USER MOD reduce.3.24.130724 H: found=0, std=0, add=1283, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1280 hydrogens (30 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 NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD Set 1.1: A 113 HIS : no HD1:sc= -1.05 K(o=-0.21,f=-1) USER MOD Set 1.2: A 117 SER OG : rot 73:sc= 0.839 USER MOD Set 2.1: A 91 GLN :FLIP amide:sc= -0.0944 F(o=0.33,f=1.2) USER MOD Set 2.2: A 95 THR OG1 : rot -155:sc= 1.25 USER MOD Set 3.1: A 36 HIS : no HE2:sc= -3.26 K(o=-2.7,f=-3.8!) USER MOD Set 3.2: A 39 THR OG1 : rot -73:sc= 0.565 USER MOD Set 4.1: A 24 HIS : no HE2:sc= -3.6! C(o=-3.2!,f=-12!) USER MOD Set 4.2: A 119 HIS : no HD1:sc= 0.445 K(o=-3.2,f=-11!) USER MOD Single : A 1 VAL N :NH3+ -123:sc= -0.316 (180deg=-0.69) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0.0163 (180deg=-0.12) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0.686 (180deg=0.676) USER MOD Single : A 35 SER OG : rot 74:sc= 1.25 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.05) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc=-0.00999 (180deg=-0.193) USER MOD Single : A 48 HIS : no HE2:sc= -3.36! C(o=-3.4!,f=-5.2!) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0296) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00143 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0674) USER MOD Single : A 58 SER OG : rot 73:sc= 1.11 USER MOD Single : A 62 LYS NZ :NH3+ 151:sc= 0.0417 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0156) USER MOD Single : A 64 HIS : no HD1:sc= -0.616 K(o=-0.62,f=-4.6!) USER MOD Single : A 67 THR OG1 : rot 84:sc= 1.01 USER MOD Single : A 70 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0.573 (180deg=0.55) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0362) USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= 0.886 (180deg=0.643) USER MOD Single : A 81 HIS : no HE2:sc= 0.208 K(o=0.21,f=-2.1!) USER MOD Single : A 82 HIS : no HE2:sc= 0.686 K(o=0.69,f=-3.5!) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 0.988 (180deg=0.893) USER MOD Single : A 92 SER OG : rot 174:sc= 1.22 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0.18 K(o=0.18,f=-5!) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0226 (180deg=-0.231) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot -145:sc= 0.256 USER MOD Single : A 108 SER OG : rot -140:sc=-0.00872 USER MOD Single : A 116 HIS : no HE2:sc= 0.062 K(o=0.062,f=-3.2!) USER MOD Single : A 128 GLN : amide:sc= -0.99 X(o=-0.99,f=-1.5) USER MOD Single : A 131 MET CE :methyl 174:sc= -0.0857 (180deg=-0.172) USER MOD Single : A 132 ASN : amide:sc= 1.57 K(o=1.6,f=-3.8!) USER MOD Single : A 133 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.15) USER MOD Single : A 140 LYS NZ :NH3+ -169:sc= 1.03 (180deg=0.829) USER MOD Single : A 145 LYS NZ :NH3+ -177:sc= 0.896 (180deg=0.851) USER MOD Single : A 146 TYR OH : rot -170:sc= 1.26 USER MOD Single : A 147 LYS NZ :NH3+ 174:sc= -0.0123 (180deg=-0.0855) USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.0712 K(o=-0.071,f=-4.6!) USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.124 (180deg=-0.124) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -0.124 (180deg=-0.124) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -1.85 (180deg=-4.07!) USER MOD Single : A 154 HEM CMD :methyl 150:sc= -0.051 (180deg=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 20.421 -2.447 7.784 1.00 0.00 N ATOM 2 CA VAL A 1 20.722 -2.210 6.384 1.00 0.00 C ATOM 3 C VAL A 1 19.766 -3.055 5.538 1.00 0.00 C ATOM 4 O VAL A 1 19.009 -3.857 6.088 1.00 0.00 O ATOM 5 CB VAL A 1 22.204 -2.509 6.091 1.00 0.00 C ATOM 6 CG1 VAL A 1 23.118 -1.634 6.959 1.00 0.00 C ATOM 7 CG2 VAL A 1 22.551 -3.988 6.313 1.00 0.00 C ATOM 0 H1 VAL A 1 20.198 -1.544 8.249 1.00 0.00 H new ATOM 0 H2 VAL A 1 19.605 -3.087 7.860 1.00 0.00 H new ATOM 0 H3 VAL A 1 21.245 -2.880 8.248 1.00 0.00 H new ATOM 0 HA VAL A 1 20.571 -1.161 6.128 1.00 0.00 H new ATOM 0 HB VAL A 1 22.368 -2.277 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 1 24.160 -1.862 6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 1 22.923 -0.583 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 1 22.921 -1.835 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 1 23.606 -4.151 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 1 22.350 -4.257 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 1 21.944 -4.607 5.653 1.00 0.00 H new ATOM 19 N LEU A 2 19.786 -2.873 4.214 1.00 0.00 N ATOM 20 CA LEU A 2 18.916 -3.602 3.310 1.00 0.00 C ATOM 21 C LEU A 2 19.736 -4.094 2.114 1.00 0.00 C ATOM 22 O LEU A 2 19.579 -3.622 0.989 1.00 0.00 O ATOM 23 CB LEU A 2 17.724 -2.719 2.913 1.00 0.00 C ATOM 24 CG LEU A 2 16.654 -3.566 2.207 1.00 0.00 C ATOM 25 CD1 LEU A 2 15.702 -4.232 3.203 1.00 0.00 C ATOM 26 CD2 LEU A 2 15.826 -2.709 1.244 1.00 0.00 C ATOM 0 H LEU A 2 20.409 -2.214 3.747 1.00 0.00 H new ATOM 0 HA LEU A 2 18.498 -4.484 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 2 17.300 -2.247 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 2 18.058 -1.918 2.254 1.00 0.00 H new ATOM 0 HG LEU A 2 17.188 -4.340 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 2 14.962 -4.821 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 2 16.269 -4.884 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 2 15.196 -3.466 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 2 15.076 -3.331 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 2 15.331 -1.912 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 2 16.481 -2.273 0.490 1.00 0.00 H new ATOM 38 N SER A 3 20.663 -5.013 2.380 1.00 0.00 N ATOM 39 CA SER A 3 21.533 -5.588 1.373 1.00 0.00 C ATOM 40 C SER A 3 20.752 -6.499 0.411 1.00 0.00 C ATOM 41 O SER A 3 19.537 -6.686 0.530 1.00 0.00 O ATOM 42 CB SER A 3 22.676 -6.325 2.085 1.00 0.00 C ATOM 43 OG SER A 3 23.158 -5.532 3.154 1.00 0.00 O ATOM 0 H SER A 3 20.828 -5.380 3.317 1.00 0.00 H new ATOM 0 HA SER A 3 21.957 -4.800 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.324 -7.286 2.461 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.482 -6.534 1.381 1.00 0.00 H new ATOM 0 HG SER A 3 23.886 -6.004 3.609 1.00 0.00 H new ATOM 49 N GLU A 4 21.475 -7.032 -0.577 1.00 0.00 N ATOM 50 CA GLU A 4 20.950 -7.894 -1.624 1.00 0.00 C ATOM 51 C GLU A 4 20.077 -9.028 -1.089 1.00 0.00 C ATOM 52 O GLU A 4 19.019 -9.288 -1.649 1.00 0.00 O ATOM 53 CB GLU A 4 22.093 -8.450 -2.488 1.00 0.00 C ATOM 54 CG GLU A 4 23.112 -7.392 -2.941 1.00 0.00 C ATOM 55 CD GLU A 4 22.445 -6.141 -3.503 1.00 0.00 C ATOM 56 OE1 GLU A 4 21.876 -6.255 -4.609 1.00 0.00 O ATOM 57 OE2 GLU A 4 22.502 -5.105 -2.804 1.00 0.00 O ATOM 0 H GLU A 4 22.477 -6.866 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 4 20.302 -7.272 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 4 22.615 -9.224 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 4 21.667 -8.929 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 4 23.743 -7.115 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 4 23.766 -7.823 -3.699 1.00 0.00 H new ATOM 64 N GLY A 5 20.505 -9.708 -0.022 1.00 0.00 N ATOM 65 CA GLY A 5 19.737 -10.802 0.564 1.00 0.00 C ATOM 66 C GLY A 5 18.331 -10.337 0.941 1.00 0.00 C ATOM 67 O GLY A 5 17.332 -10.959 0.582 1.00 0.00 O ATOM 0 H GLY A 5 21.386 -9.516 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.674 -11.628 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.250 -11.179 1.449 1.00 0.00 H new ATOM 71 N GLU A 6 18.252 -9.214 1.652 1.00 0.00 N ATOM 72 CA GLU A 6 16.997 -8.622 2.070 1.00 0.00 C ATOM 73 C GLU A 6 16.149 -8.288 0.838 1.00 0.00 C ATOM 74 O GLU A 6 14.952 -8.579 0.812 1.00 0.00 O ATOM 75 CB GLU A 6 17.265 -7.395 2.946 1.00 0.00 C ATOM 76 CG GLU A 6 18.081 -7.696 4.217 1.00 0.00 C ATOM 77 CD GLU A 6 19.589 -7.516 4.033 1.00 0.00 C ATOM 78 OE1 GLU A 6 20.185 -8.333 3.298 1.00 0.00 O ATOM 79 OE2 GLU A 6 20.122 -6.547 4.616 1.00 0.00 O ATOM 0 H GLU A 6 19.072 -8.688 1.954 1.00 0.00 H new ATOM 0 HA GLU A 6 16.431 -9.331 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.796 -6.649 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.311 -6.953 3.235 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.741 -7.043 5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.882 -8.720 4.533 1.00 0.00 H new ATOM 86 N TRP A 7 16.759 -7.699 -0.196 1.00 0.00 N ATOM 87 CA TRP A 7 16.023 -7.461 -1.430 1.00 0.00 C ATOM 88 C TRP A 7 15.523 -8.774 -2.032 1.00 0.00 C ATOM 89 O TRP A 7 14.387 -8.833 -2.488 1.00 0.00 O ATOM 90 CB TRP A 7 16.822 -6.633 -2.444 1.00 0.00 C ATOM 91 CG TRP A 7 16.788 -5.149 -2.228 1.00 0.00 C ATOM 92 CD1 TRP A 7 17.862 -4.373 -1.968 1.00 0.00 C ATOM 93 CD2 TRP A 7 15.642 -4.240 -2.283 1.00 0.00 C ATOM 94 NE1 TRP A 7 17.470 -3.057 -1.881 1.00 0.00 N ATOM 95 CE2 TRP A 7 16.112 -2.914 -2.063 1.00 0.00 C ATOM 96 CE3 TRP A 7 14.252 -4.392 -2.497 1.00 0.00 C ATOM 97 CZ2 TRP A 7 15.265 -1.797 -2.074 1.00 0.00 C ATOM 98 CZ3 TRP A 7 13.383 -3.284 -2.463 1.00 0.00 C ATOM 99 CH2 TRP A 7 13.886 -1.987 -2.259 1.00 0.00 C ATOM 0 H TRP A 7 17.731 -7.389 -0.201 1.00 0.00 H new ATOM 0 HA TRP A 7 15.152 -6.860 -1.171 1.00 0.00 H new ATOM 0 HB2 TRP A 7 17.860 -6.963 -2.420 1.00 0.00 H new ATOM 0 HB3 TRP A 7 16.442 -6.847 -3.443 1.00 0.00 H new ATOM 0 HD1 TRP A 7 18.874 -4.731 -1.847 1.00 0.00 H new ATOM 0 HE1 TRP A 7 18.108 -2.281 -1.703 1.00 0.00 H new ATOM 0 HE3 TRP A 7 13.850 -5.376 -2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 15.668 -0.804 -1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 12.321 -3.432 -2.595 1.00 0.00 H new ATOM 0 HH2 TRP A 7 13.215 -1.141 -2.245 1.00 0.00 H new ATOM 110 N GLN A 8 16.342 -9.827 -2.042 1.00 0.00 N ATOM 111 CA GLN A 8 15.944 -11.127 -2.571 1.00 0.00 C ATOM 112 C GLN A 8 14.701 -11.622 -1.824 1.00 0.00 C ATOM 113 O GLN A 8 13.733 -12.050 -2.454 1.00 0.00 O ATOM 114 CB GLN A 8 17.113 -12.119 -2.482 1.00 0.00 C ATOM 115 CG GLN A 8 16.787 -13.442 -3.188 1.00 0.00 C ATOM 116 CD GLN A 8 17.954 -14.419 -3.095 1.00 0.00 C ATOM 117 OE1 GLN A 8 18.557 -14.778 -4.099 1.00 0.00 O ATOM 118 NE2 GLN A 8 18.289 -14.857 -1.885 1.00 0.00 N ATOM 0 H GLN A 8 17.297 -9.800 -1.684 1.00 0.00 H new ATOM 0 HA GLN A 8 15.685 -11.037 -3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 8 18.002 -11.676 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.348 -12.313 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.899 -13.888 -2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.552 -13.250 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.769 -14.541 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.066 -15.509 -1.776 1.00 0.00 H new ATOM 127 N LEU A 9 14.714 -11.549 -0.486 1.00 0.00 N ATOM 128 CA LEU A 9 13.556 -11.930 0.317 1.00 0.00 C ATOM 129 C LEU A 9 12.348 -11.110 -0.141 1.00 0.00 C ATOM 130 O LEU A 9 11.340 -11.683 -0.552 1.00 0.00 O ATOM 131 CB LEU A 9 13.811 -11.740 1.821 1.00 0.00 C ATOM 132 CG LEU A 9 14.904 -12.657 2.398 1.00 0.00 C ATOM 133 CD1 LEU A 9 15.126 -12.301 3.872 1.00 0.00 C ATOM 134 CD2 LEU A 9 14.534 -14.142 2.289 1.00 0.00 C ATOM 0 H LEU A 9 15.515 -11.229 0.058 1.00 0.00 H new ATOM 0 HA LEU A 9 13.360 -12.992 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.091 -10.702 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.881 -11.918 2.361 1.00 0.00 H new ATOM 0 HG LEU A 9 15.813 -12.500 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.899 -12.946 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.440 -11.260 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.197 -12.443 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.336 -14.749 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.612 -14.328 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.391 -14.405 1.241 1.00 0.00 H new ATOM 146 N VAL A 10 12.497 -9.782 -0.200 1.00 0.00 N ATOM 147 CA VAL A 10 11.418 -8.888 -0.608 1.00 0.00 C ATOM 148 C VAL A 10 10.847 -9.306 -1.965 1.00 0.00 C ATOM 149 O VAL A 10 9.652 -9.552 -2.079 1.00 0.00 O ATOM 150 CB VAL A 10 11.911 -7.430 -0.603 1.00 0.00 C ATOM 151 CG1 VAL A 10 10.941 -6.455 -1.282 1.00 0.00 C ATOM 152 CG2 VAL A 10 12.106 -6.984 0.845 1.00 0.00 C ATOM 0 H VAL A 10 13.366 -9.303 0.033 1.00 0.00 H new ATOM 0 HA VAL A 10 10.601 -8.961 0.110 1.00 0.00 H new ATOM 0 HB VAL A 10 12.842 -7.408 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.352 -5.446 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.799 -6.748 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.982 -6.477 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.456 -5.952 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.158 -7.056 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.844 -7.626 1.327 1.00 0.00 H new ATOM 162 N LEU A 11 11.694 -9.418 -2.990 1.00 0.00 N ATOM 163 CA LEU A 11 11.280 -9.816 -4.327 1.00 0.00 C ATOM 164 C LEU A 11 10.574 -11.175 -4.314 1.00 0.00 C ATOM 165 O LEU A 11 9.587 -11.368 -5.023 1.00 0.00 O ATOM 166 CB LEU A 11 12.502 -9.839 -5.257 1.00 0.00 C ATOM 167 CG LEU A 11 13.151 -8.459 -5.465 1.00 0.00 C ATOM 168 CD1 LEU A 11 14.532 -8.634 -6.108 1.00 0.00 C ATOM 169 CD2 LEU A 11 12.302 -7.552 -6.359 1.00 0.00 C ATOM 0 H LEU A 11 12.694 -9.232 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 11 10.561 -9.086 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.246 -10.522 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.202 -10.239 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 11 13.236 -7.988 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.991 -7.657 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.163 -9.237 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.424 -9.133 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.799 -6.589 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.177 -8.018 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.325 -7.401 -5.901 1.00 0.00 H new ATOM 181 N HIS A 12 11.100 -12.133 -3.550 1.00 0.00 N ATOM 182 CA HIS A 12 10.502 -13.453 -3.451 1.00 0.00 C ATOM 183 C HIS A 12 9.094 -13.368 -2.868 1.00 0.00 C ATOM 184 O HIS A 12 8.137 -13.828 -3.488 1.00 0.00 O ATOM 185 CB HIS A 12 11.419 -14.386 -2.649 1.00 0.00 C ATOM 186 CG HIS A 12 10.788 -15.702 -2.263 1.00 0.00 C ATOM 187 ND1 HIS A 12 10.677 -16.194 -0.976 1.00 0.00 N ATOM 188 CD2 HIS A 12 10.194 -16.594 -3.112 1.00 0.00 C ATOM 189 CE1 HIS A 12 10.036 -17.375 -1.044 1.00 0.00 C ATOM 190 NE2 HIS A 12 9.729 -17.634 -2.330 1.00 0.00 N ATOM 0 H HIS A 12 11.944 -12.012 -2.990 1.00 0.00 H new ATOM 0 HA HIS A 12 10.398 -13.878 -4.449 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.316 -14.585 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 12 11.738 -13.871 -1.743 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.105 -16.503 -4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.805 -18.012 -0.203 1.00 0.00 H new ATOM 0 HE2 HIS A 12 9.236 -18.460 -2.670 1.00 0.00 H new ATOM 199 N VAL A 13 8.957 -12.784 -1.679 1.00 0.00 N ATOM 200 CA VAL A 13 7.657 -12.632 -1.042 1.00 0.00 C ATOM 201 C VAL A 13 6.724 -11.839 -1.968 1.00 0.00 C ATOM 202 O VAL A 13 5.608 -12.255 -2.268 1.00 0.00 O ATOM 203 CB VAL A 13 7.834 -11.981 0.341 1.00 0.00 C ATOM 204 CG1 VAL A 13 6.479 -11.723 1.002 1.00 0.00 C ATOM 205 CG2 VAL A 13 8.655 -12.895 1.259 1.00 0.00 C ATOM 0 H VAL A 13 9.736 -12.408 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 13 7.191 -13.604 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 13 8.353 -11.034 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.632 -11.263 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.889 -11.055 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.949 -12.667 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.772 -12.421 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.140 -13.848 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.637 -13.066 0.818 1.00 0.00 H new ATOM 215 N TRP A 14 7.232 -10.761 -2.563 1.00 0.00 N ATOM 216 CA TRP A 14 6.434 -9.891 -3.405 1.00 0.00 C ATOM 217 C TRP A 14 5.974 -10.612 -4.675 1.00 0.00 C ATOM 218 O TRP A 14 4.916 -10.303 -5.229 1.00 0.00 O ATOM 219 CB TRP A 14 7.176 -8.589 -3.714 1.00 0.00 C ATOM 220 CG TRP A 14 6.305 -7.613 -4.431 1.00 0.00 C ATOM 221 CD1 TRP A 14 6.173 -7.544 -5.772 1.00 0.00 C ATOM 222 CD2 TRP A 14 5.292 -6.720 -3.877 1.00 0.00 C ATOM 223 NE1 TRP A 14 5.176 -6.649 -6.095 1.00 0.00 N ATOM 224 CE2 TRP A 14 4.571 -6.142 -4.963 1.00 0.00 C ATOM 225 CE3 TRP A 14 4.865 -6.388 -2.571 1.00 0.00 C ATOM 226 CZ2 TRP A 14 3.494 -5.268 -4.765 1.00 0.00 C ATOM 227 CZ3 TRP A 14 3.803 -5.485 -2.364 1.00 0.00 C ATOM 228 CH2 TRP A 14 3.129 -4.910 -3.457 1.00 0.00 C ATOM 0 H TRP A 14 8.206 -10.472 -2.471 1.00 0.00 H new ATOM 0 HA TRP A 14 5.534 -9.622 -2.853 1.00 0.00 H new ATOM 0 HB2 TRP A 14 7.532 -8.144 -2.785 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.055 -8.806 -4.321 1.00 0.00 H new ATOM 0 HD1 TRP A 14 6.760 -8.105 -6.484 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.918 -6.394 -7.048 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.360 -6.833 -1.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 2.950 -4.873 -5.