.635 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.816 1.832 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.687 0.142 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.311 2.957 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -11.662 2.844 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -12.984 3.470 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -16.427 1.259 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.106 0.717 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.237 2.433 2.991 1.00 0.00 H new ATOM 292 N ARG A 19 -13.259 -0.751 -0.807 1.00 0.00 N ATOM 293 CA ARG A 19 -13.460 -2.114 -1.291 1.00 0.00 C ATOM 294 C ARG A 19 -12.273 -2.572 -2.137 1.00 0.00 C ATOM 295 O ARG A 19 -11.994 -3.766 -2.244 1.00 0.00 O ATOM 296 CB ARG A 19 -14.763 -2.184 -2.099 1.00 0.00 C ATOM 297 CG ARG A 19 -15.013 -3.514 -2.798 1.00 0.00 C ATOM 298 CD ARG A 19 -16.392 -3.555 -3.443 1.00 0.00 C ATOM 299 NE ARG A 19 -16.657 -2.375 -4.272 1.00 0.00 N ATOM 300 CZ ARG A 19 -17.151 -2.434 -5.512 1.00 0.00 C ATOM 301 NH1 ARG A 19 -17.355 -3.612 -6.084 1.00 0.00 N ATOM 302 NH2 ARG A 19 -17.430 -1.319 -6.179 1.00 0.00 N ATOM 0 H ARG A 19 -13.903 -0.068 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.535 -2.786 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.599 -1.978 -1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.752 -1.393 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.249 -3.676 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.923 -4.327 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.477 -4.453 -4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.152 -3.627 -2.665 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.452 -1.456 -3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.135 -4.470 -5.578 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.732 -3.661 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.267 -0.411 -5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.807 -1.372 -7.125 1.00 0.00 H new ATOM 316 N ALA A 20 -11.578 -1.613 -2.736 1.00 0.00 N ATOM 317 CA ALA A 20 -10.394 -1.911 -3.528 1.00 0.00 C ATOM 318 C ALA A 20 -9.186 -2.120 -2.622 1.00 0.00 C ATOM 319 O ALA A 20 -8.286 -2.896 -2.938 1.00 0.00 O ATOM 320 CB ALA A 20 -10.125 -0.794 -4.527 1.00 0.00 C ATOM 0 H ALA A 20 -11.815 -0.622 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.573 -2.832 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.236 -1.034 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.980 -0.689 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.966 0.142 -3.992 1.00 0.00 H new ATOM 326 N VAL A 21 -9.175 -1.416 -1.494 1.00 0.00 N ATOM 327 CA VAL A 21 -8.101 -1.554 -0.514 1.00 0.00 C ATOM 328 C VAL A 21 -8.250 -2.859 0.269 1.00 0.00 C ATOM 329 O VAL A 21 -7.307 -3.642 0.382 1.00 0.00 O ATOM 330 CB VAL A 21 -8.077 -0.365 0.471 1.00 0.00 C ATOM 331 CG1 VAL A 21 -6.902 -0.483 1.430 1.00 0.00 C ATOM 332 CG2 VAL A 21 -8.022 0.958 -0.281 1.00 0.00 C ATOM 0 H VAL A 21 -9.897 -0.744 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.161 -1.567 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.998 -0.390 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.905 0.365 2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.988 -1.409 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.970 -0.490 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.006 1.782 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.121 0.991 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.900 1.050 -0.921 1.00 0.00 H new ATOM 342 N TYR A 22 -9.440 -3.088 0.811 1.00 0.00 N ATOM 343 CA TYR A 22 -9.716 -4.312 1.543 1.00 0.00 C ATOM 344 C TYR A 22 -11.042 -4.908 1.093 1.00 0.00 C ATOM 345 O TYR A 22 -12.008 -4.190 0.843 1.00 0.00 O ATOM 346 CB TYR A 22 -9.708 -4.075 3.060 1.00 0.00 C ATOM 347 CG TYR A 22 -10.529 -2.887 3.522 1.00 0.00 C ATOM 348 CD1 TYR A 22 -11.899 -2.994 3.738 1.00 0.00 C ATOM 349 CD2 TYR A 22 -9.924 -1.656 3.749 1.00 0.00 C ATOM 350 CE1 TYR A 22 -12.640 -1.906 4.160 1.00 0.00 C ATOM 351 CE2 TYR A 22 -10.658 -0.569 4.172 1.00 0.00 C ATOM 352 CZ TYR A 22 -12.014 -0.697 4.376 1.00 0.00 C ATOM 353 OH TYR A 22 -12.743 0.392 4.789 1.00 0.00 O ATOM 0 H TYR A 22 -10.227 -2.441 0.756 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.921 -5.024 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -10.081 -4.971 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.677 -3.936 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.391 -3.941 3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.861 -1.550 3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.704 -2.003 4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -10.172 0.380 4.343 1.00 0.00 H new ATOM 0 HH TYR A 22 -13.458 0.098 5.391 1.00 0.00 H new ATOM 586 N LEU A 37 -10.612 -1.692 11.382 1.00 0.00 N ATOM 587 CA LEU A 37 -10.127 -0.446 10.781 1.00 0.00 C ATOM 588 C LEU A 37 -11.207 0.624 10.641 1.00 0.00 C ATOM 589 O LEU A 37 -11.102 1.500 9.787 1.00 0.00 O ATOM 590 CB LEU A 37 -9.498 -0.740 9.418 1.00 0.00 C ATOM 591 CG LEU A 37 -8.181 -1.512 9.484 1.00 0.00 C ATOM 592 CD1 LEU A 37 -7.792 -2.033 8.113 1.00 0.00 C ATOM 593 CD2 LEU A 37 -7.084 -0.620 10.043 1.00 0.00 C ATOM 0 HA LEU A 37 -9.380 -0.040 11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.209 -1.309 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.327 0.203 8.899 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.314 -2.368 10.146 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.851 -2.579 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.571 -2.699 7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.674 -1.195 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.149 -1.178 10.087 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.958 0.250 9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.358 -0.291 11.046 1.00 0.00 H new ATOM 605 N VAL A 38 -12.212 0.587 11.510 1.00 0.00 N ATOM 606 CA VAL A 38 -13.275 1.592 11.488 1.00 0.00 C ATOM 607 C VAL A 38 -12.707 2.996 11.702 1.00 0.00 C ATOM 608 O VAL A 38 -13.162 3.966 11.088 1.00 0.00 O ATOM 609 CB VAL A 38 -14.358 1.296 12.550 1.00 0.00 C ATOM 610 CG1 VAL A 38 -15.375 2.427 12.636 1.00 0.00 C ATOM 611 CG2 VAL A 38 -15.056 -0.011 12.229 1.00 0.00 C ATOM 0 H VAL A 38 -12.315 -0.123 12.235 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.740 1.546 10.503 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.866 1.213 13.519 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.123 2.187 13.392 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.868 3.353 12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.863 2.551 11.669 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.817 -0.211 12.983 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.526 0.059 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.327 -0.821 12.225 1.00 0.00 H new ATOM 621 N SER A 39 -11.694 3.097 12.557 1.00 0.00 N ATOM 622 CA SER A 39 -11.038 4.369 12.802 1.00 0.00 C ATOM 623 C SER A 39 -10.375 4.875 11.528 1.00 0.00 C ATOM 624 O SER A 39 -10.447 6.060 11.204 1.00 0.00 O ATOM 625 CB SER A 39 -10.000 4.221 13.913 1.00 0.00 C ATOM 626 OG SER A 39 -10.603 3.773 15.115 1.00 0.00 O ATOM 0 H SER A 39 -11.313 2.314 13.088 1.00 0.00 H new ATOM 0 HA SER A 39 -11.789 5.094 13.117 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.229 3.515 13.604 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.506 5.178 14.084 1.00 0.00 H new ATOM 0 HG SER A 39 -9.919 3.684 15.811 1.00 0.00 H new ATOM 632 N ALA A 40 -9.757 3.959 10.793 1.00 0.00 N ATOM 633 CA ALA A 40 -9.091 4.299 9.547 1.00 0.00 C ATOM 634 C ALA A 40 -10.108 4.737 8.501 1.00 0.00 C ATOM 635 O ALA A 40 -9.885 5.715 7.782 1.00 0.00 O ATOM 636 CB ALA A 40 -8.275 3.120 9.040 1.00 0.00 C ATOM 0 H ALA A 40 -9.704 2.971 11.042 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.412 5.131 9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.783 3.393 8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.522 2.853 9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.934 2.269 8.868 1.00 0.00 H new ATOM 642 N GLU A 41 -11.229 4.021 8.435 1.00 0.00 N ATOM 643 CA GLU A 41 -12.312 4.363 7.516 1.00 0.00 C ATOM 644 C GLU A 41 -12.787 5.788 7.766 1.00 0.00 C ATOM 645 O GLU A 41 -12.868 6.599 6.846 1.00 0.00 O ATOM 646 CB GLU A 41 -13.497 3.407 7.682 1.00 0.00 C ATOM 647 CG GLU A 41 -13.140 1.936 7.552 1.00 0.00 C ATOM 648 CD GLU A 41 -14.358 1.035 7.629 1.00 0.00 C ATOM 649 OE1 GLU A 41 -15.256 1.307 8.456 1.00 0.00 O ATOM 650 OE2 GLU A 41 -14.434 0.063 6.843 1.00 0.00 O ATOM 0 H GLU A 41 -11.411 3.198 9.009 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.924 4.276 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.948 3.574 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.253 3.652 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.630 1.772 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.440 1.664 8.342 1.00 0.00 H new ATOM 657 N SER A 42 -13.076 6.085 9.027 1.00 0.00 N ATOM 658 CA SER A 42 -13.601 7.385 9.414 1.00 0.00 C ATOM 659 C SER A 42 -12.598 8.497 9.101 1.00 0.00 C ATOM 660 O SER A 42 -12.978 9.575 8.633 1.00 0.00 O ATOM 661 CB SER A 42 -13.947 7.374 10.907 1.00 0.00 C ATOM 662 OG SER A 42 -14.783 8.464 11.255 1.00 0.00 O ATOM 0 H SER A 42 -12.954 5.436 9.804 1.00 0.00 H new ATOM 0 HA SER A 42 -14.505 7.584 8.838 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.445 6.438 11.159 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.030 7.416 11.494 1.00 0.00 H new ATOM 0 HG SER A 42 -14.986 8.427 12.213 1.00 0.00 H new ATOM 668 N LEU A 43 -11.319 8.225 9.343 1.00 0.00 N ATOM 669 CA LEU A 43 -10.268 9.200 9.081 1.00 0.00 C ATOM 670 C LEU A 43 -10.136 9.472 7.586 1.00 0.00 C ATOM 671 O LEU A 43 -9.946 10.615 7.169 1.00 0.00 O ATOM 672 CB LEU A 43 -8.931 8.718 9.646 1.00 0.00 C ATOM 673 CG LEU A 43 -8.859 8.633 11.172 1.00 0.00 C ATOM 674 CD1 LEU A 43 -7.503 8.104 11.607 1.00 0.00 C ATOM 675 CD2 LEU A 43 -9.126 9.994 11.795 1.00 0.00 C ATOM 0 H LEU A 43 -10.987 7.337 9.720 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.544 10.130 9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.715 7.733 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.145 9.389 9.298 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.628 7.942 11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.466 8.049 12.695 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.349 7.110 11.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.720 8.773 11.251 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.071 9.914 12.