USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 738 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.966 USER MOD Single : A 12 MET CE :methyl -144:sc= -0.477 (180deg=-1.15) USER MOD Single : A 14 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.78) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.719 K(o=-0.72,f=-1.7!) USER MOD Single : A 25 SER OG : rot -140:sc= -2.48 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0532 USER MOD Single : A 35 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.11) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.194 (180deg=-0.976) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=-0.023) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.928 K(o=-0.93,f=-3.9!) USER MOD Single : A 61 ASN : amide:sc=0.000193 X(o=0.00019,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-0.5) USER MOD Single : A 67 LYS NZ :NH3+ -164:sc= -0.0138 (180deg=-0.215) USER MOD Single : A 69 GLN : amide:sc= -0.955 K(o=-0.95,f=0.13) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 64:sc= 1.15 USER MOD Single : A 75 SER OG : rot 180:sc= -0.01 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc=-0.000655 USER MOD Single : A 79 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.76) USER MOD Single : A 80 ASN : amide:sc= -3.58 K(o=-3.6,f=-6.5!) USER MOD Single : A 82 SER OG : rot -67:sc= 0.653 USER MOD Single : A 88 ASN : amide:sc= -0.757 K(o=-0.76,f=-3.5!) USER MOD Single : A 91 HIS : no HD1:sc= -0.917 K(o=-0.92,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.958 11.738 -10.009 1.00 0.00 N ATOM 2 CA ALA A 1 -12.707 13.192 -9.804 1.00 0.00 C ATOM 3 C ALA A 1 -13.473 13.669 -8.568 1.00 0.00 C ATOM 4 O ALA A 1 -14.606 14.103 -8.658 1.00 0.00 O ATOM 5 CB ALA A 1 -13.186 13.971 -11.031 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.439 11.411 -10.849 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.635 11.209 -9.174 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.976 11.578 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.640 13.361 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.002 15.035 -10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.644 13.630 -11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.254 13.804 -11.174 1.00 0.00 H new ATOM 13 N ARG A 2 -12.856 13.595 -7.414 1.00 0.00 N ATOM 14 CA ARG A 2 -13.534 14.045 -6.159 1.00 0.00 C ATOM 15 C ARG A 2 -12.615 13.783 -4.956 1.00 0.00 C ATOM 16 O ARG A 2 -12.251 14.708 -4.254 1.00 0.00 O ATOM 17 CB ARG A 2 -14.862 13.290 -5.973 1.00 0.00 C ATOM 18 CG ARG A 2 -15.971 14.287 -5.622 1.00 0.00 C ATOM 19 CD ARG A 2 -16.953 13.647 -4.641 1.00 0.00 C ATOM 20 NE ARG A 2 -17.755 14.718 -3.986 1.00 0.00 N ATOM 21 CZ ARG A 2 -18.933 14.447 -3.495 1.00 0.00 C ATOM 22 NH1 ARG A 2 -19.039 13.911 -2.312 1.00 0.00 N ATOM 23 NH2 ARG A 2 -20.005 14.716 -4.189 1.00 0.00 N ATOM 0 H ARG A 2 -11.908 13.241 -7.287 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.743 15.112 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.118 12.752 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -14.763 12.547 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -15.538 15.186 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -16.495 14.595 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -17.610 12.953 -5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -16.413 13.070 -3.891 1.00 0.00 H new ATOM 0 HE ARG A 2 -17.382 15.665 -3.921 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -18.201 13.703 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -19.960 13.699 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -19.921 15.138 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -20.927 14.505 -3.806 1.00 0.00 H new ATOM 37 N PRO A 3 -12.266 12.527 -4.751 1.00 0.00 N ATOM 38 CA PRO A 3 -11.378 12.224 -3.598 1.00 0.00 C ATOM 39 C PRO A 3 -9.973 12.791 -3.840 1.00 0.00 C ATOM 40 O PRO A 3 -9.318 12.466 -4.814 1.00 0.00 O ATOM 41 CB PRO A 3 -11.350 10.698 -3.516 1.00 0.00 C ATOM 42 CG PRO A 3 -11.736 10.185 -4.913 1.00 0.00 C ATOM 43 CD PRO A 3 -12.486 11.328 -5.608 1.00 0.00 C ATOM 0 HA PRO A 3 -11.733 12.672 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.360 10.342 -3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.049 10.336 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.849 9.902 -5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.364 9.297 -4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.106 11.491 -6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.548 11.101 -5.701 1.00 0.00 H new ATOM 51 N ALA A 4 -9.514 13.640 -2.956 1.00 0.00 N ATOM 52 CA ALA A 4 -8.159 14.246 -3.116 1.00 0.00 C ATOM 53 C ALA A 4 -7.086 13.157 -3.029 1.00 0.00 C ATOM 54 O ALA A 4 -6.024 13.279 -3.608 1.00 0.00 O ATOM 55 CB ALA A 4 -7.928 15.274 -2.006 1.00 0.00 C ATOM 0 H ALA A 4 -10.024 13.941 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.098 14.733 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.939 15.718 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.686 16.055 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.994 14.783 -1.035 1.00 0.00 H new ATOM 61 N PHE A 5 -7.355 12.100 -2.308 1.00 0.00 N ATOM 62 CA PHE A 5 -6.351 11.003 -2.177 1.00 0.00 C ATOM 63 C PHE A 5 -6.136 10.337 -3.538 1.00 0.00 C ATOM 64 O PHE A 5 -5.019 10.065 -3.933 1.00 0.00 O ATOM 65 CB PHE A 5 -6.858 9.960 -1.181 1.00 0.00 C ATOM 66 CG PHE A 5 -5.717 9.055 -0.790 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.626 9.573 -0.083 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.747 7.700 -1.138 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.564 8.735 0.276 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.685 6.862 -0.780 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.593 7.379 -0.072 1.00 0.00 C ATOM 0 H PHE A 5 -8.228 11.949 -1.803 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.409 11.420 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.268 10.451 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.665 9.377 -1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.604 10.619 0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.590 7.301 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.722 9.134 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.708 5.816 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.774 6.732 0.205 1.00 0.00 H new ATOM 81 N VAL A 6 -7.201 10.069 -4.252 1.00 0.00 N ATOM 82 CA VAL A 6 -7.067 9.416 -5.586 1.00 0.00 C ATOM 83 C VAL A 6 -6.398 10.383 -6.568 1.00 0.00 C ATOM 84 O VAL A 6 -5.687 9.973 -7.466 1.00 0.00 O ATOM 85 CB VAL A 6 -8.453 9.027 -6.107 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.310 8.238 -7.408 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.166 8.162 -5.064 1.00 0.00 C ATOM 0 H VAL A 6 -8.158 10.276 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.453 8.520 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.035 9.930 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.298 7.962 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.803 8.852 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.727 7.336 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.153 7.885 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.582 7.261 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.271 8.724 -4.136 1.00 0.00 H new ATOM 97 N ASN A 7 -6.621 11.663 -6.401 1.00 0.00 N ATOM 98 CA ASN A 7 -5.998 12.663 -7.320 1.00 0.00 C ATOM 99 C ASN A 7 -4.480 12.664 -7.123 1.00 0.00 C ATOM 100 O ASN A 7 -3.722 12.796 -8.066 1.00 0.00 O ATOM 101 CB ASN A 7 -6.548 14.056 -7.005 1.00 0.00 C ATOM 102 CG ASN A 7 -8.067 14.059 -7.184 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.794 14.466 -6.300 1.00 0.00 O ATOM 104 ND2 ASN A 7 -8.579 13.619 -8.301 1.00 0.00 N ATOM 0 H ASN A 7 -7.208 12.058 -5.667 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.232 12.400 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.291 14.337 -5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.092 14.796 -7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.591 13.617 -8.432 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.968 13.278 -9.043 1.00 0.00 H new ATOM 111 N LYS A 8 -4.035 12.518 -5.902 1.00 0.00 N ATOM 112 CA LYS A 8 -2.566 12.511 -5.625 1.00 0.00 C ATOM 113 C LYS A 8 -1.980 11.125 -5.930 1.00 0.00 C ATOM 114 O LYS A 8 -0.789 10.984 -6.137 1.00 0.00 O ATOM 115 CB LYS A 8 -2.321 12.857 -4.151 1.00 0.00 C ATOM 116 CG LYS A 8 -3.084 11.877 -3.254 1.00 0.00 C ATOM 117 CD LYS A 8 -2.562 11.974 -1.817 1.00 0.00 C ATOM 118 CE LYS A 8 -2.879 13.359 -1.239 1.00 0.00 C ATOM 119 NZ LYS A 8 -1.620 14.146 -1.125 1.00 0.00 N ATOM 0 H LYS A 8 -4.628 12.403 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.080 13.251 -6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.255 12.812 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.646 13.878 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.150 12.102 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.964 10.860 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.020 11.200 -1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.486 11.800 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.590 13.879 -1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.348 13.258 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.832 15.086 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.957 13.650 -0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.191 14.252 -2.066 1.00 0.00 H new ATOM 133 N LEU A 9 -2.801 10.103 -5.954 1.00 0.00 N ATOM 134 CA LEU A 9 -2.290 8.729 -6.241 1.00 0.00 C ATOM 135 C LEU A 9 -2.015 8.584 -7.742 1.00 0.00 C ATOM 136 O LEU A 9 -1.146 7.836 -8.151 1.00 0.00 O ATOM 137 CB LEU A 9 -3.344 7.702 -5.810 1.00 0.00 C ATOM 138 CG LEU A 9 -2.806 6.283 -6.017 1.00 0.00 C ATOM 139 CD1 LEU A 9 -1.589 6.049 -5.120 1.00 0.00 C ATOM 140 CD2 LEU A 9 -3.899 5.272 -5.661 1.00 0.00 C ATOM 0 H LEU A 9 -3.805 10.163 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.365 8.560 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.603 7.852 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.258 7.842 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.511 6.159 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.213 5.038 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.809 6.768 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.877 6.174 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.520 4.260 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.191 5.403 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.765 5.431 -6.303 1.00 0.00 H new ATOM 152 N TRP A 10 -2.753 9.288 -8.559 1.00 0.00 N ATOM 153 CA TRP A 10 -2.555 9.198 -10.037 1.00 0.00 C ATOM 154 C TRP A 10 -1.217 9.836 -10.449 1.00 0.00 C ATOM 155 O TRP A 10 -0.814 9.734 -11.592 1.00 0.00 O ATOM 156 CB TRP A 10 -3.702 9.934 -10.731 1.00 0.00 C ATOM 157 CG TRP A 10 -4.803 8.978 -11.085 1.00 0.00 C ATOM 158 CD1 TRP A 10 -5.747 9.223 -12.020 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.108 7.653 -10.540 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.607 8.143 -12.091 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.257 7.151 -11.200 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.513 6.842 -9.551 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -6.793 5.900 -10.895 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.052 5.581 -9.243 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.189 5.112 -9.914 1.00 0.00 C ATOM 0 H TRP A 10 -3.491 9.927 -8.264 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.541 8.148 -10.331 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.088 10.716 -10.077 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.334 10.424 -11.632 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.818 10.120 -12.617 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.404 8.087 -12.725 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.637 7.193 -9.