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.504 -5.232 -1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.335 -4.197 -3.291 1.00 0.00 H new ATOM 239 N ALA A 15 6.764 -11.566 -5.176 1.00 0.00 N ATOM 240 CA ALA A 15 6.298 -12.358 -6.296 1.00 0.00 C ATOM 241 C ALA A 15 5.011 -13.099 -5.922 1.00 0.00 C ATOM 242 O ALA A 15 4.168 -13.336 -6.784 1.00 0.00 O ATOM 243 CB ALA A 15 7.379 -13.326 -6.789 1.00 0.00 C ATOM 0 H ALA A 15 7.696 -11.797 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 15 6.076 -11.682 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.994 -13.904 -7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.255 -12.761 -7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.657 -14.003 -5.981 1.00 0.00 H new ATOM 249 N LYS A 16 4.826 -13.442 -4.642 1.00 0.00 N ATOM 250 CA LYS A 16 3.610 -14.115 -4.213 1.00 0.00 C ATOM 251 C LYS A 16 2.442 -13.137 -4.284 1.00 0.00 C ATOM 252 O LYS A 16 1.367 -13.508 -4.750 1.00 0.00 O ATOM 253 CB LYS A 16 3.765 -14.732 -2.830 1.00 0.00 C ATOM 254 CG LYS A 16 5.017 -15.612 -2.764 1.00 0.00 C ATOM 255 CD LYS A 16 5.020 -16.436 -1.476 1.00 0.00 C ATOM 256 CE LYS A 16 6.307 -17.262 -1.408 1.00 0.00 C ATOM 257 NZ LYS A 16 6.293 -18.166 -0.248 1.00 0.00 N ATOM 0 H LYS A 16 5.500 -13.264 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 16 3.405 -14.946 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.829 -13.943 -2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.884 -15.327 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.049 -16.276 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.910 -14.989 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.950 -15.778 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.151 -17.093 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.420 -17.842 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.168 -16.596 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.251 -18.536 -0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.975 -17.645 0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.643 -18.957 -0.432 1.00 0.00 H new ATOM 271 N VAL A 17 2.693 -11.862 -3.955 1.00 0.00 N ATOM 272 CA VAL A 17 1.698 -10.811 -4.131 1.00 0.00 C ATOM 273 C VAL A 17 1.356 -10.802 -5.619 1.00 0.00 C ATOM 274 O VAL A 17 0.204 -11.000 -5.982 1.00 0.00 O ATOM 275 CB VAL A 17 2.195 -9.446 -3.601 1.00 0.00 C ATOM 276 CG1 VAL A 17 1.765 -8.252 -4.456 1.00 0.00 C ATOM 277 CG2 VAL A 17 1.824 -9.177 -2.153 1.00 0.00 C ATOM 0 H VAL A 17 3.579 -11.540 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 17 0.801 -11.004 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 17 3.279 -9.542 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.153 -7.332 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.159 -8.367 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.677 -8.205 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.207 -8.201 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.739 -9.189 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.259 -9.948 -1.517 1.00 0.00 H new ATOM 287 N GLU A 18 2.355 -10.595 -6.482 1.00 0.00 N ATOM 288 CA GLU A 18 2.154 -10.524 -7.926 1.00 0.00 C ATOM 289 C GLU A 18 1.429 -11.735 -8.510 1.00 0.00 C ATOM 290 O GLU A 18 0.695 -11.578 -9.485 1.00 0.00 O ATOM 291 CB GLU A 18 3.463 -10.224 -8.658 1.00 0.00 C ATOM 292 CG GLU A 18 3.932 -8.823 -8.241 1.00 0.00 C ATOM 293 CD GLU A 18 5.158 -8.340 -9.001 1.00 0.00 C ATOM 294 OE1 GLU A 18 5.819 -9.184 -9.643 1.00 0.00 O ATOM 295 OE2 GLU A 18 5.418 -7.120 -8.908 1.00 0.00 O ATOM 0 H GLU A 18 3.326 -10.472 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 18 1.479 -9.685 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.219 -10.969 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.315 -10.270 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.117 -8.115 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.154 -8.826 -7.174 1.00 0.00 H new ATOM 302 N ALA A 19 1.673 -12.938 -7.986 1.00 0.00 N ATOM 303 CA ALA A 19 0.945 -14.108 -8.450 1.00 0.00 C ATOM 304 C ALA A 19 -0.569 -13.892 -8.358 1.00 0.00 C ATOM 305 O ALA A 19 -1.313 -14.374 -9.209 1.00 0.00 O ATOM 306 CB ALA A 19 1.399 -15.360 -7.696 1.00 0.00 C ATOM 0 H ALA A 19 2.358 -13.121 -7.253 1.00 0.00 H new ATOM 0 HA ALA A 19 1.176 -14.262 -9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.842 -16.224 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.464 -15.519 -7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.214 -15.230 -6.630 1.00 0.00 H new ATOM 312 N ASP A 20 -1.031 -13.108 -7.376 1.00 0.00 N ATOM 313 CA ASP A 20 -2.437 -12.782 -7.225 1.00 0.00 C ATOM 314 C ASP A 20 -2.565 -11.362 -6.667 1.00 0.00 C ATOM 315 O ASP A 20 -3.114 -11.155 -5.579 1.00 0.00 O ATOM 316 CB ASP A 20 -3.115 -13.856 -6.363 1.00 0.00 C ATOM 317 CG ASP A 20 -4.611 -13.600 -6.186 1.00 0.00 C ATOM 318 OD1 ASP A 20 -5.165 -12.783 -6.955 1.00 0.00 O ATOM 319 OD2 ASP A 20 -5.170 -14.217 -5.255 1.00 0.00 O ATOM 0 H ASP A 20 -0.431 -12.686 -6.667 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.955 -12.786 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.968 -14.833 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.636 -13.889 -5.384 1.00 0.00 H new ATOM 324 N VAL A 21 -2.055 -10.387 -7.432 1.00 0.00 N ATOM 325 CA VAL A 21 -2.008 -8.980 -7.043 1.00 0.00 C ATOM 326 C VAL A 21 -3.411 -8.487 -6.698 1.00 0.00 C ATOM 327 O VAL A 21 -3.619 -7.871 -5.659 1.00 0.00 O ATOM 328 CB VAL A 21 -1.299 -8.143 -8.123 1.00 0.00 C ATOM 329 CG1 VAL A 21 -1.990 -8.153 -9.493 1.00 0.00 C ATOM 330 CG2 VAL A 21 -1.071 -6.708 -7.634 1.00 0.00 C ATOM 0 H VAL A 21 -1.657 -10.563 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.410 -8.862 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.337 -8.630 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.422 -7.538 -10.191 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.040 -9.175 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.999 -7.753 -9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.569 -6.134 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.031 -6.245 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.451 -6.723 -6.737 1.00 0.00 H new ATOM 340 N ALA A 22 -4.385 -8.811 -7.547 1.00 0.00 N ATOM 341 CA ALA A 22 -5.782 -8.469 -7.345 1.00 0.00 C ATOM 342 C ALA A 22 -6.322 -9.025 -6.025 1.00 0.00 C ATOM 343 O ALA A 22 -7.023 -8.326 -5.298 1.00 0.00 O ATOM 344 CB ALA A 22 -6.590 -9.020 -8.525 1.00 0.00 C ATOM 0 H ALA A 22 -4.216 -9.329 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.875 -7.384 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.643 -8.773 -8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.228 -8.577 -9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.474 -10.103 -8.571 1.00 0.00 H new ATOM 350 N GLY A 23 -6.019 -10.290 -5.724 1.00 0.00 N ATOM 351 CA GLY A 23 -6.496 -10.949 -4.517 1.00 0.00 C ATOM 352 C GLY A 23 -5.883 -10.284 -3.298 1.00 0.00 C ATOM 353 O GLY A 23 -6.609 -9.805 -2.424 1.00 0.00 O ATOM 0 H GLY A 23 -5.435 -10.882 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.583 -10.894 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.231 -12.006 -4.539 1.00 0.00 H new ATOM 357 N HIS A 24 -4.547 -10.150 -3.312 1.00 0.00 N ATOM 358 CA HIS A 24 -3.819 -9.501 -2.228 1.00 0.00 C ATOM 359 C HIS A 24 -4.445 -8.115 -2.041 1.00 0.00 C ATOM 360 O HIS A 24 -4.919 -7.786 -0.963 1.00 0.00 O ATOM 361 CB HIS A 24 -2.299 -9.426 -2.515 1.00 0.00 C ATOM 362 CG HIS A 24 -1.551 -10.741 -2.386 1.00 0.00 C ATOM 363 ND1 HIS A 24 -1.706 -11.844 -3.203 1.00 0.00 N ATOM 364 CD2 HIS A 24 -0.560 -11.049 -1.478 1.00 0.00 C ATOM 365 CE1 HIS A 24 -0.877 -12.810 -2.748 1.00 0.00 C ATOM 366 NE2 HIS A 24 -0.158 -12.376 -1.698 1.00 0.00 N ATOM 0 H HIS A 24 -3.953 -10.487 -4.070 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.903 -10.080 -1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.155 -9.042 -3.525 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.852 -8.704 -1.832 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -2.333 -11.916 -4.005 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.161 -10.384 -0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.802 -13.800 -3.172 1.00 0.00 H new ATOM 374 N GLY A 25 -4.519 -7.327 -3.115 1.00 0.00 N ATOM 375 CA GLY A 25 -5.069 -5.975 -3.133 1.00 0.00 C ATOM 376 C GLY A 25 -6.471 -5.877 -2.540 1.00 0.00 C ATOM 377 O GLY A 25 -6.715 -5.084 -1.629 1.00 0.00 O ATOM 0 H GLY A 25 -4.184 -7.627 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.403 -5.313 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.093 -5.615 -4.162 1.00 0.00 H new ATOM 381 N GLN A 26 -7.389 -6.732 -3.001 1.00 0.00 N ATOM 382 CA GLN A 26 -8.756 -6.716 -2.506 1.00 0.00 C ATOM 383 C GLN A 26 -8.716 -6.951 -0.995 1.00 0.00 C ATOM 384 O GLN A 26 -9.156 -6.097 -0.224 1.00 0.00 O ATOM 385 CB GLN A 26 -9.607 -7.763 -3.244 1.00 0.00 C ATOM 386 CG GLN A 26 -11.024 -7.832 -2.660 1.00 0.00 C ATOM 387 CD GLN A 26 -11.964 -8.688 -3.500 1.00 0.00 C ATOM 388 OE1 GLN A 26 -13.054 -8.253 -3.856 1.00 0.00 O ATOM 389 NE2 GLN A 26 -11.564 -9.916 -3.819 1.00 0.00 N ATOM 0 H GLN A 26 -7.205 -7.439 -3.713 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.227 -5.752 -2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.659 -7.513 -4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.131 -8.741 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.977 -8.236 -1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.430 -6.823 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.652 -10.252 -3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.169 -10.522 -4.373 1.00 0.00 H new ATOM 398 N ASP A 27 -8.142 -8.094 -0.586 1.00 0.00 N ATOM 399 CA ASP A 27 -8.011 -8.452 0.821 1.00 0.00 C ATOM 400 C ASP A 27 -7.413 -7.295 1.618 1.00 0.00 C ATOM 401 O ASP A 27 -7.991 -6.883 2.615 1.00 0.00 O ATOM 402 CB ASP A 27 -7.193 -9.738 1.001 1.00 0.00 C ATOM 403 CG ASP A 27 -7.207 -10.168 2.465 1.00 0.00 C ATOM 404 OD1 ASP A 27 -6.323 -9.702 3.216 1.00 0.00 O ATOM 405 OD2 ASP A 27 -8.103 -10.962 2.823 1.00 0.00 O ATOM 0 H ASP A 27 -7.759 -8.790 -1.226 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.009 -8.650 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.606 -10.531 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.167 -9.575 0.672 1.00 0.00 H new ATOM 410 N ILE A 28 -6.325 -6.699 1.124 1.00 0.00 N ATOM 411 CA ILE A 28 -5.638 -5.597 1.781 1.00 0.00 C ATOM 412 C ILE A 28 -6.626 -4.464 2.047 1.00 0.00 C ATOM 413 O ILE A 28 -6.781 -4.048 3.190 1.00 0.00 O ATOM 414 CB ILE A 28 -4.396 -5.138 0.975 1.00 0.00 C ATOM 415 CG1 ILE A 28 -3.267 -6.173 1.144 1.00 0.00 C ATOM 416 CG2 ILE A 28 -3.894 -3.759 1.443 1.00 0.00 C ATOM 417 CD1 ILE A 28 -2.176 -6.060 0.080 1.00 0.00 C ATOM 0 H ILE A 28 -5.894 -6.977 0.242 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.254 -5.936 2.743 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.685 -5.057 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.817 -6.051 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.695 -7.175 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.023 -3.470 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.683 -3.020 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.620 -3.810 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.413 -6.818 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.613 -6.211 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.722 -5.070 0.128 1.00 0.00 H new ATOM 429 N LEU A 29 -7.342 -3.987 1.026 1.00 0.00 N ATOM 430 CA LEU A 29 -8.246 -2.885 1.146 1.00 0.00 C ATOM 431 C LEU A 29 -9.411 -3.230 2.072 1.00 0.00 C ATOM 432 O LEU A 29 -9.641 -2.515 3.041 1.00 0.00 O ATOM 433 CB LEU A 29 -8.659 -2.518 -0.275 1.00 0.00 C ATOM 434 CG LEU A 29 -7.626 -1.710 -1.092 1.00 0.00 C ATOM 435 CD1 LEU A 29 -8.360 -0.955 -2.211 1.00 0.00 C ATOM 436 CD2 LEU A 29 -6.830 -0.670 -0.287 1.00 0.00 C ATOM 0 H LEU A 29 -7.295 -4.376 0.084 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.785 -2.017 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.882 -3.437 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.584 -1.944 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.910 -2.445 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.641 -0.381 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.867 -1.669 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.094 -0.279 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.132 -0.155 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.517 0.055 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.276 -1.171 0.507 1.00 0.00 H new ATOM 448 N ILE A 30 -10.120 -4.339 1.845 1.00 0.00 N ATOM 449 CA ILE A 30 -11.214 -4.744 2.704 1.00 0.00 C ATOM 450 C ILE A 30 -10.747 -4.841 4.154 1.00 0.00 C ATOM 451 O ILE A 30 -11.401 -4.354 5.072 1.00 0.00 O ATOM 452 CB ILE A 30 -11.784 -6.056 2.132 1.00 0.00 C ATOM 453 CG1 ILE A 30 -13.203 -5.750 1.664 1.00 0.00 C ATOM 454 CG2 ILE A 30 -11.617 -7.287 3.018 1.00 0.00 C ATOM 455 CD1 ILE A 30 -13.879 -6.908 0.933 1.00 0.00 C ATOM 0 H ILE A 30 -9.946 -4.971 1.064 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.016 -4.006 2.721 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.188 -6.381 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.808 -5.476 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.178 -4.883 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.052 -8.154 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.557 -7.465 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.123 -7.122 3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -14.884 -6.612 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -13.298 -7.169 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.938 -7.771 1.596 1.00 0.00 H new ATOM 467 N ARG A 31 -9.576 -5.440 4.341 1.00 0.00 N ATOM 468 CA ARG A 31 -8.982 -5.612 5.660 1.00 0.00 C ATOM 469 C ARG A 31 -8.680 -4.254 6.297 1.00 0.00 C ATOM 470 O ARG A 31 -8.905 -4.059 7.491 1.00 0.00 O ATOM 471 CB ARG A 31 -7.731 -6.489 5.554 1.00 0.00 C ATOM 472 CG ARG A 31 -7.130 -6.819 6.928 1.00 0.00 C ATOM 473 CD ARG A 31 -5.910 -7.732 6.759 1.00 0.00 C ATOM 474 NE ARG A 31 -6.259 -8.972 6.050 1.00 0.00 N ATOM 475 CZ ARG A 31 -6.836 -10.055 6.588 1.00 0.00 C ATOM 476 NH1 ARG A 31 -7.073 -10.122 7.903 1.00 0.00 N ATOM 477 NH2 ARG A 31 -7.182 -11.066 5.786 1.00 0.00 N ATOM 0 H ARG A 31 -9.012 -5.820 3.581 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.692 -6.119 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.983 -7.416 5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.983 -5.979 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.840 -5.900 7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.877 -7.308 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.132 -7.203 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.498 -7.975 7.738 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.041 -9.011 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.814 -9.343 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.513 -10.952 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.006 -11.005 4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.622 -11.899 6.177 1.00 0.00 H new ATOM 491 N LEU A 32 -8.111 -3.331 5.526 1.00 0.00 N ATOM 492 CA LEU A 32 -7.789 -1.999 5.950 1.00 0.00 C ATOM 493 C LEU A 32 -9.058 -1.294 6.435 1.00 0.00 C ATOM 494 O LEU A 32 -9.117 -0.783 7.559 1.00 0.00 O ATOM 495 CB LEU A 32 -7.149 -1.309 4.735 1.00 0.00 C ATOM 496 CG LEU A 32 -6.442 -0.037 5.141 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.020 -0.358 5.600 1.00 0.00 C ATOM 498 CD2 LEU A 32 -6.419 0.960 3.978 1.00 0.00 C ATOM 0 H LEU A 32 -7.858 -3.511 4.555 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.094 -1.978 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.440 -1.987 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.917 -1.082 3.996 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.985 0.419 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.515 0.563 5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.057 -1.037 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.472 -0.830 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.906 1.870 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.894 0.519 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.441 1.202 3.686 1.00 0.00 H new ATOM 510 N PHE A 33 -10.054 -1.263 5.549 1.00 0.00 N ATOM 511 CA PHE A 33 -11.362 -0.693 5.793 1.00 0.00 C ATOM 512 C PHE A 33 -11.958 -1.254 7.079 1.00 0.00 C ATOM 513 O PHE A 33 -12.395 -0.499 7.943 1.00 0.00 O ATOM 514 CB PHE A 33 -12.303 -0.996 4.612 1.00 0.00 C ATOM 515 CG PHE A 33 -11.904 -0.514 3.225 1.00 0.00 C ATOM 516 CD1 PHE A 33 -10.858 0.411 3.027 1.00 0.00 C ATOM 517 CD2 PHE A 33 -12.716 -0.878 2.132 1.00 0.00 C ATOM 518 CE1 PHE A 33 -10.578 0.888 1.735 1.00 0.00 C ATOM 519 CE2 PHE A 33 -12.480 -0.331 0.857 1.00 0.00 C ATOM 520 CZ PHE A 33 -11.372 0.503 0.642 1.00 0.00 C ATOM 0 H PHE A 33 -9.960 -1.651 4.610 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.251 0.386 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.435 -2.077 4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.277 -0.566 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.272 0.753 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.524 -1.581 2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.744 1.557 1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.153 -0.554 0.042 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.132 0.845 -0.354 1.00 0.00 H new ATOM 530 N LYS A 34 -12.031 -2.582 7.167 1.00 0.00 N ATOM 531 CA LYS A 34 -12.619 -3.269 8.303 1.00 0.00 C ATOM 532 C LYS A 34 -11.841 -2.981 9.588 1.00 0.00 C ATOM 533 O LYS A 34 -12.450 -2.825 10.644 1.00 0.00 O ATOM 534 CB LYS A 34 -12.717 -4.770 7.993 1.00 0.00 C ATOM 535 CG LYS A 34 -13.401 -5.552 9.120 1.00 0.00 C ATOM 536 CD LYS A 34 -14.014 -6.864 8.612 1.00 0.00 C ATOM 537 CE LYS A 34 -12.990 -7.770 7.917 1.00 0.00 C ATOM 538 NZ LYS A 34 -13.622 -9.015 7.448 1.00 0.00 N ATOM 0 H LYS A 34 -11.680 -3.210 6.444 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.628 -2.894 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.272 -4.912 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.717 -5.171 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.676 -5.769 9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.180 -4.936 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.457 -7.401 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.822 -6.637 7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.546 -7.243 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.180 -8.006 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.926 -9.581 6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.965 -9.559 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.422 -8.785 6.825 1.00 0.00 H new ATOM 552 N SER A 35 -10.508 -2.942 9.516 1.00 0.00 N ATOM 553 CA SER A 35 -9.692 -2.688 10.693 1.00 0.00 C ATOM 554 C SER A 35 -9.938 -1.282 11.243 1.00 0.00 C ATOM 555 O SER A 35 -10.297 -1.137 12.409 1.00 0.00 O ATOM 556 CB SER A 35 -8.206 -2.900 10.387 1.00 0.00 C ATOM 557 OG SER A 35 -7.967 -4.246 10.031 1.00 0.00 O ATOM 0 H SER A 35 -9.978 -3.083 8.656 1.00 0.00 H new ATOM 0 HA SER A 35 -9.985 -3.404 11.460 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.897 -2.241 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.607 -2.635 11.258 1.00 0.00 H new ATOM 0 HG SER A 35 -8.310 -4.411 9.128 1.00 0.00 H new ATOM 563 N HIS A 36 -9.703 -0.245 10.430 1.00 0.00 N ATOM 564 CA HIS A 36 -9.816 1.143 10.849 1.00 0.00 C ATOM 565 C HIS A 36 -10.548 1.983 9.779 1.00 0.00 C ATOM 566 O HIS A 36 -9.916 2.596 8.907 1.00 0.00 O ATOM 567 CB HIS A 36 -8.412 1.614 11.243 1.00 0.00 C ATOM 568 CG HIS A 36 -7.344 1.316 10.231 1.00 0.00 C ATOM 569 ND1 HIS A 36 -7.350 1.832 8.963 1.00 0.00 N ATOM 570 CD2 HIS A 36 -6.474 0.257 10.250 1.00 0.00 C ATOM 571 CE1 HIS A 36 -6.440 1.160 8.257 1.00 0.00 C ATOM 572 NE2 HIS A 36 -5.911 0.181 9.003 1.00 0.00 N ATOM 0 H HIS A 36 -9.427 -0.355 9.454 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.448 1.269 11.728 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.440 2.690 11.416 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.138 1.146 12.189 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.941 2.590 8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.271 -0.393 11.088 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.169 1.374 7.234 1.00 0.00 H new ATOM 581 N PRO A 37 -11.894 2.016 9.849 1.00 0.00 N ATOM 582 CA PRO A 37 -12.783 2.718 8.927 1.00 0.00 C ATOM 583 C PRO A 37 -12.406 4.150 8.546 1.00 0.00 C ATOM 584 O PRO A 37 -12.895 4.633 7.529 1.00 0.00 O ATOM 585 CB PRO A 37 -14.168 2.679 9.574 1.00 0.00 C ATOM 586 CG PRO A 37 -14.134 1.358 10.335 1.00 0.00 C ATOM 587 CD PRO A 37 -12.693 1.301 10.837 1.00 0.00 C ATOM 0 HA PRO A 37 -12.723 2.205 7.967 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.330 3.527 10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.965 2.700 8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -14.850 1.345 11.156 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.373 0.512 9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.604 1.764 11.820 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.356 0.269 10.939 1.00 0.00 H new ATOM 595 N GLU A 38 -11.606 4.860 9.347 1.00 0.00 N ATOM 596 CA GLU A 38 -11.166 6.210 9.011 1.00 0.00 C ATOM 597 C GLU A 38 -10.638 6.280 7.573 1.00 0.00 C ATOM 598 O GLU A 38 -10.862 7.261 6.861 1.00 0.00 O ATOM 599 CB GLU A 38 -10.110 6.716 10.007 1.00 0.00 C ATOM 600 CG