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.380 10.707 11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.119 10.338 11.507 1.00 0.00 H new ATOM 687 N LEU A 44 -10.244 8.420 6.782 1.00 0.00 N ATOM 688 CA LEU A 44 -10.163 8.560 5.333 1.00 0.00 C ATOM 689 C LEU A 44 -11.413 9.249 4.796 1.00 0.00 C ATOM 690 O LEU A 44 -11.332 10.101 3.916 1.00 0.00 O ATOM 691 CB LEU A 44 -10.000 7.192 4.668 1.00 0.00 C ATOM 692 CG LEU A 44 -9.758 7.232 3.160 1.00 0.00 C ATOM 693 CD1 LEU A 44 -8.386 7.818 2.853 1.00 0.00 C ATOM 694 CD2 LEU A 44 -9.901 5.843 2.559 1.00 0.00 C ATOM 0 H LEU A 44 -10.387 7.464 7.108 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.291 9.171 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.167 6.672 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.896 6.602 4.862 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.511 7.877 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.232 7.838 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.327 8.833 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.615 7.203 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.725 5.892 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.173 5.172 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.907 5.468 2.745 1.00 0.00 H new ATOM 706 N ARG A 45 -12.566 8.874 5.343 1.00 0.00 N ATOM 707 CA ARG A 45 -13.842 9.453 4.936 1.00 0.00 C ATOM 708 C ARG A 45 -13.842 10.970 5.119 1.00 0.00 C ATOM 709 O ARG A 45 -14.394 11.705 4.304 1.00 0.00 O ATOM 710 CB ARG A 45 -14.991 8.826 5.736 1.00 0.00 C ATOM 711 CG ARG A 45 -16.340 9.473 5.468 1.00 0.00 C ATOM 712 CD ARG A 45 -17.484 8.723 6.134 1.00 0.00 C ATOM 713 NE ARG A 45 -17.342 8.636 7.591 1.00 0.00 N ATOM 714 CZ ARG A 45 -17.730 9.589 8.444 1.00 0.00 C ATOM 715 NH1 ARG A 45 -18.177 10.758 7.992 1.00 0.00 N ATOM 716 NH2 ARG A 45 -17.660 9.376 9.753 1.00 0.00 N ATOM 0 H ARG A 45 -12.642 8.167 6.074 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.986 9.238 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.052 7.764 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.766 8.901 6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.325 10.502 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.513 9.514 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.424 9.220 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.541 7.717 5.719 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.919 7.793 7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.225 10.932 6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.471 11.480 8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.310 8.486 10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.956 10.103 10.405 1.00 0.00 H new ATOM 730 N ASN A 46 -13.205 11.434 6.181 1.00 0.00 N ATOM 731 CA ASN A 46 -13.159 12.861 6.466 1.00 0.00 C ATOM 732 C ASN A 46 -11.897 13.498 5.898 1.00 0.00 C ATOM 733 O ASN A 46 -11.591 14.652 6.196 1.00 0.00 O ATOM 734 CB ASN A 46 -13.256 13.113 7.972 1.00 0.00 C ATOM 735 CG ASN A 46 -14.657 12.871 8.505 1.00 0.00 C ATOM 736 OD1 ASN A 46 -15.503 13.766 8.480 1.00 0.00 O ATOM 737 ND2 ASN A 46 -14.913 11.670 9.000 1.00 0.00 N ATOM 0 H ASN A 46 -12.715 10.849 6.857 1.00 0.00 H new ATOM 0 HA ASN A 46 -14.017 13.326 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.553 12.463 8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.960 14.140 8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -15.837 11.461 9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.186 10.954 9.003 1.00 0.00 H new ATOM 744 N GLY A 47 -11.175 12.735 5.078 1.00 0.00 N ATOM 745 CA GLY A 47 -9.985 13.244 4.413 1.00 0.00 C ATOM 746 C GLY A 47 -8.931 13.745 5.380 1.00 0.00 C ATOM 747 O GLY A 47 -8.162 14.647 5.054 1.00 0.00 O ATOM 0 H GLY A 47 -11.396 11.763 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.556 12.455 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.270 14.055 3.743 1.00 0.00 H new ATOM 751 N LYS A 48 -8.884 13.154 6.565 1.00 0.00 N ATOM 752 CA LYS A 48 -7.956 13.594 7.595 1.00 0.00 C ATOM 753 C LYS A 48 -6.592 12.940 7.398 1.00 0.00 C ATOM 754 O LYS A 48 -5.558 13.505 7.762 1.00 0.00 O ATOM 755 CB LYS A 48 -8.517 13.283 8.986 1.00 0.00 C ATOM 756 CG LYS A 48 -7.646 13.781 10.128 1.00 0.00 C ATOM 757 CD LYS A 48 -8.350 13.663 11.468 1.00 0.00 C ATOM 758 CE LYS A 48 -9.559 14.585 11.551 1.00 0.00 C ATOM 759 NZ LYS A 48 -10.213 14.525 12.883 1.00 0.00 N ATOM 0 H LYS A 48 -9.477 12.370 6.836 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.829 14.673 7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.507 13.730 9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.644 12.205 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.718 13.209 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.374 14.822 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.667 12.632 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.652 13.905 12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.249 15.609 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.279 14.309 10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.031 15.167 12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.532 13.553 13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.534 14.813 13.616 1.00 0.00 H new ATOM 773 N ILE A 49 -6.596 11.753 6.811 1.00 0.00 N ATOM 774 CA ILE A 49 -5.360 11.043 6.516 1.00 0.00 C ATOM 775 C ILE A 49 -5.213 10.850 5.012 1.00 0.00 C ATOM 776 O ILE A 49 -6.207 10.818 4.285 1.00 0.00 O ATOM 777 CB ILE A 49 -5.295 9.664 7.214 1.00 0.00 C ATOM 778 CG1 ILE A 49 -6.444 8.762 6.748 1.00 0.00 C ATOM 779 CG2 ILE A 49 -5.323 9.831 8.729 1.00 0.00 C ATOM 780 CD1 ILE A 49 -6.371 7.352 7.297 1.00 0.00 C ATOM 0 H ILE A 49 -7.443 11.260 6.529 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.542 11.653 6.900 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.356 9.185 6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.391 9.211 7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.442 8.719 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.277 8.851 9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.468 10.428 9.045 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.245 10.333 9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.216 6.772 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.440 6.884 6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.404 7.383 8.386 1.00 0.00 H new ATOM 792 N THR A 50 -3.980 10.739 4.545 1.00 0.00 N ATOM 793 CA THR A 50 -3.724 10.512 3.135 1.00 0.00 C ATOM 794 C THR A 50 -4.006 9.057 2.777 1.00 0.00 C ATOM 795 O THR A 50 -3.947 8.178 3.639 1.00 0.00 O ATOM 796 CB THR A 50 -2.266 10.859 2.762 1.00 0.00 C ATOM 797 OG1 THR A 50 -1.354 10.136 3.601 1.00 0.00 O ATOM 798 CG2 THR A 50 -2.005 12.354 2.891 1.00 0.00 C ATOM 0 H THR A 50 -3.142 10.803 5.123 1.00 0.00 H new ATOM 0 HA THR A 50 -4.388 11.166 2.570 1.00 0.00 H new ATOM 0 HB THR A 50 -2.110 10.570 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.433 10.362 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.971 12.567 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.673 12.899 2.224 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.184 12.667 3.920 1.00 0.00 H new ATOM 806 N VAL A 51 -4.318 8.802 1.510 1.00 0.00 N ATOM 807 CA VAL A 51 -4.566 7.441 1.050 1.00 0.00 C ATOM 808 C VAL A 51 -3.327 6.574 1.265 1.00 0.00 C ATOM 809 O VAL A 51 -3.437 5.402 1.622 1.00 0.00 O ATOM 810 CB VAL A 51 -4.994 7.409 -0.437 1.00 0.00 C ATOM 811 CG1 VAL A 51 -5.128 5.979 -0.943 1.00 0.00 C ATOM 812 CG2 VAL A 51 -6.304 8.162 -0.623 1.00 0.00 C ATOM 0 H VAL A 51 -4.405 9.516 0.787 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.389 7.038 1.639 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.217 7.899 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.430 5.990 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.170 5.468 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.880 5.454 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.595 8.132 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.081 7.695 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.175 9.198 -0.311 1.00 0.00 H new ATOM 822 N ARG A 52 -2.151 7.169 1.080 1.00 0.00 N ATOM 823 CA ARG A 52 -0.891 6.477 1.333 1.00 0.00 C ATOM 824 C ARG A 52 -0.848 5.955 2.768 1.00 0.00 C ATOM 825 O ARG A 52 -0.511 4.796 3.015 1.00 0.00 O ATOM 826 CB ARG A 52 0.295 7.416 1.105 1.00 0.00 C ATOM 827 CG ARG A 52 1.643 6.720 1.203 1.00 0.00 C ATOM 828 CD ARG A 52 2.795 7.708 1.299 1.00 0.00 C ATOM 829 NE ARG A 52 2.851 8.372 2.605 1.00 0.00 N ATOM 830 CZ ARG A 52 3.982 8.783 3.178 1.00 0.00 C ATOM 831 NH1 ARG A 52 5.141 8.614 2.552 1.00 0.00 N ATOM 832 NH2 ARG A 52 3.953 9.354 4.377 1.00 0.00 N ATOM 0 H ARG A 52 -2.045 8.130 0.755 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.824 5.639 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.202 7.875 0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.257 8.222 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.651 6.069 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.785 6.083 0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.735 7.186 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.693 8.459 0.516 1.00 0.00 H new ATOM 0 HE ARG A 52 1.975 8.528 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.165 8.170 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.007 8.928 2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.064 9.479 4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.820 9.668 4.814 1.00 0.00 H new ATOM 846 N GLU A 53 -1.207 6.824 3.708 1.00 0.00 N ATOM 847 CA GLU A 53 -1.191 6.480 5.122 1.00 0.00 C ATOM 848 C GLU A 53 -2.296 5.480 5.445 1.00 0.00 C ATOM 849 O GLU A 53 -2.114 4.586 6.274 1.00 0.00 O ATOM 850 CB GLU A 53 -1.342 7.745 5.969 1.00 0.00 C ATOM 851 CG GLU A 53 -1.308 7.499 7.465 1.00 0.00 C ATOM 852 CD GLU A 53 -1.001 8.763 8.238 1.00 0.00 C ATOM 853 OE1 GLU A 53 -1.849 9.678 8.257 1.00 0.00 O ATOM 854 OE2 GLU A 53 0.108 8.853 8.798 1.00 0.00 O ATOM 0 H GLU A 53 -1.514 7.777 3.512 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.235 6.013 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.544 8.441 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.284 8.230 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.269 7.100 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.556 6.743 7.692 1.00 0.00 H new ATOM 861 N PHE A 54 -3.436 5.634 4.781 1.00 0.00 N ATOM 862 CA PHE A 54 -4.552 4.711 4.945 1.00 0.00 C ATOM 863 C PHE A 54 -4.137 3.295 4.554 1.00 0.00 C ATOM 864 O PHE A 54 -4.317 2.355 5.327 1.00 0.00 O ATOM 865 CB PHE A 54 -5.749 5.162 4.102 1.00 0.00 C ATOM 866 CG PHE A 54 -6.932 4.237 4.181 1.00 0.00 C ATOM 867 CD1 PHE A 54 -7.747 4.232 5.300 1.00 0.00 C ATOM 868 CD2 PHE A 54 -7.233 3.382 3.131 1.00 0.00 C ATOM 869 CE1 PHE A 54 -8.841 3.391 5.372 1.00 0.00 C ATOM 870 CE2 PHE A 54 -8.324 2.539 3.200 1.00 0.00 C ATOM 871 CZ PHE A 54 -9.130 2.544 4.321 1.00 0.00 C ATOM 0 H PHE A 54 -3.612 6.392 4.122 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.845 4.711 5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.055 6.157 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.436 5.248 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.525 4.892 6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.607 3.376 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.470 3.396 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.547 1.876 2.377 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.985 1.886 4.375 1.00 0.00 H new ATOM 881 N VAL A 55 -3.568 3.154 3.359 1.00 0.00 N ATOM 882 CA VAL A 55 -3.114 1.854 2.872 1.00 0.00 C ATOM 883 C VAL A 55 -2.058 1.266 3.806 1.00 0.00 C ATOM 884 O VAL A 55 -2.067 0.065 4.088 1.00 0.00 O ATOM 885 CB VAL A 55 -2.540 1.949 1.440 1.00 0.00 C ATOM 886 CG1 VAL A 55 -2.018 0.597 0.967 1.00 0.00 C ATOM 887 CG2 VAL A 55 -3.596 2.471 0.476 1.00 0.00 C ATOM 0 H VAL A 55 -3.410 3.925 2.710 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.984 1.198 2.851 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.705 2.649 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.620 0.694 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.228 0.257 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.832 -0.128 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.175 2.531 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.450 1.794 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.920 3.462 0.794 1.00 0.00 H new ATOM 897 N ARG A 56 -1.162 2.123 4.294 1.00 0.00 N ATOM 898 CA ARG A 56 -0.138 1.706 5.248 1.00 0.00 C ATOM 899 C ARG A 56 -0.785 1.089 6.482 1.00 0.00 C ATOM 900 O ARG A 