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -7.670 5.543 -11.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.587 4.970 -8.484 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.598 4.142 -9.672 1.00 0.00 H new ATOM 176 N SER A 11 -0.529 10.499 -9.546 1.00 0.00 N ATOM 177 CA SER A 11 0.770 11.141 -9.913 1.00 0.00 C ATOM 178 C SER A 11 1.940 10.225 -9.538 1.00 0.00 C ATOM 179 O SER A 11 2.885 10.077 -10.291 1.00 0.00 O ATOM 180 CB SER A 11 0.910 12.465 -9.162 1.00 0.00 C ATOM 181 OG SER A 11 0.504 12.285 -7.812 1.00 0.00 O ATOM 0 H SER A 11 -0.813 10.621 -8.574 1.00 0.00 H new ATOM 0 HA SER A 11 0.785 11.317 -10.989 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.943 12.810 -9.200 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.300 13.233 -9.638 1.00 0.00 H new ATOM 0 HG SER A 11 0.594 13.132 -7.328 1.00 0.00 H new ATOM 187 N MET A 12 1.893 9.623 -8.375 1.00 0.00 N ATOM 188 CA MET A 12 3.013 8.731 -7.940 1.00 0.00 C ATOM 189 C MET A 12 2.971 7.406 -8.712 1.00 0.00 C ATOM 190 O MET A 12 3.994 6.787 -8.945 1.00 0.00 O ATOM 191 CB MET A 12 2.902 8.461 -6.432 1.00 0.00 C ATOM 192 CG MET A 12 1.581 7.752 -6.115 1.00 0.00 C ATOM 193 SD MET A 12 1.450 7.489 -4.329 1.00 0.00 S ATOM 194 CE MET A 12 2.691 6.179 -4.200 1.00 0.00 C ATOM 0 H MET A 12 1.127 9.711 -7.707 1.00 0.00 H new ATOM 0 HA MET A 12 3.961 9.227 -8.150 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.740 7.847 -6.103 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.960 9.400 -5.882 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.741 8.351 -6.468 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.534 6.797 -6.638 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.379 5.455 -3.447 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.794 5.680 -5.163 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.649 6.612 -3.911 1.00 0.00 H new ATOM 204 N VAL A 13 1.802 6.963 -9.102 1.00 0.00 N ATOM 205 CA VAL A 13 1.700 5.672 -9.851 1.00 0.00 C ATOM 206 C VAL A 13 2.050 5.879 -11.334 1.00 0.00 C ATOM 207 O VAL A 13 2.099 4.931 -12.095 1.00 0.00 O ATOM 208 CB VAL A 13 0.275 5.116 -9.737 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.219 3.696 -10.325 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.143 5.075 -8.262 1.00 0.00 C ATOM 0 H VAL A 13 0.915 7.438 -8.935 1.00 0.00 H new ATOM 0 HA VAL A 13 2.406 4.964 -9.417 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.406 5.761 -10.292 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.796 3.307 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.510 3.725 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.903 3.048 -9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.156 4.680 -8.182 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.542 4.434 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.113 6.082 -7.847 1.00 0.00 H new ATOM 220 N ASN A 14 2.303 7.099 -11.759 1.00 0.00 N ATOM 221 CA ASN A 14 2.657 7.339 -13.194 1.00 0.00 C ATOM 222 C ASN A 14 3.895 6.511 -13.565 1.00 0.00 C ATOM 223 O ASN A 14 4.090 6.149 -14.709 1.00 0.00 O ATOM 224 CB ASN A 14 2.945 8.827 -13.408 1.00 0.00 C ATOM 225 CG ASN A 14 1.683 9.515 -13.934 1.00 0.00 C ATOM 226 OD1 ASN A 14 0.586 9.168 -13.548 1.00 0.00 O ATOM 227 ND2 ASN A 14 1.792 10.478 -14.806 1.00 0.00 N ATOM 0 H ASN A 14 2.279 7.934 -11.174 1.00 0.00 H new ATOM 0 HA ASN A 14 1.823 7.039 -13.828 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.260 9.287 -12.471 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.764 8.953 -14.116 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.956 10.939 -15.163 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.714 10.770 -15.131 1.00 0.00 H new ATOM 234 N ASP A 15 4.721 6.196 -12.596 1.00 0.00 N ATOM 235 CA ASP A 15 5.942 5.376 -12.862 1.00 0.00 C ATOM 236 C ASP A 15 6.885 6.106 -13.818 1.00 0.00 C ATOM 237 O ASP A 15 7.614 5.483 -14.566 1.00 0.00 O ATOM 238 CB ASP A 15 5.545 4.031 -13.477 1.00 0.00 C ATOM 239 CG ASP A 15 4.489 3.362 -12.599 1.00 0.00 C ATOM 240 OD1 ASP A 15 4.670 3.353 -11.392 1.00 0.00 O ATOM 241 OD2 ASP A 15 3.519 2.871 -13.147 1.00 0.00 O ATOM 0 H ASP A 15 4.599 6.476 -11.623 1.00 0.00 H new ATOM 0 HA ASP A 15 6.455 5.211 -11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.155 4.180 -14.484 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.420 3.387 -13.566 1.00 0.00 H new ATOM 246 N LYS A 16 6.898 7.414 -13.788 1.00 0.00 N ATOM 247 CA LYS A 16 7.823 8.169 -14.684 1.00 0.00 C ATOM 248 C LYS A 16 9.197 8.205 -14.016 1.00 0.00 C ATOM 249 O LYS A 16 10.204 7.895 -14.624 1.00 0.00 O ATOM 250 CB LYS A 16 7.300 9.599 -14.894 1.00 0.00 C ATOM 251 CG LYS A 16 6.895 9.793 -16.359 1.00 0.00 C ATOM 252 CD LYS A 16 8.134 9.689 -17.253 1.00 0.00 C ATOM 253 CE LYS A 16 8.766 11.072 -17.419 1.00 0.00 C ATOM 254 NZ LYS A 16 10.009 10.952 -18.233 1.00 0.00 N ATOM 0 H LYS A 16 6.311 7.989 -13.184 1.00 0.00 H new ATOM 0 HA LYS A 16 7.889 7.684 -15.658 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.445 9.783 -14.243 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.069 10.321 -14.621 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.162 9.039 -16.647 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.420 10.765 -16.490 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.855 8.999 -16.814 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.859 9.285 -18.227 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.064 11.749 -17.905 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.997 11.498 -16.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.441 11.891 -18.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.679 10.319 -17.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.775 10.562 -19.168 1.00 0.00 H new ATOM 268 N SER A 17 9.234 8.560 -12.759 1.00 0.00 N ATOM 269 CA SER A 17 10.528 8.594 -12.021 1.00 0.00 C ATOM 270 C SER A 17 10.676 7.293 -11.223 1.00 0.00 C ATOM 271 O SER A 17 11.773 6.838 -10.961 1.00 0.00 O ATOM 272 CB SER A 17 10.545 9.790 -11.069 1.00 0.00 C ATOM 273 OG SER A 17 11.854 10.344 -11.036 1.00 0.00 O ATOM 0 H SER A 17 8.418 8.829 -12.210 1.00 0.00 H new ATOM 0 HA SER A 17 11.355 8.691 -12.725 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.827 10.542 -11.398 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.244 9.478 -10.069 1.00 0.00 H new ATOM 0 HG SER A 17 11.869 11.112 -10.428 1.00 0.00 H new ATOM 279 N ASN A 18 9.574 6.687 -10.844 1.00 0.00 N ATOM 280 CA ASN A 18 9.637 5.408 -10.070 1.00 0.00 C ATOM 281 C ASN A 18 9.468 4.226 -11.034 1.00 0.00 C ATOM 282 O ASN A 18 9.000 3.170 -10.653 1.00 0.00 O ATOM 283 CB ASN A 18 8.506 5.361 -9.031 1.00 0.00 C ATOM 284 CG ASN A 18 8.341 6.723 -8.347 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.309 7.338 -7.945 1.00 0.00 O ATOM 286 ND2 ASN A 18 7.143 7.222 -8.203 1.00 0.00 N ATOM 0 H ASN A 18 8.632 7.026 -11.039 1.00 0.00 H new ATOM 0 HA ASN A 18 10.599 5.350 -9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.572 5.076 -9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.723 4.597 -8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.019 8.129 -7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.331 6.705 -8.541 1.00 0.00 H new ATOM 293 N GLU A 19 9.835 4.402 -12.280 1.00 0.00 N ATOM 294 CA GLU A 19 9.689 3.301 -13.277 1.00 0.00 C ATOM 295 C GLU A 19 10.495 2.065 -12.844 1.00 0.00 C ATOM 296 O GLU A 19 10.268 0.975 -13.338 1.00 0.00 O ATOM 297 CB GLU A 19 10.188 3.795 -14.640 1.00 0.00 C ATOM 298 CG GLU A 19 9.937 2.722 -15.705 1.00 0.00 C ATOM 299 CD GLU A 19 9.974 3.365 -17.093 1.00 0.00 C ATOM 300 OE1 GLU A 19 10.988 3.957 -17.422 1.00 0.00 O ATOM 301 OE2 GLU A 19 8.988 3.254 -17.802 1.00 0.00 O ATOM 0 H GLU A 19 10.231 5.266 -12.649 1.00 0.00 H new ATOM 0 HA GLU A 19 8.639 3.017 -13.344 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.676 4.718 -14.912 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.252 4.025 -14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.693 1.940 -15.634 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.970 2.247 -15.538 1.00 0.00 H new ATOM 308 N LYS A 20 11.434 2.217 -11.937 1.00 0.00 N ATOM 309 CA LYS A 20 12.246 1.041 -11.498 1.00 0.00 C ATOM 310 C LYS A 20 11.733 0.500 -10.158 1.00 0.00 C ATOM 311 O LYS A 20 12.500 -0.010 -9.363 1.00 0.00 O ATOM 312 CB LYS A 20 13.709 1.460 -11.345 1.00 0.00 C ATOM 313 CG LYS A 20 14.619 0.296 -11.745 1.00 0.00 C ATOM 314 CD LYS A 20 14.952 0.396 -13.235 1.00 0.00 C ATOM 315 CE LYS A 20 15.271 -0.996 -13.780 1.00 0.00 C ATOM 316 NZ LYS A 20 14.001 -1.695 -14.125 1.00 0.00 N ATOM 0 H LYS A 20 11.670 3.101 -11.486 1.00 0.00 H new ATOM 0 HA LYS A 20 12.159 0.258 -12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.917 2.329 -11.970 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.908 1.754 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.535 0.317 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.126 -0.653 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.111 0.827 -13.778 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.803 1.061 -13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.907 -0.917 -14.662 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.826 -1.571 -13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.216 -2.642 -14.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.410 -1.782 -13.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.489 -1.149 -14.847 1.00 0.00 H new ATOM 330 N PHE A 21 10.448 0.597 -9.899 1.00 0.00 N ATOM 331 CA PHE A 21 9.908 0.071 -8.606 1.00 0.00 C ATOM 332 C PHE A 21 8.442 -0.361 -8.776 1.00 0.00 C ATOM 333 O PHE A 21 8.165 -1.518 -9.034 1.00 0.00 O ATOM 334 CB PHE A 21 10.025 1.149 -7.524 1.00 0.00 C ATOM 335 CG PHE A 21 11.457 1.235 -7.058 1.00 0.00 C ATOM 336 CD1 PHE A 21 12.053 0.140 -6.419 1.00 0.00 C ATOM 337 CD2 PHE A 21 12.192 2.408 -7.264 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.383 0.220 -5.989 1.00 0.00 C ATOM 339 CE2 PHE A 21 13.521 2.488 -6.834 1.00 0.00 C ATOM 340 CZ PHE A 21 14.117 1.393 -6.197 1.00 0.00 C ATOM 0 H PHE A 21 9.757 1.014 -10.522 1.00 0.00 H new ATOM 0 HA PHE A 21 10.489 -0.800 -8.304 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.700 2.112 -7.918 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.371 0.911 -6.685 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.487 -0.765 -6.258 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.733 3.253 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.843 -0.624 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.087 3.394 -6.993 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.143 1.454 -5.866 1.00 0.00 H new ATOM 350 N ILE A 22 7.501 0.545 -8.631 1.00 0.00 N ATOM 351 CA ILE A 22 6.062 0.165 -8.781 1.00 0.00 C ATOM 352 C ILE A 22 5.607 0.429 -10.220 1.00 0.00 C ATOM 353 O ILE A 22 6.097 1.325 -10.882 1.00 0.00 O ATOM 354 CB ILE A 22 5.207 0.975 -7.791 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.741 0.548 -7.910 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.324 2.474 -8.087 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.989 0.945 -6.640 1.00 0.00 C ATOM 0 H ILE A 22 7.669 1.528 -8.416 1.00 0.00 H new ATOM 0 HA ILE A 22 5.940 -0.896 -8.563 1.00 0.00 H new ATOM 0 HB ILE A 22 5.567 0.784 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.283 1.020 -8.779 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.676 -0.529 -8.062 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.714 3.034 -7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.365 2.783 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.977 2.673 -9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.946 0.641 -6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.442 0.452 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.042 2.026 -6.508 1.00 0.00 H new ATOM 369 N HIS A 23 4.670 -0.348 -10.699 1.00 0.00 N ATOM 370 CA HIS A 23 4.170 -0.156 -12.089 1.00 0.00 C ATOM 371 C HIS A 23 2.737 -0.693 -12.193 1.00 0.00 C ATOM 372 O HIS A 23 2.262 -1.386 -11.313 1.00 0.00 O ATOM 373 CB HIS A 23 5.090 -0.893 -13.075 1.00 0.00 C ATOM 374 CG HIS A 23 5.095 -2.375 -12.792 1.00 0.00 C ATOM 375 ND1 HIS A 23 5.471 -2.900 -11.565 1.00 0.00 N ATOM 376 CD2 HIS A 23 4.770 -3.455 -13.576 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.364 -4.239 -11.646 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.940 -4.630 -12.850 1.00 0.00 N ATOM 0 H HIS A 23 4.229 -1.110 -10.183 1.00 0.00 H new ATOM 0 HA HIS A 23 4.170 0.905 -12.337 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.755 -0.714 -14.097 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.104 -0.499 -12.998 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.433 -3.401 -14.601 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.593 -4.915 -10.836 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.776 -5.585 -13.169 1.00 0.00 H new ATOM 386 N TRP A 24 2.050 -0.373 -13.260 1.00 0.00 N ATOM 387 CA TRP A 24 0.648 -0.857 -13.429 1.00 0.00 C ATOM 388 C TRP A 24 0.650 -2.361 -13.713 1.00 0.00 C ATOM 389 O TRP A 24 1.552 -2.881 -14.341 1.00 0.00 O ATOM 390 CB TRP A 24 -0.005 -0.130 -14.604 1.00 0.00 C ATOM 391 CG TRP A 24 -0.356 1.265 -14.200 1.00 0.00 C ATOM 392 CD1 TRP A 24 0.482 2.133 -13.592 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.621 1.964 -14.367 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.188 3.326 -13.379 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.488 3.270 -13.839 1.00 0.00 C ATOM 396 CE3 TRP A 24 -2.857 1.595 -14.920 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.547 4.178 -13.863 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -3.926 2.504 -14.946 1.00 0.00 C ATOM 399 CH2 TRP A 24 -3.771 3.794 -14.418 1.00 0.00 C ATOM 0 H TRP A 24 2.402 0.205 -14.024 1.00 0.00 H new ATOM 0 HA TRP A 24 0.090 -0.658 -12.514 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.674 -0.112 -15.456 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -0.901 -0.663 -14.922 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.506 1.930 -13.317 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.228 4.145 -12.937 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -2.987 0.604 -15.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.422 5.170 -13.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -4.872 2.209 -15.375 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.597 4.490 -14.440 1.00 0.00 H new ATOM 410 N SER A 25 -0.362 -3.058 -13.261 1.00 0.00 N ATOM 411 CA SER A 25 -0.439 -4.527 -13.506 1.00 0.00 C ATOM 412 C SER A 25 -0.815 -4.768 -14.968 1.00 0.00 C ATOM 413 O SER A 25 -1.840 -4.306 -15.435 1.00 0.00 O ATOM 414 CB SER A 25 -1.508 -5.145 -12.599 1.00 0.00 C ATOM 415 OG SER A 25 -1.678 -4.333 -11.443 1.00 0.00 O ATOM 0 H SER A 25 -1.141 -2.669 -12.730 1.00 0.00 H new ATOM 0 HA SER A 25 0.526 -4.986 -13.290 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.452 -5.231 -13.138 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.214 -6.153 -12.308 1.00 0.00 H new ATOM 0 HG SER A 25 -1.793 -4.905 -10.656 1.00 0.00 H new ATOM 421 N THR A 26 0.006 -5.483 -15.695 1.00 0.00 N ATOM 422 CA THR A 26 -0.295 -5.757 -17.134 1.00 0.00 C ATOM 423 C THR A 26 -0.436 -4.436 -17.902 1.00 0.00 C ATOM 424 O THR A 26 -1.061 -4.379 -18.945 1.00 0.00 O ATOM 425 CB THR A 26 -1.600 -6.549 -17.235 1.00 0.00 C ATOM 426 OG1 THR A 26 -1.625 -7.543 -16.221 1.00 0.00 O ATOM 427 CG2 THR A 26 -1.692 -7.216 -18.608 1.00 0.00 C ATOM 0 H THR A 26 0.876 -5.891 -15.352 1.00 0.00 H new ATOM 0 HA THR A 26 0.521 -6.335 -17.568 1.00 0.00 H new ATOM 0 HB THR A 26 -2.446 -5.874 -17.106 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.461 -8.051 -16.282 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.622 -7.779 -18.677 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.672 -6.452 -19.386 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.848 -7.892 -18.741 1.00 0.00 H new ATOM 435 N SER A 27 0.149 -3.375 -17.397 1.00 0.00 N ATOM 436 CA SER A 27 0.062 -2.055 -18.092 1.00 0.00 C ATOM 437 C SER A 27 -1.401 -1.602 -18.177 1.00 0.00 C ATOM 438 O SER A 27 -1.853 -1.129 -19.204 1.00 0.00 O ATOM 439 CB SER A 27 0.658 -2.179 -19.501 1.00 0.00 C ATOM 440 OG SER A 27 1.627 -1.157 -19.689 1.00 0.00 O ATOM 0 H SER A 27 0.685 -3.369 -16.529 1.00 0.00 H new ATOM 0 HA SER A 27 0.625 -1.312 -17.527 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.116 -3.160 -19.630 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.129 -2.093 -20.251 1.00 0.00 H new ATOM 0 HG SER A 27 2.012 -1.233 -20.587 1.00 0.00 H new ATOM 446 N GLY A 28 -2.145 -1.731 -17.101 1.00 0.00 N ATOM 447 CA GLY A 28 -3.574 -1.293 -17.127 1.00 0.00 C ATOM 448 C GLY A 28 -4.388 -2.008 -16.042 1.00 0.00 C ATOM 449 O GLY A 28 -4.392 -3.219 -15.951 1.00 0.00 O ATOM 0 H GLY A 28 -1.825 -2.118 -16.213 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.630 -0.215 -16.978 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.004 -1.502 -18.106 1.00 0.00 H new ATOM 453 N GLU A 29 -5.102 -1.255 -15.235 1.00 0.00 N ATOM 454 CA GLU A 29 -5.959 -1.847 -14.164 1.00 0.00 C ATOM 455 C GLU A 29 -5.115 -2.458 -13.045 1.00 0.00 C ATOM 456 O GLU A 29 -4.328 -3.361 -13.255 1.00 0.00 O ATOM 457 CB GLU A 29 -6.888 -2.923 -14.750 1.00 0.00 C ATOM 458 CG GLU A 29 -7.590 -2.382 -16.005 1.00 0.00 C ATOM 459 CD GLU A 29 -9.101 -2.615 -15.899 1.00 0.00 C ATOM 460 OE1 GLU A 29 -9.726 -1.954 -15.087 1.00 0.00 O ATOM 461 OE2 GLU A 29 -9.604 -3.449 -16.633 1.00 0.00 O ATOM 0 H GLU A 29 -5.124 -0.236 -15.278 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.558 -1.039 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.313 -3.815 -15.000 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.629 -3.219 -14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.384 -1.317 -16.117 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.198 -2.877 -16.893 1.00 0.00 H new ATOM 468 N SER A 30 -5.313 -1.975 -11.845 1.00 0.00 N ATOM 469 CA SER A 30 -4.580 -2.506 -10.647 1.00 0.00 C ATOM 470 C SER A 30 -3.114 -2.071 -10.658 1.00 0.00 C ATOM 471 O SER A 30 -2.620 -1.515 -11.619 1.00 0.00 O ATOM 472 CB SER A 30 -4.652 -4.036 -10.617 1.00 0.00 C ATOM 473 OG SER A 30 -5.958 -4.451 -10.994 1.00 0.00 O ATOM 0 H SER A 30 -5.965 -1.219 -11.637 1.00 0.00 H new ATOM 0 HA SER A 30 -5.060 -2.098 -9.757 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.913 -4.460 -11.297 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.415 -4.403 -9.619 1.00 0.00 H new ATOM 0 HG SER A 30 -6.008 -5.430 -10.978 1.00 0.00 H new ATOM 479 N ILE A 31 -2.423 -2.333 -9.577 1.00 0.00 N ATOM 480 CA ILE A 31 -0.979 -1.964 -9.475 1.00 0.00 C ATOM 481 C ILE A 31 -0.229 -3.123 -8.812 1.00 0.00 C ATOM 482 O ILE A 31 -0.699 -3.698 -7.849 1.00 0.00 O ATOM 483 CB ILE A 31 -0.818 -0.707 -8.612 1.00 0.00 C ATOM 484 CG1 ILE A 31 -1.765 0.392 -9.108 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.628 -0.213 -8.701 1.00 0.00 C ATOM 486 CD1 ILE A 31 -1.893 1.492 -8.046 1.00 0.00 C ATOM 0 H ILE A 31 -2.804 -2.793 -8.750 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.580 -1.767 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.061 -0.948 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.388 0.816 -10.039 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.746 -0.032 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.745 0.681 -8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.301 -0.991 -8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.869 0.023 -9.737 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.567 2.269 -8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.291 1.065 -7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.912 1.925 -7.851 1.00 0.00 H new ATOM 498 N VAL A 32 0.926 -3.473 -9.318 1.00 0.00 N ATOM 499 CA VAL A 32 1.696 -4.602 -8.711 1.00 0.00 C ATOM 500 C VAL A 32 2.928 -4.062 -7.983 1.00 0.00 C ATOM 501 O VAL A 32 3.644 -3.222 -8.493 1.00 0.00 O ATOM 502 CB VAL A 32 2.136 -5.573 -9.807 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.760 -6.812 -9.162 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.923 -5.993 -10.637 1.00 0.00 C ATOM 0 H VAL A 32 1.368 -3.028 -10.122 1.00 0.00 H new ATOM 0 HA VAL A 32 1.058 -5.124 -7.998 1.00 0.00 H new ATOM 0 HB VAL A 32 2.866 -5.085 -10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.075 -7.507 -9.940 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.624 -6.516 -8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.025 -7.296 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.238 -6.685 -11.418 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.193 -6.482 -9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.472 -5.112 -11.094 1.00 0.00 H new ATOM 514 N VAL A 33 3.178 -4.546 -6.792 1.00 0.00 N ATOM 515 CA VAL A 33 4.365 -4.077 -6.016 1.00 0.00 C ATOM 516 C VAL A 33 5.422 -5.190 -5.980 1.00 0.00 C ATOM 517 O VAL A 33 5.349 -6.075 -5.149 1.00 0.00 O ATOM 518 CB VAL A 33 3.939 -3.734 -4.584 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.133 -3.161 -3.811 1.00 0.00 C ATOM 520 CG2 VAL A 33 2.810 -2.701 -4.617 1.00 0.00 C ATOM 0 H VAL A 33 2.608 -5.249 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 33 4.783 -3.190 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 33 3.589 -4.639 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.825 -2.919 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.935 -3.898 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.488 -2.258 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.509 -2.459 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.158 -1.797 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.958 -3.110 -5.160 1.00 0.00 H new ATOM 530 N PRO A 34 6.378 -5.106 -6.880 1.00 0.00 N ATOM 531 CA PRO A 34 7.432 -6.147 -6.889 1.00 0.00 C ATOM 532 C PRO A 34 8.462 -5.865 -5.790 1.00 0.00 C ATOM 533 O PRO A 34 8.862 -6.755 -5.063 1.00 0.00 O ATOM 534 CB PRO A 34 8.074 -6.041 -8.273 1.00 0.00 C ATOM 535 CG PRO A 34 7.775 -4.619 -8.777 1.00 0.00 C ATOM 536 CD PRO A 34 6.570 -4.112 -7.971 1.00 0.00 C ATOM 0 HA PRO A 34 7.035 -7.144 -6.699 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.148 -6.217 -8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.663 -6.789 -8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.638 -3.968 -8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.553 -4.625 -9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.758 -3.117 -7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.681 -4.039 -8.597 1.00 0.00 H new ATOM 544 N ASN A 35 8.889 -4.633 -5.664 1.00 0.00 N ATOM 545 CA ASN A 35 9.890 -4.289 -4.612 1.00 0.00 C ATOM 546 C ASN A 35 9.177 -3.602 -3.439 1.00 0.00 C ATOM 547 O ASN A 35 9.470 -2.484 -3.083 1.00 0.00 O ATOM 548 CB ASN A 35 10.962 -3.361 -5.213 1.00 0.00 C ATOM 549 CG ASN A 35 12.346 -4.000 -5.056 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.691 -4.479 -3.992 1.00 0.00 O ATOM 551 ND2 ASN A 35 13.156 -4.030 -6.078 1.00 0.00 N ATOM 0 H ASN A 35 8.586 -3.851 -6.245 1.00 0.00 H new ATOM 0 HA ASN A 35 10.375 -5.194 -4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.751 -3.181 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.939 -2.392 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.079 -4.455 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.867 -3.628 -6.970 1.00 0.00 H new ATOM 558 N ARG A 36 8.234 -4.277 -2.841 1.00 0.00 N ATOM 559 CA ARG A 36 7.471 -3.692 -1.685 1.00 0.00 C ATOM 560 C ARG A 36 8.412 -3.146 -0.598 1.00 0.00 C ATOM 561 O ARG A 36 8.012 -2.336 0.218 1.00 0.00 O ATOM 562 CB ARG A 36 6.567 -4.768 -1.058 1.00 0.00 C ATOM 563 CG ARG A 36 7.330 -6.091 -0.849 1.00 0.00 C ATOM 564 CD ARG A 36 7.907 -6.152 0.566 1.00 0.00 C ATOM 565 NE ARG A 36 8.979 -7.189 0.606 1.00 0.00 N ATOM 566 CZ ARG A 36 9.524 -7.531 1.740 1.00 0.00 C ATOM 567 NH1 ARG A 36 8.778 -7.947 2.727 1.00 0.00 N ATOM 568 NH2 ARG A 36 10.820 -7.461 1.888 1.00 0.00 N ATOM 0 H ARG A 36 7.951 -5.221 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 36 6.873 -2.868 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.184 -4.412 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.705 -4.941 -1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.660 -6.935 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.133 -6.175 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.311 -5.181 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.122 -6.393 1.283 1.00 0.00 H new ATOM 0 HE ARG A 36 9.287 -7.633 -0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.766 -8.005 2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.207 -8.214 3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.405 -7.139 1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.247 -7.728 2.775 1.00 0.00 H new ATOM 582 N GLU A 37 9.632 -3.608 -0.553 1.00 0.00 N ATOM 583 CA GLU A 37 10.578 -3.145 0.516 1.00 0.00 C ATOM 584 C GLU A 37 11.366 -1.886 0.104 1.00 0.00 C ATOM 585 O GLU A 37 11.755 -1.104 0.950 1.00 0.00 O ATOM 586 CB GLU A 37 11.564 -4.274 0.829 1.00 0.00 C ATOM 587 CG GLU A 37 12.372 -3.929 2.090 1.00 0.00 C ATOM 588 CD GLU A 37 12.302 -5.090 3.087 1.00 0.00 C ATOM 589 OE1 GLU A 37 11.238 -5.303 3.644 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.313 -5.748 3.274 1.00 0.00 O ATOM 0 H GLU A 37 10.020 -4.287 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 37 9.984 -2.886 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.024 -5.209 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.237 -4.425 -0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.410 -3.728 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.979 -3.021 2.547 1.00 0.00 H new ATOM 597 N ARG A 38 11.630 -1.689 -1.167 1.00 0.00 N ATOM 598 CA ARG A 38 12.425 -0.485 -1.590 1.00 0.00 C ATOM 599 C ARG A 38 11.505 0.681 -1.977 1.00 0.00 C ATOM 600 O ARG A 38 11.741 1.815 -1.609 1.00 0.00 O ATOM 601 CB ARG A 38 13.300 -0.855 -2.791 1.00 0.00 C ATOM 602 CG ARG A 38 14.505 -1.679 -2.322 1.00 0.00 C ATOM 603 CD ARG A 38 15.742 -0.780 -2.232 1.00 0.00 C ATOM 604 NE ARG A 38 16.841 -1.508 -1.536 1.00 0.00 N ATOM 605 CZ ARG A 38 17.880 -0.854 -1.093 1.00 0.00 C ATOM 606 NH1 ARG A 38 17.741 0.010 -0.125 1.00 0.00 N ATOM 607 NH2 ARG A 38 19.056 -1.063 -1.618 1.00 0.00 N ATOM 0 H ARG A 38 11.333 -2.303 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 38 13.044 -0.170 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.718 -1.425 -3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.640 0.049 -3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 38 14.296 -2.125 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.689 -2.499 -3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.063 -0.486 -3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.500 0.135 -1.692 1.00 0.00 H new ATOM 0 HE ARG A 38 16.781 -2.518 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.821 0.174 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.552 0.522 0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 38 19.164 -1.738 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.868 -0.551 -1.271 1.00 0.00 H new ATOM 621 N PHE A 39 10.474 0.411 -2.735 1.00 0.00 N ATOM 622 CA PHE A 39 9.524 1.483 -3.191 1.00 0.00 C ATOM 623 C PHE A 39 9.120 2.408 -2.019 1.00 0.00 C ATOM 624 O PHE A 39 9.118 3.618 -2.156 1.00 0.00 O ATOM 625 CB PHE A 39 8.282 0.787 -3.806 1.00 0.00 C ATOM 626 CG PHE A 39 7.076 1.710 -3.853 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.282 1.869 -2.710 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.759 2.402 -5.027 1.00 0.00 C ATOM 629 CE1 PHE A 39 5.170 2.718 -2.741 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.646 3.250 -5.058 1.00 0.00 C ATOM 631 CZ PHE A 39 4.852 3.408 -3.915 1.00 0.00 C ATOM 0 H PHE A 39 10.242 -0.525 -3.066 1.00 0.00 H new ATOM 0 HA PHE A 39 10.006 2.115 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.519 0.449 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.037 -0.100 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.528 1.336 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.372 2.282 -5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.558 2.840 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.399 3.783 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.994 4.063 -3.940 1.00 0.00 H new ATOM 641 N VAL A 40 8.755 1.852 -0.893 1.00 0.00 N ATOM 642 CA VAL A 40 8.326 2.702 0.265 1.00 0.00 C ATOM 643 C VAL A 40 9.444 3.683 0.636 1.00 0.00 C ATOM 644 O VAL A 40 9.246 4.881 0.657 1.00 0.00 O ATOM 645 CB VAL A 40 8.003 1.805 1.471 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.532 2.658 2.661 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.893 0.822 1.093 1.00 0.00 C ATOM 0 H VAL A 40 8.734 0.847 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 40 7.436 3.266 -0.016 1.00 0.00 H new ATOM 0 HB VAL A 40 8.904 1.261 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.307 2.009 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.319 3.359 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.636 3.211 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.664 0.186 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.000 1.376 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.223 0.203 0.259 1.00 0.00 H new ATOM 657 N GLN A 41 10.606 3.174 0.943 1.00 0.00 N ATOM 658 CA GLN A 41 11.745 4.057 1.343 1.00 0.00 C ATOM 659 C GLN A 41 12.273 4.881 0.157 1.00 0.00 C ATOM 660 O GLN A 41 13.142 5.716 0.333 1.00 0.00 O ATOM 661 CB GLN A 41 12.879 3.187 1.896 1.00 0.00 C ATOM 662 CG GLN A 41 12.788 3.129 3.421 1.00 0.00 C ATOM 663 CD GLN A 41 13.350 4.422 4.015 1.00 0.00 C ATOM 664 OE1 GLN A 41 14.487 4.774 3.767 1.00 0.00 O ATOM 665 NE2 GLN A 41 12.598 5.148 4.797 1.00 0.00 N ATOM 0 H GLN A 41 10.819 2.177 0.935 1.00 0.00 H new ATOM 0 HA GLN A 41 11.385 4.753 2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.815 2.182 1.480 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.844 3.596 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.751 2.995 3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.346 2.271 3.797 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.644 4.853 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.964 6.010 5.200 1.00 0.00 H new ATOM 674 N GLU A 42 11.783 4.660 -1.042 1.00 0.00 N ATOM 675 CA GLU A 42 12.302 5.442 -2.207 1.00 0.00 C ATOM 676 C GLU A 42 11.155 5.981 -3.070 1.00 0.00 C ATOM 677 O GLU A 42 11.366 6.346 -4.213 1.00 0.00 O ATOM 678 CB GLU A 42 13.188 4.536 -3.062 1.00 0.00 C ATOM 679 CG GLU A 42 14.579 4.440 -2.434 1.00 0.00 C ATOM 680 CD GLU A 42 15.355 3.295 -3.086 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.312 3.195 -4.301 1.00 0.00 O ATOM 682 OE2 GLU A 42 15.978 2.539 -2.360 1.00 0.00 O ATOM 0 H GLU A 42 11.055 3.980 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 42 12.873 6.289 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.744 3.544 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.261 4.933 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.116 5.379 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.494 4.271 -1.361 1.00 0.00 H new ATOM 689 N VAL A 43 9.950 6.041 -2.551 1.00 0.00 N ATOM 690 CA VAL A 43 8.813 6.565 -3.377 1.00 0.00 C ATOM 691 C VAL A 43 7.729 7.195 -2.491 1.00 0.00 C ATOM 692 O VAL A 43 7.124 8.184 -2.863 1.00 0.00 O ATOM 693 CB VAL A 43 8.186 5.420 -4.185 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.155 5.991 -5.163 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.270 4.684 -4.976 1.00 0.00 C ATOM 0 H VAL A 43 9.706 5.754 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 43 9.210 7.328 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 43 7.702 4.725 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.709 5.179 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.376 6.512 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.645 6.689 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.817 3.873 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.758 5.380 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.008 4.274 -4.287 1.00 0.00 H new ATOM 705 N LEU A 44 7.451 6.619 -1.348 1.00 0.00 N ATOM 706 CA LEU A 44 6.373 7.175 -0.474 1.00 0.00 C ATOM 707 C LEU A 44 6.748 8.575 0.045 1.00 0.00 C ATOM 708 O LEU A 44 5.949 9.486 -0.056 1.00 0.00 O ATOM 709 CB LEU A 44 6.126 6.224 0.699 1.00 0.00 C ATOM 710 CG LEU A 44 4.730 6.477 1.274 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.671 6.108 0.231 1.00 0.00 C ATOM 712 CD2 LEU A 44 4.532 5.617 2.523 1.00 0.00 C ATOM 0 H LEU A 44 7.922 5.791 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 44 5.461 7.270 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.212 5.189 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.882 6.376 1.470 1.00 0.00 H new ATOM 0 HG LEU A 44 4.631 7.531 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.678 6.289 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.811 6.718 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.770 5.054 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.538 5.796 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.632 4.564 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.285 5.877 3.267 1.00 0.00 H new ATOM 724 N PRO A 45 7.941 8.710 0.590 1.00 0.00 N ATOM 725 CA PRO A 45 8.328 10.052 1.106 1.00 0.00 C ATOM 726 C PRO A 45 8.624 11.028 -0.041 1.00 0.00 C ATOM 727 O PRO A 45 8.674 12.228 0.160 1.00 0.00 O ATOM 728 CB PRO A 45 9.593 9.804 1.927 1.00 0.00 C ATOM 729 CG PRO A 45 10.198 8.495 1.397 1.00 0.00 C ATOM 730 CD PRO A 45 9.052 7.730 0.719 1.00 0.00 C ATOM 0 HA PRO A 45 7.527 10.502 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.296 10.630 1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.359 9.723 2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.002 8.697 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.629 7.909 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.356 7.351 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.749 6.869 1.315 1.00 0.00 H new ATOM 738 N LYS A 46 8.833 10.529 -1.236 1.00 0.00 N ATOM 739 CA LYS A 46 9.140 11.431 -2.386 1.00 0.00 C ATOM 740 C LYS A 46 7.886 12.213 -2.816 1.00 0.00 C ATOM 741 O LYS A 46 7.973 13.119 -3.626 1.00 0.00 O ATOM 742 CB LYS A 46 9.656 10.585 -3.562 1.00 0.00 C ATOM 743 CG LYS A 46 11.053 11.063 -3.975 1.00 0.00 C ATOM 744 CD LYS A 46 11.782 9.943 -4.721 1.00 0.00 C ATOM 745 CE LYS A 46 13.092 10.483 -5.298 1.00 0.00 C ATOM 746 NZ LYS A 46 12.794 11.599 -6.240 1.00 0.00 N ATOM 0 H LYS A 46 8.804 9.535 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 46 9.901 12.149 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.691 9.534 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.971 10.664 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.973 11.945 