GLU A 38 -10.459 6.489 11.485 1.00 0.00 C ATOM 601 CD GLU A 38 -9.915 5.159 12.000 1.00 0.00 C ATOM 602 OE1 GLU A 38 -8.746 5.156 12.444 1.00 0.00 O ATOM 603 OE2 GLU A 38 -10.661 4.160 11.896 1.00 0.00 O ATOM 0 H GLU A 38 -11.250 4.516 10.239 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.034 6.865 9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.162 6.223 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.958 7.783 9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.052 7.304 12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.542 6.511 11.610 1.00 0.00 H new ATOM 610 N THR A 39 -9.946 5.230 7.134 1.00 0.00 N ATOM 611 CA THR A 39 -9.436 5.135 5.776 1.00 0.00 C ATOM 612 C THR A 39 -10.584 5.089 4.767 1.00 0.00 C ATOM 613 O THR A 39 -10.622 5.848 3.802 1.00 0.00 O ATOM 614 CB THR A 39 -8.575 3.871 5.650 1.00 0.00 C ATOM 615 OG1 THR A 39 -9.255 2.732 6.164 1.00 0.00 O ATOM 616 CG2 THR A 39 -7.244 4.066 6.370 1.00 0.00 C ATOM 0 H THR A 39 -9.725 4.421 7.715 1.00 0.00 H new ATOM 0 HA THR A 39 -8.832 6.016 5.561 1.00 0.00 H new ATOM 0 HB THR A 39 -8.382 3.697 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.277 2.778 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.642 3.162 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.710 4.907 5.927 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.427 4.269 7.425 1.00 0.00 H new ATOM 624 N LEU A 40 -11.486 4.137 4.979 1.00 0.00 N ATOM 625 CA LEU A 40 -12.645 3.861 4.147 1.00 0.00 C ATOM 626 C LEU A 40 -13.531 5.095 4.028 1.00 0.00 C ATOM 627 O LEU A 40 -14.015 5.408 2.944 1.00 0.00 O ATOM 628 CB LEU A 40 -13.343 2.617 4.725 1.00 0.00 C ATOM 629 CG LEU A 40 -14.604 2.097 4.023 1.00 0.00 C ATOM 630 CD1 LEU A 40 -15.856 2.873 4.432 1.00 0.00 C ATOM 631 CD2 LEU A 40 -14.415 2.053 2.508 1.00 0.00 C ATOM 0 H LEU A 40 -11.423 3.506 5.778 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.364 3.635 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.615 1.806 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.605 2.834 5.761 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.763 1.072 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.722 2.468 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.006 2.781 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.734 3.924 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.325 1.680 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.201 3.056 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.584 1.391 2.264 1.00 0.00 H new ATOM 643 N GLU A 41 -13.728 5.812 5.134 1.00 0.00 N ATOM 644 CA GLU A 41 -14.472 7.057 5.139 1.00 0.00 C ATOM 645 C GLU A 41 -13.755 8.074 4.245 1.00 0.00 C ATOM 646 O GLU A 41 -14.395 8.758 3.452 1.00 0.00 O ATOM 647 CB GLU A 41 -14.598 7.569 6.579 1.00 0.00 C ATOM 648 CG GLU A 41 -15.512 6.665 7.420 1.00 0.00 C ATOM 649 CD GLU A 41 -15.458 7.047 8.895 1.00 0.00 C ATOM 650 OE1 GLU A 41 -16.092 8.068 9.240 1.00 0.00 O ATOM 651 OE2 GLU A 41 -14.782 6.317 9.652 1.00 0.00 O ATOM 0 H GLU A 41 -13.373 5.539 6.050 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.477 6.901 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.610 7.616 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.995 8.584 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -16.537 6.743 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.210 5.625 7.300 1.00 0.00 H new ATOM 658 N LYS A 42 -12.420 8.128 4.319 1.00 0.00 N ATOM 659 CA LYS A 42 -11.652 9.103 3.549 1.00 0.00 C ATOM 660 C LYS A 42 -11.668 8.791 2.041 1.00 0.00 C ATOM 661 O LYS A 42 -11.741 9.700 1.215 1.00 0.00 O ATOM 662 CB LYS A 42 -10.214 9.204 4.095 1.00 0.00 C ATOM 663 CG LYS A 42 -9.771 10.658 4.329 1.00 0.00 C ATOM 664 CD LYS A 42 -9.786 11.507 3.052 1.00 0.00 C ATOM 665 CE LYS A 42 -9.376 12.948 3.358 1.00 0.00 C ATOM 666 NZ LYS A 42 -9.482 13.789 2.153 1.00 0.00 N ATOM 0 H LYS A 42 -11.855 7.510 4.902 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.131 10.075 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.146 8.652 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.529 8.728 3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.426 11.116 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.765 10.661 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.106 11.078 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.783 11.493 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.011 13.352 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.352 12.968 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.265 14.776 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.808 13.454 1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.449 13.732 1.773 1.00 0.00 H new ATOM 680 N PHE A 43 -11.511 7.515 1.674 1.00 0.00 N ATOM 681 CA PHE A 43 -11.508 7.077 0.283 1.00 0.00 C ATOM 682 C PHE A 43 -12.735 7.551 -0.504 1.00 0.00 C ATOM 683 O PHE A 43 -13.842 7.121 -0.210 1.00 0.00 O ATOM 684 CB PHE A 43 -11.518 5.545 0.230 1.00 0.00 C ATOM 685 CG PHE A 43 -10.167 4.898 0.054 1.00 0.00 C ATOM 686 CD1 PHE A 43 -9.540 4.964 -1.198 1.00 0.00 C ATOM 687 CD2 PHE A 43 -9.557 4.190 1.099 1.00 0.00 C ATOM 688 CE1 PHE A 43 -8.377 4.229 -1.445 1.00 0.00 C ATOM 689 CE2 PHE A 43 -8.332 3.537 0.885 1.00 0.00 C ATOM 690 CZ PHE A 43 -7.759 3.518 -0.401 1.00 0.00 C ATOM 0 H PHE A 43 -11.382 6.755 2.342 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.613 7.508 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.966 5.169 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.163 5.230 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.958 5.586 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.029 4.147 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.953 4.207 -2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.829 3.049 1.707 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.852 2.962 -0.584 1.00 0.00 H new ATOM 700 N ASP A 44 -12.548 8.218 -1.648 1.00 0.00 N ATOM 701 CA ASP A 44 -13.690 8.699 -2.418 1.00 0.00 C ATOM 702 C ASP A 44 -14.431 7.570 -3.152 1.00 0.00 C ATOM 703 O ASP A 44 -15.652 7.457 -3.048 1.00 0.00 O ATOM 704 CB ASP A 44 -13.242 9.773 -3.418 1.00 0.00 C ATOM 705 CG ASP A 44 -14.439 10.346 -4.167 1.00 0.00 C ATOM 706 OD1 ASP A 44 -15.143 11.183 -3.563 1.00 0.00 O ATOM 707 OD2 ASP A 44 -14.627 9.941 -5.335 1.00 0.00 O ATOM 0 H ASP A 44 -11.636 8.432 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 44 -14.392 9.131 -1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.720 10.572 -2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.535 9.344 -4.127 1.00 0.00 H new ATOM 712 N ARG A 45 -13.722 6.785 -3.975 1.00 0.00 N ATOM 713 CA ARG A 45 -14.341 5.710 -4.748 1.00 0.00 C ATOM 714 C ARG A 45 -14.873 4.584 -3.865 1.00 0.00 C ATOM 715 O ARG A 45 -15.729 3.809 -4.304 1.00 0.00 O ATOM 716 CB ARG A 45 -13.372 5.137 -5.794 1.00 0.00 C ATOM 717 CG ARG A 45 -13.406 5.851 -7.150 1.00 0.00 C ATOM 718 CD ARG A 45 -13.240 7.369 -7.070 1.00 0.00 C ATOM 719 NE ARG A 45 -13.014 7.925 -8.411 1.00 0.00 N ATOM 720 CZ ARG A 45 -13.079 9.223 -8.739 1.00 0.00 C ATOM 721 NH1 ARG A 45 -13.455 10.137 -7.840 1.00 0.00 N ATOM 722 NH2 ARG A 45 -12.764 9.603 -9.981 1.00 0.00 N ATOM 0 H ARG A 45 -12.717 6.878 -4.120 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.190 6.161 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.358 5.186 -5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.604 4.083 -5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.616 5.444 -7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.353 5.627 -7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.130 7.817 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.401 7.617 -6.419 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.788 7.267 -9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.697 9.850 -6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.500 11.122 -8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.477 8.908 -10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.810 10.588 -10.240 1.00 0.00 H new ATOM 736 N PHE A 46 -14.424 4.483 -2.613 1.00 0.00 N ATOM 737 CA PHE A 46 -14.919 3.468 -1.719 1.00 0.00 C ATOM 738 C PHE A 46 -16.085 3.915 -0.948 1.00 0.00 C ATOM 739 O PHE A 46 -16.033 3.909 0.274 1.00 0.00 O ATOM 740 CB PHE A 46 -13.851 2.729 -0.927 1.00 0.00 C ATOM 741 CG PHE A 46 -12.954 2.023 -1.894 1.00 0.00 C ATOM 742 CD1 PHE A 46 -13.539 1.084 -2.756 1.00 0.00 C ATOM 743 CD2 PHE A 46 -11.764 2.657 -2.260 1.00 0.00 C ATOM 744 CE1 PHE A 46 -12.962 0.845 -4.014 1.00 0.00 C ATOM 745 CE2 PHE A 46 -11.053 2.227 -3.392 1.00 0.00 C ATOM 746 CZ PHE A 46 -11.681 1.354 -4.301 1.00 0.00 C ATOM 0 H PHE A 46 -13.718 5.098 -2.207 1.00 0.00 H new ATOM 0 HA PHE A 46 -15.300 2.675 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.278 3.428 -0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -14.311 2.014 -0.244 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.427 0.548 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.390 3.481 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.498 0.274 -4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -10.040 2.561 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 46 -11.181 1.075 -5.217 1.00 0.00 H new ATOM 756 N LYS A 47 -17.086 4.298 -1.756 1.00 0.00 N ATOM 757 CA LYS A 47 -18.446 4.591 -1.366 1.00 0.00 C ATOM 758 C LYS A 47 -18.627 3.713 -0.130 1.00 0.00 C ATOM 759 O LYS A 47 -18.532 2.492 -0.237 1.00 0.00 O ATOM 760 CB LYS A 47 -19.401 4.207 -2.504 1.00 0.00 C ATOM 761 CG LYS A 47 -19.137 5.031 -3.771 1.00 0.00 C ATOM 762 CD LYS A 47 -20.088 4.600 -4.895 1.00 0.00 C ATOM 763 CE LYS A 47 -19.735 5.298 -6.215 1.00 0.00 C ATOM 764 NZ LYS A 47 -18.432 4.851 -6.747 1.00 0.00 N ATOM 0 H LYS A 47 -16.943 4.414 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.651 5.642 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.289 3.147 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.431 4.357 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.272 6.091 -3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.103 4.899 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.035 3.519 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.115 4.837 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.514 5.098 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.712 6.377 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.331 5.171 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.665 5.254 -6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.381 3.813 -6.713 1.00 0.00 H new ATOM 778 N HIS A 48 -18.721 4.380 1.016 1.00 0.00 N ATOM 779 CA HIS A 48 -18.678 3.938 2.412 1.00 0.00 C ATOM 780 C HIS A 48 -19.934 3.150 2.671 1.00 0.00 C ATOM 781 O HIS A 48 -20.794 3.528 3.467 1.00 0.00 O ATOM 782 CB HIS A 48 -18.487 5.128 3.400 1.00 0.00 C ATOM 783 CG HIS A 48 -17.792 6.310 2.766 1.00 0.00 C ATOM 784 ND1 HIS A 48 -16.558 6.132 2.164 1.00 0.00 N ATOM 785 CD2 HIS A 48 -18.550 7.083 1.924 1.00 0.00 C ATOM 786 CE1 HIS A 48 -16.612 6.629 0.926 1.00 0.00 C ATOM 787 NE2 HIS A 48 -17.784 7.276 0.781 1.00 0.00 N ATOM 0 H HIS A 48 -18.848 5.392 0.983 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.809 3.303 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -19.461 5.443 3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -17.909 4.791 4.260 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -15.743 5.694 2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -19.543 7.465 2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.847 6.529 0.170 1.00 0.00 H new ATOM 796 N LEU A 49 -20.073 2.100 1.874 1.00 0.00 N ATOM 797 CA LEU A 49 -21.284 1.338 1.870 1.00 0.00 C ATOM 798 C LEU A 49 -21.361 0.499 3.154 1.00 0.00 C ATOM 799 O LEU A 49 -20.415 0.466 3.941 1.00 0.00 O ATOM 800 CB LEU A 49 -21.359 0.526 0.570 1.00 0.00 C ATOM 801 CG LEU A 49 -21.446 1.441 -0.673 1.00 0.00 C ATOM 802 CD1 LEU A 49 -20.843 0.743 -1.897 1.00 0.00 C ATOM 803 CD2 LEU A 49 -22.909 1.792 -0.960 1.00 0.00 C ATOM 0 H LEU A 49 -19.356 1.768 1.229 1.00 0.00 H new ATOM 0 HA LEU A 49 -22.166 1.979 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.480 -0.114 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -22.229 -0.130 0.600 1.00 0.00 H new ATOM 0 HG LEU A 49 -20.883 2.352 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -20.913 1.402 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -19.796 0.508 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -21.390 -0.178 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -22.963 2.437 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -23.473 0.878 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -23.334 2.311 -0.101 1.00 0.00 H new ATOM 815 N LYS A 50 -22.500 -0.148 3.396 1.00 0.00 N ATOM 816 CA LYS A 50 -22.733 -0.855 4.648 1.00 0.00 C ATOM 817 C LYS A 50 -21.908 -2.133 4.841 1.00 0.00 C ATOM 818 O LYS A 50 -21.115 -2.205 5.778 1.00 0.00 O ATOM 819 CB LYS A 50 -24.237 -1.084 4.853 1.00 0.00 C ATOM 820 CG LYS A 50 -25.097 0.177 4.653 1.00 0.00 C ATOM 821 CD LYS A 50 -24.638 1.349 5.535 1.00 0.00 C ATOM 822 CE LYS A 50 -25.595 2.541 5.445 1.00 0.00 C ATOM 823 NZ LYS A 50 -25.630 3.116 4.088 1.00 0.00 N ATOM 0 H LYS A 50 -23.277 -0.195 2.737 1.00 0.00 H new ATOM 0 HA LYS A 50 -22.362 -0.201 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -24.574 -1.855 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -24.401 -1.467 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -25.057 0.477 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -26.137 -0.057 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -24.567 1.018 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -23.639 1.662 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -26.598 2.224 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -25.288 3.308 6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -26.250 3.951 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -24.669 3.395 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -25.996 2.408 3.420 1.00 0.00 H new ATOM 837 N THR A 51 -22.090 -3.147 3.990 1.00 0.00 N ATOM 838 CA THR A 51 -21.423 -4.440 4.150 1.00 0.00 C ATOM 839 C THR A 51 -20.357 -4.699 3.086 1.00 0.00 C ATOM 840 O THR A 51 -20.471 -4.271 1.936 1.00 0.00 O ATOM 841 CB THR A 51 -22.464 -5.574 4.228 1.00 0.00 C ATOM 842 OG1 THR A 51 -21.807 -6.826 4.296 1.00 0.00 O ATOM 843 CG2 THR A 51 -23.428 -5.602 3.041 1.00 0.00 C ATOM 0 H THR A 51 -22.701 -3.094 3.175 1.00 0.00 H new ATOM 0 HA THR A 51 -20.880 -4.413 5.095 1.00 0.00 H new ATOM 0 HB THR A 51 -23.051 -5.381 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.473 -7.543 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 51 -24.132 -6.425 3.163 1.00 0.00 H new ATOM 0 HG22 THR A 51 -23.975 -4.661 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 51 -22.865 -5.740 2.118 1.00 0.00 H new ATOM 851 N GLU A 52 -19.338 -5.478 3.470 1.00 0.00 N ATOM 852 CA GLU A 52 -18.245 -5.900 2.610 1.00 0.00 C ATOM 853 C GLU A 52 -18.760 -6.516 1.310 1.00 0.00 C ATOM 854 O GLU A 52 -18.115 -6.377 0.279 1.00 0.00 O ATOM 855 CB GLU A 52 -17.311 -6.862 3.353 1.00 0.00 C ATOM 856 CG GLU A 52 -16.664 -6.180 4.567 1.00 0.00 C ATOM 857 CD GLU A 52 -15.532 -7.023 5.146 1.00 0.00 C ATOM 858 OE1 GLU A 52 -15.845 -8.102 5.694 1.00 0.00 O ATOM 859 OE2 GLU A 52 -14.370 -6.577 5.033 1.00 0.00 O ATOM 0 H GLU A 52 -19.257 -5.839 4.420 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.671 -5.014 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.872 -7.737 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -16.535 -7.216 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -16.278 -5.203 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.419 -6.008 5.334 1.00 0.00 H new ATOM 866 N ALA A 53 -19.935 -7.151 1.321 1.00 0.00 N ATOM 867 CA ALA A 53 -20.508 -7.707 0.101 1.00 0.00 C ATOM 868 C ALA A 53 -20.645 -6.612 -0.968 1.00 0.00 C ATOM 869 O ALA A 53 -20.313 -6.826 -2.135 1.00 0.00 O ATOM 870 CB ALA A 53 -21.862 -8.350 0.410 1.00 0.00 C ATOM 0 H ALA A 53 -20.502 -7.290 2.157 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.844 -8.477 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -22.286 -8.764 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -21.728 -9.148 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -22.538 -7.597 0.815 1.00 0.00 H new ATOM 876 N GLU A 54 -21.091 -5.415 -0.562 1.00 0.00 N ATOM 877 CA GLU A 54 -21.232 -4.281 -1.461 1.00 0.00 C ATOM 878 C GLU A 54 -19.841 -3.863 -1.920 1.00 0.00 C ATOM 879 O GLU A 54 -19.616 -3.623 -3.102 1.00 0.00 O ATOM 880 CB GLU A 54 -21.943 -3.108 -0.770 1.00 0.00 C ATOM 881 CG GLU A 54 -23.366 -3.472 -0.328 1.00 0.00 C ATOM 882 CD GLU A 54 -23.952 -2.380 0.558 1.00 0.00 C ATOM 883 OE1 GLU A 54 -23.658 -2.419 1.772 1.00 0.00 O ATOM 884 OE2 GLU A 54 -24.659 -1.509 0.009 1.00 0.00 O ATOM 0 H GLU A 54 -21.362 -5.215 0.401 1.00 0.00 H new ATOM 0 HA GLU A 54 -21.843 -4.569 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -21.364 -2.795 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -21.982 -2.257 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.999 -3.615 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -23.353 -4.418 0.213 1.00 0.00 H new ATOM 891 N MET A 55 -18.880 -3.853 -0.993 1.00 0.00 N ATOM 892 CA MET A 55 -17.519 -3.436 -1.300 1.00 0.00 C ATOM 893 C MET A 55 -16.950 -4.360 -2.391 1.00 0.00 C ATOM 894 O MET A 55 -16.555 -3.897 -3.455 1.00 0.00 O ATOM 895 CB MET A 55 -16.657 -3.365 -0.026 1.00 0.00 C ATOM 896 CG MET A 55 -17.296 -2.428 1.015 1.00 0.00 C ATOM 897 SD MET A 55 -16.441 -2.311 2.606 1.00 0.00 S ATOM 898 CE MET A 55 -17.659 -1.328 3.514 1.00 0.00 C ATOM 0 H MET A 55 -19.025 -4.131 -0.022 1.00 0.00 H new ATOM 0 HA MET A 55 -17.513 -2.421 -1.697 1.00 0.00 H new ATOM 0 HB2 MET A 55 -16.543 -4.363 0.398 1.00 0.00 H new ATOM 0 HB3 MET A 55 -15.658 -3.009 -0.277 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.360 -1.429 0.585 1.00 0.00 H new ATOM 0 HG3 MET A 55 -18.317 -2.762 1.197 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.302 -1.153 4.529 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.804 -0.372 3.010 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.606 -1.866 3.551 1.00 0.00 H new ATOM 908 N LYS A 56 -17.059 -5.681 -2.204 1.00 0.00 N ATOM 909 CA LYS A 56 -16.618 -6.669 -3.185 1.00 0.00 C ATOM 910 C LYS A 56 -17.344 -6.452 -4.514 1.00 0.00 C ATOM 911 O LYS A 56 -16.735 -6.530 -5.583 1.00 0.00 O ATOM 912 CB LYS A 56 -16.895 -8.090 -2.678 1.00 0.00 C ATOM 913 CG LYS A 56 -16.014 -8.463 -1.482 1.00 0.00 C ATOM 914 CD LYS A 56 -16.257 -9.925 -1.088 1.00 0.00 C ATOM 915 CE LYS A 56 -15.417 -10.342 0.125 1.00 0.00 C ATOM 916 NZ LYS A 56 -13.972 -10.293 -0.161 1.00 0.00 N ATOM 0 H LYS A 56 -17.459 -6.093 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.545 -6.548 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -17.944 -8.174 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.726 -8.801 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.964 -8.315 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.235 -7.809 -0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.314 -10.069 -0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.020 -10.572 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.643 -9.685 0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.693 -11.352 0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.539 -11.207 0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.825 -10.096 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.531 -9.541 0.406 1.00 0.00 H new ATOM 930 N ALA A 57 -18.664 -6.237 -4.459 1.00 0.00 N ATOM 931 CA ALA A 57 -19.413 -5.943 -5.667 1.00 0.00 C ATOM 932 C ALA A 57 -18.896 -4.670 -6.337 1.00 0.00 C ATOM 933 O ALA A 57 -18.867 -4.589 -7.565 1.00 0.00 O ATOM 934 CB ALA A 57 -20.911 -5.882 -5.375 1.00 0.00 C ATOM 0 H ALA A 57 -19.219 -6.262 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 57 -19.260 -6.756 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -21.452 -5.660 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -21.244 -6.842 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -21.107 -5.100 -4.641 1.00 0.00 H new ATOM 940 N SER A 58 -18.435 -3.696 -5.553 1.00 0.00 N ATOM 941 CA SER A 58 -17.825 -2.481 -6.056 1.00 0.00 C ATOM 942 C SER A 58 -16.369 -2.797 -6.422 1.00 0.00 C ATOM 943 O SER A 58 -15.446 -2.216 -5.864 1.00 0.00 O ATOM 944 CB SER A 58 -17.948 -1.361 -5.011 1.00 0.00 C ATOM 945 OG SER A 58 -19.285 -1.272 -4.551 1.00 0.00 O ATOM 0 H SER A 58 -18.479 -3.737 -4.535 1.00 0.00 H new ATOM 0 HA SER A 58 -18.334 -2.123 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.279 -1.559 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.641 -0.410 -5.447 1.00 0.00 H new ATOM 0 HG SER A 58 -19.483 -2.036 -3.970 1.00 0.00 H new ATOM 951 N GLU A 59 -16.194 -3.724 -7.371 1.00 0.00 N ATOM 952 CA GLU A 59 -15.003 -4.316 -7.984 1.00 0.00 C ATOM 953 C GLU A 59 -13.846 -3.347 -8.219 1.00 0.00 C ATOM 954 O GLU A 59 -12.688 -3.748 -8.322 1.00 0.00 O ATOM 955 CB GLU A 59 -15.424 -4.969 -9.307 1.00 0.00 C ATOM 956 CG GLU A 59 -14.383 -5.991 -9.788 1.00 0.00 C ATOM 957 CD GLU A 59 -14.792 -6.727 -11.061 1.00 0.00 C ATOM 958 OE1 GLU A 59 -15.551 -6.127 -11.852 1.00 0.00 O ATOM 959 OE2 GLU A 59 -14.316 -7.873 -11.228 1.00 0.00 O ATOM 0 H GLU A 59 -17.024 -4.141 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.611 -5.044 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.388 -5.462 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.558 -4.199 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.437 -5.479 -9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.209 -6.720 -8.997 1.00 0.00 H new ATOM 966 N ASP A 60 -14.153 -2.055 -8.265 1.00 0.00 N ATOM 967 CA ASP A 60 -13.169 -0.994 -8.300 1.00 0.00 C ATOM 968 C ASP A 60 -12.247 -1.166 -7.089 1.00 0.00 C ATOM 969 O ASP A 60 -11.104 -0.740 -7.129 1.00 0.00 O ATOM 970 CB ASP A 60 -13.838 0.384 -8.291 1.00 0.00 C ATOM 971 CG ASP A 60 -12.784 1.482 -8.427 1.00 0.00 C ATOM 972 OD1 ASP A 60 -12.232 1.598 -9.543 1.00 0.00 O ATOM 973 OD2 ASP A 60 -12.546 2.176 -7.416 1.00 0.00 O ATOM 0 H ASP A 60 -15.115 -1.715 -8.279 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.591 -1.055 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.555 0.454 -9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.397 0.519 -7.365 1.00 0.00 H new ATOM 978 N LEU A 61 -12.737 -1.820 -6.030 1.00 0.00 N ATOM 979 CA LEU A 61 -11.980 -2.196 -4.842 1.00 0.00 C ATOM 980 C LEU A 61 -10.783 -3.024 -5.310 1.00 0.00 C ATOM 981 O LEU A 61 -9.618 -2.694 -5.082 1.00 0.00 O ATOM 982 CB LEU A 61 -12.926 -3.031 -3.960 1.00 0.00 C ATOM 983 CG LEU A 61 -12.254 -3.700 -2.755 1.00 0.00 C ATOM 984 CD1 LEU A 61 -11.937 -2.668 -1.673 1.00 0.00 C ATOM 985 CD2 LEU A 61 -13.233 -4.720 -2.177 1.00 0.00 C ATOM 0 H LEU A 61 -13.713 -2.112 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.616 -1.340 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.728 -2.387 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.388 -3.803 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.325 -4.173 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.461 -3.163 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.264 -1.912 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.860 -2.192 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.780 -5.212 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.146 -4.212 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.473 -5.465 -2.936 1.00 0.00 H new ATOM 997 N LYS A 62 -11.083 -4.031 -6.130 1.00 0.00 N ATOM 998 CA LYS A 62 -10.067 -4.941 -6.631 1.00 0.00 C ATOM 999 C LYS A 62 -9.159 -4.194 -7.608 1.00 0.00 C ATOM 1000 O LYS A 62 -7.933 -4.222 -7.493 1.00 0.00 O ATOM 1001 CB LYS A 62 -10.767 -6.156 -7.258 1.00 0.00 C ATOM 1002 CG LYS A 62 -9.803 -7.298 -7.587 1.00 0.00 C ATOM 1003 CD LYS A 62 -10.568 -8.567 -8.002 1.00 0.00 C ATOM 1004 CE LYS A 62 -11.335 -8.378 -9.318 1.00 0.00 C ATOM 1005 NZ LYS A 62 -12.015 -9.615 -9.739 1.00 0.00 N ATOM 0 H LYS A 62 -12.027 -4.233 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.427 -5.310 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.533 -6.520 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.277 -5.844 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.135 -6.993 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.179 -7.513 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.866 -9.394 -8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.267 -8.842 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.070 -7.582 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.644 -8.060 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.865 -9.374 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.372 -10.182 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.289 -10.163 -8.899 1.00 0.00 H new ATOM 1019 N LYS A 63 -9.778 -3.492 -8.560 1.00 0.00 N ATOM 1020 CA LYS A 63 -9.075 -2.709 -9.569 1.00 0.00 C ATOM 1021 C LYS A 63 -8.081 -1.730 -8.927 1.00 0.00 C ATOM 1022 O LYS A 63 -6.975 -1.507 -9.439 1.00 0.00 O ATOM 1023 CB LYS A 63 -10.119 -1.959 -10.402 1.00 0.00 C ATOM 1024 CG LYS A 63 -9.555 -1.412 -11.720 1.00 0.00 C ATOM 1025 CD LYS A 63 -10.566 -0.502 -12.435 1.00 0.00 C ATOM 1026 CE LYS A 63 -11.909 -1.172 -12.754 1.00 0.00 C ATOM 1027 NZ LYS A 63 -11.738 -2.421 -13.516 1.00 0.00 N ATOM 0 H LYS A 63 -10.793 -3.453 -8.650 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.493 -3.374 -10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.951 -2.628 -10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.520 -1.133 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.640 -0.854 -11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.286 -2.242 -12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.750 0.374 -11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.122 -0.146 -13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.437 -1.384 -11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.531 -0.482 -13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.671 -2.804 -13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.197 -2.227 -14.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.224 -3.114 -12.935 1.00 0.00 H new ATOM 1041 N HIS A 64 -8.504 -1.065 -7.848 1.00 0.00 N ATOM 1042 CA HIS A 64 -7.614 -0.163 -7.172 1.00 0.00 C ATOM 1043 C HIS A 64 -6.517 -0.937 -6.496 1.00 0.00 C ATOM 1044 O HIS A 64 -5.368 -0.572 -6.684 1.00 0.00 O ATOM 1045 CB HIS A 64 -8.294 0.776 -6.175 1.00 0.00 C ATOM 1046 CG HIS A 64 -7.691 2.147 -6.198 1.00 0.00 C ATOM 1047 ND1 HIS A 64 -7.058 2.735 -7.269 1.00 0.00 N ATOM 1048 CD2 HIS A 64 -7.509 2.953 -5.111 1.00 0.00 C ATOM 1049 CE1 HIS A 64 -6.496 3.866 -6.831 1.00 0.00 C ATOM 1050 NE2 HIS A 64 -6.744 4.043 -5.524 1.00 0.00 N ATOM 0 H HIS A 64 -9.437 -1.141 -7.444 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.204 0.486 -7.946 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.357 0.843 -6.406 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -8.212 0.360 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.888 2.778 -4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.921 4.544 -7.445 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.433 4.823 -4.945 1.00 0.00 H new ATOM 1058 N GLY A 65 -6.846 -2.004 -5.764 1.00 0.00 N ATOM 1059 CA GLY A 65 -5.835 -2.831 -5.122 1.00 0.00 C ATOM 1060 C GLY A 65 -4.725 -3.173 -6.130 1.00 0.00 C ATOM 1061 O GLY A 65 -3.539 -3.017 -5.843 1.00 0.00 O ATOM 0 H GLY A 65 -7.805 -2.311 -5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.412 -2.305 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.288 -3.746 -4.742 1.00 0.00 H new ATOM 1065 N VAL A 66 -5.115 -3.541 -7.358 1.00 0.00 N ATOM 1066 CA VAL A 66 -4.173 -3.850 -8.430 1.00 0.00 C ATOM 1067 C VAL A 66 -3.312 -2.609 -8.694 1.00 0.00 C ATOM 1068 O VAL A 66 -2.093 -2.671 -8.583 1.00 0.00 O ATOM 1069 CB VAL A 66 -4.892 -4.319 -9.712 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.897 -4.506 -10.868 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.609 -5.653 -9.502 1.00 0.00 C ATOM 0 H VAL A 66 -6.094 -3.631 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.537 -4.679 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.617 -3.542 -9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.432 -4.837 -11.758 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.398 -3.559 -11.075 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.155 -5.255 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.103 -5.950 -10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.884 -6.415 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.352 -5.546 -8.712 1.00 0.00 H new ATOM 1081 N THR A 67 -3.947 -1.471 -8.987 1.00 0.00 N ATOM 1082 CA THR A 67 -3.276 -0.197 -9.257 1.00 0.00 C ATOM 1083 C THR A 67 -2.254 0.156 -8.164 1.00 0.00 C ATOM 1084 O THR A 67 -1.102 0.506 -8.428 1.00 0.00 O ATOM 1085 CB THR A 67 -4.355 0.890 -9.413 1.00 0.00 C ATOM 1086 OG1 THR A 67 -5.298 0.515 -10.403 1.00 0.00 O ATOM 1087 CG2 THR A 67 -3.787 2.261 -9.790 1.00 0.00 C ATOM 0 H THR A 67 -4.963 -1.409 -9.044 1.00 0.00 H new ATOM 0 HA THR A 67 -2.701 -0.274 -10.180 1.00 0.00 H new ATOM 0 HB THR A 67 -4.827 0.977 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.973 -0.074 -10.005 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.602 2.979 -9.884 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.097 2.594 -9.015 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.258 2.187 -10.740 1.00 0.00 H new ATOM 1095 N VAL A 68 -2.706 0.028 -6.925 1.00 0.00 N ATOM 1096 CA VAL A 68 -1.999 0.346 -5.699 1.00 0.00 C ATOM 1097 C VAL A 68 -0.771 -0.552 -5.579 1.00 0.00 C ATOM 1098 O VAL A 68 0.360 -0.069 -5.690 1.00 0.00 O ATOM 1099 CB VAL A 68 -3.064 0.277 -4.586 1.00 0.00 C ATOM 1100 CG1 VAL A 68 -2.643 0.143 -3.130 1.00 0.00 C ATOM 1101 CG2 VAL A 68 -3.891 1.560 -4.681 1.00 0.00 C ATOM 0 H VAL A 68 -3.644 -0.327 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.562 1.343 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.570 -0.666 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.529 0.111 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.070 -0.775 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.027 0.998 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.660 1.555 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.241 2.423 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.362 1.617 -5.662 1.00 0.00 H new ATOM 1111 N LEU A 69 -0.963 -1.860 -5.399 1.00 0.00 N ATOM 1112 CA LEU A 69 0.139 -2.792 -5.341 1.00 0.00 C ATOM 1113 C LEU A 69 1.048 -2.683 -6.561 1.00 0.00 C ATOM 1114 O LEU A 69 2.253 -2.757 -6.392 1.00 0.00 O ATOM 1115 CB LEU A 69 -0.370 -4.219 -5.096 1.00 0.00 C ATOM 1116 CG LEU A 69 -0.786 -4.357 -3.624 1.00 0.00 C ATOM 1117 CD1 LEU A 69 -2.258 -4.053 -3.368 1.00 0.00 C ATOM 1118 CD2 LEU A 69 -0.487 -5.770 -3.128 1.00 0.00 C ATOM 0 H LEU A 69 -1.882 -2.289 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 69 0.764 -2.525 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.217 -4.434 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.409 -4.943 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.203 -3.614 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.475 -4.172 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.476 -3.029 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.877 -4.741 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.785 -5.860 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.043 -6.491 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.581 -5.969 -3.219 1.00 0.00 H new ATOM 1130 N THR A 70 0.541 -2.483 -7.777 1.00 0.00 N ATOM 1131 CA THR A 70 1.428 -2.350 -8.932 1.00 0.00 C ATOM 1132 C THR A 70 2.376 -1.151 -8.759 1.00 0.00 C ATOM 1133 O THR A 70 3.561 -1.245 -9.089 1.00 0.00 O ATOM 1134 CB THR A 70 0.635 -2.307 -10.250 1.00 0.00 C ATOM 1135 OG1 THR A 70 -0.174 -3.462 -10.336 1.00 0.00 O ATOM 1136 CG2 THR A 70 1.570 -2.316 -11.463 1.00 0.00 C ATOM 0 H THR A 70 -0.455 -2.411 -7.986 1.00 0.00 H new ATOM 0 HA THR A 70 2.056 -3.239 -8.989 1.00 0.00 H new ATOM 0 HB THR A 70 0.041 -1.393 -10.254 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.897 -3.404 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.979 -2.285 -12.378 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.225 -1.445 -11.424 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.173 -3.224 -11.451 1.00 0.00 H new ATOM 1144 N ALA A 71 1.871 -0.009 -8.276 1.00 0.00 N ATOM 1145 CA ALA A 71 2.724 1.149 -8.048 1.00 0.00 C ATOM 1146 C ALA A 71 3.777 0.854 -6.977 1.00 0.00 C ATOM 1147 O ALA A 71 4.971 1.073 -7.192 1.00 0.00 O ATOM 1148 CB ALA A 71 1.878 2.378 -7.705 1.00 0.00 C ATOM 0 H ALA A 71 0.889 0.131 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 71 3.264 1.371 -8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.531 3.234 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.200 2.595 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.300 2.181 -6.802 1.00 0.00 H new ATOM 1154 N LEU A 72 3.336 0.375 -5.812 1.00 0.00 N ATOM 1155 CA LEU A 72 4.262 0.001 -4.746 1.00 0.00 C ATOM 1156 C LEU A 72 5.236 -1.090 -5.229 1.00 0.00 C ATOM 1157 O LEU A 72 6.396 -1.163 -4.833 1.00 0.00 O ATOM 1158 CB LEU A 72 3.450 -0.477 -3.531 1.00 0.00 C ATOM 1159 CG LEU A 72 4.298 -0.815 -2.293 1.00 0.00 C ATOM 1160 CD1 LEU A 72 4.974 0.430 -1.706 1.00 0.00 C ATOM 1161 CD2 LEU A 72 3.410 -1.465 -1.223 1.00 0.00 C ATOM 0 H LEU A 72 2.351 0.238 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 72 4.862 0.865 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.730 0.297 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.878 -1.360 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 72 5.081 -1.506 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.563 0.147 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.627 0.877 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.213 1.152 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.012 -1.704 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.616 -0.774 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.970 -2.379 -1.621 1.00 0.00 H new ATOM 1173 N GLY A 73 4.743 -1.967 -6.096 1.00 0.00 N ATOM 1174 CA GLY A 73 5.463 -3.081 -6.671 1.00 0.00 C ATOM 1175 C GLY A 73 6.610 -2.550 -7.505 1.00 0.00 C ATOM 1176 O GLY A 73 7.741 -2.975 -7.320 1.00 0.00 O ATOM 0 H GLY A 73 3.781 -1.911 -6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.841 -3.732 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.796 -3.682 -7.288 1.00 0.00 H new ATOM 1180 N ALA A 74 6.333 -1.604 -8.403 1.00 0.00 N ATOM 1181 CA ALA A 74 7.354 -0.974 -9.232 1.00 0.00 C ATOM 1182 C ALA A 74 8.453 -0.372 -8.351 1.00 0.00 C ATOM 1183 O ALA A 74 9.642 -0.607 -8.570 1.00 0.00 O ATOM 1184 CB ALA A 74 6.704 0.089 -10.120 1.00 0.00 C ATOM 0 H ALA A 74 5.390 -1.254 -8.574 1.00 0.00 H new ATOM 0 HA ALA A 74 7.819 -1.722 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.466 0.561 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.955 -0.379 -10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.227 0.844 -9.495 1.00 0.00 H new ATOM 1190 N ILE A 75 8.045 0.320 -7.282 1.00 0.00 N ATOM 1191 CA ILE A 75 8.971 0.958 -6.352 1.00 0.00 C ATOM 1192 C ILE A 75 9.888 -0.122 -5.760 1.00 0.00 C ATOM 1193 O ILE A 75 11.113 -0.019 -5.822 1.00 0.00 O ATOM 1194 CB ILE A 75 8.179 1.752 -5.285 1.00 0.00 C ATOM 1195 CG1 ILE A 75 7.515 3.005 -5.889 1.00 0.00 C ATOM 1196 CG2 ILE A 75 9.031 2.123 -4.065 1.00 0.00 C ATOM 1197 CD1 ILE A 75 8.467 4.188 -6.104 1.00 0.00 C ATOM 0 H ILE A 75 7.063 0.451 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 75 9.606 1.684 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 75 7.394 1.083 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.066 2.738 -6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.704 3.322 -5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.422 2.678 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.406 1.215 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.872 2.740 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.916 5.025 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.897 4.487 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.265 3.893 -6.785 1.00 0.00 H new ATOM 1209 N LEU A 76 9.279 -1.177 -5.215 1.00 0.00 N ATOM 1210 CA LEU A 76 9.979 -2.307 -4.619 1.00 0.00 C ATOM 1211 C LEU A 76 10.872 -3.048 -5.621 1.00 0.00 C ATOM 1212 O LEU A 76 11.987 -3.436 -5.281 1.00 0.00 O ATOM 1213 CB LEU A 76 8.934 -3.274 -4.056 1.00 0.00 C ATOM 1214 CG LEU A 76 8.203 -2.767 -2.801 1.00 0.00 C ATOM 1215 CD1 LEU A 76 7.019 -3.694 -2.501 1.00 0.00 C ATOM 1216 CD2 LEU A 76 9.127 -2.737 -1.583 1.00 0.00 C ATOM 0 H LEU A 76 8.264 -1.267 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 76 10.633 -1.925 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.196 -3.482 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.423 -4.219 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 76 7.861 -1.751 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.496 -3.340 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.334 -3.695 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.384 -4.706 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.575 -2.373 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.497 -3.742 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.969 -2.074 -1.781 1.00 0.00 H new ATOM 1228 N LYS A 77 10.399 -3.241 -6.855 1.00 0.00 N ATOM 1229 CA LYS A 77 11.136 -3.955 -7.891 1.00 0.00 C ATOM 1230 C LYS A 77 12.463 -3.263 -8.154 1.00 0.00 C ATOM 1231 O LYS A 77 13.498 -3.915 -8.301 1.00 0.00 O ATOM 1232 CB LYS A 77 10.317 -4.064 -9.188 1.00 0.00 C ATOM 1233 CG LYS A 77 9.240 -5.155 -9.144 1.00 0.00 C ATOM 1234 CD LYS A 77 9.856 -6.552 -9.306 1.00 0.00 C ATOM 1235 CE LYS A 77 8.789 -7.648 -9.371 1.00 0.00 C ATOM 1236 NZ LYS A 77 7.985 -7.555 -10.602 1.00 0.00 N ATOM 0 H LYS A 77 9.487 -2.902 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 77 11.327 -4.968 -7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.842 -3.104 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.993 -4.266 -10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.702 -5.100 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.511 -4.982 -9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.458 -6.579 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.528 -6.750 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.268 -8.626 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.135 -7.571 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.210 -8.247 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.590 -6.597 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.587 -7.755 -11.426 1.00 0.00 H new ATOM 1250 N LYS A 78 12.443 -1.932 -8.215 1.00 0.00 N ATOM 1251 CA LYS A 78 13.662 -1.179 -8.365 1.00 0.00 C ATOM 1252 C LYS A 78 14.314 -1.162 -6.989 1.00 0.00 C ATOM 1253 O LYS A 78 14.142 -0.211 -6.230 1.00 0.00 O ATOM 1254 CB LYS A 78 13.350 0.228 -8.847 1.00 0.00 C ATOM 1255 CG LYS A 78 12.674 0.298 -10.221 1.00 0.00 C ATOM 1256 CD LYS A 78 13.431 -0.446 -11.330 1.00 0.00 C ATOM 1257 CE LYS A 78 12.854 -0.116 -12.711 1.00 0.00 C ATOM 1258 NZ LYS A 78 11.437 -0.505 -12.827 1.00 0.00 N ATOM 0 H LYS A 78 11.596 -1.367 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 78 14.329 -1.623 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.705 0.714 -8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.278 0.799 -8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.669 -0.116 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.566 1.344 -10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.486 -0.174 -11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.373 -1.520 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.953 0.953 -12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.434 -0.629 -13.