56 -0.430 -0.016 6.898 1.00 0.00 O ATOM 901 CB ARG A 56 0.742 2.897 5.654 1.00 0.00 C ATOM 902 CG ARG A 56 1.813 2.544 6.680 1.00 0.00 C ATOM 903 CD ARG A 56 2.757 3.707 6.954 1.00 0.00 C ATOM 904 NE ARG A 56 2.073 4.872 7.522 1.00 0.00 N ATOM 905 CZ ARG A 56 2.506 5.528 8.602 1.00 0.00 C ATOM 906 NH1 ARG A 56 3.560 5.081 9.271 1.00 0.00 N ATOM 907 NH2 ARG A 56 1.886 6.622 9.028 1.00 0.00 N ATOM 0 H ARG A 56 -1.125 3.111 4.043 1.00 0.00 H new ATOM 0 HA ARG A 56 0.492 0.957 4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.223 3.302 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.108 3.685 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.335 2.240 7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.387 1.689 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.539 3.381 7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.248 3.997 6.025 1.00 0.00 H new ATOM 0 HE ARG A 56 1.220 5.200 7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.040 4.236 8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.891 5.582 10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.068 6.972 8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.228 7.113 9.854 1.00 0.00 H new ATOM 921 N ALA A 57 -1.751 1.805 7.045 1.00 0.00 N ATOM 922 CA ALA A 57 -2.459 1.336 8.222 1.00 0.00 C ATOM 923 C ALA A 57 -3.139 0.002 7.947 1.00 0.00 C ATOM 924 O ALA A 57 -2.949 -0.954 8.688 1.00 0.00 O ATOM 925 CB ALA A 57 -3.476 2.373 8.680 1.00 0.00 C ATOM 0 H ALA A 57 -2.060 2.714 6.702 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.733 1.188 9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.998 2.005 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.963 3.303 8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.196 2.553 7.882 1.00 0.00 H new ATOM 931 N VAL A 58 -3.902 -0.059 6.858 1.00 0.00 N ATOM 932 CA VAL A 58 -4.649 -1.265 6.499 1.00 0.00 C ATOM 933 C VAL A 58 -3.734 -2.480 6.363 1.00 0.00 C ATOM 934 O VAL A 58 -3.968 -3.518 6.982 1.00 0.00 O ATOM 935 CB VAL A 58 -5.426 -1.073 5.174 1.00 0.00 C ATOM 936 CG1 VAL A 58 -6.150 -2.354 4.771 1.00 0.00 C ATOM 937 CG2 VAL A 58 -6.415 0.074 5.296 1.00 0.00 C ATOM 0 H VAL A 58 -4.020 0.716 6.205 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.354 -1.442 7.311 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.703 -0.831 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.687 -2.190 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.424 -3.155 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.857 -2.633 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.952 0.193 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.126 -0.142 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.878 0.994 5.527 1.00 0.00 H new ATOM 947 N ALA A 59 -2.680 -2.335 5.575 1.00 0.00 N ATOM 948 CA ALA A 59 -1.805 -3.452 5.249 1.00 0.00 C ATOM 949 C ALA A 59 -1.037 -3.964 6.467 1.00 0.00 C ATOM 950 O ALA A 59 -0.697 -5.143 6.541 1.00 0.00 O ATOM 951 CB ALA A 59 -0.835 -3.046 4.150 1.00 0.00 C ATOM 0 H ALA A 59 -2.408 -1.450 5.147 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.436 -4.270 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.183 -3.886 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.394 -2.756 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.232 -2.204 4.490 1.00 0.00 H new ATOM 957 N LYS A 60 -0.773 -3.090 7.426 1.00 0.00 N ATOM 958 CA LYS A 60 0.061 -3.458 8.563 1.00 0.00 C ATOM 959 C LYS A 60 -0.762 -3.785 9.813 1.00 0.00 C ATOM 960 O LYS A 60 -0.197 -4.034 10.880 1.00 0.00 O ATOM 961 CB LYS A 60 1.051 -2.332 8.875 1.00 0.00 C ATOM 962 CG LYS A 60 1.960 -1.978 7.703 1.00 0.00 C ATOM 963 CD LYS A 60 2.962 -0.896 8.078 1.00 0.00 C ATOM 964 CE LYS A 60 3.930 -1.384 9.142 1.00 0.00 C ATOM 965 NZ LYS A 60 4.887 -0.328 9.565 1.00 0.00 N ATOM 0 H LYS A 60 -1.119 -2.131 7.442 1.00 0.00 H new ATOM 0 HA LYS A 60 0.602 -4.362 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.495 -1.443 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.666 -2.625 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.493 -2.870 7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.355 -1.639 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.517 -0.589 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.431 -0.016 8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.368 -1.730 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.485 -2.241 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.647 -0.755 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.297 0.126 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.388 0.385 10.135 1.00 0.00 H new ATOM 979 N SER A 61 -2.084 -3.812 9.690 1.00 0.00 N ATOM 980 CA SER A 61 -2.934 -3.997 10.866 1.00 0.00 C ATOM 981 C SER A 61 -3.813 -5.242 10.775 1.00 0.00 C ATOM 982 O SER A 61 -4.778 -5.370 11.534 1.00 0.00 O ATOM 983 CB SER A 61 -3.812 -2.765 11.075 1.00 0.00 C ATOM 984 OG SER A 61 -4.584 -2.495 9.921 1.00 0.00 O ATOM 0 H SER A 61 -2.585 -3.711 8.808 1.00 0.00 H new ATOM 0 HA SER A 61 -2.267 -4.135 11.717 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.470 -2.923 11.929 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.187 -1.903 11.309 1.00 0.00 H new ATOM 0 HG SER A 61 -3.996 -2.195 9.197 1.00 0.00 H new ATOM 990 N GLU A 62 -3.482 -6.161 9.870 1.00 0.00 N ATOM 991 CA GLU A 62 -4.250 -7.398 9.741 1.00 0.00 C ATOM 992 C GLU A 62 -4.349 -8.119 11.082 1.00 0.00 C ATOM 993 O GLU A 62 -3.359 -8.258 11.808 1.00 0.00 O ATOM 994 CB GLU A 62 -3.651 -8.312 8.671 1.00 0.00 C ATOM 995 CG GLU A 62 -4.003 -7.884 7.254 1.00 0.00 C ATOM 996 CD GLU A 62 -5.503 -7.888 7.004 1.00 0.00 C ATOM 997 OE1 GLU A 62 -6.175 -6.895 7.357 1.00 0.00 O ATOM 998 OE2 GLU A 62 -6.022 -8.883 6.457 1.00 0.00 O ATOM 0 H GLU A 62 -2.698 -6.075 9.223 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.259 -7.133 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.567 -8.327 8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.002 -9.331 8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.609 -6.884 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.517 -8.553 6.544 1.00 0.00 H new ATOM 1005 N LEU A 63 -5.562 -8.553 11.398 1.00 0.00 N ATOM 1006 CA LEU A 63 -5.896 -9.073 12.720 1.00 0.00 C ATOM 1007 C LEU A 63 -5.044 -10.275 13.117 1.00 0.00 C ATOM 1008 O LEU A 63 -4.284 -10.208 14.084 1.00 0.00 O ATOM 1009 CB LEU A 63 -7.379 -9.448 12.773 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.350 -8.317 12.432 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.784 -8.811 12.487 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -8.156 -7.141 13.377 1.00 0.00 C ATOM 0 H LEU A 63 -6.345 -8.555 10.744 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.683 -8.280 13.437 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.553 -10.275 12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.609 -9.813 13.774 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.140 -7.980 11.417 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.461 -7.992 12.242 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.918 -9.620 11.769 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.005 -9.176 13.490 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.856 -6.347 13.118 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.337 -7.464 14.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.136 -6.768 13.289 1.00 0.00 H new ATOM 1024 N TYR A 64 -5.168 -11.367 12.377 1.00 0.00 N ATOM 1025 CA TYR A 64 -4.518 -12.618 12.753 1.00 0.00 C ATOM 1026 C TYR A 64 -3.554 -13.080 11.672 1.00 0.00 C ATOM 1027 O TYR A 64 -3.643 -12.653 10.523 1.00 0.00 O ATOM 1028 CB TYR A 64 -5.562 -13.712 13.005 1.00 0.00 C ATOM 1029 CG TYR A 64 -6.536 -13.395 14.119 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -7.707 -12.693 13.866 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -6.287 -13.805 15.421 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -8.602 -12.405 14.877 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -7.177 -13.521 16.441 1.00 0.00 C ATOM 1034 CZ TYR A 64 -8.332 -12.820 16.163 1.00 0.00 C ATOM 1035 OH TYR A 64 -9.226 -12.540 17.172 1.00 0.00 O ATOM 0 H TYR A 64 -5.711 -11.414 11.515 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.957 -12.436 13.670 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.122 -13.883 12.086 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.047 -14.643 13.242 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -7.922 -12.366 12.859 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.384 -14.355 15.641 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.508 -11.858 14.661 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.969 -13.846 17.450 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.888 -12.902 18.018 1.00 0.00 H new ATOM 1045 N LYS A 65 -2.635 -13.957 12.048 1.00 0.00 N ATOM 1046 CA LYS A 65 -1.702 -14.534 11.099 1.00 0.00 C ATOM 1047 C LYS A 65 -2.261 -15.847 10.563 1.00 0.00 C ATOM 1048 O LYS A 65 -2.137 -16.895 11.195 1.00 0.00 O ATOM 1049 CB LYS A 65 -0.336 -14.760 11.757 1.00 0.00 C ATOM 1050 CG LYS A 65 0.706 -15.364 10.829 1.00 0.00 C ATOM 1051 CD LYS A 65 2.021 -15.597 11.554 1.00 0.00 C ATOM 1052 CE LYS A 65 3.049 -16.258 10.654 1.00 0.00 C ATOM 1053 NZ LYS A 65 4.338 -16.483 11.359 1.00 0.00 N ATOM 0 H LYS A 65 -2.517 -14.284 13.007 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.567 -13.841 10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.036 -13.807 12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.463 -15.415 12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.336 -16.308 10.429 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.869 -14.700 9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.411 -14.645 11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.848 -16.223 12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.659 -17.211 10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.219 -15.634 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.014 -16.936 10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.723 -15.571 11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.181 -17.100 12.182 1.00 0.00 H new ATOM 1185 N PHE A 73 6.031 -21.130 0.113 1.00 0.00 N ATOM 1186 CA PHE A 73 6.821 -20.138 -0.590 1.00 0.00 C ATOM 1187 C PHE A 73 6.437 -18.741 -0.123 1.00 0.00 C ATOM 1188 O PHE A 73 5.619 -18.068 -0.751 1.00 0.00 O ATOM 1189 CB PHE A 73 6.643 -20.266 -2.106 1.00 0.00 C ATOM 1190 CG PHE A 73 7.168 -21.558 -2.667 1.00 0.00 C ATOM 1191 CD1 PHE A 73 8.522 -21.720 -2.909 1.00 0.00 C ATOM 1192 CD2 PHE A 73 6.311 -22.608 -2.948 1.00 0.00 C ATOM 1193 CE1 PHE A 73 9.011 -22.906 -3.421 1.00 0.00 C ATOM 1194 CE2 PHE A 73 6.795 -23.797 -3.458 1.00 0.00 C ATOM 1195 CZ PHE A 73 8.146 -23.947 -3.696 1.00 0.00 C ATOM 0 HA PHE A 73 7.873 -20.311 -0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.584 -20.179 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.151 -19.435 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.203 -20.910 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.252 -22.496 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.069 -23.019 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.116 -24.609 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.526 -24.876 -4.096 1.00 0.00 H new ATOM 1205 N GLN A 74 7.023 -18.327 0.999 1.00 0.00 N ATOM 1206 CA GLN A 74 6.760 -17.016 1.591 1.00 0.00 C ATOM 1207 C GLN A 74 7.071 -15.883 0.618 1.00 0.00 C ATOM 1208 O GLN A 74 6.577 -14.770 0.780 1.00 0.00 O ATOM 1209 CB GLN A 74 7.532 -16.851 2.900 1.00 0.00 C ATOM 1210 CG GLN A 74 6.921 -17.649 4.045 1.00 0.00 C ATOM 1211 CD