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.623 11.357 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.985 9.113 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.152 9.555 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.739 10.834 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.629 9.688 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.542 11.654 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.879 11.427 -6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.753 12.495 -5.714 1.00 0.00 H new ATOM 760 N TYR A 47 6.728 11.879 -2.293 1.00 0.00 N ATOM 761 CA TYR A 47 5.489 12.614 -2.690 1.00 0.00 C ATOM 762 C TYR A 47 4.799 13.181 -1.448 1.00 0.00 C ATOM 763 O TYR A 47 4.377 14.322 -1.429 1.00 0.00 O ATOM 764 CB TYR A 47 4.536 11.655 -3.406 1.00 0.00 C ATOM 765 CG TYR A 47 4.979 11.489 -4.838 1.00 0.00 C ATOM 766 CD1 TYR A 47 6.070 10.668 -5.141 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.299 12.160 -5.863 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.482 10.515 -6.470 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.711 12.009 -7.192 1.00 0.00 C ATOM 770 CZ TYR A 47 5.804 11.185 -7.496 1.00 0.00 C ATOM 771 OH TYR A 47 6.213 11.038 -8.807 1.00 0.00 O ATOM 0 H TYR A 47 6.591 11.132 -1.612 1.00 0.00 H new ATOM 0 HA TYR A 47 5.757 13.433 -3.357 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.527 10.689 -2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.518 12.042 -3.371 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.594 10.152 -4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.457 12.794 -5.627 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.323 9.880 -6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.188 12.527 -7.982 1.00 0.00 H new ATOM 0 HH TYR A 47 5.634 11.570 -9.392 1.00 0.00 H new ATOM 781 N PHE A 48 4.678 12.390 -0.415 1.00 0.00 N ATOM 782 CA PHE A 48 4.012 12.868 0.831 1.00 0.00 C ATOM 783 C PHE A 48 5.052 13.494 1.761 1.00 0.00 C ATOM 784 O PHE A 48 6.224 13.558 1.440 1.00 0.00 O ATOM 785 CB PHE A 48 3.345 11.683 1.533 1.00 0.00 C ATOM 786 CG PHE A 48 2.308 11.078 0.618 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.700 10.204 -0.404 1.00 0.00 C ATOM 788 CD2 PHE A 48 0.955 11.392 0.790 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.738 9.644 -1.252 1.00 0.00 C ATOM 790 CE2 PHE A 48 -0.008 10.832 -0.059 1.00 0.00 C ATOM 791 CZ PHE A 48 0.384 9.958 -1.081 1.00 0.00 C ATOM 0 H PHE A 48 5.014 11.428 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 48 3.259 13.615 0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.093 10.935 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.879 12.012 2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.744 9.962 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.653 12.066 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.040 8.969 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.052 11.074 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.358 9.526 -1.737 1.00 0.00 H new ATOM 801 N LYS A 49 4.628 13.952 2.910 1.00 0.00 N ATOM 802 CA LYS A 49 5.579 14.575 3.876 1.00 0.00 C ATOM 803 C LYS A 49 5.584 13.761 5.170 1.00 0.00 C ATOM 804 O LYS A 49 6.621 13.514 5.757 1.00 0.00 O ATOM 805 CB LYS A 49 5.136 16.009 4.180 1.00 0.00 C ATOM 806 CG LYS A 49 5.122 16.827 2.888 1.00 0.00 C ATOM 807 CD LYS A 49 5.280 18.312 3.222 1.00 0.00 C ATOM 808 CE LYS A 49 6.735 18.604 3.602 1.00 0.00 C ATOM 809 NZ LYS A 49 6.765 19.583 4.724 1.00 0.00 N ATOM 0 H LYS A 49 3.657 13.921 3.222 1.00 0.00 H new ATOM 0 HA LYS A 49 6.580 14.590 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.144 16.006 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.813 16.464 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.929 16.503 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.188 16.662 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.989 18.920 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.618 18.582 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.238 17.683 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.274 19.002 2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.752 19.783 4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.299 20.465 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.265 19.186 5.545 1.00 0.00 H new ATOM 823 N HIS A 50 4.428 13.340 5.613 1.00 0.00 N ATOM 824 CA HIS A 50 4.345 12.535 6.865 1.00 0.00 C ATOM 825 C HIS A 50 3.418 11.339 6.632 1.00 0.00 C ATOM 826 O HIS A 50 2.330 11.264 7.175 1.00 0.00 O ATOM 827 CB HIS A 50 3.799 13.412 7.995 1.00 0.00 C ATOM 828 CG HIS A 50 4.851 14.406 8.402 1.00 0.00 C ATOM 829 ND1 HIS A 50 5.958 14.042 9.151 1.00 0.00 N ATOM 830 CD2 HIS A 50 4.986 15.751 8.162 1.00 0.00 C ATOM 831 CE1 HIS A 50 6.705 15.146 9.334 1.00 0.00 C ATOM 832 NE2 HIS A 50 6.158 16.216 8.752 1.00 0.00 N ATOM 0 H HIS A 50 3.533 13.521 5.158 1.00 0.00 H new ATOM 0 HA HIS A 50 5.335 12.173 7.142 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.899 13.931 7.666 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.517 12.794 8.847 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.289 16.356 7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.634 15.164 9.885 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.521 17.169 8.742 1.00 0.00 H new ATOM 840 N SER A 51 3.846 10.404 5.821 1.00 0.00 N ATOM 841 CA SER A 51 3.003 9.207 5.533 1.00 0.00 C ATOM 842 C SER A 51 3.885 7.959 5.477 1.00 0.00 C ATOM 843 O SER A 51 5.003 7.999 4.998 1.00 0.00 O ATOM 844 CB SER A 51 2.304 9.394 4.185 1.00 0.00 C ATOM 845 OG SER A 51 1.508 8.250 3.907 1.00 0.00 O ATOM 0 H SER A 51 4.748 10.420 5.345 1.00 0.00 H new ATOM 0 HA SER A 51 2.259 9.089 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.681 10.288 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.042 9.538 3.396 1.00 0.00 H new ATOM 0 HG SER A 51 1.057 8.367 3.045 1.00 0.00 H new ATOM 851 N ASN A 52 3.385 6.849 5.958 1.00 0.00 N ATOM 852 CA ASN A 52 4.182 5.587 5.934 1.00 0.00 C ATOM 853 C ASN A 52 3.413 4.523 5.146 1.00 0.00 C ATOM 854 O ASN A 52 2.265 4.711 4.793 1.00 0.00 O ATOM 855 CB ASN A 52 4.413 5.099 7.370 1.00 0.00 C ATOM 856 CG ASN A 52 5.828 5.472 7.822 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.531 4.657 8.386 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.279 6.676 7.597 1.00 0.00 N ATOM 0 H ASN A 52 2.455 6.763 6.368 1.00 0.00 H new ATOM 0 HA ASN A 52 5.145 5.769 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.678 5.546 8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.277 4.019 7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.221 6.932 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.690 7.361 7.124 1.00 0.00 H new ATOM 865 N PHE A 53 4.041 3.407 4.868 1.00 0.00 N ATOM 866 CA PHE A 53 3.362 2.318 4.095 1.00 0.00 C ATOM 867 C PHE A 53 2.045 1.919 4.771 1.00 0.00 C ATOM 868 O PHE A 53 1.099 1.524 4.115 1.00 0.00 O ATOM 869 CB PHE A 53 4.284 1.094 4.017 1.00 0.00 C ATOM 870 CG PHE A 53 4.796 0.738 5.395 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.984 0.019 6.281 1.00 0.00 C ATOM 872 CD2 PHE A 53 6.085 1.121 5.783 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.460 -0.313 7.554 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.562 0.788 7.057 1.00 0.00 C ATOM 875 CZ PHE A 53 5.749 0.070 7.942 1.00 0.00 C ATOM 0 H PHE A 53 5.001 3.201 5.145 1.00 0.00 H new ATOM 0 HA PHE A 53 3.146 2.685 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.743 0.248 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.122 1.303 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.990 -0.279 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.712 1.674 5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.832 -0.865 8.238 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.556 1.085 7.356 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.116 -0.188 8.924 1.00 0.00 H new ATOM 885 N ALA A 54 1.981 2.016 6.074 1.00 0.00 N ATOM 886 CA ALA A 54 0.730 1.643 6.797 1.00 0.00 C ATOM 887 C ALA A 54 -0.376 2.644 6.458 1.00 0.00 C ATOM 888 O ALA A 54 -1.513 2.272 6.233 1.00 0.00 O ATOM 889 CB ALA A 54 0.985 1.656 8.305 1.00 0.00 C ATOM 0 H ALA A 54 2.744 2.338 6.669 1.00 0.00 H new ATOM 0 HA ALA A 54 0.421 0.644 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.070 1.383 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.770 0.940 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.297 2.654 8.613 1.00 0.00 H new ATOM 895 N SER A 55 -0.048 3.911 6.414 1.00 0.00 N ATOM 896 CA SER A 55 -1.074 4.944 6.086 1.00 0.00 C ATOM 897 C SER A 55 -1.465 4.829 4.607 1.00 0.00 C ATOM 898 O SER A 55 -2.542 5.231 4.211 1.00 0.00 O ATOM 899 CB SER A 55 -0.498 6.335 6.359 1.00 0.00 C ATOM 900 OG SER A 55 -1.512 7.160 6.918 1.00 0.00 O ATOM 0 H SER A 55 0.889 4.274 6.592 1.00 0.00 H new ATOM 0 HA SER A 55 -1.958 4.789 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.348 6.264 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.124 6.774 5.434 1.00 0.00 H new ATOM 0 HG SER A 55 -1.147 8.052 7.096 1.00 0.00 H new ATOM 906 N PHE A 56 -0.596 4.286 3.791 1.00 0.00 N ATOM 907 CA PHE A 56 -0.907 4.144 2.341 1.00 0.00 C ATOM 908 C PHE A 56 -1.922 3.018 2.147 1.00 0.00 C ATOM 909 O PHE A 56 -2.823 3.111 1.334 1.00 0.00 O ATOM 910 CB PHE A 56 0.385 3.812 1.583 1.00 0.00 C ATOM 911 CG PHE A 56 0.132 3.792 0.090 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.612 4.814 -0.515 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.652 2.753 -0.691 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.838 4.794 -1.896 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.428 2.733 -2.073 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.317 3.754 -2.675 1.00 0.00 C ATOM 0 H PHE A 56 0.319 3.934 4.071 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.327 5.075 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.152 4.550 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.765 2.843 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.011 5.618 0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.227 1.965 -0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.414 5.581 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.830 1.931 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.490 3.739 -3.741 1.00 0.00 H new ATOM 926 N VAL A 57 -1.776 1.955 2.891 1.00 0.00 N ATOM 927 CA VAL A 57 -2.721 0.806 2.769 1.00 0.00 C ATOM 928 C VAL A 57 -4.061 1.164 3.418 1.00 0.00 C ATOM 929 O VAL A 57 -5.095 0.642 3.046 1.00 0.00 O ATOM 930 CB VAL A 57 -2.126 -0.415 3.476 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.013 -1.637 3.219 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.710 -0.686 2.946 1.00 0.00 C ATOM 0 H VAL A 57 -1.037 1.832 3.583 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.881 0.581 1.714 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.076 -0.221 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.590 -2.506 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.015 -1.447 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.067 -1.829 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.292 -1.556 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.753 -0.877 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.078 0.182 3.135 1.00 0.00 H new ATOM 942 N ARG A 58 -4.051 2.045 4.389 1.00 0.00 N ATOM 943 CA ARG A 58 -5.322 2.435 5.069 1.00 0.00 C ATOM 944 C ARG A 58 -6.155 3.319 4.135 1.00 0.00 C ATOM 945 O ARG A 58 -7.329 3.079 3.925 1.00 0.00 O ATOM 946 CB ARG A 58 -4.998 3.202 6.361 1.00 0.00 C ATOM 947 CG ARG A 58 -5.472 2.396 7.575 1.00 0.00 C ATOM 948 CD ARG A 58 -5.444 3.281 8.821 1.00 0.00 C ATOM 949 NE ARG A 58 -5.683 2.441 10.028 1.00 