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.120 -0.374 -13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.328 -1.504 -12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.861 0.088 -12.196 1.00 0.00 H new ATOM 1272 N LYS A 79 15.027 -2.248 -6.690 1.00 0.00 N ATOM 1273 CA LYS A 79 15.743 -2.586 -5.464 1.00 0.00 C ATOM 1274 C LYS A 79 16.843 -1.582 -5.059 1.00 0.00 C ATOM 1275 O LYS A 79 17.909 -1.999 -4.619 1.00 0.00 O ATOM 1276 CB LYS A 79 16.311 -4.006 -5.652 1.00 0.00 C ATOM 1277 CG LYS A 79 17.195 -4.159 -6.904 1.00 0.00 C ATOM 1278 CD LYS A 79 17.824 -5.555 -7.000 1.00 0.00 C ATOM 1279 CE LYS A 79 18.919 -5.775 -5.949 1.00 0.00 C ATOM 1280 NZ LYS A 79 19.633 -7.041 -6.188 1.00 0.00 N ATOM 0 H LYS A 79 15.126 -2.993 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 79 15.040 -2.539 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.895 -4.274 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.484 -4.713 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.596 -3.970 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.984 -3.407 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.048 -6.310 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.246 -5.693 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.625 -4.945 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.476 -5.786 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.554 -7.016 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.070 -7.833 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.780 -7.169 -7.210 1.00 0.00 H new ATOM 1294 N GLY A 80 16.595 -0.269 -5.140 1.00 0.00 N ATOM 1295 CA GLY A 80 17.548 0.766 -4.748 1.00 0.00 C ATOM 1296 C GLY A 80 17.476 2.017 -5.622 1.00 0.00 C ATOM 1297 O GLY A 80 17.797 3.110 -5.158 1.00 0.00 O ATOM 0 H GLY A 80 15.712 0.106 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.364 1.045 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.557 0.357 -4.794 1.00 0.00 H new ATOM 1301 N HIS A 81 17.142 1.855 -6.905 1.00 0.00 N ATOM 1302 CA HIS A 81 17.178 2.930 -7.884 1.00 0.00 C ATOM 1303 C HIS A 81 15.785 3.217 -8.435 1.00 0.00 C ATOM 1304 O HIS A 81 15.456 2.847 -9.568 1.00 0.00 O ATOM 1305 CB HIS A 81 18.186 2.546 -8.975 1.00 0.00 C ATOM 1306 CG HIS A 81 18.057 1.109 -9.416 1.00 0.00 C ATOM 1307 ND1 HIS A 81 16.917 0.544 -9.952 1.00 0.00 N ATOM 1308 CD2 HIS A 81 18.948 0.105 -9.155 1.00 0.00 C ATOM 1309 CE1 HIS A 81 17.122 -0.784 -10.047 1.00 0.00 C ATOM 1310 NE2 HIS A 81 18.351 -1.070 -9.570 1.00 0.00 N ATOM 0 H HIS A 81 16.837 0.962 -7.291 1.00 0.00 H new ATOM 0 HA HIS A 81 17.504 3.861 -7.420 1.00 0.00 H new ATOM 0 HB2 HIS A 81 18.047 3.199 -9.837 1.00 0.00 H new ATOM 0 HB3 HIS A 81 19.197 2.718 -8.605 1.00 0.00 H new ATOM 0 HD1 HIS A 81 16.071 1.043 -10.227 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.927 0.210 -8.711 1.00 0.00 H new ATOM 0 HE1 HIS A 81 16.418 -1.502 -10.441 1.00 0.00 H new ATOM 1319 N HIS A 82 14.968 3.918 -7.648 1.00 0.00 N ATOM 1320 CA HIS A 82 13.649 4.313 -8.029 1.00 0.00 C ATOM 1321 C HIS A 82 13.537 5.820 -7.855 1.00 0.00 C ATOM 1322 O HIS A 82 14.442 6.462 -7.327 1.00 0.00 O ATOM 1323 CB HIS A 82 12.587 3.569 -7.197 1.00 0.00 C ATOM 1324 CG HIS A 82 12.973 3.284 -5.768 1.00 0.00 C ATOM 1325 ND1 HIS A 82 12.892 2.064 -5.134 1.00 0.00 N ATOM 1326 CD2 HIS A 82 13.395 4.205 -4.847 1.00 0.00 C ATOM 1327 CE1 HIS A 82 13.293 2.248 -3.865 1.00 0.00 C ATOM 1328 NE2 HIS A 82 13.620 3.531 -3.644 1.00 0.00 N ATOM 0 H HIS A 82 15.229 4.224 -6.711 1.00 0.00 H new ATOM 0 HA HIS A 82 13.468 4.051 -9.071 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.670 4.158 -7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.359 2.624 -7.690 1.00 0.00 H new ATOM 0 HD1 HIS A 82 12.585 1.185 -5.550 1.00 0.00 H new ATOM 0 HD2 HIS A 82 13.530 5.263 -5.019 1.00 0.00 H new ATOM 0 HE1 HIS A 82 13.345 1.467 -3.121 1.00 0.00 H new ATOM 1336 N GLU A 83 12.365 6.306 -8.245 1.00 0.00 N ATOM 1337 CA GLU A 83 11.817 7.658 -8.194 1.00 0.00 C ATOM 1338 C GLU A 83 10.842 7.799 -9.360 1.00 0.00 C ATOM 1339 O GLU A 83 9.668 8.093 -9.163 1.00 0.00 O ATOM 1340 CB GLU A 83 12.888 8.766 -8.244 1.00 0.00 C ATOM 1341 CG GLU A 83 13.317 9.235 -6.842 1.00 0.00 C ATOM 1342 CD GLU A 83 12.355 10.253 -6.229 1.00 0.00 C ATOM 1343 OE1 GLU A 83 11.133 10.118 -6.463 1.00 0.00 O ATOM 1344 OE2 GLU A 83 12.861 11.165 -5.540 1.00 0.00 O ATOM 0 H GLU A 83 11.683 5.673 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 83 11.319 7.791 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.761 8.399 -8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.501 9.616 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 83 13.390 8.370 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.312 9.675 -6.902 1.00 0.00 H new ATOM 1351 N ALA A 84 11.330 7.554 -10.580 1.00 0.00 N ATOM 1352 CA ALA A 84 10.559 7.636 -11.820 1.00 0.00 C ATOM 1353 C ALA A 84 9.221 6.893 -11.751 1.00 0.00 C ATOM 1354 O ALA A 84 8.261 7.283 -12.404 1.00 0.00 O ATOM 1355 CB ALA A 84 11.400 7.087 -12.978 1.00 0.00 C ATOM 0 H ALA A 84 12.302 7.285 -10.734 1.00 0.00 H new ATOM 0 HA ALA A 84 10.322 8.688 -11.981 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.828 7.147 -13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 84 12.312 7.676 -13.076 1.00 0.00 H new ATOM 0 HB3 ALA A 84 11.659 6.047 -12.778 1.00 0.00 H new ATOM 1361 N GLU A 85 9.161 5.817 -10.965 1.00 0.00 N ATOM 1362 CA GLU A 85 7.990 4.967 -10.801 1.00 0.00 C ATOM 1363 C GLU A 85 6.867 5.711 -10.069 1.00 0.00 C ATOM 1364 O GLU A 85 5.692 5.414 -10.274 1.00 0.00 O ATOM 1365 CB GLU A 85 8.364 3.706 -10.009 1.00 0.00 C ATOM 1366 CG GLU A 85 9.434 2.821 -10.674 1.00 0.00 C ATOM 1367 CD GLU A 85 10.814 3.468 -10.756 1.00 0.00 C ATOM 1368 OE1 GLU A 85 11.135 4.255 -9.836 1.00 0.00 O ATOM 1369 OE2 GLU A 85 11.505 3.205 -11.763 1.00 0.00 O ATOM 0 H GLU A 85 9.956 5.506 -10.407 1.00 0.00 H new ATOM 0 HA GLU A 85 7.635 4.688 -11.793 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.721 4.005 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.464 3.110 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.515 1.887 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.104 2.565 -11.681 1.00 0.00 H new ATOM 1376 N LEU A 86 7.227 6.698 -9.241 1.00 0.00 N ATOM 1377 CA LEU A 86 6.321 7.497 -8.431 1.00 0.00 C ATOM 1378 C LEU A 86 5.558 8.511 -9.298 1.00 0.00 C ATOM 1379 O LEU A 86 5.558 9.697 -8.968 1.00 0.00 O ATOM 1380 CB LEU A 86 7.178 8.202 -7.364 1.00 0.00 C ATOM 1381 CG LEU A 86 6.382 8.779 -6.184 1.00 0.00 C ATOM 1382 CD1 LEU A 86 6.063 7.688 -5.159 1.00 0.00 C ATOM 1383 CD2 LEU A 86 7.210 9.875 -5.506 1.00 0.00 C ATOM 0 H LEU A 86 8.203 6.968 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 86 5.566 6.869 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.911 7.493 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.735 9.010 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 86 5.446 9.190 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.499 8.119 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.471 6.905 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.992 7.261 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.650 10.288 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.147 9.452 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.424 10.666 -6.224 1.00 0.00 H new ATOM 1395 N LYS A 87 4.859 8.060 -10.356 1.00 0.00 N ATOM 1396 CA LYS A 87 4.031 8.922 -11.213 1.00 0.00 C ATOM 1397 C LYS A 87 3.171 9.735 -10.239 1.00 0.00 C ATOM 1398 O LYS A 87 2.397 9.088 -9.541 1.00 0.00 O ATOM 1399 CB LYS A 87 3.149 8.084 -12.156 1.00 0.00 C ATOM 1400 CG LYS A 87 3.832 7.710 -13.478 1.00 0.00 C ATOM 1401 CD LYS A 87 5.072 6.835 -13.278 1.00 0.00 C ATOM 1402 CE LYS A 87 5.728 6.505 -14.622 1.00 0.00 C ATOM 1403 NZ LYS A 87 6.957 5.719 -14.423 1.00 0.00 N ATOM 0 H LYS A 87 4.854 7.080 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 87 4.638 9.559 -11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.850 7.171 -11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.237 8.640 -12.374 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.120 7.183 -14.113 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.117 8.621 -14.005 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.787 7.351 -12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.793 5.913 -12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.030 5.946 -15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.962 7.427 -15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.483 5.665 -15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.549 6.177 -13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.708 4.759 -14.109 1.00 0.00 H new ATOM 1417 N PRO A 88 3.371 11.070 -10.131 1.00 0.00 N ATOM 1418 CA PRO A 88 2.832 11.999 -9.148 1.00 0.00 C ATOM 1419 C PRO A 88 1.943 11.436 -8.030 1.00 0.00 C ATOM 1420 O PRO A 88 0.790 11.832 -7.864 1.00 0.00 O ATOM 1421 CB PRO A 88 2.337 13.161 -9.995 1.00 0.00 C ATOM 1422 CG PRO A 88 3.544 13.306 -10.939 1.00 0.00 C ATOM 1423 CD PRO A 88 4.152 11.893 -11.049 1.00 0.00 C ATOM 0 HA PRO A 88 3.586 12.338 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.413 12.931 -10.526 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.152 14.060 -9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.236 13.678 -11.916 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.270 14.016 -10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 88 4.088 11.515 -12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.207 11.896 -10.776 1.00 0.00 H new ATOM 1431 N LEU A 89 2.492 10.436 -7.331 1.00 0.00 N ATOM 1432 CA LEU A 89 1.804 9.646 -6.327 1.00 0.00 C ATOM 1433 C LEU A 89 1.782 10.411 -5.016 1.00 0.00 C ATOM 1434 O LEU A 89 0.720 10.700 -4.475 1.00 0.00 O ATOM 1435 CB LEU A 89 2.491 8.273 -6.235 1.00 0.00 C ATOM 1436 CG LEU A 89 1.582 7.137 -5.742 1.00 0.00 C ATOM 1437 CD1 LEU A 89 2.011 5.827 -6.413 1.00 0.00 C ATOM 1438 CD2 LEU A 89 1.689 6.974 -4.222 1.00 0.00 C ATOM 0 H LEU A 89 3.463 10.152 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 89 0.762 9.467 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.880 8.009 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.347 8.353 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 89 0.551 7.380 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.371 5.015 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.921 5.926 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.047 5.607 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.037 6.164 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.719 6.741 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.387 7.901 -3.735 1.00 0.00 H new ATOM 1450 N ALA A 90 2.963 10.802 -4.528 1.00 0.00 N ATOM 1451 CA ALA A 90 3.047 11.634 -3.332 1.00 0.00 C ATOM 1452 C ALA A 90 2.205 12.889 -3.587 1.00 0.00 C ATOM 1453 O ALA A 90 1.362 13.269 -2.781 1.00 0.00 O ATOM 1454 CB ALA A 90 4.506 12.009 -3.061 1.00 0.00 C ATOM 0 H ALA A 90 3.863 10.557 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 90 2.673 11.101 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.562 12.630 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.093 11.103 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.904 12.562 -3.912 1.00 0.00 H new ATOM 1460 N GLN A 91 2.387 13.468 -4.778 1.00 0.00 N ATOM 1461 CA GLN A 91 1.692 14.654 -5.243 1.00 0.00 C ATOM 1462 C GLN A 91 0.176 14.485 -5.071 1.00 0.00 C ATOM 1463 O GLN A 91 -0.466 15.323 -4.433 1.00 0.00 O ATOM 1464 CB GLN A 91 2.100 14.906 -6.706 1.00 0.00 C ATOM 1465 CG GLN A 91 1.943 16.359 -7.168 1.00 0.00 C ATOM 1466 CD GLN A 91 0.501 16.836 -7.069 1.00 0.00 C ATOM 1467 OE1 GLN A 91 0.287 17.998 -6.469 1.00 0.00 O flip ATOM 1468 NE2 GLN A 91 -0.416 16.157 -7.516 1.00 0.00 N flip ATOM 0 H GLN A 91 3.048 13.104 -5.464 1.00 0.00 H new ATOM 0 HA GLN A 91 1.970 15.526 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 91 3.140 14.607 -6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.500 14.266 -7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.580 17.003 -6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.285 16.451 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.216 15.267 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.379 16.482 -7.432 1.00 0.00 H new ATOM 1477 N SER A 92 -0.404 13.422 -5.641 1.00 0.00 N ATOM 1478 CA SER A 92 -1.831 13.177 -5.531 1.00 0.00 C ATOM 1479 C SER A 92 -2.246 12.957 -4.077 1.00 0.00 C ATOM 1480 O SER A 92 -3.137 13.639 -3.567 1.00 0.00 O ATOM 1481 CB SER A 92 -2.226 11.994 -6.421 1.00 0.00 C ATOM 1482 OG SER A 92 -1.590 10.803 -6.005 1.00 0.00 O ATOM 0 H SER A 92 0.102 12.721 -6.183 1.00 0.00 H new ATOM 0 HA SER A 92 -2.367 14.060 -5.880 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.307 11.860 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.958 12.209 -7.455 1.00 0.00 H new ATOM 0 HG SER A 92 -1.939 10.048 -6.523 1.00 0.00 H new ATOM 1488 N HIS A 93 -1.619 11.981 -3.418 1.00 0.00 N ATOM 1489 CA HIS A 93 -1.896 11.635 -2.031 1.00 0.00 C ATOM 1490 C HIS A 93 -1.759 12.826 -1.075 1.00 0.00 C ATOM 1491 O HIS A 93 -2.385 12.826 -0.016 1.00 0.00 O ATOM 1492 CB HIS A 93 -1.101 10.396 -1.603 1.00 0.00 C ATOM 1493 CG HIS A 93 -1.496 9.178 -2.403 1.00 0.00 C ATOM 1494 ND1 HIS A 93 -1.281 9.019 -3.752 1.00 0.00 N ATOM 1495 CD2 HIS A 93 -2.292 8.132 -2.001 1.00 0.00 C ATOM 1496 CE1 HIS A 93 -1.948 7.931 -4.145 1.00 0.00 C ATOM 1497 NE2 HIS A 93 -2.570 7.340 -3.113 1.00 0.00 N ATOM 0 H HIS A 93 -0.894 11.403 -3.843 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.949 11.363 -1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.035 10.585 -1.730 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.267 10.205 -0.543 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -0.714 9.624 -4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.642 7.954 -0.995 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.983 7.572 -5.163 1.00 0.00 H new ATOM 1505 N ALA A 94 -0.957 13.830 -1.435 1.00 0.00 N ATOM 1506 CA ALA A 94 -0.742 15.034 -0.645 1.00 0.00 C ATOM 1507 C ALA A 94 -1.734 16.145 -0.986 1.00 0.00 C ATOM 1508 O ALA A 94 -2.359 16.702 -0.088 1.00 0.00 O ATOM 1509 CB ALA A 94 0.686 15.550 -0.859 1.00 0.00 C ATOM 0 H ALA A 94 -0.428 13.824 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.897 14.761 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.840 16.451 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.399 14.786 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.835 15.781 -1.914 1.00 0.00 H new ATOM 1515 N THR A 95 -1.835 16.525 -2.263 1.00 0.00 N ATOM 1516 CA THR A 95 -2.647 17.668 -2.676 1.00 0.00 C ATOM 1517 C THR A 95 -4.093 17.329 -3.035 1.00 0.00 C ATOM 1518 O THR A 95 -4.970 18.166 -2.839 1.00 0.00 O ATOM 1519 CB THR A 95 -1.992 18.410 -3.848 1.00 0.00 C ATOM 1520 OG1 THR A 95 -1.950 17.605 -5.009 1.00 0.00 O ATOM 1521 CG2 THR A 95 -0.582 18.898 -3.498 1.00 0.00 C ATOM 0 H THR A 95 -1.360 16.052 -3.032 1.00 0.00 H new ATOM 0 HA THR A 95 -2.692 18.308 -1.795 1.00 0.00 H new ATOM 0 HB THR A 95 -2.613 19.283 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.219 17.905 -5.589 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.154 19.418 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.633 19.579 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 95 0.045 18.044 -3.241 1.00 0.00 H new ATOM 1529 N LYS A 96 -4.352 16.143 -3.591 1.00 0.00 N ATOM 1530 CA LYS A 96 -5.684 15.779 -4.052 1.00 0.00 C ATOM 1531 C LYS A 96 -6.428 14.989 -2.982 1.00 0.00 C ATOM 1532 O LYS A 96 -7.538 15.340 -2.592 1.00 0.00 O ATOM 1533 CB LYS A 96 -5.596 14.965 -5.355 1.00 0.00 C ATOM 1534 CG LYS A 96 -4.922 15.747 -6.494 1.00 0.00 C ATOM 1535 CD LYS A 96 -4.660 14.866 -7.726 1.00 0.00 C ATOM 1536 CE LYS A 96 -5.940 14.334 -8.381 1.00 0.00 C ATOM 1537 NZ LYS A 96 -5.628 13.497 -9.554 1.00 0.00 N ATOM 0 H LYS A 96 -3.649 15.418 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.240 16.695 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.038 14.047 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.599 14.671 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.554 16.588 -6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.979 16.162 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.097 15.441 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.034 14.023 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.508 13.752 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.571 15.169 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.512 13.150 -9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.106 14.062 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.045 12.688 -9.258 1.00 0.00 H new ATOM 1551 N HIS A 97 -5.835 13.877 -2.554 1.00 0.00 N ATOM 1552 CA HIS A 97 -6.494 12.932 -1.663 1.00 0.00 C ATOM 1553 C HIS A 97 -6.394 13.298 -0.180 1.00 0.00 C ATOM 1554 O HIS A 97 -7.304 12.971 0.576 1.00 0.00 O ATOM 1555 CB HIS A 97 -5.946 11.537 -1.940 1.00 0.00 C ATOM 1556 CG HIS A 97 -5.920 11.151 -3.398 1.00 0.00 C ATOM 1557 ND1 HIS A 97 -6.760 11.619 -4.390 1.00 0.00 N ATOM 1558 CD2 HIS A 97 -4.957 10.389 -3.990 1.00 0.00 C ATOM 1559 CE1 HIS A 97 -6.313 11.130 -5.563 1.00 0.00 C ATOM 1560 NE2 HIS A 97 -5.233 10.361 -5.340 1.00 0.00 N ATOM 0 H HIS A 97 -4.886 13.608 -2.816 1.00 0.00 H new ATOM 0 HA HIS A 97 -7.562 12.965 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.933 11.473 -1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.548 10.810 -1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.132 9.899 -3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.753 11.325 -6.530 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.709 9.846 -6.047 1.00 0.00 H new ATOM 1569 N LYS A 98 -5.311 13.966 0.237 1.00 0.00 N ATOM 1570 CA LYS A 98 -5.063 14.375 1.624 1.00 0.00 C ATOM 1571 C LYS A 98 -4.948 13.143 2.537 1.00 0.00 C ATOM 1572 O LYS A 98 -5.655 13.009 3.534 1.00 0.00 O ATOM 1573 CB LYS A 98 -6.153 15.333 2.137 1.00 0.00 C ATOM 1574 CG LYS A 98 -6.599 16.435 1.165 1.00 0.00 C ATOM 1575 CD LYS A 98 -5.434 17.324 0.719 1.00 0.00 C ATOM 1576 CE LYS A 98 -5.920 18.578 -0.014 1.00 