GLN A 74 7.691 -17.523 5.342 1.00 0.00 C ATOM 1212 OE1 GLN A 74 8.583 -18.320 5.625 1.00 0.00 O ATOM 1213 NE2 GLN A 74 7.345 -16.530 6.144 1.00 0.00 N ATOM 0 H GLN A 74 7.693 -18.890 1.523 1.00 0.00 H new ATOM 0 HA GLN A 74 5.695 -16.961 1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 74 8.564 -17.168 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.559 -15.796 3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.896 -17.314 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.872 -18.700 3.760 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.599 -15.890 5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.824 -16.404 7.035 1.00 0.00 H new ATOM 1222 N THR A 75 7.919 -16.170 -0.367 1.00 0.00 N ATOM 1223 CA THR A 75 8.189 -15.245 -1.464 1.00 0.00 C ATOM 1224 C THR A 75 6.892 -14.628 -2.006 1.00 0.00 C ATOM 1225 O THR A 75 6.846 -13.439 -2.325 1.00 0.00 O ATOM 1226 CB THR A 75 8.912 -15.981 -2.612 1.00 0.00 C ATOM 1227 OG1 THR A 75 10.016 -16.734 -2.087 1.00 0.00 O ATOM 1228 CG2 THR A 75 9.407 -15.002 -3.665 1.00 0.00 C ATOM 0 H THR A 75 8.436 -17.047 -0.427 1.00 0.00 H new ATOM 0 HA THR A 75 8.821 -14.447 -1.075 1.00 0.00 H new ATOM 0 HB THR A 75 8.201 -16.658 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.471 -17.201 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.912 -15.549 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.560 -14.456 -4.081 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.104 -14.299 -3.209 1.00 0.00 H new ATOM 1236 N ARG A 76 5.830 -15.438 -2.063 1.00 0.00 N ATOM 1237 CA ARG A 76 4.534 -14.988 -2.566 1.00 0.00 C ATOM 1238 C ARG A 76 3.987 -13.820 -1.748 1.00 0.00 C ATOM 1239 O ARG A 76 3.294 -12.960 -2.280 1.00 0.00 O ATOM 1240 CB ARG A 76 3.516 -16.133 -2.548 1.00 0.00 C ATOM 1241 CG ARG A 76 3.463 -16.971 -3.822 1.00 0.00 C ATOM 1242 CD ARG A 76 4.767 -17.695 -4.110 1.00 0.00 C ATOM 1243 NE ARG A 76 5.699 -16.872 -4.877 1.00 0.00 N ATOM 1244 CZ ARG A 76 6.711 -17.362 -5.583 1.00 0.00 C ATOM 1245 NH1 ARG A 76 6.942 -18.667 -5.600 1.00 0.00 N ATOM 1246 NH2 ARG A 76 7.491 -16.547 -6.276 1.00 0.00 N ATOM 0 H ARG A 76 5.846 -16.413 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 76 4.690 -14.654 -3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.746 -16.790 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.526 -15.716 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.659 -17.702 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.218 -16.325 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.233 -17.988 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.557 -18.612 -4.661 1.00 0.00 H new ATOM 0 HE ARG A 76 5.564 -15.861 -4.870 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.341 -19.298 -5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.720 -19.040 -6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.315 -15.542 -6.268 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.268 -16.924 -6.818 1.00 0.00 H new ATOM 1260 N VAL A 77 4.312 -13.791 -0.462 1.00 0.00 N ATOM 1261 CA VAL A 77 3.817 -12.753 0.435 1.00 0.00 C ATOM 1262 C VAL A 77 4.503 -11.420 0.147 1.00 0.00 C ATOM 1263 O VAL A 77 3.863 -10.369 0.141 1.00 0.00 O ATOM 1264 CB VAL A 77 4.034 -13.140 1.914 1.00 0.00 C ATOM 1265 CG1 VAL A 77 3.445 -12.090 2.841 1.00 0.00 C ATOM 1266 CG2 VAL A 77 3.436 -14.511 2.200 1.00 0.00 C ATOM 0 H VAL A 77 4.919 -14.478 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 77 2.746 -12.650 0.257 1.00 0.00 H new ATOM 0 HB VAL A 77 5.107 -13.188 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.611 -12.385 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.927 -11.130 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.375 -12.001 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.598 -14.768 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.366 -14.492 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.915 -15.257 1.565 1.00 0.00 H new ATOM 1276 N ILE A 78 5.804 -11.472 -0.112 1.00 0.00 N ATOM 1277 CA ILE A 78 6.553 -10.276 -0.479 1.00 0.00 C ATOM 1278 C ILE A 78 6.046 -9.734 -1.808 1.00 0.00 C ATOM 1279 O ILE A 78 5.838 -8.529 -1.967 1.00 0.00 O ATOM 1280 CB ILE A 78 8.064 -10.562 -0.582 1.00 0.00 C ATOM 1281 CG1 ILE A 78 8.610 -10.986 0.782 1.00 0.00 C ATOM 1282 CG2 ILE A 78 8.808 -9.339 -1.107 1.00 0.00 C ATOM 1283 CD1 ILE A 78 10.076 -11.350 0.761 1.00 0.00 C ATOM 0 H ILE A 78 6.361 -12.326 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 78 6.401 -9.535 0.306 1.00 0.00 H new ATOM 0 HB ILE A 78 8.219 -11.378 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.456 -10.175 1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.037 -11.840 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.873 -9.561 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.430 -9.080 -2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.653 -8.500 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.393 -11.640 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.235 -12.182 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.660 -10.491 0.430 1.00 0.00 H new ATOM 1295 N GLU A 79 5.834 -10.642 -2.754 1.00 0.00 N ATOM 1296 CA GLU A 79 5.269 -10.283 -4.045 1.00 0.00 C ATOM 1297 C GLU A 79 3.859 -9.746 -3.863 1.00 0.00 C ATOM 1298 O GLU A 79 3.444 -8.826 -4.554 1.00 0.00 O ATOM 1299 CB GLU A 79 5.239 -11.494 -4.970 1.00 0.00 C ATOM 1300 CG GLU A 79 6.592 -12.156 -5.161 1.00 0.00 C ATOM 1301 CD GLU A 79 6.479 -13.475 -5.886 1.00 0.00 C ATOM 1302 OE1 GLU A 79 5.631 -14.301 -5.490 1.00 0.00 O ATOM 1303 OE2 GLU A 79 7.221 -13.695 -6.862 1.00 0.00 O ATOM 0 H GLU A 79 6.046 -11.634 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 79 5.895 -9.512 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.540 -12.228 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.855 -11.186 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.246 -11.489 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.058 -12.316 -4.189 1.00 0.00 H new ATOM 1310 N LEU A 80 3.132 -10.333 -2.923 1.00 0.00 N ATOM 1311 CA LEU A 80 1.787 -9.888 -2.580 1.00 0.00 C ATOM 1312 C LEU A 80 1.807 -8.402 -2.212 1.00 0.00 C ATOM 1313 O LEU A 80 1.012 -7.610 -2.729 1.00 0.00 O ATOM 1314 CB LEU A 80 1.251 -10.752 -1.425 1.00 0.00 C ATOM 1315 CG LEU A 80 -0.185 -10.484 -0.970 1.00 0.00 C ATOM 1316 CD1 LEU A 80 -0.822 -11.767 -0.460 1.00 0.00 C ATOM 1317 CD2 LEU A 80 -0.213 -9.434 0.125 1.00 0.00 C ATOM 0 H LEU A 80 3.457 -11.131 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 80 1.122 -10.006 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.323 -11.798 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.910 -10.618 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.750 -10.115 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.844 -11.563 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.833 -12.510 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.246 -12.149 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.243 -9.258 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.368 -9.783 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.217 -8.505 -0.250 1.00 0.00 H new ATOM 1329 N ASN A 81 2.737 -8.026 -1.339 1.00 0.00 N ATOM 1330 CA ASN A 81 2.907 -6.627 -0.956 1.00 0.00 C ATOM 1331 C ASN A 81 3.377 -5.800 -2.146 1.00 0.00 C ATOM 1332 O ASN A 81 2.927 -4.674 -2.350 1.00 0.00 O ATOM 1333 CB ASN A 81 3.906 -6.493 0.203 1.00 0.00 C ATOM 1334 CG ASN A 81 3.381 -7.098 1.488 1.00 0.00 C ATOM 1335 OD1 ASN A 81 2.167 -7.172 1.701 1.00 0.00 O ATOM 1336 ND2 ASN A 81 4.285 -7.515 2.365 1.00 0.00 N ATOM 0 H ASN A 81 3.384 -8.669 -0.883 1.00 0.00 H new ATOM 0 HA ASN A 81 1.939 -6.250 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.842 -6.980 -0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.131 -5.439 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.986 -7.915 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.279 -7.436 2.150 1.00 0.00 H new ATOM 1343 N TYR A 82 4.266 -6.382 -2.937 1.00 0.00 N ATOM 1344 CA TYR A 82 4.817 -5.727 -4.119 1.00 0.00 C ATOM 1345 C TYR A 82 3.704 -5.357 -5.100 1.00 0.00 C ATOM 1346 O TYR A 82 3.604 -4.211 -5.546 1.00 0.00 O ATOM 1347 CB TYR A 82 5.817 -6.669 -4.799 1.00 0.00 C ATOM 1348 CG TYR A 82 7.029 -5.980 -5.384 1.00 0.00 C ATOM 1349 CD1 TYR A 82 6.913 -5.101 -6.449 1.00 0.00 C ATOM 1350 CD2 TYR A 82 8.293 -6.222 -4.866 1.00 0.00 C ATOM 1351 CE1 TYR A 82 8.024 -4.480 -6.985 1.00 0.00 C ATOM 1352 CE2 TYR A 82 9.409 -5.608 -5.394 1.00 0.00 C ATOM 1353 CZ TYR A 82 9.269 -4.737 -6.455 1.00 0.00 C ATOM 1354 OH TYR A 82 10.376 -4.113 -6.984 1.00 0.00 O ATOM 0 H TYR A 82 4.628 -7.323 -2.779 1.00 0.00 H new ATOM 0 HA TYR A 82 5.322 -4.811 -3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.151 -7.410 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.304 -7.211 -5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.938 -4.898 -6.867 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.405 -6.903 -4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.917 -3.797 -7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.386 -5.807 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 82 10.927 -4.771 -7.457 1.00 0.00 H new ATOM 1364 N LYS A 83 2.859 -6.336 -5.405 1.00 0.00 N ATOM 1365 CA LYS A 83 1.788 -6.173 -6.384 1.00 0.00 C ATOM 1366 C LYS A 83 0.702 -5.234 -5.867 1.00 0.00 C ATOM 1367 O LYS A 83 -0.025 -4.634 -6.653 1.00 0.00 O ATOM 1368 CB LYS A 83 1.174 -7.538 -6.726 1.00 0.00 C ATOM 1369 CG LYS A 83 2.189 -8.560 -7.226 1.00 0.00 C ATOM 1370 CD LYS A 83 1.636 -9.978 -7.153 1.00 0.00 C ATOM 1371 CE LYS A 83 1.006 -10.423 -8.462 1.00 0.00 C ATOM 1372 NZ LYS A 83 2.027 -10.636 -9.523 1.00 0.00 N ATOM 0 H LYS A 83 2.896 -7.263 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 83 2.220 -5.733 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.678 -7.935 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.406 -7.400 -7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.464 -8.328 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.099 -8.492 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.440 -10.665 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.893 -10.035 -6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.450 -11.347 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.288 -9.672 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.995 -9.846 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.972 -10.684 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.829 -11.527 -10.022 1.00 0.00 H new ATOM 1386 N HIS A 84 0.584 -5.113 -4.549 1.00 0.00 N ATOM 1387 CA HIS A 84 -0.441 -4.253 -3.964 1.00 0.00 C ATOM 1388 C HIS A 84 0.055 -2.829 -3.737 1.00 0.00 C ATOM 1389 O HIS A 84 -0.684 -1.875 -3.952 1.00 0.00 O ATOM 1390 CB HIS A 84 -0.946 -4.822 -2.636 1.00 0.00 C ATOM 1391 CG HIS A 84 -1.797 -6.042 -2.784 1.00 0.00 C ATOM 1392 ND1 HIS A 84 -1.829 -7.053 -1.848 1.00 0.00 N ATOM 1393 CD2 HIS A 84 -2.663 -6.407 -3.758 1.00 0.00 C ATOM 1394 CE1 HIS A 84 -2.677 -7.986 -2.242 1.00 0.00 C ATOM 1395 NE2 HIS A 84 -3.195 -7.616 -3.397 1.00 0.00 N ATOM 0 H HIS A 84 1.177 -5.593 -3.872 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.258 -4.222 -4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -0.090 -5.063 -2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.518 -4.053 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.892 -5.848 -4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.907 -8.897 -1.709 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -3.881 -8.145 -3.935 1.00 0.00 H new ATOM 1404 N LEU A 85 1.292 -2.687 -3.289 1.00 0.00 N ATOM 1405 CA LEU A 85 1.807 -1.378 -2.904 1.00 0.00 