0.00 N ATOM 950 CZ ARG A 58 -6.032 3.001 11.152 1.00 0.00 C ATOM 951 NH1 ARG A 58 -7.040 3.830 11.183 1.00 0.00 N ATOM 952 NH2 ARG A 58 -5.373 2.732 12.247 1.00 0.00 N ATOM 0 H ARG A 58 -3.214 2.511 4.739 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.892 1.539 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.925 3.382 6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.485 4.177 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.482 2.023 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.831 1.526 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.481 3.786 8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.206 4.057 8.747 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.574 1.428 9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.555 4.039 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.313 4.268 12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.586 2.084 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.646 3.170 13.127 1.00 0.00 H new ATOM 966 N GLN A 59 -5.554 4.339 3.576 1.00 0.00 N ATOM 967 CA GLN A 59 -6.305 5.245 2.657 1.00 0.00 C ATOM 968 C GLN A 59 -6.816 4.448 1.455 1.00 0.00 C ATOM 969 O GLN A 59 -7.936 4.624 1.013 1.00 0.00 O ATOM 970 CB GLN A 59 -5.373 6.354 2.163 1.00 0.00 C ATOM 971 CG GLN A 59 -4.954 7.240 3.337 1.00 0.00 C ATOM 972 CD GLN A 59 -6.092 8.197 3.691 1.00 0.00 C ATOM 973 OE1 GLN A 59 -7.182 7.770 4.017 1.00 0.00 O ATOM 974 NE2 GLN A 59 -5.885 9.485 3.638 1.00 0.00 N ATOM 0 H GLN A 59 -4.574 4.583 3.717 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.149 5.682 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.492 5.918 1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.876 6.954 1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.703 6.623 4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.058 7.805 3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.970 9.844 3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.638 10.133 3.870 1.00 0.00 H new ATOM 983 N LEU A 60 -5.999 3.577 0.922 1.00 0.00 N ATOM 984 CA LEU A 60 -6.421 2.765 -0.258 1.00 0.00 C ATOM 985 C LEU A 60 -7.641 1.913 0.102 1.00 0.00 C ATOM 986 O LEU A 60 -8.593 1.837 -0.647 1.00 0.00 O ATOM 987 CB LEU A 60 -5.268 1.852 -0.680 1.00 0.00 C ATOM 988 CG LEU A 60 -4.190 2.682 -1.375 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.905 1.859 -1.489 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.674 3.075 -2.773 1.00 0.00 C ATOM 0 H LEU A 60 -5.053 3.392 1.255 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.683 3.432 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.850 1.350 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.633 1.074 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.991 3.582 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.136 2.452 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.562 1.580 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.100 0.958 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.906 3.667 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.873 2.175 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.588 3.663 -2.690 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.613 1.268 1.238 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.765 0.408 1.649 1.00 0.00 C ATOM 1004 C ASN A 61 -9.986 1.270 2.000 1.00 0.00 C ATOM 1005 O ASN A 61 -11.098 0.778 2.048 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.363 -0.419 2.872 1.00 0.00 C ATOM 1007 CG ASN A 61 -7.755 -1.747 2.417 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -8.306 -2.799 2.670 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -6.634 -1.741 1.751 1.00 0.00 N ATOM 0 H ASN A 61 -6.840 1.299 1.902 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.027 -0.249 0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.644 0.134 3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.234 -0.603 3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.220 -2.620 1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.172 -0.857 1.539 1.00 0.00 H new ATOM 1016 N MET A 62 -9.794 2.542 2.261 1.00 0.00 N ATOM 1017 CA MET A 62 -10.949 3.415 2.628 1.00 0.00 C ATOM 1018 C MET A 62 -11.633 3.975 1.374 1.00 0.00 C ATOM 1019 O MET A 62 -12.798 4.325 1.409 1.00 0.00 O ATOM 1020 CB MET A 62 -10.452 4.579 3.489 1.00 0.00 C ATOM 1021 CG MET A 62 -11.608 5.118 4.340 1.00 0.00 C ATOM 1022 SD MET A 62 -11.491 6.922 4.465 1.00 0.00 S ATOM 1023 CE MET A 62 -12.484 7.106 5.967 1.00 0.00 C ATOM 0 H MET A 62 -8.888 3.010 2.235 1.00 0.00 H new ATOM 0 HA MET A 62 -11.671 2.816 3.182 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.637 4.247 4.132 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.054 5.371 2.854 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.562 4.837 3.894 1.00 0.00 H new ATOM 0 HG3 MET A 62 -11.578 4.673 5.335 1.00 0.00 H new ATOM 0 HE1 MET A 62 -12.547 8.161 6.235 1.00 0.00 H new ATOM 0 HE2 MET A 62 -13.486 6.716 5.790 1.00 0.00 H new ATOM 0 HE3 MET A 62 -12.017 6.552 6.782 1.00 0.00 H new ATOM 1033 N TYR A 63 -10.925 4.078 0.275 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.548 4.634 -0.966 1.00 0.00 C ATOM 1035 C TYR A 63 -12.115 3.506 -1.830 1.00 0.00 C ATOM 1036 O TYR A 63 -13.240 3.576 -2.288 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.498 5.413 -1.759 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.341 6.785 -1.151 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.352 7.738 -1.313 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.190 7.102 -0.422 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.213 9.009 -0.743 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -9.050 8.371 0.149 1.00 0.00 C ATOM 1043 CZ TYR A 63 -10.062 9.327 -0.013 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.926 10.578 0.551 1.00 0.00 O ATOM 0 H TYR A 63 -9.947 3.802 0.184 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.363 5.301 -0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.545 4.883 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.800 5.496 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.240 7.493 -1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.409 6.366 -0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.994 9.744 -0.867 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.163 8.614 0.714 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.069 10.632 1.024 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.348 2.471 -2.057 1.00 0.00 N ATOM 1055 CA GLY A 64 -11.845 1.340 -2.895 1.00 0.00 C ATOM 1056 C GLY A 64 -10.667 0.512 -3.421 1.00 0.00 C ATOM 1057 O GLY A 64 -10.420 0.457 -4.611 1.00 0.00 O ATOM 0 H GLY A 64 -10.400 2.361 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.510 0.707 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.429 1.726 -3.730 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.950 -0.144 -2.543 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.796 -0.987 -2.982 1.00 0.00 C ATOM 1063 C TRP A 65 -8.825 -2.306 -2.209 1.00 0.00 C ATOM 1064 O TRP A 65 -9.025 -2.321 -1.007 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.476 -0.258 -2.702 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.244 0.778 -3.756 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.659 2.064 -3.687 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -6.551 0.639 -5.032 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.267 2.724 -4.839 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -6.581 1.888 -5.699 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -5.908 -0.435 -5.670 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -5.993 2.063 -6.953 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -5.316 -0.263 -6.932 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -5.358 0.983 -7.571 1.00 0.00 C ATOM 0 H TRP A 65 -10.115 -0.132 -1.537 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.872 -1.179 -4.052 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.509 0.210 -1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.651 -0.970 -2.689 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.207 2.504 -2.867 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.461 3.707 -5.030 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -5.869 -1.400 -5.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -6.029 3.026 -7.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.825 -1.096 -7.413 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -4.900 1.109 -8.541 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.639 -3.411 -2.886 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.669 -4.731 -2.189 1.00 0.00 C ATOM 1087 C HIS A 66 -7.476 -5.580 -2.629 1.00 0.00 C ATOM 1088 O HIS A 66 -7.261 -5.801 -3.806 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.962 -5.466 -2.543 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.136 -4.741 -1.947 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.966 -5.329 -1.008 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -11.636 -3.478 -2.151 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.914 -4.432 -0.685 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -12.760 -3.286 -1.354 1.00 0.00 N ATOM 0 H HIS A 66 -8.468 -3.455 -3.891 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.620 -4.565 -1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.072 -5.528 -3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.925 -6.489 -2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.220 -2.746 -2.827 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.704 -4.616 0.028 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.341 -2.450 -1.293 1.00 0.00 H new ATOM 1102 N LYS A 67 -6.709 -6.068 -1.688 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.529 -6.920 -2.038 1.00 0.00 C ATOM 1104 C LYS A 67 -6.022 -8.349 -2.265 1.00 0.00 C ATOM 1105 O LYS A 67 -6.918 -8.816 -1.587 1.00 0.00 O ATOM 1106 CB LYS A 67 -4.490 -6.928 -0.896 1.00 0.00 C ATOM 1107 CG LYS A 67 -4.508 -5.601 -0.119 1.00 0.00 C ATOM 1108 CD LYS A 67 -3.159 -5.389 0.575 1.00 0.00 C ATOM 1109 CE LYS A 67 -2.920 -6.501 1.602 1.00 0.00 C ATOM 1110 NZ LYS A 67 -3.860 -6.336 2.747 1.00 0.00 N ATOM 0 H LYS A 67 -6.848 -5.914 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.054 -6.518 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.700 -7.754 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.495 -7.098 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.712 -4.774 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.310 -5.612 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.357 -5.385 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.143 -4.417 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.065 -7.476 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.890 -6.467 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.530 -6.905 3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.898 -5.334 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.809 -6.653 2.465 1.00 0.00 H new ATOM 1124 N VAL A 68 -5.447 -9.047 -3.209 1.00 0.00 N ATOM 1125 CA VAL A 68 -5.887 -10.446 -3.476 1.00 0.00 C ATOM 1126 C VAL A 68 -4.863 -11.137 -4.384 1.00 0.00 C ATOM 1127 O VAL A 68 -4.194 -10.500 -5.175 1.00 0.00 O ATOM 1128 CB VAL A 68 -7.272 -10.425 -4.145 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -7.206 -9.672 -5.482 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -7.750 -11.862 -4.379 1.00 0.00 C ATOM 0 H VAL A 68 -4.692 -8.708 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.956 -11.000 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.975 -9.911 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.193 -9.665 