0.00 C ATOM 1577 NZ LYS A 98 -6.638 19.504 0.879 1.00 0.00 N ATOM 0 H LYS A 98 -4.563 14.244 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.116 14.915 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.027 14.742 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.791 15.807 3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.061 15.979 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.361 17.051 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.847 17.617 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.773 16.755 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.066 19.092 -0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.576 18.286 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.724 20.433 0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.587 19.128 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.111 19.606 1.770 1.00 0.00 H new ATOM 1591 N ILE A 99 -4.036 12.234 2.201 1.00 0.00 N ATOM 1592 CA ILE A 99 -3.797 11.006 2.943 1.00 0.00 C ATOM 1593 C ILE A 99 -2.609 11.225 3.883 1.00 0.00 C ATOM 1594 O ILE A 99 -1.482 11.295 3.399 1.00 0.00 O ATOM 1595 CB ILE A 99 -3.480 9.906 1.918 1.00 0.00 C ATOM 1596 CG1 ILE A 99 -4.631 9.695 0.919 1.00 0.00 C ATOM 1597 CG2 ILE A 99 -3.043 8.555 2.503 1.00 0.00 C ATOM 1598 CD1 ILE A 99 -6.007 9.450 1.548 1.00 0.00 C ATOM 0 H ILE A 99 -3.431 12.336 1.386 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.663 10.719 3.539 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.606 10.299 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.695 10.571 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.385 8.846 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.845 7.854 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.138 8.690 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.836 8.160 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.748 9.314 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.969 8.555 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.284 10.307 2.162 1.00 0.00 H new ATOM 1610 N PRO A 100 -2.791 11.333 5.209 1.00 0.00 N ATOM 1611 CA PRO A 100 -1.661 11.485 6.113 1.00 0.00 C ATOM 1612 C PRO A 100 -0.804 10.216 6.053 1.00 0.00 C ATOM 1613 O PRO A 100 -1.327 9.114 5.910 1.00 0.00 O ATOM 1614 CB PRO A 100 -2.272 11.694 7.501 1.00 0.00 C ATOM 1615 CG PRO A 100 -3.628 10.999 7.399 1.00 0.00 C ATOM 1616 CD PRO A 100 -4.038 11.260 5.951 1.00 0.00 C ATOM 0 HA PRO A 100 -1.013 12.322 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.653 11.254 8.283 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.380 12.753 7.737 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.552 9.933 7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.349 11.414 8.104 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.675 10.461 5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.603 12.188 5.863 1.00 0.00 H new ATOM 1624 N ILE A 101 0.514 10.336 6.242 1.00 0.00 N ATOM 1625 CA ILE A 101 1.459 9.257 6.207 1.00 0.00 C ATOM 1626 C ILE A 101 1.044 8.111 7.136 1.00 0.00 C ATOM 1627 O ILE A 101 1.302 6.945 6.854 1.00 0.00 O ATOM 1628 CB ILE A 101 2.802 9.870 6.600 1.00 0.00 C ATOM 1629 CG1 ILE A 101 2.927 10.353 8.056 1.00 0.00 C ATOM 1630 CG2 ILE A 101 3.256 10.938 5.604 1.00 0.00 C ATOM 1631 CD1 ILE A 101 2.152 11.622 8.430 1.00 0.00 C ATOM 0 H ILE A 101 0.954 11.237 6.431 1.00 0.00 H new ATOM 0 HA ILE A 101 1.515 8.805 5.217 1.00 0.00 H new ATOM 0 HB ILE A 101 3.492 9.028 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.597 9.547 8.711 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.982 10.524 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.215 11.348 5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.362 10.492 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.516 11.737 5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.323 11.856 9.481 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.494 12.453 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.087 11.461 8.263 1.00 0.00 H new ATOM 1643 N LYS A 102 0.355 8.456 8.228 1.00 0.00 N ATOM 1644 CA LYS A 102 -0.211 7.516 9.190 1.00 0.00 C ATOM 1645 C LYS A 102 -0.981 6.425 8.440 1.00 0.00 C ATOM 1646 O LYS A 102 -0.833 5.237 8.714 1.00 0.00 O ATOM 1647 CB LYS A 102 -1.123 8.275 10.171 1.00 0.00 C ATOM 1648 CG LYS A 102 -1.848 7.365 11.179 1.00 0.00 C ATOM 1649 CD LYS A 102 -0.890 6.460 11.967 1.00 0.00 C ATOM 1650 CE LYS A 102 -1.659 5.695 13.048 1.00 0.00 C ATOM 1651 NZ LYS A 102 -0.785 4.744 13.757 1.00 0.00 N ATOM 0 H LYS A 102 0.172 9.430 8.471 1.00 0.00 H new ATOM 0 HA LYS A 102 0.583 7.039 9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.525 9.003 10.719 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.865 8.835 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.412 7.983 11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -2.570 6.745 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.402 5.758 11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.104 7.060 12.425 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.086 6.400 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.491 5.158 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.335 4.242 14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.397 4.057 13.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.005 5.261 14.210 1.00 0.00 H new ATOM 1665 N TYR A 103 -1.774 6.828 7.448 1.00 0.00 N ATOM 1666 CA TYR A 103 -2.534 5.893 6.646 1.00 0.00 C ATOM 1667 C TYR A 103 -1.606 5.000 5.809 1.00 0.00 C ATOM 1668 O TYR A 103 -1.913 3.832 5.582 1.00 0.00 O ATOM 1669 CB TYR A 103 -3.523 6.654 5.762 1.00 0.00 C ATOM 1670 CG TYR A 103 -4.713 7.347 6.414 1.00 0.00 C ATOM 1671 CD1 TYR A 103 -5.042 7.164 7.773 1.00 0.00 C ATOM 1672 CD2 TYR A 103 -5.657 7.951 5.563 1.00 0.00 C ATOM 1673 CE1 TYR A 103 -6.339 7.467 8.235 1.00 0.00 C ATOM 1674 CE2 TYR A 103 -6.947 8.260 6.024 1.00 0.00 C ATOM 1675 CZ TYR A 103 -7.292 8.010 7.359 1.00 0.00 C ATOM 1676 OH TYR A 103 -8.533 8.321 7.821 1.00 0.00 O ATOM 0 H TYR A 103 -1.902 7.805 7.186 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.097 5.237 7.310 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -2.961 7.411 5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -3.914 5.952 5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.298 6.791 8.462 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.386 8.180 4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -6.600 7.281 9.266 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.673 8.690 5.350 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.196 8.147 7.121 1.00 0.00 H new ATOM 1686 N LEU A 104 -0.439 5.500 5.392 1.00 0.00 N ATOM 1687 CA LEU A 104 0.514 4.649 4.692 1.00 0.00 C ATOM 1688 C LEU A 104 1.070 3.624 5.692 1.00 0.00 C ATOM 1689 O LEU A 104 1.258 2.457 5.350 1.00 0.00 O ATOM 1690 CB LEU A 104 1.593 5.468 3.978 1.00 0.00 C ATOM 1691 CG LEU A 104 1.024 6.591 3.089 1.00 0.00 C ATOM 1692 CD1 LEU A 104 2.171 7.446 2.534 1.00 0.00 C ATOM 1693 CD2 LEU A 104 0.169 6.083 1.924 1.00 0.00 C ATOM 0 H LEU A 104 -0.140 6.466 5.525 1.00 0.00 H new ATOM 0 HA LEU A 104 0.017 4.104 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.258 5.906 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.198 4.801 3.364 1.00 0.00 H new ATOM 0 HG LEU A 104 0.369 7.181 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.763 8.238 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.728 7.888 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.837 6.820 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.196 6.931 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.772 5.438 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.678 5.518 2.314 1.00 0.00 H new ATOM 1705 N GLU A 105 1.238 4.014 6.963 1.00 0.00 N ATOM 1706 CA GLU A 105 1.611 3.055 7.998 1.00 0.00 C ATOM 1707 C GLU A 105 0.509 1.994 8.103 1.00 0.00 C ATOM 1708 O GLU A 105 0.801 0.801 8.176 1.00 0.00 O ATOM 1709 CB GLU A 105 1.860 3.713 9.366 1.00 0.00 C ATOM 1710 CG GLU A 105 2.724 4.981 9.326 1.00 0.00 C ATOM 1711 CD GLU A 105 4.042 4.790 8.594 1.00 0.00 C ATOM 1712 OE1 GLU A 105 4.670 3.733 8.822 1.00 0.00 O ATOM 1713 OE2 GLU A 105 4.397 5.701 7.815 1.00 0.00 O ATOM 0 H GLU A 105 1.122 4.973 7.291 1.00 0.00 H new ATOM 0 HA GLU A 105 2.557 2.597 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.898 3.961 9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.339 2.985 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.161 5.780 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.927 5.306 10.346 1.00 0.00 H new ATOM 1720 N PHE A 106 -0.757 2.424 8.150 1.00 0.00 N ATOM 1721 CA PHE A 106 -1.877 1.497 8.160 1.00 0.00 C ATOM 1722 C PHE A 106 -1.806 0.511 6.992 1.00 0.00 C ATOM 1723 O PHE A 106 -1.959 -0.691 7.215 1.00 0.00 O ATOM 1724 CB PHE A 106 -3.226 2.222 8.113 1.00 0.00 C ATOM 1725 CG PHE A 106 -3.709 3.026 9.310 1.00 0.00 C ATOM 1726 CD1 PHE A 106 -3.468 2.574 10.623 1.00 0.00 C ATOM 1727 CD2 PHE A 106 -4.719 3.987 9.097 1.00 0.00 C ATOM 1728 CE1 PHE A 106 -4.203 3.092 11.704 1.00 0.00 C ATOM 1729 CE2 PHE A 106 -5.423 4.536 10.183 1.00 0.00 C ATOM 1730 CZ PHE A 106 -5.168 4.089 11.489 1.00 0.00 C ATOM 0 H PHE A 106 -1.024 3.408 8.181 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.802 0.950 9.100 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -3.198 2.900 7.260 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.988 1.472 7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.712 1.823 10.800 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.954 4.304 8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -4.025 2.722 12.703 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.163 5.304 10.012 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.711 4.509 12.323 1.00 0.00 H new ATOM 1740 N ILE A 107 -1.639 0.978 5.748 1.00 0.00 N ATOM 1741 CA ILE A 107 -1.592 0.029 4.638 1.00 0.00 C ATOM 1742 C ILE A 107 -0.333 -0.834 4.702 1.00 0.00 C ATOM 1743 O ILE A 107 -0.354 -1.973 4.243 1.00 0.00 O ATOM 1744 CB ILE A 107 -1.867 0.657 3.259 1.00 0.00 C ATOM 1745 CG1 ILE A 107 -2.443 -0.412 2.311 1.00 0.00 C ATOM 1746 CG2 ILE A 107 -0.588 1.239 2.656 1.00 0.00 C ATOM 1747 CD1 ILE A 107 -2.893 0.156 0.959 1.00 0.00 C ATOM 0 H ILE A 107 -1.539 1.961 5.495 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.436 -0.649 4.767 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.586 1.466 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -1.690 -1.181 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.291 -0.897 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.811 1.676 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.192 2.009 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.151 0.447 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.288 -0.649 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.669 0.905 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.042 0.616 0.456 1.00 0.00 H new ATOM 1759 N SER A 108 0.774 -0.308 5.232 1.00 0.00 N ATOM 1760 CA SER A 108 1.968 -1.119 5.407 1.00 0.00 C ATOM 1761 C SER A 108 1.621 -2.277 6.349 1.00 0.00 C ATOM 1762 O SER A 108 1.840 -3.444 6.024 1.00 0.00 O ATOM 1763 CB SER A 108 3.132 -0.257 5.917 1.00 0.00 C ATOM 1764 OG SER A 108 4.328 -1.008 5.964 1.00 0.00 O ATOM 0 H SER A 108 0.863 0.660 5.541 1.00 0.00 H new ATOM 0 HA SER A 108 2.301 -1.537 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.264 0.606 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.899 0.127 6.910 1.00 0.00 H new ATOM 0 HG SER A 108 4.828 -0.776 6.774 1.00 0.00 H new ATOM 1770 N GLU A 109 1.057 -1.950 7.514 1.00 0.00 N ATOM 1771 CA GLU A 109 0.582 -2.936 8.472 1.00 0.00 C ATOM 1772 C GLU A 109 -0.334 -3.948 7.778 1.00 0.00 C ATOM 1773 O GLU A 109 -0.190 -5.153 7.979 1.00 0.00 O ATOM 1774 CB GLU A 109 -0.127 -2.220 9.627 1.00 0.00 C ATOM 1775 CG GLU A 109 0.849 -1.374 10.464 1.00 0.00 C ATOM 1776 CD GLU A 109 0.148 -0.209 11.164 1.00 0.00 C ATOM 1777 OE1 GLU A 109 -1.030 -0.389 11.540 1.00 0.00 O ATOM 1778 OE2 GLU A 109 0.800 0.849 11.307 1.00 0.00 O ATOM 0 H GLU A 109 0.919 -0.986 7.816 1.00 0.00 H new ATOM 0 HA GLU A 109 1.425 -3.492 8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.913 -1.579 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.611 -2.957 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.330 -2.008 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.637 -0.987 9.819 1.00 0.00 H new ATOM 1785 N ALA A 110 -1.262 -3.467 6.942 1.00 0.00 N ATOM 1786 CA ALA A 110 -2.144 -4.350 6.193 1.00 0.00 C ATOM 1787 C ALA A 110 -1.334 -5.302 5.310 1.00 0.00 C ATOM 1788 O ALA A 110 -1.404 -6.511 5.514 1.00 0.00 O ATOM 1789 CB ALA A 110 -3.175 -3.553 5.393 1.00 0.00 C ATOM 0 H ALA A 110 -1.416 -2.473 6.772 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.702 -4.962 6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.819 -4.240 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.780 -2.954 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.662 -2.897 4.690 1.00 0.00 H new ATOM 1795 N ILE A 111 -0.471 -4.803 4.411 1.00 0.00 N ATOM 1796 CA ILE A 111 0.233 -5.722 3.519 1.00 0.00 C ATOM 1797 C ILE A 111 1.077 -6.716 4.321 1.00 0.00 C ATOM 1798 O ILE A 111 1.038 -7.917 4.056 1.00 0.00 O ATOM 1799 CB ILE A 111 0.984 -5.038 2.354 1.00 0.00 C ATOM 1800 CG1 ILE A 111 2.382 -4.480 2.658 1.00 0.00 C ATOM 1801 CG2 ILE A 111 0.147 -3.915 1.728 1.00 0.00 C ATOM 1802 CD1 ILE A 111 3.515 -5.508 2.560 1.00 0.00 C ATOM 0 H ILE A 111 -0.254 -3.814 4.288 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.529 -6.301 2.997 1.00 0.00 H new ATOM 0 HB ILE A 111 1.138 -5.867 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 111 2.590 -3.662 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.379 -4.057 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 111 0.706 -3.456 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -0.785 -4.328 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.075 -3.162 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.465 -5.026 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.336 -6.315 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 111 3.551 -5.915 1.549 1.00 0.00 H new ATOM 1814 N ILE A 112 1.742 -6.245 5.383 1.00 0.00 N ATOM 1815 CA ILE A 112 2.534 -7.108 6.253 1.00 0.00 C ATOM 1816 C ILE A 112 1.616 -8.207 6.814 1.00 0.00 C ATOM 1817 O ILE A 112 1.949 -9.395 6.777 1.00 0.00 O ATOM 1818 CB ILE A 112 3.214 -6.256 7.350 1.00 0.00 C ATOM 1819 CG1 ILE A 112 4.272 -5.279 6.789 1.00 0.00 C ATOM 1820 CG2 ILE A 112 3.831 -7.121 8.455 1.00 0.00 C ATOM 1821 CD1 ILE A 112 5.576 -5.911 6.295 1.00 0.00 C ATOM 0 H ILE A 112 1.744 -5.263 5.658 1.00 0.00 H new ATOM 0 HA ILE A 112 3.338 -7.599 5.704 1.00 0.00 H new ATOM 0 HB ILE A 112 2.413 -5.658 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.825 -4.725 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.515 -4.553 7.565 1.00 0.00 H new ATOM 0 HG21 ILE A 112 4.297 -6.479 9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.052 -7.720 8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.584 -7.780 8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.241 -5.131 5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.059 -6.439 7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.358 -6.614 5.491 1.00 0.00 H new ATOM 1833 N HIS A 113 0.435 -7.822 7.312 1.00 0.00 N ATOM 1834 CA HIS A 113 -0.534 -8.766 7.846 1.00 0.00 C ATOM 1835 C HIS A 113 -0.965 -9.783 6.781 1.00 0.00 C ATOM 1836 O HIS A 113 -0.942 -10.986 7.047 1.00 0.00 O ATOM 1837 CB HIS A 113 -1.744 -8.040 8.459 1.00 0.00 C ATOM 1838 CG HIS A 113 -2.688 -9.003 9.130 1.00 0.00 C ATOM 1839 ND1 HIS A 113 -2.556 -9.477 10.421 1.00 0.00 N ATOM 1840 CD2 HIS A 113 -3.595 -9.793 8.479 1.00 0.00 C ATOM 1841 CE1 HIS A 113 -3.397 -10.517 10.563 1.00 0.00 C ATOM 1842 NE2 HIS A 113 -4.041 -10.720 9.398 1.00 0.00 N ATOM 0 H HIS A 113 0.132 -6.849 7.353 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.048 -9.321 8.649 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -1.398 -7.304 9.185 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -2.274 -7.494 7.679 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -3.902 -9.708 7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -3.534 -11.095 11.465 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -4.742 -11.440 9.224 1.00 0.00 H new ATOM 1851 N VAL A 114 -1.343 -9.336 5.576 1.00 0.00 N ATOM 1852 CA VAL A 114 -1.806 -10.261 4.537 1.00 0.00 C ATOM 1853 C VAL A 114 -0.692 -11.241 4.180 1.00 0.00 C ATOM 1854 O VAL A 114 -0.947 -12.439 4.080 1.00 0.00 O ATOM 1855 CB VAL A 114 -2.382 -9.555 3.291 1.00 0.00 C ATOM 1856 CG1 VAL A 114 -3.059 -10.584 2.377 1.00 0.00 C ATOM 1857 CG2 VAL A 114 -3.457 -8.558 3.739 1.00 0.00 C ATOM 0 H VAL A 114 -1.337 -8.354 5.300 1.00 0.00 H new ATOM 0 HA VAL A 114 -2.646 -10.818 4.952 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.573 -9.052 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.464 -10.080 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -2.328 -11.329 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -3.867 -11.075 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.871 -8.053 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -4.252 -9.090 4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.013 -7.821 4.408 1.00 0.00 H new ATOM 1867 N LEU A 115 0.542 -10.752 4.020 1.00 0.00 N ATOM 1868 CA LEU A 115 1.679 -11.620 3.740 1.00 0.00 C ATOM 1869 C LEU A 115 1.788 -12.671 4.839 1.00 0.00 C ATOM 1870 O LEU A 115 1.802 -13.864 4.554 1.00 0.00 O ATOM 1871 CB LEU A 115 2.977 -10.815 3.646 1.00 0.00 C ATOM 1872 CG LEU A 115 3.015 -9.867 2.443 1.00 0.00 C ATOM 1873 CD1 LEU A 115 4.280 -9.018 2.564 1.00 0.00 C ATOM 1874 CD2 LEU A 115 3.012 -10.623 1.112 1.00 0.00 C ATOM 0 H LEU A 115 0.774 -9.761 4.080 1.00 0.00 H new ATOM 0 HA LEU A 115 1.521 -12.108 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.105 -10.236 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.820 -11.503 3.584 1.00 0.00 H new ATOM 0 HG LEU A 115 2.120 -9.245 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.338 -8.330 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.250 -8.450 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.155 -9.667 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.040 -9.910 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.887 -11.271 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.108 -11.227 1.039 1.00 0.00 H new ATOM 1886 N HIS A 116 1.829 -12.240 6.102 1.00 0.00 N ATOM 1887 CA HIS A 116 1.900 -13.166 7.224 1.00 0.00 C ATOM 1888 C HIS A 116 0.773 -14.204 7.181 1.00 0.00 C ATOM 1889 O HIS A 116 1.016 -15.393 7.385 1.00 0.00 O ATOM 1890 CB HIS A 116 1.869 -12.382 8.540 1.00 0.00 C ATOM 1891 CG HIS A 116 2.218 -13.213 9.748 1.00 0.00 C ATOM 1892 ND1 HIS A 116 2.044 -14.578 9.886 1.00 0.00 N ATOM 1893 CD2 HIS A 116 2.707 -12.724 10.924 1.00 0.00 C ATOM 1894 CE1 HIS A 116 2.417 -14.910 11.134 1.00 0.00 C ATOM 1895 NE2 HIS A 116 2.828 -13.801 11.779 1.00 0.00 N ATOM 0 H HIS A 116 1.814 -11.256 6.368 1.00 0.00 H new ATOM 0 HA HIS A 116 2.839 -13.715 7.153 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.565 -11.546 8.471 1.00 0.00 H new ATOM 0 HB3 HIS A 116 0.874 -11.958 8.677 1.00 0.00 H new ATOM 0 HD1 HIS A 116 1.696 -15.217 9.171 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.952 -11.695 11.143 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.391 -15.905 11.552 1.00 0.00 H new ATOM 1904 N SER A 117 -0.457 -13.756 6.923 1.00 0.00 N ATOM 1905 CA SER A 117 -1.634 -14.612 6.949 1.00 0.00 C ATOM 1906 C SER A 117 -1.639 -15.630 5.809 1.00 0.00 C ATOM 1907 O SER A 117 -1.880 -16.813 6.027 1.00 0.00 O ATOM 1908 CB SER A 117 -2.896 -13.747 6.871 1.00 0.00 C ATOM 1909 OG SER A 117 -2.887 -12.798 7.914 1.00 0.00 O ATOM 0 H SER A 117 -0.661 -12.784 6.690 1.00 0.00 H new ATOM 0 HA SER A 117 -1.613 -15.171 7.885 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.943 -13.241 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 117 -3.784 -14.375 6.945 1.00 0.00 H new ATOM 0 HG SER A 117 -2.228 -12.100 7.716 1.00 0.00 H new ATOM 1915 N ARG A 118 -1.401 -15.155 4.584 1.00 0.00 N ATOM 1916 CA ARG A 118 -1.472 -15.955 3.370 1.00 0.00 C ATOM 1917 C ARG A 118 -0.205 -16.786 3.149 1.00 0.00 C ATOM 1918 O ARG A 118 -0.261 -17.875 2.568 1.00 0.00 O ATOM 1919 CB ARG A 118 -1.742 -15.011 2.189 1.00 0.00 C ATOM 1920 CG ARG A 118 -2.294 -15.771 0.979 1.00 0.00 C ATOM 1921 CD ARG A 118 -2.598 -14.817 -0.180 1.00 0.00 C ATOM 1922 NE ARG A 118 -2.933 -15.579 -1.391 1.00 0.00 N ATOM 1923 CZ ARG A 118 -3.620 -15.114 -2.444 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -4.024 -13.841 -2.500 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -3.916 -15.937 -3.454 1.00 0.00 N ATOM 0 H ARG A 118 -1.149 -14.182 4.410 1.00 0.00 H new ATOM 0 HA ARG A 118 -2.284 -16.676 3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -2.452 -14.241 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.819 -14.502 1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.572 -16.521 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -3.202 -16.304 1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -3.427 -14.162 0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.735 -14.178 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 118 -2.615 -16.547 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.811 -13.204 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.546 -13.507 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.620 -16.912 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.438 -15.590 -4.258 1.00 0.00 H new ATOM 1939 N HIS A 119 0.956 -16.279 3.582 1.00 0.00 N ATOM 1940 CA HIS A 119 2.221 -16.932 3.340 1.00 0.00 C ATOM 1941 C HIS A 119 3.038 -17.132 4.626 1.00 0.00 C ATOM 1942 O HIS A 119 4.166 -16.642 4.723 1.00 0.00 O ATOM 1943 CB HIS A 119 2.967 -16.135 2.259 1.00 0.00 C ATOM 1944 CG HIS A 119 2.124 -15.826 1.039 1.00 0.00 C ATOM 1945 ND1 HIS A 119 1.292 -16.707 0.376 1.00 0.00 N ATOM 1946 CD2 HIS A 119 2.042 -14.618 0.405 1.00 0.00 C ATOM 1947 CE1 HIS A 119 0.744 -16.049 -0.664 1.00 0.00 C ATOM 1948 NE2 HIS A 119 1.183 -14.778 -0.660 1.00 0.00 N ATOM 0 H HIS A 119 1.031 -15.407 4.107 1.00 0.00 H new ATOM 0 HA HIS A 119 2.051 -17.946 2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.322 -15.199 2.690 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.847 -16.697 1.948 1.00 0.00 H new ATOM 0 HD2 HIS A 119 2.554 -13.710 0.686 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.062 -16.474 -1.385 1.00 0.00 H new ATOM 0 HE2 HIS A 119 0.924 -14.055 -1.331 1.00 0.00 H new ATOM 1957 N PRO A 120 2.499 -17.843 5.631 1.00 0.00 N ATOM 1958 CA PRO A 120 3.197 -18.083 6.883 1.00 0.00 C ATOM 1959 C PRO A 120 4.392 -19.005 6.643 1.00 0.00 C ATOM 1960 O PRO A 120 4.462 -19.695 5.625 1.00 0.00 O ATOM 1961 CB PRO A 120 2.162 -18.722 7.813 1.00 0.00 C ATOM 1962 CG PRO A 120 1.232 -19.442 6.841 1.00 0.00 C ATOM 1963 CD PRO A 120 1.199 -18.492 5.645 1.00 0.00 C ATOM 0 HA PRO A 120 3.597 -17.169 7.322 1.00 0.00 H new ATOM 0 HB2 PRO A 120 2.624 -19.413 8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 120 1.631 -17.974 8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 120 1.615 -20.425 6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 120 0.240 -19.593 7.266 1.00 0.00 H new ATOM 0 HD2 PRO A 120 1.021 -19.035 4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 120 0.396 -17.761 5.746 1.00 0.00 H new ATOM 1971 N GLY A 121 5.361 -19.000 7.563 1.00 0.00 N ATOM 1972 CA GLY A 121 6.567 -19.810 7.443 1.00 0.00 C ATOM 1973 C GLY A 121 7.543 -19.144 6.475 1.00 0.00 C ATOM 1974 O GLY A 121 8.687 -18.863 6.829 1.00 0.00 O ATOM 0 H GLY A 121 5.327 -18.433 8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 121 7.035 -19.930 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.312 -20.808 7.087 1.00 0.00 H new ATOM 1978 N ASP A 122 7.102 -18.911 5.237 1.00 0.00 N ATOM 1979 CA ASP A 122 7.908 -18.172 4.289 1.00 0.00 C ATOM 1980 C ASP A 122 8.017 -16.726 4.751 1.00 0.00 C ATOM 1981 O ASP A 122 9.080 -16.110 4.627 1.00 0.00 O ATOM 1982 CB ASP A 122 7.328 -18.250 2.874 1.00 0.00 C ATOM 1983 CG ASP A 122 7.496 -19.635 2.258 1.00 0.00 C ATOM 1984 OD1 ASP A 122 6.761 -20.546 2.695 1.00 0.00 O ATOM 1985 OD2 ASP A 122 8.330 -19.746 1.335 1.00 0.00 O ATOM 0 H ASP A 122 6.199 -19.223 4.879 1.00 0.00 H new ATOM 0 HA ASP A 122 8.901 -18.619 4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.269 -17.993 2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 122 7.819 -17.511 2.241 1.00 0.00 H new ATOM 1990 N PHE A 123 6.903 -16.142 5.204 1.00 0.00 N ATOM 1991 CA PHE A 123 6.970 -14.797 5.722 1.00 0.00 C ATOM 1992 C PHE A 123 7.442 -14.830 7.174 1.00 0.00 C ATOM 1993 O PHE A 123 6.658 -14.651 8.107 1.00 0.00 O ATOM 1994 CB PHE A 123 5.655 -14.044 5.509 1.00 0.00 C ATOM 1995 CG PHE A 123 5.796 -12.553 5.721 1.00 0.00 C ATOM 1996 CD1 PHE A 123 6.594 -11.801 4.842 1.00 0.00 C ATOM 1997 CD2 PHE A 123 5.166 -11.920 6.805 1.00 0.00 C ATOM 1998 CE1 PHE A 123 6.667 -10.406 4.977 1.00 0.00 C ATOM 1999 CE2 PHE A 123 5.167 -10.520 6.889 1.00 0.00 C ATOM 2000 CZ PHE A 123 5.899 -9.763 5.960 1.00 0.00 C ATOM 0 H PHE A 123 5.979 -16.573 5.218 1.00 0.00 H new ATOM 0 HA PHE A 123 7.709 -14.225 5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 123 5.294 -14.231 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 123 4.902 -14.435 6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.152 -12.297 4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 123 4.683 -12.509 7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 123 7.311 -9.831 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 123 4.605 -10.025 7.667 1.00 0.00 H new ATOM 0 HZ PHE A 123 5.871 -8.684 6.002 1.00 0.00 H new ATOM 2010 N GLY A 124 8.725 -15.148 7.359 1.00 0.00 N ATOM 2011 CA GLY A 124 9.329 -15.193 8.675 1.00 0.00 C ATOM 2012 C GLY A 124 9.808 -13.802 9.090 1.00 0.00 C ATOM 2013 O GLY A 124 9.757 -12.859 8.301 1.00 0.00 O ATOM 0 H GLY A 124 9.365 -15.379 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 124 8.607 -15.567 9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 124 10.169 -15.888 8.673 1.00 0.00 H new ATOM 2017 N ALA A 125 10.292 -13.672 10.330 1.00 0.00 N ATOM 2018 CA ALA A 125 10.754 -12.408 10.899 1.00 0.00 C ATOM 2019 C ALA A 125 11.695 -11.654 9.950 1.00 0.00 C ATOM 2020 O ALA A 125 11.530 -10.457 9.723 1.00 0.00 O ATOM 2021 CB ALA A 125 11.428 -12.673 12.248 1.00 0.00 C ATOM 0 H ALA A 125 10.374 -14.458 10.975 1.00 0.00 H new ATOM 0 HA ALA A 125 9.887 -11.765 11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 125 11.773 -11.731 12.674 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.713 -13.138 12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 125 12.278 -13.340 12.105 1.00 0.00 H new ATOM 2027 N ASP A 126 12.657 -12.366 9.353 1.00 0.00 N ATOM 2028 CA ASP A 126 13.627 -11.788 8.430 1.00 0.00 C ATOM 2029 C ASP A 126 12.900 -11.121 7.261 1.00 0.00 C ATOM 2030 O ASP A 126 13.213 -9.992 6.881 1.00 0.00 O ATOM 2031 CB ASP A 126 14.565 -12.882 7.896 1.00 0.00 C ATOM 2032 CG ASP A 126 15.338 -13.570 9.015 1.00 0.00 C ATOM 2033 OD1 ASP A 126 14.695 -14.373 9.728 1.00 0.00 O ATOM 2034 OD2 ASP A 126 16.545 -13.273 9.144 1.00 0.00 O ATOM 0 H ASP A 126 12.781 -13.367 9.501 1.00 0.00 H new ATOM 0 HA ASP A 126 14.216 -11.041 8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.982 -13.623 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 126 15.267 -12.443 7.188 1.00 0.00 H new ATOM 2039 N ALA A 127 11.934 -11.845 6.686 1.00 0.00 N ATOM 2040 CA ALA A 127 11.133 -11.357 5.581 1.00 0.00 C ATOM 2041 C ALA A 127 10.360 -10.129 6.060 1.00 0.00 C ATOM 2042 O ALA A 127 10.486 -9.074 5.452 1.00 0.00 O ATOM 2043 CB ALA A 127 10.218 -12.463 5.051 1.00 0.00 C ATOM 0 H ALA A 127 11.692 -12.790 6.983 1.00 0.00 H new ATOM 0 HA ALA A 127 11.766 -11.063 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.624 -12.078 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.823 -13.301 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.554 -12.799 5.847 1.00 0.00 H new ATOM 2049 N GLN A 128 9.667 -10.230 7.200 1.00 0.00 N ATOM 2050 CA GLN A 128 8.934 -9.121 7.809 1.00 0.00 C ATOM 2051 C GLN A 128 9.803 -7.860 7.878 1.00 0.00 C ATOM 2052 O GLN A 128 9.408 -6.804 7.390 1.00 0.00 O ATOM 2053 CB GLN A 128 8.410 -9.540 9.193 1.00 0.00 C ATOM 2054 CG GLN A 128 7.290 -8.635 9.730 1.00 0.00 C ATOM 2055 CD GLN A 128 7.741 -7.221 10.090 1.00 0.00 C ATOM 2056 OE1 GLN A 128 7.144 -6.243 9.654 1.00 0.00 O ATOM 2057 NE2 GLN A 128 8.794 -7.092 10.891 1.00 0.00 N ATOM 0 H GLN A 128 9.600 -11.098 7.731 1.00 0.00 H new ATOM 0 HA GLN A 128 8.075 -8.875 7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 128 8.042 -10.564 9.137 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.238 -9.537 9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 128 6.500 -8.572 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 128 6.855 -9.101 10.614 1.00 0.00 H new ATOM 0 HE21 GLN A 128 9.274 -7.922 11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 128 9.122 -6.163 11.156 1.00 0.00 H new ATOM 2066 N GLY A 129 10.997 -7.976 8.462 1.00 0.00 N ATOM 2067 CA GLY A 129 11.924 -6.863 8.581 1.00 0.00 C ATOM 2068 C GLY A 129 12.290 -6.292 7.213 1.00 0.00 C ATOM 2069 O GLY A 129 12.230 -5.079 7.007 1.00 0.00 O ATOM 0 H GLY A 129 11.343 -8.847 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.478 -6.081 9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.828 -7.194 9.092 1.00 0.00 H new ATOM 2073 N ALA A 130 12.696 -7.163 6.287 1.00 0.00 N ATOM 2074 CA ALA A 130 13.081 -6.763 4.943 1.00 0.00 C ATOM 2075 C ALA A 130 11.942 -6.020 4.232 1.00 0.00 C ATOM 2076 O ALA A 130 12.165 -4.980 3.610 1.00 0.00 O ATOM 2077 CB ALA A 130 13.537 -8.005 4.173 1.00 0.00 C ATOM 0 H ALA A 130 12.765 -8.167 6.454 1.00 0.00 H new ATOM 0 HA ALA A 130 13.911 -6.058 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 130 13.829 -7.720 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 130 14.388 -8.457 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 130 12.719 -8.724 4.125 1.00 0.00 H new ATOM 2083 N MET A 131 10.733 -6.577 4.287 1.00 0.00 N ATOM 2084 CA MET A 131 9.544 -5.990 3.710 1.00 0.00 C ATOM 2085 C MET A 131 9.258 -4.635 4.344 1.00 0.00 C ATOM 2086 O MET A 131 9.082 -3.653 3.625 1.00 0.00 O ATOM 2087 CB MET A 131 8.373 -6.974 3.852 1.00 0.00 C ATOM 2088 CG MET A 131 7.125 -6.523 3.083 1.00 0.00 C ATOM 2089 SD MET A 131 7.299 -6.289 1.294 1.00 0.00 S ATOM 2090 CE MET A 131 7.807 -7.949 0.801 1.00 0.00 C ATOM 0 H MET A 131 10.558 -7.470 4.747 1.00 0.00 H new ATOM 0 HA MET A 131 9.694 -5.806 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.682 -7.955 3.491 1.00 0.00 H new ATOM 0 HB3 MET A 131 8.124 -7.086 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.338 -7.258 3.253 1.00 0.00 H new ATOM 0 HG3 MET A 131 6.782 -5.583 3.516 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.854 -8.007 -0.286 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.790 -8.168 1.219 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.085 -8.676 1.172 1.00 0.00 H new ATOM 2100 N ASN A 132 9.198 -4.576 5.678 1.00 0.00 N ATOM 2101 CA ASN A 132 8.949 -3.319 6.372 1.00 0.00 C ATOM 2102 C ASN A 132 9.952 -2.266 5.911 1.00 0.00 C ATOM 2103 O ASN A 132 9.552 -1.170 5.525 1.00 0.00 O ATOM 2104 CB ASN A 132 9.007 -3.468 7.900 1.00 0.00 C ATOM 2105 CG ASN A 132 8.993 -2.077 8.539 1.00 0.00 C ATOM 2106 OD1 ASN A 132 7.940 -1.470 8.696 1.00 0.00 O ATOM 2107 ND2 ASN A 132 10.165 -1.535 8.862 1.00 0.00 N ATOM 0 H ASN A 132 9.318 -5.382 6.292 1.00 0.00 H new ATOM 0 HA ASN A 132 7.937 -3.004 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.158 -4.053 8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 132 9.909 -4.007 8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 132 10.201 -0.593 9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 132 11.027 -2.062 8.721 1.00 0.00 H new ATOM 2114 N LYS A 133 11.248 -2.577 5.981 1.00 0.00 N ATOM 2115 CA LYS A 133 12.288 -1.657 5.550 1.00 0.00 C ATOM 2116 C LYS A 133 12.048 -1.221 4.101 1.00 0.00 C ATOM 2117 O LYS A 133 12.035 -0.023 3.812 1.00 0.00 O ATOM 2118 CB LYS A 133 13.660 -2.301 5.767 1.00 0.00 C ATOM 2119 CG LYS A 133 14.053 -2.286 7.251 1.00 0.00 C ATOM 2120 CD LYS A 133 15.463 -2.852 7.488 1.00 0.00 C ATOM 2121 CE LYS A 133 15.519 -4.369 7.281 1.00 0.00 C ATOM 2122 NZ LYS A 133 16.853 -4.907 7.597 1.00 0.00 N ATOM 0 H LYS A 133 11.598 -3.467 6.336 1.00 0.00 H new ATOM 0 HA LYS A 133 12.259 -0.748 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 133 13.644 -3.328 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 133 14.411 -1.768 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 133 14.007 -1.264 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.330 -2.868 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 133 16.166 -2.368 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.783 -2.613 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.772 -4.851 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.265 -4.606 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 16.862 -5.933 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 17.564 -4.451 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 17.077 -4.717 8.595 1.00 0.00 H new ATOM 2136 N ALA A 134 11.795 -2.169 3.197 1.00 0.00 N ATOM 2137 CA ALA A 134 11.488 -1.843 1.811 1.00 0.00 C ATOM 2138 C ALA A 134 10.310 -0.863 1.708 1.00 0.00 C ATOM 2139 O ALA A 134 10.379 0.122 0.976 1.00 0.00 O ATOM 2140 CB ALA A 134 11.253 -3.131 1.028 1.00 0.00 C ATOM 0 H ALA A 134 11.798 -3.168 3.404 1.00 0.00 H new ATOM 0 HA ALA A 134 12.339 -1.328 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 134 11.023 -2.889 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 134 12.150 -3.749 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.418 -3.676 1.467 1.00 0.00 H new ATOM 2146 N LEU A 135 9.223 -1.099 2.447 1.00 0.00 N ATOM 2147 CA LEU A 135 8.108 -0.157 2.466 1.00 0.00 C ATOM 2148 C LEU A 135 8.524 1.154 3.137 1.00 0.00 C ATOM 2149 O LEU A 135 8.024 2.221 2.792 1.00 0.00 O ATOM 2150 CB LEU A 135 6.868 -0.731 3.174 1.00 0.00 C ATOM 2151 CG LEU A 135 5.932 -1.441 2.186 1.00 0.00 C ATOM 2152 CD1 LEU A 135 6.463 -2.822 1.795 1.00 0.00 C ATOM 2153 CD2 LEU A 135 4.542 -1.583 2.804 1.00 0.00 C ATOM 0 H LEU A 135 9.094 -1.924 3.032 1.00 0.00 H new ATOM 0 HA LEU A 135 7.838 0.033 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.182 -1.432 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.328 0.074 3.673 1.00 0.00 H new ATOM 0 HG LEU A 135 5.879 -0.834 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.773 -3.292 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.441 -2.716 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 135 6.554 -3.442 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.880 -2.087 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.610 -2.168 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.143 -0.595 3.033 1.00 0.00 H new ATOM 2165 N GLU A 136 9.462 1.097 4.079 1.00 0.00 N ATOM 2166 CA GLU A 136 9.921 2.252 4.830 1.00 0.00 C ATOM 2167 C GLU A 136 10.574 3.222 3.850 1.00 0.00 C ATOM 2168 O GLU A 136 10.377 4.425 3.970 1.00 0.00 O ATOM 2169 CB GLU A 136 10.834 1.826 5.988 1.00 0.00 C ATOM 2170 CG GLU A 136 10.745 2.782 7.183 1.00 0.00 C ATOM 2171 CD GLU A 136 11.441 2.187 8.405 1.00 0.00 C ATOM 2172 OE1 GLU A 136 10.876 1.221 8.966 1.00 0.00 O ATOM 2173 OE2 GLU A 136 12.530 2.697 8.746 1.00 0.00 O ATOM 0 H GLU A 136 9.930 0.230 4.343 1.00 0.00 H new ATOM 0 HA GLU A 136 9.088 2.767 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.563 0.820 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.865 1.782 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 136 11.204 3.737 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.700 2.984 7.416 1.00 0.00 H new ATOM 2180 N LEU A 137 11.294 2.708 2.842 1.00 0.00 N ATOM 2181 CA LEU A 137 11.830 3.556 1.782 1.00 0.00 C ATOM 2182 C LEU A 137 10.678 4.307 1.107 1.00 0.00 C ATOM 2183 O LEU A 137 10.716 5.529 0.978 1.00 0.00 O ATOM 2184 CB LEU A 137 12.563 2.746 0.700 1.00 0.00 C ATOM 2185 CG LEU A 137 13.806 1.970 1.160 1.00 0.00 C ATOM 2186 CD1 LEU A 137 14.237 1.028 0.028 1.00 0.00 C ATOM 2187 CD2 LEU A 137 14.960 2.927 1.485 1.00 0.00 C ATOM 0 H LEU A 137 11.514 1.717 2.744 1.00 0.00 H new ATOM 0 HA LEU A 137 12.541 4.240 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 137 11.858 2.037 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 137 12.860 3.428 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 137 13.562 1.408 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 137 15.120 0.468 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 137 13.427 0.334 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 137 14.471 1.612 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 137 15.828 2.353 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 137 15.216 3.503 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 137 14.656 3.606 2.282 1.00 0.00 H new ATOM 2199 N PHE A 138 9.610 3.585 0.740 1.00 0.00 N ATOM 2200 CA PHE A 138 8.482 4.179 0.036 1.00 0.00 C ATOM 2201 C PHE A 138 7.896 5.297 0.907 1.00 0.00 C ATOM 2202 O PHE A 138 7.894 6.470 0.529 1.00 0.00 O ATOM 2203 CB PHE A 138 7.478 3.066 -0.316 1.00 0.00 C ATOM 2204 CG PHE A 138 6.103 3.543 -0.720 1.00 0.00 C ATOM 2205 CD1 PHE A 138 5.861 3.970 -2.034 1.00 0.00 C ATOM 2206 CD2 PHE A 138 5.121 3.721 0.267 1.00 0.00 C ATOM 2207 CE1 PHE A 138 4.619 4.527 -2.380 1.00 0.00 C ATOM 2208 CE2 PHE A 138 3.908 4.358 -0.055 1.00 0.00 C ATOM 2209 CZ PHE A 138 3.640 4.729 -1.388 1.00 0.00 C ATOM 0 H PHE A 138 9.511 2.586 0.923 1.00 0.00 H new ATOM 0 HA PHE A 138 8.779 4.639 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 138 7.892 2.470 -1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 138 7.377 2.405 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 138 6.633 3.870 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 138 5.296 3.369 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 138 4.415 4.800 -3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 138 3.183 4.562 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 138 2.687 5.167 -1.648 1.00 0.00 H new ATOM 2219 N ARG A 139 7.535 4.944 2.146 1.00 0.00 N ATOM 2220 CA ARG A 139 6.957 5.877 3.100 1.00 0.00 C ATOM 2221 C ARG A 139 7.870 7.092 3.298 1.00 0.00 C ATOM 2222 O ARG A 139 7.416 8.231 3.269 1.00 0.00 O ATOM 2223 CB ARG A 139 6.722 5.153 4.436 1.00 0.00 C ATOM 2224 CG ARG A 139 5.604 4.105 4.351 1.00 0.00 C ATOM 2225 CD ARG A 139 5.515 3.296 5.651 1.00 0.00 C ATOM 2226 NE ARG A 139 6.478 2.188 5.671 