C ATOM 1406 C LEU A 85 2.457 -0.659 -4.082 1.00 0.00 C ATOM 1407 O LEU A 85 2.250 0.536 -4.268 1.00 0.00 O ATOM 1408 CB LEU A 85 2.793 -1.521 -1.742 1.00 0.00 C ATOM 1409 CG LEU A 85 2.196 -2.125 -0.466 1.00 0.00 C ATOM 1410 CD1 LEU A 85 3.263 -2.287 0.601 1.00 0.00 C ATOM 1411 CD2 LEU A 85 1.055 -1.259 0.050 1.00 0.00 C ATOM 0 H LEU A 85 1.956 -3.454 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 85 0.965 -0.768 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.628 -2.143 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.201 -0.538 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 85 1.801 -3.112 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.818 -2.717 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.048 -2.947 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.690 -1.313 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.643 -1.703 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.429 -0.260 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.276 -1.194 -0.709 1.00 0.00 H new ATOM 1423 N LEU A 86 3.238 -1.376 -4.876 1.00 0.00 N ATOM 1424 CA LEU A 86 3.860 -0.772 -6.048 1.00 0.00 C ATOM 1425 C LEU A 86 3.026 -1.044 -7.292 1.00 0.00 C ATOM 1426 O LEU A 86 3.124 -0.332 -8.292 1.00 0.00 O ATOM 1427 CB LEU A 86 5.291 -1.281 -6.234 1.00 0.00 C ATOM 1428 CG LEU A 86 6.282 -0.830 -5.155 1.00 0.00 C ATOM 1429 CD1 LEU A 86 7.690 -1.299 -5.487 1.00 0.00 C ATOM 1430 CD2 LEU A 86 6.254 0.683 -4.999 1.00 0.00 C ATOM 0 H LEU A 86 3.455 -2.363 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 86 3.906 0.306 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.273 -2.371 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.657 -0.947 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 86 5.981 -1.282 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.377 -0.968 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.706 -2.387 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.997 -0.878 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.964 0.983 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.526 1.151 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.252 1.001 -4.712 1.00 0.00 H new ATOM 1442 N GLY A 87 2.206 -2.081 -7.225 1.00 0.00 N ATOM 1443 CA GLY A 87 1.290 -2.366 -8.308 1.00 0.00 C ATOM 1444 C GLY A 87 1.904 -3.216 -9.399 1.00 0.00 C ATOM 1445 O GLY A 87 1.404 -3.246 -10.518 1.00 0.00 O ATOM 0 H GLY A 87 2.159 -2.730 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.413 -2.876 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.944 -1.427 -8.739 1.00 0.00 H new ATOM 1449 N ARG A 88 2.995 -3.901 -9.094 1.00 0.00 N ATOM 1450 CA ARG A 88 3.604 -4.813 -10.054 1.00 0.00 C ATOM 1451 C ARG A 88 4.434 -5.866 -9.343 1.00 0.00 C ATOM 1452 O ARG A 88 4.554 -5.845 -8.122 1.00 0.00 O ATOM 1453 CB ARG A 88 4.460 -4.075 -11.102 1.00 0.00 C ATOM 1454 CG ARG A 88 5.595 -3.218 -10.548 1.00 0.00 C ATOM 1455 CD ARG A 88 5.112 -1.835 -10.137 1.00 0.00 C ATOM 1456 NE ARG A 88 6.157 -0.822 -10.271 1.00 0.00 N ATOM 1457 CZ ARG A 88 5.915 0.488 -10.368 1.00 0.00 C ATOM 1458 NH1 ARG A 88 4.678 0.955 -10.232 1.00 0.00 N ATOM 1459 NH2 ARG A 88 6.915 1.337 -10.568 1.00 0.00 N ATOM 0 H ARG A 88 3.476 -3.845 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 88 2.789 -5.302 -10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.886 -4.814 -11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.805 -3.437 -11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.041 -3.718 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.377 -3.121 -11.301 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.256 -1.554 -10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.768 -1.865 -9.103 1.00 0.00 H new ATOM 0 HE ARG A 88 7.128 -1.134 -10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.907 0.312 -10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.500 1.957 -10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.871 0.990 -10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.728 2.337 -10.642 1.00 0.00 H new ATOM 1473 N ALA A 89 4.986 -6.790 -10.108 1.00 0.00 N ATOM 1474 CA ALA A 89 5.801 -7.856 -9.552 1.00 0.00 C ATOM 1475 C ALA A 89 7.261 -7.423 -9.494 1.00 0.00 C ATOM 1476 O ALA A 89 7.663 -6.517 -10.225 1.00 0.00 O ATOM 1477 CB ALA A 89 5.649 -9.121 -10.388 1.00 0.00 C ATOM 0 H ALA A 89 4.884 -6.824 -11.122 1.00 0.00 H new ATOM 0 HA ALA A 89 5.464 -8.069 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.264 -9.914 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.605 -9.433 -10.389 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.970 -8.922 -11.411 1.00 0.00 H new ATOM 1483 N PRO A 90 8.068 -8.046 -8.614 1.00 0.00 N ATOM 1484 CA PRO A 90 9.498 -7.749 -8.513 1.00 0.00 C ATOM 1485 C PRO A 90 10.195 -7.862 -9.862 1.00 0.00 C ATOM 1486 O PRO A 90 9.874 -8.743 -10.668 1.00 0.00 O ATOM 1487 CB PRO A 90 10.024 -8.813 -7.548 1.00 0.00 C ATOM 1488 CG PRO A 90 8.840 -9.206 -6.735 1.00 0.00 C ATOM 1489 CD PRO A 90 7.650 -9.079 -7.645 1.00 0.00 C ATOM 0 HA PRO A 90 9.682 -6.730 -8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.436 -9.667 -8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.822 -8.418 -6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.942 -10.227 -6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.734 -8.561 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.419 -10.023 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.756 -8.779 -7.098 1.00 0.00 H new ATOM 1497 N TYR A 91 11.140 -6.971 -10.112 1.00 0.00 N ATOM 1498 CA TYR A 91 11.827 -6.938 -11.391 1.00 0.00 C ATOM 1499 C TYR A 91 12.877 -8.034 -11.436 1.00 0.00 C ATOM 1500 O TYR A 91 13.137 -8.629 -12.483 1.00 0.00 O ATOM 1501 CB TYR A 91 12.466 -5.568 -11.620 1.00 0.00 C ATOM 1502 CG TYR A 91 11.482 -4.426 -11.490 1.00 0.00 C ATOM 1503 CD1 TYR A 91 10.494 -4.220 -12.448 1.00 0.00 C ATOM 1504 CD2 TYR A 91 11.539 -3.557 -10.408 1.00 0.00 C ATOM 1505 CE1 TYR A 91 9.591 -3.181 -12.326 1.00 0.00 C ATOM 1506 CE2 TYR A 91 10.639 -2.517 -10.280 1.00 0.00 C ATOM 1507 CZ TYR A 91 9.668 -2.333 -11.241 1.00 0.00 C ATOM 1508 OH TYR A 91 8.774 -1.295 -11.117 1.00 0.00 O ATOM 0 H TYR A 91 11.448 -6.262 -9.447 1.00 0.00 H new ATOM 0 HA TYR A 91 11.104 -7.110 -12.188 1.00 0.00 H new ATOM 0 HB2 TYR A 91 13.275 -5.426 -10.903 1.00 0.00 H new ATOM 0 HB3 TYR A 91 12.913 -5.544 -12.614 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.432 -4.882 -13.299 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.300 -3.697 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.829 -3.034 -13.077 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.696 -1.851 -9.431 1.00 0.00 H new ATOM 0 HH TYR A 91 8.157 -1.302 -11.878 1.00 0.00 H new ATOM 1518 N ASP A 92 13.460 -8.309 -10.282 1.00 0.00 N ATOM 1519 CA ASP A 92 14.435 -9.377 -10.154 1.00 0.00 C ATOM 1520 C ASP A 92 14.319 -9.995 -8.771 1.00 0.00 C ATOM 1521 O ASP A 92 13.802 -9.361 -7.848 1.00 0.00 O ATOM 1522 CB ASP A 92 15.848 -8.841 -10.382 1.00 0.00 C ATOM 1523 CG ASP A 92 16.846 -9.943 -10.664 1.00 0.00 C ATOM 1524 OD1 ASP A 92 17.365 -10.551 -9.705 1.00 0.00 O ATOM 1525 OD2 ASP A 92 17.115 -10.205 -11.853 1.00 0.00 O ATOM 0 H ASP A 92 13.273 -7.804 -9.416 1.00 0.00 H new ATOM 0 HA ASP A 92 14.237 -10.139 -10.908 1.00 0.00 H new ATOM 0 HB2 ASP A 92 15.838 -8.142 -11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 92 16.168 -8.282 -9.503 1.00 0.00 H new ATOM 1530 N GLU A 93 14.794 -11.222 -8.613 1.00 0.00 N ATOM 1531 CA GLU A 93 14.694 -11.900 -7.331 1.00 0.00 C ATOM 1532 C GLU A 93 15.711 -11.334 -6.346 1.00 0.00 C ATOM 1533 O GLU A 93 15.651 -11.619 -5.152 1.00 0.00 O ATOM 1534 CB GLU A 93 14.863 -13.412 -7.487 1.00 0.00 C ATOM 1535 CG GLU A 93 16.216 -13.842 -8.023 1.00 0.00 C ATOM 1536 CD GLU A 93 16.323 -15.346 -8.142 1.00 0.00 C ATOM 1537 OE1 GLU A 93 16.567 -16.012 -7.114 1.00 0.00 O ATOM 1538 OE2 GLU A 93 16.147 -15.872 -9.258 1.00 0.00 O ATOM 0 H GLU A 93 15.248 -11.763 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 93 13.695 -11.722 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.703 -13.885 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.087 -13.785 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.380 -13.388 -9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.002 -13.473 -7.364 1.00 0.00 H new ATOM 1545 N SER A 94 16.632 -10.521 -6.852 1.00 0.00 N ATOM 1546 CA SER A 94 17.565 -9.791 -6.005 1.00 0.00 C ATOM 1547 C SER A 94 16.798 -8.877 -5.050 1.00 0.00 C ATOM 1548 O SER A 94 17.153 -8.736 -3.874 1.00 0.00 O ATOM 1549 CB SER A 94 18.516 -8.969 -6.875 1.00 0.00 C ATOM 1550 OG SER A 94 17.787 -8.141 -7.767 1.00 0.00 O ATOM 0 H SER A 94 16.752 -10.351 -7.851 1.00 0.00 H new ATOM 0 HA SER A 94 18.147 -10.501 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.157 -8.355 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 94 19.168 -9.635 -7.440 1.00 0.00 H new ATOM 0 HG SER A 94 18.411 -7.621 -8.315 1.00 0.00 H new ATOM 1556 N GLU A 95 15.729 -8.268 -5.563 1.00 0.00 N ATOM 1557 CA GLU A 95 14.857 -7.438 -4.746 1.00 0.00 C ATOM 1558 C GLU A 95 14.178 -8.298 -3.695 1.00 0.00 C ATOM 1559 O GLU A 95 14.031 -7.897 -2.541 1.00 0.00 O ATOM 1560 CB GLU A 95 13.795 -6.751 -5.603 1.00 0.00 C ATOM 1561 CG GLU A 95 14.354 -5.973 -6.782 1.00 0.00 C ATOM 1562 CD GLU A 95 13.291 -5.141 -7.467 1.00 0.00 C ATOM 1563 OE1 GLU A 95 12.323 -5.725 -8.001 1.00 0.00 O ATOM 1564 OE2 GLU A 95 13.413 -3.899 -7.461 1.00 0.00 O ATOM 0 H GLU A 95 15.450 -8.337 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 95 15.463 -6.670 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.101 -7.505 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.220 -6.072 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.158 -5.322 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.790 -6.667 -7.500 1.00 0.00 H new ATOM 1571 N VAL A 96 13.786 -9.497 -4.105 1.00 0.00 N ATOM 1572 CA VAL A 96 13.161 -10.450 -3.206 1.00 0.00 C ATOM 1573 C VAL A 96 14.114 -10.814 -2.073 1.00 0.00 C ATOM 1574 O VAL A 96 13.723 -10.834 -0.912 1.00 0.00 O ATOM 1575 CB VAL A 96 12.731 -11.730 -3.951 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.069 -12.716 -3.002 1.00 0.00 C ATOM 1577 CG2 VAL A 96 11.798 -11.387 -5.102 1.00 0.00 C ATOM 0 H VAL A 96 13.892 -9.832 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 96 12.270 -9.977 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 96 13.625 -12.202 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.775 -13.610 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.771 -12.989 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.186 -12.257 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.504 -12.302 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.910 -10.888 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.310 -10.726 -5.801 1.00 0.00 H new ATOM 1587 N ILE A 97 15.372 -11.075 -2.421 1.00 0.00 N ATOM 1588 CA ILE A 97 16.402 -11.392 -1.435 1.00 0.00 C ATOM 1589 C ILE A 97 16.524 -10.272 -0.400 1.00 0.00 C ATOM 1590 O ILE A 97 16.585 -10.528 0.805 1.00 0.00 O ATOM 1591 CB ILE A 97 17.770 -11.623 -2.113 1.00 0.00 C ATOM 1592 CG1 ILE A 97 17.681 -12.801 -3.084 1.00 0.00 C ATOM 1593 CG2 ILE A 97 18.852 -11.871 -1.071 1.00 0.00 C ATOM 1594 CD1 ILE A 97 18.966 -13.070 -3.835 1.00 0.00 C ATOM 0 H ILE A 97 15.704 -11.073 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 97 16.102 -12.311 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 97 18.037 -10.726 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 97 17.401 -13.697 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 97 16.884 -12.608 