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.880 -8.647 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.498 -10.169 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.731 -11.846 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.042 -12.380 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.817 -12.383 -3.424 1.00 0.00 H new ATOM 1140 N GLN A 69 -4.734 -12.435 -4.265 1.00 0.00 N ATOM 1141 CA GLN A 69 -3.751 -13.173 -5.110 1.00 0.00 C ATOM 1142 C GLN A 69 -4.317 -14.541 -5.496 1.00 0.00 C ATOM 1143 O GLN A 69 -4.570 -14.809 -6.655 1.00 0.00 O ATOM 1144 CB GLN A 69 -2.454 -13.363 -4.321 1.00 0.00 C ATOM 1145 CG GLN A 69 -1.389 -13.982 -5.227 1.00 0.00 C ATOM 1146 CD GLN A 69 -0.004 -13.715 -4.637 1.00 0.00 C ATOM 1147 OE1 GLN A 69 0.745 -12.913 -5.155 1.00 0.00 O ATOM 1148 NE2 GLN A 69 0.370 -14.360 -3.566 1.00 0.00 N ATOM 0 H GLN A 69 -5.269 -13.014 -3.618 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.553 -12.601 -6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.106 -12.404 -3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.632 -14.006 -3.459 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.555 -15.055 -5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.457 -13.559 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.260 -15.034 -3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.292 -14.190 -3.164 1.00 0.00 H new ATOM 1157 N ASP A 70 -4.507 -15.410 -4.534 1.00 0.00 N ATOM 1158 CA ASP A 70 -5.050 -16.766 -4.844 1.00 0.00 C ATOM 1159 C ASP A 70 -5.410 -17.483 -3.542 1.00 0.00 C ATOM 1160 O ASP A 70 -4.560 -18.048 -2.886 1.00 0.00 O ATOM 1161 CB ASP A 70 -3.988 -17.573 -5.596 1.00 0.00 C ATOM 1162 CG ASP A 70 -4.603 -18.876 -6.110 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -5.513 -18.801 -6.918 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -4.150 -19.929 -5.689 1.00 0.00 O ATOM 0 H ASP A 70 -4.309 -15.238 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.943 -16.671 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.596 -16.990 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.148 -17.791 -4.937 1.00 0.00 H new ATOM 1169 N VAL A 71 -6.675 -17.458 -3.177 1.00 0.00 N ATOM 1170 CA VAL A 71 -7.157 -18.130 -1.918 1.00 0.00 C ATOM 1171 C VAL A 71 -6.209 -17.863 -0.733 1.00 0.00 C ATOM 1172 O VAL A 71 -5.353 -17.002 -0.793 1.00 0.00 O ATOM 1173 CB VAL A 71 -7.312 -19.645 -2.159 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -8.192 -19.870 -3.391 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -5.949 -20.304 -2.395 1.00 0.00 C ATOM 0 H VAL A 71 -7.409 -16.991 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.128 -17.708 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.769 -20.091 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.305 -20.940 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.172 -19.424 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.726 -19.407 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.086 -21.372 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.475 -19.857 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.315 -20.152 -1.521 1.00 0.00 H new ATOM 1185 N LYS A 72 -6.366 -18.597 0.343 1.00 0.00 N ATOM 1186 CA LYS A 72 -5.487 -18.390 1.534 1.00 0.00 C ATOM 1187 C LYS A 72 -4.394 -19.462 1.556 1.00 0.00 C ATOM 1188 O LYS A 72 -4.672 -20.638 1.696 1.00 0.00 O ATOM 1189 CB LYS A 72 -6.327 -18.496 2.812 1.00 0.00 C ATOM 1190 CG LYS A 72 -6.721 -17.096 3.289 1.00 0.00 C ATOM 1191 CD LYS A 72 -5.544 -16.457 4.033 1.00 0.00 C ATOM 1192 CE LYS A 72 -6.055 -15.325 4.929 1.00 0.00 C ATOM 1193 NZ LYS A 72 -5.105 -14.177 4.872 1.00 0.00 N ATOM 0 H LYS A 72 -7.067 -19.331 0.446 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.028 -17.403 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.221 -19.091 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.761 -19.009 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.005 -16.477 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.590 -17.155 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.031 -17.207 4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.817 -16.069 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.045 -15.008 4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.155 -15.677 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.452 -13.408 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.168 -14.485 5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.031 -13.836 3.892 1.00 0.00 H new ATOM 1207 N SER A 73 -3.154 -19.062 1.428 1.00 0.00 N ATOM 1208 CA SER A 73 -2.037 -20.049 1.446 1.00 0.00 C ATOM 1209 C SER A 73 -1.550 -20.234 2.888 1.00 0.00 C ATOM 1210 O SER A 73 -0.469 -19.806 3.250 1.00 0.00 O ATOM 1211 CB SER A 73 -0.889 -19.539 0.572 1.00 0.00 C ATOM 1212 OG SER A 73 -0.327 -18.376 1.165 1.00 0.00 O ATOM 0 H SER A 73 -2.868 -18.090 1.311 1.00 0.00 H new ATOM 0 HA SER A 73 -2.385 -21.005 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.127 -20.311 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.253 -19.311 -0.430 1.00 0.00 H new ATOM 0 HG SER A 73 0.063 -18.608 2.034 1.00 0.00 H new ATOM 1218 N GLY A 74 -2.345 -20.869 3.711 1.00 0.00 N ATOM 1219 CA GLY A 74 -1.940 -21.088 5.131 1.00 0.00 C ATOM 1220 C GLY A 74 -1.250 -22.449 5.284 1.00 0.00 C ATOM 1221 O GLY A 74 -1.145 -22.974 6.377 1.00 0.00 O ATOM 0 H GLY A 74 -3.259 -21.246 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.266 -20.293 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.816 -21.042 5.777 1.00 0.00 H new ATOM 1225 N SER A 75 -0.774 -23.024 4.204 1.00 0.00 N ATOM 1226 CA SER A 75 -0.087 -24.347 4.289 1.00 0.00 C ATOM 1227 C SER A 75 0.363 -24.773 2.887 1.00 0.00 C ATOM 1228 O SER A 75 -0.153 -25.717 2.318 1.00 0.00 O ATOM 1229 CB SER A 75 -1.041 -25.398 4.869 1.00 0.00 C ATOM 1230 OG SER A 75 -2.361 -25.140 4.407 1.00 0.00 O ATOM 0 H SER A 75 -0.834 -22.630 3.265 1.00 0.00 H new ATOM 0 HA SER A 75 0.781 -24.262 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.727 -26.397 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.013 -25.370 5.958 1.00 0.00 H new ATOM 0 HG SER A 75 -2.973 -25.811 4.775 1.00 0.00 H new ATOM 1236 N MET A 76 1.320 -24.076 2.328 1.00 0.00 N ATOM 1237 CA MET A 76 1.809 -24.429 0.962 1.00 0.00 C ATOM 1238 C MET A 76 3.138 -23.715 0.689 1.00 0.00 C ATOM 1239 O MET A 76 3.173 -22.530 0.415 1.00 0.00 O ATOM 1240 CB MET A 76 0.770 -23.995 -0.077 1.00 0.00 C ATOM 1241 CG MET A 76 1.061 -24.686 -1.411 1.00 0.00 C ATOM 1242 SD MET A 76 0.654 -26.445 -1.280 1.00 0.00 S ATOM 1243 CE MET A 76 1.113 -26.911 -2.968 1.00 0.00 C ATOM 0 H MET A 76 1.784 -23.277 2.760 1.00 0.00 H new ATOM 0 HA MET A 76 1.961 -25.506 0.898 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.232 -24.252 0.266 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.796 -22.913 -0.203 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.476 -24.225 -2.207 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.111 -24.563 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.939 -27.978 -3.111 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.509 -26.347 -3.678 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.168 -26.690 -3.133 1.00 0.00 H new ATOM 1253 N LEU A 77 4.230 -24.435 0.764 1.00 0.00 N ATOM 1254 CA LEU A 77 5.567 -23.817 0.512 1.00 0.00 C ATOM 1255 C LEU A 77 5.635 -23.304 -0.932 1.00 0.00 C ATOM 1256 O LEU A 77 4.647 -23.292 -1.639 1.00 0.00 O ATOM 1257 CB LEU A 77 6.658 -24.869 0.737 1.00 0.00 C ATOM 1258 CG LEU A 77 6.903 -25.044 2.237 1.00 0.00 C ATOM 1259 CD1 LEU A 77 7.506 -26.426 2.498 1.00 0.00 C ATOM 1260 CD2 LEU A 77 7.874 -23.967 2.723 1.00 0.00 C ATOM 0 H LEU A 77 4.252 -25.429 0.990 1.00 0.00 H new ATOM 0 HA LEU A 77 5.718 -22.981 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.358 -25.819 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.579 -24.563 0.241 1.00 0.00 H new ATOM 0 HG LEU A 77 5.958 -24.952 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.681 -26.551 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.816 -27.195 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.451 -26.518 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.049 -24.091 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.819 -24.060 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.447 -22.981 2.537 1.00 0.00 H new ATOM 1272 N SER A 78 6.797 -22.875 -1.369 1.00 0.00 N ATOM 1273 CA SER A 78 6.943 -22.355 -2.766 1.00 0.00 C ATOM 1274 C SER A 78 6.095 -21.092 -2.928 1.00 0.00 C ATOM 1275 O SER A 78 4.938 -21.156 -3.297 1.00 0.00 O ATOM 1276 CB SER A 78 6.484 -23.412 -3.775 1.00 0.00 C ATOM 1277 OG SER A 78 6.912 -24.696 -3.339 1.00 0.00 O ATOM 0 H SER A 78 7.653 -22.863 -0.815 1.00 0.00 H new ATOM 0 HA SER A 78 7.992 -22.122 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.399 -23.391 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.896 -23.194 -4.760 1.00 0.00 H new ATOM 0 HG SER A 78 6.618 -25.375 -3.982 1.00 0.00 H new ATOM 1283 N ASN A 79 6.665 -19.946 -2.650 1.00 0.00 N ATOM 1284 CA ASN A 79 5.898 -18.673 -2.782 1.00 0.00 C ATOM 1285 C ASN A 79 6.869 -17.502 -2.967 1.00 0.00 C ATOM 1286 O ASN A 79 7.906 -17.441 -2.335 1.00 0.00 O ATOM 1287 CB ASN A 79 5.066 -18.450 -1.517 1.00 0.00 C ATOM 1288 CG ASN A 79 3.651 -18.987 -1.736 1.00 0.00 C ATOM 1289 OD1 ASN A 79 3.029 -18.698 -2.739 1.00 0.00 O ATOM 1290 ND2 ASN A 79 3.113 -19.762 -0.835 1.00 0.00 N ATOM 0 H ASN A 79 7.630 -19.839 -2.337 1.00 0.00 H new ATOM 0 HA ASN A 79 5.239 -18.735 -3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.531 -18.954 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.030 -17.388 -1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.170 -20.126 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.635 -20.004 0.007 1.00 0.00 H new ATOM 1297 N ASN A 80 6.533 -16.575 -3.827 1.00 0.00 N ATOM 1298 CA ASN A 80 7.426 -15.402 -4.061 1.00 0.00 C ATOM 1299 C ASN A 80 7.505 -14.557 -2.787 1.00 0.00 C ATOM 1300 O ASN A 80 8.561 -14.089 -2.409 1.00 0.00 O ATOM 1301 CB ASN A 80 6.858 -14.550 -5.198 1.00 0.00 C ATOM 1302 CG ASN A 80 7.122 -15.238 -6.537 1.00 0.00 C ATOM 1303 OD1 ASN A 80 8.254 -15.348 -6.966 1.00 0.00 O ATOM 1304 ND2 ASN A 80 6.117 -15.709 -7.224 1.00 0.00 N ATOM 0 H ASN A 80 5.675 -16.581 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 80 8.423 -15.753 -4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.787 -14.405 -5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.317 -13.561 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.282 -16.169 -8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.167 -15.617 -6.865 1.00 0.00 H new ATOM 1311 N ASP A 81 6.390 -14.358 -2.129 1.00 0.00 N ATOM 1312 CA ASP A 81 6.378 -13.542 -0.877 1.00 0.00 C ATOM 1313 C ASP A 81 6.896 -12.131 -1.171 1.00 0.00 C ATOM 1314 O ASP A 81 7.468 -11.480 -0.317 1.00 0.00 O ATOM 1315 CB ASP A 81 7.266 -14.203 0.181 1.00 0.00 C ATOM 1316 CG ASP A 81 6.468 -15.280 0.918 1.00 0.00 C ATOM 1317 OD1 ASP A 81 5.824 -14.945 1.899 1.00 0.00 O ATOM 1318 OD2 ASP A 81 6.513 -16.421 0.489 1.00 0.00 O ATOM 0 H ASP A 81 5.482 -14.729 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 81 5.356 -13.480 -0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.144 -14.645 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.626 -13.455 0.887 1.00 0.00 H new ATOM 1323 N SER A 82 6.699 -11.659 -2.376 1.00 0.00 N ATOM 1324 CA SER A 82 7.174 -10.292 -2.741 1.00 0.00 C ATOM 1325 C SER A 82 6.329 -9.756 -3.900 1.00 0.00 C ATOM 1326 O SER A 82 6.830 -9.094 -4.790 1.00 0.00 O ATOM 1327 CB SER A 82 8.641 -10.361 -3.171 1.00 0.00 C ATOM 1328 OG SER A 82 8.911 -11.645 -3.720 1.00 0.00 O ATOM 0 H SER A 82 