1.00 0.00 N ATOM 2227 CZ ARG A 139 6.628 1.330 6.694 1.00 0.00 C ATOM 2228 NH1 ARG A 139 5.908 1.468 7.811 1.00 0.00 N ATOM 2229 NH2 ARG A 139 7.488 0.311 6.617 1.00 0.00 N ATOM 0 H ARG A 139 7.639 3.997 2.510 1.00 0.00 H new ATOM 0 HA ARG A 139 6.005 6.239 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 139 7.646 4.668 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 139 6.470 5.886 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 139 4.651 4.598 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 139 5.791 3.434 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 139 5.699 3.953 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 139 4.505 2.902 5.765 1.00 0.00 H new ATOM 0 HE ARG A 139 7.074 2.061 4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 139 5.236 2.231 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 139 6.030 0.811 8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 139 8.043 0.175 5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 139 7.590 -0.331 7.403 1.00 0.00 H new ATOM 2243 N LYS A 140 9.171 6.859 3.471 1.00 0.00 N ATOM 2244 CA LYS A 140 10.153 7.911 3.668 1.00 0.00 C ATOM 2245 C LYS A 140 10.230 8.833 2.454 1.00 0.00 C ATOM 2246 O LYS A 140 10.322 10.050 2.631 1.00 0.00 O ATOM 2247 CB LYS A 140 11.520 7.290 4.004 1.00 0.00 C ATOM 2248 CG LYS A 140 12.687 8.274 4.209 1.00 0.00 C ATOM 2249 CD LYS A 140 12.821 8.858 5.628 1.00 0.00 C ATOM 2250 CE LYS A 140 11.733 9.854 6.051 1.00 0.00 C ATOM 2251 NZ LYS A 140 11.547 10.933 5.065 1.00 0.00 N ATOM 0 H LYS A 140 9.572 5.921 3.477 1.00 0.00 H new ATOM 0 HA LYS A 140 9.842 8.530 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 140 11.411 6.695 4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.789 6.603 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 140 13.617 7.765 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 140 12.572 9.098 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 140 12.827 8.033 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 140 13.789 9.353 5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 140 10.791 9.323 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 140 11.996 10.288 7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 10.944 11.676 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 12.472 11.337 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 11.094 10.549 4.211 1.00 0.00 H new ATOM 2265 N ASP A 141 10.172 8.292 1.228 1.00 0.00 N ATOM 2266 CA ASP A 141 10.256 9.138 0.053 1.00 0.00 C ATOM 2267 C ASP A 141 9.050 10.057 0.073 1.00 0.00 C ATOM 2268 O ASP A 141 9.175 11.277 0.030 1.00 0.00 O ATOM 2269 CB ASP A 141 10.304 8.309 -1.239 1.00 0.00 C ATOM 2270 CG ASP A 141 10.454 9.227 -2.451 1.00 0.00 C ATOM 2271 OD1 ASP A 141 9.422 9.792 -2.871 1.00 0.00 O ATOM 2272 OD2 ASP A 141 11.602 9.358 -2.927 1.00 0.00 O ATOM 0 H ASP A 141 10.070 7.295 1.037 1.00 0.00 H new ATOM 0 HA ASP A 141 11.178 9.718 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.138 7.608 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 141 9.394 7.716 -1.333 1.00 0.00 H new ATOM 2277 N ILE A 142 7.872 9.451 0.172 1.00 0.00 N ATOM 2278 CA ILE A 142 6.626 10.191 0.174 1.00 0.00 C ATOM 2279 C ILE A 142 6.567 11.203 1.320 1.00 0.00 C ATOM 2280 O ILE A 142 6.137 12.332 1.117 1.00 0.00 O ATOM 2281 CB ILE A 142 5.455 9.206 0.094 1.00 0.00 C ATOM 2282 CG1 ILE A 142 5.655 8.427 -1.216 1.00 0.00 C ATOM 2283 CG2 ILE A 142 4.137 9.978 0.181 1.00 0.00 C ATOM 2284 CD1 ILE A 142 4.346 7.839 -1.740 1.00 0.00 C ATOM 0 H ILE A 142 7.759 8.440 0.252 1.00 0.00 H new ATOM 0 HA ILE A 142 6.553 10.819 -0.714 1.00 0.00 H new ATOM 0 HB ILE A 142 5.419 8.495 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 142 6.082 9.089 -1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 142 6.374 7.624 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.302 9.280 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.094 10.519 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 142 4.075 10.686 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 142 4.536 7.297 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 142 3.932 7.156 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 142 3.635 8.644 -1.929 1.00 0.00 H new ATOM 2296 N ALA A 143 7.041 10.845 2.507 1.00 0.00 N ATOM 2297 CA ALA A 143 7.095 11.744 3.649 1.00 0.00 C ATOM 2298 C ALA A 143 7.971 12.953 3.306 1.00 0.00 C ATOM 2299 O ALA A 143 7.592 14.095 3.564 1.00 0.00 O ATOM 2300 CB ALA A 143 7.610 11.005 4.886 1.00 0.00 C ATOM 0 H ALA A 143 7.402 9.912 2.704 1.00 0.00 H new ATOM 0 HA ALA A 143 6.092 12.103 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 143 7.645 11.692 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 143 6.942 10.176 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 143 8.611 10.621 4.690 1.00 0.00 H new ATOM 2306 N ALA A 144 9.143 12.715 2.711 1.00 0.00 N ATOM 2307 CA ALA A 144 10.004 13.806 2.276 1.00 0.00 C ATOM 2308 C ALA A 144 9.285 14.671 1.235 1.00 0.00 C ATOM 2309 O ALA A 144 9.329 15.901 1.311 1.00 0.00 O ATOM 2310 CB ALA A 144 11.319 13.245 1.734 1.00 0.00 C ATOM 0 H ALA A 144 9.511 11.782 2.523 1.00 0.00 H new ATOM 0 HA ALA A 144 10.236 14.445 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 144 11.959 14.066 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 144 11.823 12.679 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 144 11.114 12.590 0.888 1.00 0.00 H new ATOM 2316 N LYS A 145 8.628 14.038 0.260 1.00 0.00 N ATOM 2317 CA LYS A 145 7.864 14.773 -0.739 1.00 0.00 C ATOM 2318 C LYS A 145 6.793 15.626 -0.057 1.00 0.00 C ATOM 2319 O LYS A 145 6.695 16.817 -0.329 1.00 0.00 O ATOM 2320 CB LYS A 145 7.265 13.829 -1.786 1.00 0.00 C ATOM 2321 CG LYS A 145 8.311 13.070 -2.616 1.00 0.00 C ATOM 2322 CD LYS A 145 9.085 13.988 -3.571 1.00 0.00 C ATOM 2323 CE LYS A 145 10.035 13.179 -4.466 1.00 0.00 C ATOM 2324 NZ LYS A 145 11.060 12.467 -3.683 1.00 0.00 N ATOM 0 H LYS A 145 8.612 13.025 0.145 1.00 0.00 H new ATOM 0 HA LYS A 145 8.538 15.443 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 145 6.622 13.107 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 145 6.631 14.406 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 145 9.013 12.575 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 145 7.815 12.288 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 145 8.384 14.547 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 145 9.655 14.718 -2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 145 9.459 12.460 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 145 10.521 13.848 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 11.710 11.975 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 11.594 13.150 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 10.601 11.773 -3.059 1.00 0.00 H new ATOM 2338 N TYR A 146 6.082 15.066 0.923 1.00 0.00 N ATOM 2339 CA TYR A 146 5.046 15.762 1.665 1.00 0.00 C ATOM 2340 C TYR A 146 5.644 17.002 2.331 1.00 0.00 C ATOM 2341 O TYR A 146 5.098 18.095 2.213 1.00 0.00 O ATOM 2342 CB TYR A 146 4.460 14.833 2.731 1.00 0.00 C ATOM 2343 CG TYR A 146 3.346 13.892 2.316 1.00 0.00 C ATOM 2344 CD1 TYR A 146 3.214 13.412 0.996 1.00 0.00 C ATOM 2345 CD2 TYR A 146 2.423 13.485 3.294 1.00 0.00 C ATOM 2346 CE1 TYR A 146 2.164 12.536 0.673 1.00 0.00 C ATOM 2347 CE2 TYR A 146 1.395 12.587 2.978 1.00 0.00 C ATOM 2348 CZ TYR A 146 1.258 12.118 1.658 1.00 0.00 C ATOM 2349 OH TYR A 146 0.283 11.227 1.331 1.00 0.00 O ATOM 0 H TYR A 146 6.217 14.101 1.223 1.00 0.00 H new ATOM 0 HA TYR A 146 4.252 16.065 0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 146 5.274 14.231 3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 146 4.088 15.453 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.918 13.717 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 146 2.507 13.868 4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.054 12.182 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 146 0.710 12.256 3.745 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.357 11.157 2.070 1.00 0.00 H new ATOM 2359 N LYS A 147 6.793 16.855 2.997 1.00 0.00 N ATOM 2360 CA LYS A 147 7.457 17.989 3.630 1.00 0.00 C ATOM 2361 C LYS A 147 7.798 19.062 2.589 1.00 0.00 C ATOM 2362 O LYS A 147 7.537 20.240 2.816 1.00 0.00 O ATOM 2363 CB LYS A 147 8.707 17.524 4.385 1.00 0.00 C ATOM 2364 CG LYS A 147 8.331 16.692 5.617 1.00 0.00 C ATOM 2365 CD LYS A 147 9.556 16.101 6.332 1.00 0.00 C ATOM 2366 CE LYS A 147 10.535 17.160 6.858 1.00 0.00 C ATOM 2367 NZ LYS A 147 9.877 18.116 7.766 1.00 0.00 N ATOM 0 H LYS A 147 7.278 15.965 3.109 1.00 0.00 H new ATOM 0 HA LYS A 147 6.776 18.434 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.337 16.932 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.293 18.390 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 147 7.774 17.317 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 147 7.667 15.882 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 147 9.217 15.486 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 147 10.084 15.441 5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 147 11.355 16.668 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.972 17.700 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 10.590 18.751 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 9.180 18.676 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 9.395 17.596 8.527 1.00 0.00 H new ATOM 2381 N GLU A 148 8.359 18.657 1.446 1.00 0.00 N ATOM 2382 CA GLU A 148 8.681 19.580 0.364 1.00 0.00 C ATOM 2383 C GLU A 148 7.430 20.315 -0.141 1.00 0.00 C ATOM 2384 O GLU A 148 7.457 21.530 -0.328 1.00 0.00 O ATOM 2385 CB GLU A 148 9.372 18.814 -0.770 1.00 0.00 C ATOM 2386 CG GLU A 148 10.760 18.299 -0.363 1.00 0.00 C ATOM 2387 CD GLU A 148 11.268 17.244 -1.343 1.00 0.00 C ATOM 2388 OE1 GLU A 148 11.413 17.599 -2.532 1.00 0.00 O ATOM 2389 OE2 GLU A 148 11.496 16.099 -0.894 1.00 0.00 O ATOM 0 H GLU A 148 8.600 17.686 1.249 1.00 0.00 H new ATOM 0 HA GLU A 148 9.362 20.342 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 148 8.748 17.972 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 148 9.469 19.465 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 148 11.463 19.131 -0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 148 10.713 17.875 0.640 1.00 0.00 H new ATOM 2396 N LEU A 149 6.337 19.585 -0.368 1.00 0.00 N ATOM 2397 CA LEU A 149 5.075 20.151 -0.830 1.00 0.00 C ATOM 2398 C LEU A 149 4.413 21.007 0.254 1.00 0.00 C ATOM 2399 O LEU A 149 3.663 21.925 -0.066 1.00 0.00 O ATOM 2400 CB LEU A 149 4.131 19.032 -1.307 1.00 0.00 C ATOM 2401 CG LEU A 149 4.679 18.225 -2.500 1.00 0.00 C ATOM 2402 CD1 LEU A 149 3.804 16.983 -2.712 1.00 0.00 C ATOM 2403 CD2 LEU A 149 4.709 19.053 -3.791 1.00 0.00 C ATOM 0 H LEU A 149 6.306 18.574 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 149 5.287 20.807 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 149 3.940 18.352 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 149 3.173 19.471 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 149 5.704 17.938 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.187 16.408 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 149 3.823 16.366 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 149 2.779 17.291 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 149 5.102 18.444 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.699 19.379 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 149 5.347 19.925 -3.649 1.00 0.00 H new ATOM 2415 N GLY A 150 4.650 20.678 1.526 1.00 0.00 N ATOM 2416 CA GLY A 150 4.109 21.378 2.679 1.00 0.00 C ATOM 2417 C GLY A 150 2.887 20.660 3.242 1.00 0.00 C ATOM 2418 O GLY A 150 1.830 21.266 3.404 1.00 0.00 O ATOM 0 H GLY A 150 5.244 19.890 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 150 4.874 21.457 3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.837 22.395 2.395 1.00 0.00 H new ATOM 2422 N TYR A 151 3.029 19.368 3.555 1.00 0.00 N ATOM 2423 CA TYR A 151 1.972 18.539 4.122 1.00 0.00 C ATOM 2424 C TYR A 151 2.567 17.628 5.191 1.00 0.00 C ATOM 2425 O TYR A 151 3.742 17.285 5.113 1.00 0.00 O ATOM 2426 CB TYR A 151 1.300 17.693 3.030 1.00 0.00 C ATOM 2427 CG TYR A 151 0.412 18.491 2.099 1.00 0.00 C ATOM 2428 CD1 TYR A 151 0.972 19.144 0.990 1.00 0.00 C ATOM 2429 CD2 TYR A 151 -0.969 18.596 2.348 1.00 0.00 C ATOM 2430 CE1 TYR A 151 0.152 19.870 0.114 1.00 0.00 C ATOM 2431 CE2 TYR A 151 -1.789 19.331 1.473 1.00 0.00 C ATOM 2432 CZ TYR A 151 -1.229 19.951 0.345 1.00 0.00 C ATOM 2433 OH TYR A 151 -2.020 20.635 -0.530 1.00 0.00 O ATOM 0 H TYR A 151 3.904 18.862 3.416 1.00 0.00 H new ATOM 0 HA TYR A 151 1.216 19.186 4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 151 2.072 17.195 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 151 0.705 16.912 3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 151 2.036 19.087 0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 151 -1.400 18.112 3.212 1.00 0.00 H new ATOM 0 HE1 TYR A 151 0.585 20.368 -0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 151 -2.848 19.418 1.669 1.00 0.00 H new ATOM 0 HH TYR A 151 -2.952 20.596 -0.228 1.00 0.00 H new ATOM 2443 N GLN A 152 1.721 17.244 6.157 1.00 0.00 N ATOM 2444 CA GLN A 152 1.928 16.364 7.310 1.00 0.00 C ATOM 2445 C GLN A 152 3.351 15.809 7.466 1.00 0.00 C ATOM 2446 O GLN A 152 4.040 16.119 8.433 1.00 0.00 O ATOM 2447 CB GLN A 152 0.904 15.210 7.285 1.00 0.00 C ATOM 2448 CG GLN A 152 -0.567 15.656 7.334 1.00 0.00 C ATOM 2449 CD GLN A 152 -1.076 16.170 5.988 1.00 0.00 C ATOM 2450 OE1 GLN A 152 -1.027 17.368 5.728 1.00 0.00 O ATOM 2451 NE2 GLN A 152 -1.545 15.284 5.114 1.00 0.00 N ATOM 0 H GLN A 152 0.760 17.586 6.144 1.00 0.00 H new ATOM 0 HA GLN A 152 1.776 16.998 8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 152 1.061 14.622 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 152 1.098 14.551 8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 152 -1.185 14.818 7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 152 -0.679 16.440 8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 152 -1.574 14.294 5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 152 -1.876 15.595 4.200 1.00 0.00 H new ATOM 2460 N GLY A 153 3.775 14.937 6.549 1.00 0.00 N ATOM 2461 CA GLY A 153 5.103 14.346 6.568 1.00 0.00 C ATOM 2462 C GLY A 153 5.398 13.657 7.897 1.00 0.00 C ATOM 2463 O GLY A 153 5.774 12.487 7.918 1.00 0.00 O ATOM 0 H GLY A 153 3.198 14.623 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 153 5.191 13.623 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.848 15.121 6.387 1.00 0.00 H new TER 2467 GLY A 153 HETATM 2468 FE HEM A 154 -3.701 5.683 -3.090 1.00 0.00 FE HETATM 2469 CHA HEM A 154 -5.362 6.805 -5.866 1.00 0.00 C HETATM 2470 CHB HEM A 154 -1.297 4.221 -5.096 1.00 0.00 C HETATM 2471 CHC HEM A 154 -2.073 4.515 -0.329 1.00 0.00 C HETATM 2472 CHD HEM A 154 -6.263 6.807 -1.112 1.00 0.00 C HETATM 2473 NA HEM A 154 -3.430 5.481 -5.084 1.00 0.00 N HETATM 2474 C1A HEM A 154 -4.174 6.098 -6.077 1.00 0.00 C HETATM 2475 C2A HEM A 154 -3.538 5.901 -7.369 1.00 0.00 C HETATM 2476 C3A HEM A 154 -2.421 5.155 -7.149 1.00 0.00 C HETATM 2477 C4A HEM A 154 -2.348 4.894 -5.727 1.00 0.00 C HETATM 2478 CMA HEM A 154 -1.382 4.711 -8.146 1.00 0.00 C HETATM 2479 CAA HEM A 154 -4.030 6.472 -8.681 1.00 0.00 C HETATM 2480 CBA HEM A 154 -3.498 7.875 -9.003 1.00 0.00 C HETATM 2481 CGA HEM A 154 -4.037 8.932 -8.047 1.00 0.00 C HETATM 2482 O1A HEM A 154 -5.210 9.324 -8.221 1.00 0.00 O HETATM 2483 O2A HEM A 154 -3.366 9.157 -7.020 1.00 0.00 O HETATM 2484 NB HEM A 154 -2.000 4.616 -2.775 1.00 0.00 N HETATM 2485 C1B HEM A 154 -1.132 4.091 -3.718 1.00 0.00 C HETATM 2486 C2B HEM A 154 -0.036 3.400 -3.054 1.00 0.00 C HETATM 2487 C3B HEM A 154 -0.302 3.431 -1.723 1.00 0.00 C HETATM 2488 C4B HEM A 154 -1.490 4.234 -1.555 1.00 0.00 C HETATM 2489 CMB HEM A 154 1.148 2.768 -3.733 1.00 0.00 C HETATM 2490 CAB HEM A 154 0.495 2.844 -0.585 1.00 0.00 C HETATM 2491 CBB HEM A 154 0.848 1.552 -0.582 1.00 0.00 C HETATM 2492 NC HEM A 154 -4.041 5.756 -1.096 1.00 0.00 N HETATM 2493 C1C HEM A 154 -3.285 5.158 -0.112 1.00 0.00 C HETATM 2494 C2C HEM A 154 -4.046 5.065 1.115 1.00 0.00 C HETATM 2495 C3C HEM A 154 -5.218 5.726 0.903 1.00 0.00 C HETATM 2496 C4C HEM A 154 -5.202 6.170 -0.472 1.00 0.00 C HETATM 2497 CMC HEM A 154 -3.621 4.262 2.324 1.00 0.00 C HETATM 2498 CAC HEM A 154 -6.417 5.855 1.811 1.00 0.00 C HETATM 2499 CBC HEM A 154 -6.293 5.810 3.141 1.00 0.00 C HETATM 2500 ND HEM A 154 -5.382 6.748 -3.411 1.00 0.00 N HETATM 2501 C1D HEM A 154 -6.314 7.126 -2.463 1.00 0.00 C HETATM 2502 C2D HEM A 154 -7.416 7.815 -3.087 1.00 0.00 C HETATM 2503 C3D HEM A 154 -7.258 7.676 -4.428 1.00 0.00 C HETATM 2504 C4D HEM A 154 -5.962 7.046 -4.632 1.00 0.00 C HETATM 2505 CMD HEM A 154 -8.557 8.466 -2.346 1.00 0.00 C HETATM 2506 CAD HEM A 154 -8.239 8.087 -5.502 1.00 0.00 C HETATM 2507 CBD HEM A 154 -9.249 6.990 -5.868 1.00 0.00 C HETATM 2508 CGD HEM A 154 -10.095 6.537 -4.678 1.00 0.00 C HETATM 2509 O1D HEM A 154 -10.996 7.313 -4.280 1.00 0.00 O HETATM 2510 O2D HEM A 154 -10.043 5.320 -4.406 1.00 0.00 O HETATM 0 HMA1 HEM A 154 -1.856 4.535 -9.111 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -0.914 3.790 -7.798 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -0.623 5.487 -8.251 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 2.012 2.807 -3.069 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 1.372 3.309 -4.652 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 0.920 1.729 -3.970 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 -3.029 3.405 2.002 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 -4.505 3.912 2.858 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 -3.022 4.889 2.985 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -8.928 9.314 -2.922 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -8.208 8.813 -1.373 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -9.360 7.743 -2.207 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.424 1.146 0.250 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.559 0.906 -1.411 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 -7.175 5.906 3.774 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 -5.310 5.678 3.593 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -3.771 8.139 -10.025 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -2.409 7.868 -8.956 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -5.119 6.505 -8.663 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -3.745 5.795 -9.487 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -8.714 6.132 -6.274 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -9.907 7.357 -6.656 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -7.686 8.373 -6.397 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -8.782 8.971 -5.167 1.00 0.00 H new HETATM 0 HHA HEM A 154 -5.860 7.200 -6.739 1.00 0.00 H new HETATM 0 HHB HEM A 154 -0.551 3.764 -5.729 1.00 0.00 H new HETATM 0 HHC HEM A 154 -1.528 4.201 0.549 1.00 0.00 H new HETATM 0 HHD HEM A 154 -7.117 7.075 -0.507 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.789 3.482 0.249 1.00 0.00 H new HETATM 0 HAC HEM A 154 -7.406 5.988 1.372 1.00 0.00 H new HETATM 2541 C CMO A 155 -4.707 4.268 -2.982 1.00 0.00 C HETATM 2542 O CMO A 155 -5.386 3.390 -2.840 1.00 0.00 O