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.808 -12.031 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.927 -11.006 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 97 18.597 -12.753 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 97 18.826 -13.919 -4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.238 -12.190 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 97 19.762 -13.295 -3.125 1.00 0.00 H new ATOM 1606 N PHE A 98 16.542 -9.031 -0.881 1.00 0.00 N ATOM 1607 CA PHE A 98 16.587 -7.863 -0.005 1.00 0.00 C ATOM 1608 C PHE A 98 15.384 -7.844 0.934 1.00 0.00 C ATOM 1609 O PHE A 98 15.522 -7.590 2.131 1.00 0.00 O ATOM 1610 CB PHE A 98 16.636 -6.575 -0.839 1.00 0.00 C ATOM 1611 CG PHE A 98 16.468 -5.317 -0.031 1.00 0.00 C ATOM 1612 CD1 PHE A 98 17.451 -4.916 0.859 1.00 0.00 C ATOM 1613 CD2 PHE A 98 15.325 -4.544 -0.155 1.00 0.00 C ATOM 1614 CE1 PHE A 98 17.298 -3.766 1.610 1.00 0.00 C ATOM 1615 CE2 PHE A 98 15.166 -3.394 0.595 1.00 0.00 C ATOM 1616 CZ PHE A 98 16.155 -3.005 1.479 1.00 0.00 C ATOM 0 H PHE A 98 16.526 -8.808 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 98 17.491 -7.922 0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 98 17.589 -6.532 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 98 15.854 -6.615 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 98 18.347 -5.509 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 98 14.550 -4.843 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 98 18.073 -3.463 2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 98 14.270 -2.800 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 98 16.033 -2.107 2.066 1.00 0.00 H new ATOM 1626 N HIS A 99 14.209 -8.135 0.392 1.00 0.00 N ATOM 1627 CA HIS A 99 12.983 -8.107 1.179 1.00 0.00 C ATOM 1628 C HIS A 99 12.918 -9.284 2.145 1.00 0.00 C ATOM 1629 O HIS A 99 12.403 -9.151 3.246 1.00 0.00 O ATOM 1630 CB HIS A 99 11.752 -8.076 0.272 1.00 0.00 C ATOM 1631 CG HIS A 99 11.476 -6.716 -0.295 1.00 0.00 C ATOM 1632 ND1 HIS A 99 10.566 -5.854 0.262 1.00 0.00 N ATOM 1633 CD2 HIS A 99 12.007 -6.066 -1.357 1.00 0.00 C ATOM 1634 CE1 HIS A 99 10.546 -4.730 -0.427 1.00 0.00 C ATOM 1635 NE2 HIS A 99 11.414 -4.833 -1.417 1.00 0.00 N ATOM 0 H HIS A 99 14.079 -8.392 -0.586 1.00 0.00 H new ATOM 0 HA HIS A 99 12.990 -7.192 1.771 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.892 -8.783 -0.546 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.882 -8.411 0.837 1.00 0.00 H new ATOM 0 HD1 HIS A 99 9.993 -6.052 1.082 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.759 -6.449 -2.032 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.925 -3.871 -0.217 1.00 0.00 H new ATOM 1644 N LEU A 100 13.447 -10.430 1.732 1.00 0.00 N ATOM 1645 CA LEU A 100 13.538 -11.592 2.610 1.00 0.00 C ATOM 1646 C LEU A 100 14.385 -11.256 3.831 1.00 0.00 C ATOM 1647 O LEU A 100 13.989 -11.506 4.967 1.00 0.00 O ATOM 1648 CB LEU A 100 14.150 -12.786 1.870 1.00 0.00 C ATOM 1649 CG LEU A 100 13.265 -13.424 0.798 1.00 0.00 C ATOM 1650 CD1 LEU A 100 14.073 -14.402 -0.041 1.00 0.00 C ATOM 1651 CD2 LEU A 100 12.079 -14.132 1.437 1.00 0.00 C ATOM 0 H LEU A 100 13.820 -10.580 0.794 1.00 0.00 H new ATOM 0 HA LEU A 100 12.531 -11.860 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 100 15.080 -12.463 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 100 14.410 -13.550 2.603 1.00 0.00 H new ATOM 0 HG LEU A 100 12.887 -12.635 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 100 13.430 -14.848 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.894 -13.874 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.475 -15.186 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 100 11.460 -14.580 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.439 -14.912 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 100 11.487 -13.412 2.002 1.00 0.00 H new ATOM 1663 N ASP A 101 15.551 -10.675 3.572 1.00 0.00 N ATOM 1664 CA ASP A 101 16.457 -10.235 4.630 1.00 0.00 C ATOM 1665 C ASP A 101 15.759 -9.249 5.564 1.00 0.00 C ATOM 1666 O ASP A 101 15.800 -9.398 6.788 1.00 0.00 O ATOM 1667 CB ASP A 101 17.699 -9.586 4.011 1.00 0.00 C ATOM 1668 CG ASP A 101 18.614 -8.952 5.038 1.00 0.00 C ATOM 1669 OD1 ASP A 101 19.497 -9.653 5.568 1.00 0.00 O ATOM 1670 OD2 ASP A 101 18.473 -7.741 5.296 1.00 0.00 O ATOM 0 H ASP A 101 15.895 -10.496 2.629 1.00 0.00 H new ATOM 0 HA ASP A 101 16.759 -11.104 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.256 -10.340 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.386 -8.827 3.295 1.00 0.00 H new ATOM 1675 N LEU A 102 15.104 -8.262 4.969 1.00 0.00 N ATOM 1676 CA LEU A 102 14.364 -7.248 5.713 1.00 0.00 C ATOM 1677 C LEU A 102 13.248 -7.889 6.545 1.00 0.00 C ATOM 1678 O LEU A 102 13.076 -7.580 7.727 1.00 0.00 O ATOM 1679 CB LEU A 102 13.777 -6.231 4.725 1.00 0.00 C ATOM 1680 CG LEU A 102 13.049 -5.039 5.345 1.00 0.00 C ATOM 1681 CD1 LEU A 102 14.004 -4.210 6.185 1.00 0.00 C ATOM 1682 CD2 LEU A 102 12.414 -4.183 4.260 1.00 0.00 C ATOM 0 H LEU A 102 15.070 -8.140 3.957 1.00 0.00 H new ATOM 0 HA LEU A 102 15.043 -6.742 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.586 -5.853 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.083 -6.753 4.066 1.00 0.00 H new ATOM 0 HG LEU A 102 12.259 -5.417 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.468 -3.366 6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.416 -4.827 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.815 -3.841 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.899 -3.338 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.188 -3.815 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.698 -4.782 3.696 1.00 0.00 H new ATOM 1694 N TYR A 103 12.517 -8.800 5.917 1.00 0.00 N ATOM 1695 CA TYR A 103 11.387 -9.474 6.543 1.00 0.00 C ATOM 1696 C TYR A 103 11.824 -10.372 7.703 1.00 0.00 C ATOM 1697 O TYR A 103 11.136 -10.459 8.716 1.00 0.00 O ATOM 1698 CB TYR A 103 10.631 -10.289 5.484 1.00 0.00 C ATOM 1699 CG TYR A 103 9.593 -11.236 6.040 1.00 0.00 C ATOM 1700 CD1 TYR A 103 8.383 -10.765 6.532 1.00 0.00 C ATOM 1701 CD2 TYR A 103 9.827 -12.604 6.065 1.00 0.00 C ATOM 1702 CE1 TYR A 103 7.433 -11.635 7.035 1.00 0.00 C ATOM 1703 CE2 TYR A 103 8.885 -13.478 6.564 1.00 0.00 C ATOM 1704 CZ TYR A 103 7.691 -12.991 7.049 1.00 0.00 C ATOM 1705 OH TYR A 103 6.751 -13.866 7.547 1.00 0.00 O ATOM 0 H TYR A 103 12.691 -9.094 4.956 1.00 0.00 H new ATOM 0 HA TYR A 103 10.727 -8.714 6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 103 10.143 -9.600 4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 103 11.353 -10.863 4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 103 8.181 -9.704 6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 103 10.762 -12.990 5.687 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.495 -11.256 7.414 1.00 0.00 H new ATOM 0 HE2 TYR A 103 9.082 -14.540 6.575 1.00 0.00 H new ATOM 0 HH TYR A 103 5.854 -13.499 7.403 1.00 0.00 H new ATOM 1715 N GLU A 104 12.959 -11.038 7.563 1.00 0.00 N ATOM 1716 CA GLU A 104 13.413 -11.957 8.601 1.00 0.00 C ATOM 1717 C GLU A 104 14.127 -11.227 9.737 1.00 0.00 C ATOM 1718 O GLU A 104 14.030 -11.633 10.897 1.00 0.00 O ATOM 1719 CB GLU A 104 14.318 -13.039 8.016 1.00 0.00 C ATOM 1720 CG GLU A 104 13.617 -13.923 6.997 1.00 0.00 C ATOM 1721 CD GLU A 104 14.397 -15.179 6.679 1.00 0.00 C ATOM 1722 OE1 GLU A 104 15.443 -15.082 6.007 1.00 0.00 O ATOM 1723 OE2 GLU A 104 13.967 -16.272 7.108 1.00 0.00 O ATOM 0 H GLU A 104 13.577 -10.964 6.755 1.00 0.00 H new ATOM 0 HA GLU A 104 12.524 -12.431 9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.180 -12.566 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.699 -13.661 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.633 -14.198 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.458 -13.357 6.079 1.00 0.00 H new ATOM 1730 N ASN A 105 14.839 -10.153 9.417 1.00 0.00 N ATOM 1731 CA ASN A 105 15.565 -9.404 10.441 1.00 0.00 C ATOM 1732 C ASN A 105 14.646 -8.444 11.183 1.00 0.00 C ATOM 1733 O ASN A 105 14.476 -8.555 12.395 1.00 0.00 O ATOM 1734 CB ASN A 105 16.744 -8.628 9.844 1.00 0.00 C ATOM 1735 CG ASN A 105 17.957 -9.501 9.595 1.00 0.00 C ATOM 1736 OD1 ASN A 105 18.769 -9.726 10.494 1.00 0.00 O ATOM 1737 ND2 ASN A 105 18.103 -9.980 8.373 1.00 0.00 N ATOM 0 H ASN A 105 14.930 -9.783 8.471 1.00 0.00 H new ATOM 0 HA ASN A 105 15.954 -10.137 11.148 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.433 -8.170 8.905 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.018 -7.817 10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.911 -10.560 8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.408 -9.770 7.657 1.00 0.00 H new ATOM 1744 N GLU A 106 14.025 -7.528 10.454 1.00 0.00 N ATOM 1745 CA GLU A 106 13.219 -6.489 11.078 1.00 0.00 C ATOM 1746 C GLU A 106 11.751 -6.892 11.145 1.00 0.00 C ATOM 1747 O GLU A 106 11.042 -6.532 12.084 1.00 0.00 O ATOM 1748 CB GLU A 106 13.391 -5.165 10.332 1.00 0.00 C ATOM 1749 CG GLU A 106 14.822 -4.651 10.361 1.00 0.00 C ATOM 1750 CD GLU A 106 14.971 -3.262 9.775 1.00 0.00 C ATOM 1751 OE1 GLU A 106 14.480 -2.295 10.397 1.00 0.00 O ATOM 1752 OE2 GLU A 106 15.599 -3.124 8.707 1.00 0.00 O ATOM 0 H GLU A 106 14.063 -7.483 9.436 1.00 0.00 H new ATOM 0 HA GLU A 106 13.568 -6.357 12.102 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.078 -5.294 9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.733 -4.417 10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 106 15.177 -4.643 11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.460 -5.341 9.809 1.00 0.00 H new ATOM 1759 N GLY A 107 11.298 -7.645 10.156 1.00 0.00 N ATOM 1760 CA GLY A 107 9.945 -8.159 10.189 1.00 0.00 C ATOM 1761 C GLY A 107 9.086 -7.627 9.061 1.00 0.00 C ATOM 1762 O GLY A 107 9.527 -6.783 8.277 1.00 0.00 O ATOM 0 H GLY A 107 11.840 -7.909 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.974 -9.247 10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 107 9.486 -7.899 11.143 1.00 0.00 H new ATOM 1766 N PHE A 108 7.850 -8.115 8.992 1.00 0.00 N ATOM 1767 CA PHE A 108 6.898 -7.687 7.968 1.00 0.00 C ATOM 1768 C PHE A 108 6.578 -6.204 8.113 1.00 0.00 C ATOM 1769 O PHE A 108 6.199 -5.543 7.148 1.00 0.00 O ATOM 1770 CB PHE A 108 5.612 -8.522 8.045 1.00 0.00 C ATOM 1771 CG PHE A 108 4.963 -8.540 9.408 1.00 0.00 C ATOM 1772 CD1 PHE A 108 5.325 -9.490 10.351 1.00 0.00 C ATOM 1773 CD2 PHE A 108 3.994 -7.605 9.743 1.00 0.00 C ATOM 1774 CE1 PHE A 108 4.732 -9.510 11.599 1.00 0.00 C ATOM 1775 CE2 PHE A 108 3.399 -7.622 10.990 1.00 0.00 C ATOM 1776 CZ PHE A 108 3.770 -8.574 11.919 1.00 0.00 C ATOM 0 H PHE A 108 7.481 -8.813 9.638 1.00 0.00 H new ATOM 0 HA PHE A 108 7.356 -7.845 6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.897 -8.134 7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.840 -9.546 7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.080 -10.223 10.107 1.00 0.00 H new ATOM 0 HD2 PHE A 108 3.702 -6.856 9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 108 5.021 -10.257 12.323 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.644 -6.891 11.238 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.308 -8.586 12.895 1.00 0.00 H new ATOM 1786 N ASP A 109 6.747 -5.692 9.329 1.00 0.00 N ATOM 1787 CA ASP A 109 6.547 -4.276 9.615 1.00 0.00 C ATOM 1788 C ASP A 109 7.413 -3.421 8.700 1.00 0.00 C ATOM 1789 O ASP A 109 6.927 -2.488 8.062 1.00 0.00 O ATOM 1790 CB ASP A 109 6.888 -3.983 11.080 1.00 0.00 C ATOM 1791 CG ASP A 109 6.935 -2.498 11.390 1.00 0.00 C ATOM 1792 OD1 ASP A 109 5.864 -1.867 11.473 1.00 0.00 O ATOM 1793 OD2 ASP A 109 8.047 -1.955 11.551 1.00 0.00 O ATOM 0 H ASP A 109 7.025 -6.245 10.140 1.00 0.00 H new ATOM 0 