6.227 -12.165 -3.125 1.00 0.00 H new ATOM 0 HA SER A 82 7.078 -9.630 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.853 -9.586 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.291 -10.174 -2.316 1.00 0.00 H new ATOM 0 HG SER A 82 8.844 -12.323 -3.015 1.00 0.00 H new ATOM 1334 N ARG A 83 5.052 -10.044 -3.896 1.00 0.00 N ATOM 1335 CA ARG A 83 4.167 -9.562 -4.998 1.00 0.00 C ATOM 1336 C ARG A 83 2.816 -9.125 -4.425 1.00 0.00 C ATOM 1337 O ARG A 83 1.860 -9.878 -4.427 1.00 0.00 O ATOM 1338 CB ARG A 83 3.951 -10.697 -6.004 1.00 0.00 C ATOM 1339 CG ARG A 83 4.971 -10.582 -7.148 1.00 0.00 C ATOM 1340 CD ARG A 83 5.700 -11.917 -7.329 1.00 0.00 C ATOM 1341 NE ARG A 83 7.110 -11.662 -7.739 1.00 0.00 N ATOM 1342 CZ ARG A 83 7.929 -12.662 -7.922 1.00 0.00 C ATOM 1343 NH1 ARG A 83 7.699 -13.531 -8.868 1.00 0.00 N ATOM 1344 NH2 ARG A 83 8.982 -12.789 -7.161 1.00 0.00 N ATOM 0 H ARG A 83 4.584 -10.593 -3.175 1.00 0.00 H new ATOM 0 HA ARG A 83 4.637 -8.713 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.057 -11.661 -5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.938 -10.653 -6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.465 -10.305 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.689 -9.792 -6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.678 -12.485 -6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.194 -12.520 -8.083 1.00 0.00 H new ATOM 0 HE ARG A 83 7.435 -10.705 -7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.879 -13.429 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.340 -14.312 -9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.164 -12.107 -6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.623 -13.570 -7.303 1.00 0.00 H new ATOM 1358 N TRP A 84 2.730 -7.908 -3.945 1.00 0.00 N ATOM 1359 CA TRP A 84 1.441 -7.412 -3.381 1.00 0.00 C ATOM 1360 C TRP A 84 0.559 -6.912 -4.525 1.00 0.00 C ATOM 1361 O TRP A 84 0.827 -5.887 -5.123 1.00 0.00 O ATOM 1362 CB TRP A 84 1.706 -6.261 -2.407 1.00 0.00 C ATOM 1363 CG TRP A 84 2.453 -6.763 -1.213 1.00 0.00 C ATOM 1364 CD1 TRP A 84 3.639 -7.413 -1.248 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.085 -6.661 0.192 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.020 -7.719 0.045 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.094 -7.276 0.969 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.982 -6.099 0.861 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.014 -7.332 2.361 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.897 -6.153 2.261 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.912 -6.769 3.010 1.00 0.00 C ATOM 0 H TRP A 84 3.499 -7.238 -3.921 1.00 0.00 H new ATOM 0 HA TRP A 84 0.942 -8.222 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.281 -5.479 -2.903 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.762 -5.814 -2.094 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.197 -7.654 -2.141 1.00 0.00 H new ATOM 0 HE1 TRP A 84 4.880 -8.212 0.287 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.196 -5.623 0.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.798 -7.807 2.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.046 -5.718 2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.841 -6.808 4.087 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.486 -7.631 -4.838 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.389 -7.204 -5.945 1.00 0.00 C ATOM 1384 C GLU A 85 -2.401 -6.186 -5.416 1.00 0.00 C ATOM 1385 O GLU A 85 -2.898 -6.307 -4.312 1.00 0.00 O ATOM 1386 CB GLU A 85 -2.132 -8.424 -6.498 1.00 0.00 C ATOM 1387 CG GLU A 85 -1.225 -9.193 -7.472 1.00 0.00 C ATOM 1388 CD GLU A 85 -0.996 -10.619 -6.959 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -0.151 -10.787 -6.095 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -1.671 -11.515 -7.437 1.00 0.00 O ATOM 0 H GLU A 85 -0.753 -8.498 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.798 -6.748 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.437 -9.076 -5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.041 -8.106 -7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.682 -9.222 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.270 -8.678 -7.577 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.704 -5.180 -6.197 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.679 -4.142 -5.753 1.00 0.00 C ATOM 1399 C PHE A 86 -4.841 -4.083 -6.746 1.00 0.00 C ATOM 1400 O PHE A 86 -4.818 -3.319 -7.694 1.00 0.00 O ATOM 1401 CB PHE A 86 -2.984 -2.777 -5.705 1.00 0.00 C ATOM 1402 CG PHE A 86 -1.959 -2.759 -4.593 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -0.837 -3.594 -4.654 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -2.132 -1.900 -3.498 1.00 0.00 C ATOM 1405 CE1 PHE A 86 0.110 -3.571 -3.622 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -1.182 -1.880 -2.469 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.063 -2.715 -2.531 1.00 0.00 C ATOM 0 H PHE A 86 -2.315 -5.034 -7.128 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.055 -4.395 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.501 -2.572 -6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.721 -1.990 -5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.702 -4.256 -5.497 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.997 -1.255 -3.448 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.975 -4.216 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.314 -1.218 -1.626 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.668 -2.699 -1.736 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.855 -4.886 -6.538 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.022 -4.884 -7.467 1.00 0.00 C ATOM 1419 C GLU A 87 -7.913 -3.678 -7.169 1.00 0.00 C ATOM 1420 O GLU A 87 -7.892 -3.135 -6.079 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.826 -6.171 -7.275 1.00 0.00 C ATOM 1422 CG GLU A 87 -8.858 -6.301 -8.395 1.00 0.00 C ATOM 1423 CD GLU A 87 -9.414 -7.726 -8.411 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -10.012 -8.118 -7.422 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -9.232 -8.401 -9.411 1.00 0.00 O ATOM 0 H GLU A 87 -5.923 -5.544 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.666 -4.825 -8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.159 -7.033 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.325 -6.159 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.666 -5.585 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.400 -6.067 -9.356 1.00 0.00 H new ATOM 1432 N ASN A 88 -8.697 -3.256 -8.129 1.00 0.00 N ATOM 1433 CA ASN A 88 -9.595 -2.085 -7.910 1.00 0.00 C ATOM 1434 C ASN A 88 -10.845 -2.229 -8.781 1.00 0.00 C ATOM 1435 O ASN A 88 -10.819 -1.961 -9.967 1.00 0.00 O ATOM 1436 CB ASN A 88 -8.856 -0.799 -8.287 1.00 0.00 C ATOM 1437 CG ASN A 88 -9.720 0.416 -7.938 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -10.619 0.326 -7.126 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -9.483 1.558 -8.523 1.00 0.00 N ATOM 0 H ASN A 88 -8.753 -3.675 -9.057 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.887 -2.043 -6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.906 -0.746 -7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.626 -0.800 -9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.052 2.374 -8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.728 1.635 -9.205 1.00 0.00 H new ATOM 1446 N GLU A 89 -11.941 -2.647 -8.196 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.206 -2.811 -8.976 1.00 0.00 C ATOM 1448 C GLU A 89 -13.002 -3.840 -10.092 1.00 0.00 C ATOM 1449 O GLU A 89 -12.346 -3.576 -11.081 1.00 0.00 O ATOM 1450 CB GLU A 89 -13.613 -1.468 -9.588 1.00 0.00 C ATOM 1451 CG GLU A 89 -15.134 -1.421 -9.748 1.00 0.00 C ATOM 1452 CD GLU A 89 -15.512 -0.268 -10.679 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -15.321 0.870 -10.287 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -15.986 -0.544 -11.769 1.00 0.00 O ATOM 0 H GLU A 89 -12.013 -2.883 -7.206 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.993 -3.159 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.278 -0.649 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.130 -1.336 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.497 -2.365 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.609 -1.289 -8.776 1.00 0.00 H new ATOM 1461 N ARG A 90 -13.570 -5.008 -9.938 1.00 0.00 N ATOM 1462 CA ARG A 90 -13.428 -6.065 -10.983 1.00 0.00 C ATOM 1463 C ARG A 90 -14.618 -5.966 -11.951 1.00 0.00 C ATOM 1464 O ARG A 90 -15.220 -4.916 -12.086 1.00 0.00 O ATOM 1465 CB ARG A 90 -13.392 -7.443 -10.298 1.00 0.00 C ATOM 1466 CG ARG A 90 -14.696 -7.684 -9.522 1.00 0.00 C ATOM 1467 CD ARG A 90 -14.374 -8.161 -8.103 1.00 0.00 C ATOM 1468 NE ARG A 90 -15.406 -9.140 -7.661 1.00 0.00 N ATOM 1469 CZ ARG A 90 -15.415 -9.563 -6.427 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -15.774 -8.757 -5.465 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -15.064 -10.789 -6.153 1.00 0.00 N ATOM 0 H ARG A 90 -14.129 -5.276 -9.128 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.504 -5.931 -11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.255 -8.225 -11.045 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.541 -7.498 -9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.282 -6.766 -9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.304 -8.428 -10.037 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.386 -8.622 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.347 -7.312 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.105 -9.479 -8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.047 -7.798 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.781 -9.086 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.782 -11.419 -6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.072 -11.118 -5.188 1.00 0.00 H new ATOM 1485 N HIS A 91 -14.964 -7.036 -12.628 1.00 0.00 N ATOM 1486 CA HIS A 91 -16.114 -6.982 -13.580 1.00 0.00 C ATOM 1487 C HIS A 91 -17.411 -7.347 -12.843 1.00 0.00 C ATOM 1488 O HIS A 91 -18.170 -8.190 -13.285 1.00 0.00 O ATOM 1489 CB HIS A 91 -15.869 -7.965 -14.734 1.00 0.00 C ATOM 1490 CG HIS A 91 -15.708 -9.361 -14.194 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -14.482 -9.864 -13.787 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -16.615 -10.370 -13.984 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -14.684 -11.123 -13.357 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -15.967 -11.481 -13.456 1.00 0.00 N ATOM 0 H HIS A 91 -14.499 -7.942 -12.561 1.00 0.00 H new ATOM 0 HA HIS A 91 -16.208 -5.974 -13.983 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -16.703 -7.931 -15.435 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -14.976 -7.675 -15.287 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.672 -10.310 -14.197 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -13.903 -11.766 -12.978 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.382 -12.377 -13.199 1.00 0.00 H new ATOM 1502 N ALA A 92 -17.667 -6.717 -11.723 1.00 0.00 N ATOM 1503 CA ALA A 92 -18.908 -7.023 -10.954 1.00 0.00 C ATOM 1504 C ALA A 92 -19.589 -5.716 -10.542 1.00 0.00 C ATOM 1505 O ALA A 92 -18.968 -4.947 -9.828 1.00 0.00 O ATOM 1506 CB ALA A 92 -18.547 -7.830 -9.705 1.00 0.00 C ATOM 1507 OXT ALA A 92 -20.719 -5.508 -10.950 1.00 0.00 O ATOM 0 H ALA A 92 -17.067 -6.003 -11.309 1.00 0.00 H new ATOM 0 HA ALA A 92 -19.588 -7.604 -11.577 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -19.453 -8.054 -9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -18.064 -8.761 -10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.867 -7.250 -9.081 1.00 0.00 H new TER 1513 ALA A 92