HA ASP A 109 5.500 -4.030 9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 109 6.148 -4.460 11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.853 -4.430 11.320 1.00 0.00 H new ATOM 1798 N ALA A 110 8.689 -3.775 8.613 1.00 0.00 N ATOM 1799 CA ALA A 110 9.639 -3.023 7.810 1.00 0.00 C ATOM 1800 C ALA A 110 9.458 -3.313 6.325 1.00 0.00 C ATOM 1801 O ALA A 110 9.625 -2.423 5.490 1.00 0.00 O ATOM 1802 CB ALA A 110 11.064 -3.337 8.243 1.00 0.00 C ATOM 0 H ALA A 110 9.089 -4.582 9.092 1.00 0.00 H new ATOM 0 HA ALA A 110 9.449 -1.962 7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.764 -2.766 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.193 -3.068 9.291 1.00 0.00 H new ATOM 0 HB3 ALA A 110 11.257 -4.402 8.116 1.00 0.00 H new ATOM 1808 N ASP A 111 9.108 -4.557 5.999 1.00 0.00 N ATOM 1809 CA ASP A 111 8.905 -4.950 4.605 1.00 0.00 C ATOM 1810 C ASP A 111 7.805 -4.117 3.963 1.00 0.00 C ATOM 1811 O ASP A 111 8.036 -3.432 2.967 1.00 0.00 O ATOM 1812 CB ASP A 111 8.557 -6.436 4.484 1.00 0.00 C ATOM 1813 CG ASP A 111 8.252 -6.833 3.048 1.00 0.00 C ATOM 1814 OD1 ASP A 111 9.185 -6.817 2.217 1.00 0.00 O ATOM 1815 OD2 ASP A 111 7.082 -7.155 2.750 1.00 0.00 O ATOM 0 H ASP A 111 8.960 -5.305 6.676 1.00 0.00 H new ATOM 0 HA ASP A 111 9.844 -4.771 4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.388 -7.035 4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 111 7.695 -6.659 5.113 1.00 0.00 H new ATOM 1820 N ILE A 112 6.618 -4.159 4.552 1.00 0.00 N ATOM 1821 CA ILE A 112 5.481 -3.410 4.036 1.00 0.00 C ATOM 1822 C ILE A 112 5.760 -1.909 4.069 1.00 0.00 C ATOM 1823 O ILE A 112 5.395 -1.174 3.150 1.00 0.00 O ATOM 1824 CB ILE A 112 4.201 -3.710 4.848 1.00 0.00 C ATOM 1825 CG1 ILE A 112 3.923 -5.216 4.869 1.00 0.00 C ATOM 1826 CG2 ILE A 112 3.009 -2.954 4.274 1.00 0.00 C ATOM 1827 CD1 ILE A 112 2.744 -5.601 5.735 1.00 0.00 C ATOM 0 H ILE A 112 6.417 -4.705 5.390 1.00 0.00 H new ATOM 0 HA ILE A 112 5.326 -3.724 3.004 1.00 0.00 H new ATOM 0 HB ILE A 112 4.357 -3.372 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.742 -5.558 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.811 -5.736 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.118 -3.180 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.206 -1.883 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.849 -3.258 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.606 -6.682 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 112 2.931 -5.290 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.845 -5.109 5.365 1.00 0.00 H new ATOM 1839 N ASP A 113 6.440 -1.466 5.118 1.00 0.00 N ATOM 1840 CA ASP A 113 6.699 -0.045 5.323 1.00 0.00 C ATOM 1841 C ASP A 113 7.643 0.508 4.259 1.00 0.00 C ATOM 1842 O ASP A 113 7.504 1.654 3.841 1.00 0.00 O ATOM 1843 CB ASP A 113 7.298 0.178 6.710 1.00 0.00 C ATOM 1844 CG ASP A 113 6.929 1.521 7.307 1.00 0.00 C ATOM 1845 OD1 ASP A 113 5.809 1.633 7.855 1.00 0.00 O ATOM 1846 OD2 ASP A 113 7.756 2.451 7.265 1.00 0.00 O ATOM 0 H ASP A 113 6.824 -2.072 5.843 1.00 0.00 H new ATOM 0 HA ASP A 113 5.750 0.485 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.960 -0.615 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.383 0.101 6.647 1.00 0.00 H new ATOM 1851 N SER A 114 8.584 -0.322 3.802 1.00 0.00 N ATOM 1852 CA SER A 114 9.612 0.121 2.859 1.00 0.00 C ATOM 1853 C SER A 114 8.998 0.675 1.570 1.00 0.00 C ATOM 1854 O SER A 114 9.466 1.679 1.035 1.00 0.00 O ATOM 1855 CB SER A 114 10.580 -1.025 2.538 1.00 0.00 C ATOM 1856 OG SER A 114 9.943 -2.058 1.801 1.00 0.00 O ATOM 0 H SER A 114 8.655 -1.304 4.070 1.00 0.00 H new ATOM 0 HA SER A 114 10.167 0.929 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.425 -0.639 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.981 -1.434 3.466 1.00 0.00 H new ATOM 0 HG SER A 114 9.247 -2.472 2.353 1.00 0.00 H new ATOM 1862 N TYR A 115 7.939 0.027 1.088 1.00 0.00 N ATOM 1863 CA TYR A 115 7.268 0.454 -0.138 1.00 0.00 C ATOM 1864 C TYR A 115 6.648 1.836 0.043 1.00 0.00 C ATOM 1865 O TYR A 115 6.672 2.671 -0.859 1.00 0.00 O ATOM 1866 CB TYR A 115 6.159 -0.528 -0.524 1.00 0.00 C ATOM 1867 CG TYR A 115 6.617 -1.943 -0.805 1.00 0.00 C ATOM 1868 CD1 TYR A 115 7.014 -2.324 -2.079 1.00 0.00 C ATOM 1869 CD2 TYR A 115 6.619 -2.904 0.197 1.00 0.00 C ATOM 1870 CE1 TYR A 115 7.399 -3.623 -2.347 1.00 0.00 C ATOM 1871 CE2 TYR A 115 7.007 -4.204 -0.062 1.00 0.00 C ATOM 1872 CZ TYR A 115 7.394 -4.559 -1.336 1.00 0.00 C ATOM 1873 OH TYR A 115 7.776 -5.856 -1.602 1.00 0.00 O ATOM 0 H TYR A 115 7.527 -0.796 1.528 1.00 0.00 H new ATOM 0 HA TYR A 115 8.019 0.485 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.424 -0.555 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.650 -0.146 -1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.022 -1.593 -2.874 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.312 -2.630 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.703 -3.904 -3.345 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.007 -4.938 0.730 1.00 0.00 H new ATOM 0 HH TYR A 115 7.847 -5.984 -2.571 1.00 0.00 H new ATOM 1883 N ILE A 116 6.122 2.067 1.234 1.00 0.00 N ATOM 1884 CA ILE A 116 5.308 3.242 1.511 1.00 0.00 C ATOM 1885 C ILE A 116 6.167 4.407 2.001 1.00 0.00 C ATOM 1886 O ILE A 116 5.734 5.562 2.006 1.00 0.00 O ATOM 1887 CB ILE A 116 4.233 2.887 2.565 1.00 0.00 C ATOM 1888 CG1 ILE A 116 3.499 1.611 2.137 1.00 0.00 C ATOM 1889 CG2 ILE A 116 3.245 4.030 2.747 1.00 0.00 C ATOM 1890 CD1 ILE A 116 2.579 1.049 3.195 1.00 0.00 C ATOM 0 H ILE A 116 6.246 1.448 2.035 1.00 0.00 H new ATOM 0 HA ILE A 116 4.823 3.554 0.586 1.00 0.00 H new ATOM 0 HB ILE A 116 4.726 2.718 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.918 1.822 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.235 0.853 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.501 3.752 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.777 4.921 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.748 4.236 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.097 0.148 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.156 0.805 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.819 1.789 3.446 1.00 0.00 H new ATOM 1902 N ASP A 117 7.397 4.100 2.387 1.00 0.00 N ATOM 1903 CA ASP A 117 8.315 5.105 2.918 1.00 0.00 C ATOM 1904 C ASP A 117 8.876 5.984 1.801 1.00 0.00 C ATOM 1905 O ASP A 117 9.398 7.071 2.056 1.00 0.00 O ATOM 1906 CB ASP A 117 9.456 4.420 3.686 1.00 0.00 C ATOM 1907 CG ASP A 117 10.414 5.403 4.333 1.00 0.00 C ATOM 1908 OD1 ASP A 117 9.961 6.251 5.125 1.00 0.00 O ATOM 1909 OD2 ASP A 117 11.637 5.317 4.070 1.00 0.00 O ATOM 0 H ASP A 117 7.787 3.158 2.343 1.00 0.00 H new ATOM 0 HA ASP A 117 7.761 5.748 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.032 3.775 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.011 3.777 3.003 1.00 0.00 H new ATOM 1914 N SER A 118 8.745 5.526 0.561 1.00 0.00 N ATOM 1915 CA SER A 118 9.253 6.273 -0.583 1.00 0.00 C ATOM 1916 C SER A 118 8.175 7.191 -1.166 1.00 0.00 C ATOM 1917 O SER A 118 7.197 6.725 -1.757 1.00 0.00 O ATOM 1918 CB SER A 118 9.756 5.317 -1.668 1.00 0.00 C ATOM 1919 OG SER A 118 10.278 6.032 -2.778 1.00 0.00 O ATOM 0 H SER A 118 8.293 4.643 0.323 1.00 0.00 H new ATOM 0 HA SER A 118 10.082 6.888 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.527 4.667 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.940 4.674 -1.997 1.00 0.00 H new ATOM 0 HG SER A 118 11.165 5.682 -3.005 1.00 0.00 H new ATOM 1925 N PRO A 119 8.344 8.513 -1.018 1.00 0.00 N ATOM 1926 CA PRO A 119 7.403 9.494 -1.565 1.00 0.00 C ATOM 1927 C PRO A 119 7.520 9.602 -3.083 1.00 0.00 C ATOM 1928 O PRO A 119 6.566 9.964 -3.767 1.00 0.00 O ATOM 1929 CB PRO A 119 7.827 10.802 -0.896 1.00 0.00 C ATOM 1930 CG PRO A 119 9.274 10.623 -0.596 1.00 0.00 C ATOM 1931 CD PRO A 119 9.466 9.157 -0.311 1.00 0.00 C ATOM 0 HA PRO A 119 6.364 9.226 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 119 7.662 11.655 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 119 7.254 10.985 0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 119 9.888 10.939 -1.439 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.572 11.228 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.428 8.800 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.437 8.950 0.759 1.00 0.00 H new ATOM 1939 N GLU A 120 8.698 9.260 -3.597 1.00 0.00 N ATOM 1940 CA GLU A 120 8.957 9.305 -5.028 1.00 0.00 C ATOM 1941 C GLU A 120 7.986 8.387 -5.762 1.00 0.00 C ATOM 1942 O GLU A 120 7.283 8.813 -6.681 1.00 0.00 O ATOM 1943 CB GLU A 120 10.403 8.887 -5.314 1.00 0.00 C ATOM 1944 CG GLU A 120 10.816 9.042 -6.770 1.00 0.00 C ATOM 1945 CD GLU A 120 10.853 10.490 -7.214 1.00 0.00 C ATOM 1946 OE1 GLU A 120 9.796 11.030 -7.596 1.00 0.00 O ATOM 1947 OE2 GLU A 120 11.943 11.099 -7.177 1.00 0.00 O ATOM 0 H GLU A 120 9.491 8.947 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 120 8.812 10.325 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 120 11.072 9.482 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 120 10.535 7.846 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.800 8.596 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.120 8.490 -7.402 1.00 0.00 H new ATOM 1954 N TYR A 121 7.932 7.131 -5.329 1.00 0.00 N ATOM 1955 CA TYR A 121 7.056 6.147 -5.951 1.00 0.00 C ATOM 1956 C TYR A 121 5.600 6.405 -5.593 1.00 0.00 C ATOM 1957 O TYR A 121 4.711 6.175 -6.408 1.00 0.00 O ATOM 1958 CB TYR A 121 7.467 4.726 -5.558 1.00 0.00 C ATOM 1959 CG TYR A 121 8.770 4.294 -6.188 1.00 0.00 C ATOM 1960 CD1 TYR A 121 8.800 3.776 -7.475 1.00 0.00 C ATOM 1961 CD2 TYR A 121 9.972 4.421 -5.504 1.00 0.00 C ATOM 1962 CE1 TYR A 121 9.989 3.391 -8.061 1.00 0.00 C ATOM 1963 CE2 TYR A 121 11.166 4.042 -6.084 1.00 0.00 C ATOM 1964 CZ TYR A 121 11.169 3.527 -7.363 1.00 0.00 C ATOM 1965 OH TYR A 121 12.356 3.154 -7.948 1.00 0.00 O ATOM 0 H TYR A 121 8.485 6.772 -4.550 1.00 0.00 H new ATOM 0 HA TYR A 121 7.159 6.245 -7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.557 4.666 -4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 121 6.680 4.032 -5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 121 7.878 3.672 -8.027 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.973 4.823 -4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.994 2.985 -9.062 1.00 0.00 H new ATOM 0 HE2 TYR A 121 12.092 4.148 -5.539 1.00 0.00 H new ATOM 0 HH TYR A 121 13.094 3.315 -7.323 1.00 0.00 H new ATOM 1975 N THR A 122 5.363 6.906 -4.384 1.00 0.00 N ATOM 1976 CA THR A 122 4.014 7.267 -3.962 1.00 0.00 C ATOM 1977 C THR A 122 3.416 8.304 -4.910 1.00 0.00 C ATOM 1978 O THR A 122 2.360 8.085 -5.507 1.00 0.00 O ATOM 1979 CB THR A 122 4.004 7.831 -2.527 1.00 0.00 C ATOM 1980 OG1 THR A 122 4.506 6.855 -1.603 1.00 0.00 O ATOM 1981 CG2 THR A 122 2.598 8.244 -2.113 1.00 0.00 C ATOM 0 H THR A 122 6.085 7.071 -3.682 1.00 0.00 H new ATOM 0 HA THR A 122 3.413 6.358 -3.985 1.00 0.00 H new ATOM 0 HB THR A 122 4.648 8.711 -2.510 1.00 0.00 H new ATOM 0 HG1 THR A 122 5.461 6.711 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 122 2.619 8.638 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.229 9.012 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.938 7.378 -2.152 1.00 0.00 H new ATOM 1989 N ASN A 123 4.120 9.417 -5.072 1.00 0.00 N ATOM 1990 CA ASN A 123 3.658 10.508 -5.922 1.00 0.00 C ATOM 1991 C ASN A 123 3.613 10.076 -7.388 1.00 0.00 C ATOM 1992 O ASN A 123 2.828 10.599 -8.178 1.00 0.00 O ATOM 1993 CB ASN A 123 4.582 11.721 -5.762 1.00 0.00 C ATOM 1994 CG ASN A 123 4.066 12.969 -6.460 1.00 0.00 C ATOM 1995 OD1 ASN A 123 4.845 13.747 -7.010 1.00 0.00 O ATOM 1996 ND2 ASN A 123 2.765 13.200 -6.407 1.00 0.00 N ATOM 0 H ASN A 123 5.019 9.589 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 123 2.648 10.780 -5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.710 11.934 -4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.567 11.473 -6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 123 2.379 14.044 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 123 2.147 12.534 -5.943 1.00 0.00 H new ATOM 2003 N SER A 124 4.445 9.103 -7.741 1.00 0.00 N ATOM 2004 CA SER A 124 4.546 8.638 -9.119 1.00 0.00 C ATOM 2005 C SER A 124 3.403 7.690 -9.487 1.00 0.00 C ATOM 2006 O SER A 124 3.147 7.461 -10.669 1.00 0.00 O ATOM 2007 CB SER A 124 5.892 7.939 -9.338 1.00 0.00 C ATOM 2008 OG SER A 124 6.057 7.527 -10.685 1.00 0.00 O ATOM 0 H SER A 124 5.062 8.619 -7.089 1.00 0.00 H new ATOM 0 HA SER A 124 4.474 9.511 -9.767 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.702 8.615 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 124 5.963 7.072 -8.681 1.00 0.00 H new ATOM 0 HG SER A 124 6.926 7.087 -10.788 1.00 0.00 H new ATOM 2014 N PHE A 125 2.719 7.139 -8.493 1.00 0.00 N ATOM 2015 CA PHE A 125 1.670 6.162 -8.765 1.00 0.00 C ATOM 2016 C PHE A 125 0.297 6.690 -8.350 1.00 0.00 C ATOM 2017 O PHE A 125 -0.698 6.464 -9.041 1.00 0.00 O ATOM 2018 CB PHE A 125 1.985 4.845 -8.049 1.00 0.00 C ATOM 2019 CG PHE A 125 1.189 3.668 -8.549 1.00 0.00 C ATOM 2020 CD1 PHE A 125 0.640 3.671 -9.820 1.00 0.00 C ATOM 2021 CD2 PHE A 125 1.004 2.554 -7.750 1.00 0.00 C ATOM 2022 CE1 PHE A 125 -0.079 2.588 -10.284 1.00 0.00 C ATOM 2023 CE2 PHE A 125 0.285 1.468 -8.208 1.00 0.00 C ATOM 2024 CZ PHE A 125 -0.258 1.484 -9.476 1.00 0.00 C ATOM 0 H PHE A 125 2.867 7.347 -7.505 1.00 0.00 H new ATOM 0 HA PHE A 125 1.639 5.982 -9.840 1.00 0.00 H new ATOM 0 HB2 PHE A 125 3.047 4.627 -8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.798 4.970 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.776 4.532 -10.457 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.427 2.534 -6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.501 2.605 -11.278 1.00 0.00 H new ATOM 0 HE2 PHE A 125 0.148 0.605 -7.573 1.00 0.00 H new ATOM 0 HZ PHE A 125 -0.821 0.635 -9.835 1.00 0.00 H new ATOM 2034 N GLY A 126 0.244 7.403 -7.232 1.00 0.00 N ATOM 2035 CA GLY A 126 -1.013 7.969 -6.786 1.00 0.00 C ATOM 2036 C GLY A 126 -1.055 8.200 -5.290 1.00 0.00 C ATOM 2037 O GLY A 126 -1.227 7.264 -4.513 1.00 0.00 O ATOM 0 H GLY A 126 1.044 7.598 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -1.183 8.915 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -1.827 7.302 -7.069 1.00 0.00 H new ATOM 2041 N ASP A 127 -0.901 9.455 -4.891 1.00 0.00 N ATOM 2042 CA ASP A 127 -0.943 9.831 -3.480 1.00 0.00 C ATOM 2043 C ASP A 127 -2.336 9.599 -2.904 1.00 0.00 C ATOM 2044 O ASP A 127 -2.494 9.240 -1.735 1.00 0.00 O ATOM 2045 CB ASP A 127 -0.563 11.307 -3.309 1.00 0.00 C ATOM 2046 CG ASP A 127 0.802 11.638 -3.877 1.00 0.00 C ATOM 2047 OD1 ASP A 127 0.911 11.793 -5.112 1.00 0.00 O ATOM 2048 OD2 ASP A 127 1.764 11.763 -3.093 1.00 0.00 O ATOM 0 H ASP A 127 -0.745 10.237 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.226 9.209 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -1.314 11.928 -3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -0.580 11.560 -2.249 1.00 0.00 H new ATOM 2053 N TRP A 128 -3.343 9.817 -3.738 1.00 0.00 N ATOM 2054 CA TRP A 128 -4.731 9.638 -3.340 1.00 0.00 C ATOM 2055 C TRP A 128 -5.398 8.593 -4.230 1.00 0.00 C ATOM 2056 O TRP A 128 -6.616 8.594 -4.410 1.00 0.00 O ATOM 2057 CB TRP A 128 -5.486 10.969 -3.432 1.00 0.00 C ATOM 2058 CG TRP A 128 -4.963 12.027 -2.506 1.00 0.00 C ATOM 2059 CD1 TRP A 128 -3.998 12.956 -2.782 1.00 0.00 C ATOM 2060 CD2 TRP A 128 -5.376 12.269 -1.153 1.00 0.00 C ATOM 2061 NE1 TRP A 128 -3.784 13.754 -1.685 1.00 0.00 N ATOM 2062 CE2 TRP A 128 -4.620 13.356 -0.674 1.00 0.00 C ATOM 2063 CE3 TRP A 128 -6.312 11.676 -0.299 1.00 0.00 C ATOM 2064 CZ2 TRP A 128 -4.770 13.859 0.618 1.00 0.00 C ATOM 2065 CZ3 TRP A 128 -6.461 12.176 0.980 1.00 0.00 C ATOM 2066 CH2 TRP A 128 -5.695 13.259 1.428 1.00 0.00 C ATOM 0 H TRP A 128 -3.222 10.121 -4.704 1.00 0.00 H new ATOM 0 HA TRP A 128 -4.759 9.292 -2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -5.431 11.337 -4.457 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -6.539 10.795 -3.212 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -3.480 13.049 -3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -3.112 14.519 -1.631 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -6.909 10.841 -0.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.177 14.692 0.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -7.181 11.724 1.646 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -5.837 13.628 2.433 1.00 0.00 H new ATOM 2077 N VAL A 129 -4.593 7.690 -4.770 1.00 0.00 N ATOM 2078 CA VAL A 129 -5.093 6.682 -5.687 1.00 0.00 C ATOM 2079 C VAL A 129 -4.795 5.282 -5.156 1.00 0.00 C ATOM 2080 O VAL A 129 -3.708 5.022 -4.645 1.00 0.00 O ATOM 2081 CB VAL A 129 -4.468 6.840 -7.095 1.00 0.00 C ATOM 2082 CG1 VAL A 129 -5.023 5.802 -8.058 1.00 0.00 C ATOM 2083 CG2 VAL A 129 -4.698 8.246 -7.636 1.00 0.00 C ATOM 0 H VAL A 129 -3.591 7.636 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.171 6.820 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.394 6.679 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.567 5.936 -9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -4.797 4.803 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.103 5.923 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.250 8.333 -8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.769 8.439 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.240 8.973 -6.966 1.00 0.00 H new ATOM 2093 N VAL A 130 -5.774 4.395 -5.264 1.00 0.00 N ATOM 2094 CA VAL A 130 -5.601 3.003 -4.890 1.00 0.00 C ATOM 2095 C VAL A 130 -4.866 2.264 -6.002 1.00 0.00 C ATOM 2096 O VAL A 130 -5.328 2.230 -7.148 1.00 0.00 O ATOM 2097 CB VAL A 130 -6.957 2.315 -4.621 1.00 0.00 C ATOM 2098 CG1 VAL A 130 -6.758 0.867 -4.199 1.00 0.00 C ATOM 2099 CG2 VAL A 130 -7.741 3.074 -3.561 1.00 0.00 C ATOM 0 H VAL A 130 -6.706 4.621 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 130 -5.018 2.971 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.529 2.324 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.728 0.405 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -6.242 0.325 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -6.161 0.832 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -8.693 2.574 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.168 3.100 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -7.924 4.093 -3.903 1.00 0.00 H new ATOM 2109 N PRO A 131 -3.701 1.687 -5.679 1.00 0.00 N ATOM 2110 CA PRO A 131 -2.845 1.001 -6.654 1.00 0.00 C ATOM 2111 C PRO A 131 -3.565 -0.105 -7.431 1.00 0.00 C ATOM 2112 O PRO A 131 -4.399 -0.832 -6.888 1.00 0.00 O ATOM 2113 CB PRO A 131 -1.737 0.399 -5.787 1.00 0.00 C ATOM 2114 CG PRO A 131 -1.696 1.256 -4.572 1.00 0.00 C ATOM 2115 CD PRO A 131 -3.114 1.671 -4.325 1.00 0.00 C ATOM 0 HA PRO A 131 -2.495 1.690 -7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -1.954 -0.638 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -0.780 0.406 -6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -1.293 0.709 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -1.054 2.124 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -3.631 0.969 -3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -3.170 2.651 -3.850 1.00 0.00 H new ATOM 2123 N TYR A 132 -3.239 -0.209 -8.710 1.00 0.00 N ATOM 2124 CA TYR A 132 -3.756 -1.269 -9.562 1.00 0.00 C ATOM 2125 C TYR A 132 -2.583 -2.031 -10.164 1.00 0.00 C ATOM 2126 O TYR A 132 -1.434 -1.609 -10.014 1.00 0.00 O ATOM 2127 CB TYR A 132 -4.650 -0.692 -10.670 1.00 0.00 C ATOM 2128 CG TYR A 132 -3.947 0.287 -11.590 1.00 0.00 C ATOM 2129 CD1 TYR A 132 -3.159 -0.164 -12.639 1.00 0.00 C ATOM 2130 CD2 TYR A 132 -4.077 1.661 -11.415 1.00 0.00 C ATOM 2131 CE1 TYR A 132 -2.517 0.715 -13.483 1.00 0.00 C ATOM 2132 CE2 TYR A 132 -3.435 2.549 -12.257 1.00 0.00 C ATOM 2133 CZ TYR A 132 -2.660 2.072 -13.290 1.00 0.00 C ATOM 2134 OH TYR A 132 -2.021 2.955 -14.131 1.00 0.00 O ATOM 0 H TYR A 132 -2.610 0.438 -9.186 1.00 0.00 H new ATOM 0 HA TYR A 132 -4.367 -1.947 -8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -5.046 -1.514 -11.267 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -5.503 -0.193 -10.210 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.047 -1.226 -12.797 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -4.689 2.039 -10.609 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -1.905 0.343 -14.291 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -3.541 3.613 -12.105 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.227 3.874 -13.858 1.00 0.00 H new ATOM 2144 N TYR A 133 -2.855 -3.134 -10.849 1.00 0.00 N ATOM 2145 CA TYR A 133 -1.784 -3.943 -11.404 1.00 0.00 C ATOM 2146 C TYR A 133 -1.283 -3.365 -12.725 1.00 0.00 C ATOM 2147 O TYR A 133 -2.067 -3.062 -13.624 1.00 0.00 O ATOM 2148 CB TYR A 133 -2.222 -5.397 -11.590 1.00 0.00 C ATOM 2149 CG TYR A 133 -1.056 -6.359 -11.625 1.00 0.00 C ATOM 2150 CD1 TYR A 133 0.009 -6.205 -10.746 1.00 0.00 C ATOM 2151 CD2 TYR A 133 -1.015 -7.416 -12.526 1.00 0.00 C ATOM 2152 CE1 TYR A 133 1.079 -7.074 -10.760 1.00 0.00 C ATOM 2153 CE2 TYR A 133 0.055 -8.294 -12.544 1.00 0.00 C ATOM 2154 CZ TYR A 133 1.098 -8.115 -11.658 1.00 0.00 C ATOM 2155 OH TYR A 133 2.163 -8.985 -11.664 1.00 0.00 O ATOM 0 H TYR A 133 -3.796 -3.484 -11.031 1.00 0.00 H new ATOM 0 HA TYR A 133 -0.962 -3.926 -10.689 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -2.894 -5.676 -10.778 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -2.788 -5.486 -12.517 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -0.002 -5.389 -10.038 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -1.829 -7.554 -13.222 1.00 0.00 H new ATOM 0 HE1 TYR A 133 1.898 -6.938 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 133 0.074 -9.114 -13.247 1.00 0.00 H new ATOM 0 HH TYR A 133 2.026 -9.666 -12.356 1.00 0.00 H new ATOM 2165 N ARG A 134 0.035 -3.220 -12.806 1.00 0.00 N ATOM 2166 CA ARG A 134 0.727 -2.638 -13.951 1.00 0.00 C ATOM 2167 C ARG A 134 0.407 -1.157 -14.076 1.00 0.00 C ATOM 2168 O ARG A 134 -0.316 -0.732 -14.977 1.00 0.00 O ATOM 2169 CB ARG A 134 0.428 -3.370 -15.265 1.00 0.00 C ATOM 2170 CG ARG A 134 1.348 -2.938 -16.398 1.00 0.00 C ATOM 2171 CD ARG A 134 0.995 -3.608 -17.711 1.00 0.00 C ATOM 2172 NE ARG A 134 1.934 -3.240 -18.770 1.00 0.00 N ATOM 2173 CZ ARG A 134 1.583 -2.945 -20.021 1.00 0.00 C ATOM 2174 NH1 ARG A 134 0.306 -2.963 -20.385 1.00 0.00 N ATOM 2175 NH2 ARG A 134 2.514 -2.615 -20.907 1.00 0.00 N ATOM 0 H ARG A 134 0.667 -3.511 -12.060 1.00 0.00 H new ATOM 0 HA ARG A 134 1.794 -2.757 -13.764 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.529 -4.444 -15.109 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -0.607 -3.185 -15.552 1.00 0.00 H new ATOM 0 HG2 ARG A 134 1.291 -1.856 -16.517 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.379 -3.176 -16.137 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.998 -4.690 -17.581 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -0.016 -3.325 -18.005 1.00 0.00 H new ATOM 0 HE ARG A 134 2.926 -3.207 -18.535 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.415 -3.204 -19.705 1.00 0.00 H new ATOM 0 HH12 ARG A 134 0.046 -2.736 -21.345 1.00 0.00 H new ATOM 0 HH21 ARG A 134 3.495 -2.588 -20.630 1.00 0.00 H new ATOM 0 HH22 ARG A 134 2.248 -2.389 -21.865 1.00 0.00 H new