USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 219 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot -53:sc= 0.435 USER MOD Set 1.2: A 115 THR OG1 : rot -160:sc= 0.853 USER MOD Set 2.1: A 87 THR OG1 : rot -121:sc= 0.268 USER MOD Set 2.2: A 94 ASN : amide:sc= 0.697 K(o=0.96,f=-2.1!) USER MOD Set 3.1: A 56 SER OG : rot 31:sc= -0.271 USER MOD Set 3.2: A 60 MET CE :methyl -173:sc= -2.02 (180deg=-2.02) USER MOD Set 4.1: A 47 GLN : amide:sc= 0.208 K(o=-0.73,f=-5!) USER MOD Set 4.2: A 78 MET CE :methyl -112:sc= -0.938 (180deg=-2.87!) USER MOD Single : A 1 ARG N :NH3+ -164:sc= -0.0677 (180deg=-0.177) USER MOD Single : A 2 SER OG : rot 178:sc= -0.555 USER MOD Single : A 4 LYS NZ :NH3+ -128:sc= -0.461 (180deg=-2.36!) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00647) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 109:sc= 1.3 USER MOD Single : A 17 MET CE :methyl -123:sc= -2.05 (180deg=-4.57!) USER MOD Single : A 23 ASN : amide:sc= 0.00747 X(o=0.0075,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc=-0.00138 X(o=-0.0014,f=-0.0014) USER MOD Single : A 44 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.03) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00808) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.797 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc=-0.00515 X(o=-0.0051,f=0) USER MOD Single : A 63 MET CE :methyl -176:sc= -0.0375 (180deg=-0.061) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 7:sc= 0.00884 USER MOD Single : A 79 SER OG : rot 73:sc= 0.0139 USER MOD Single : A 85 MET CE :methyl -177:sc= -1.01 (180deg=-1.03) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.88) USER MOD Single : A 104 SER OG : rot -120:sc= 0.512 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 166:sc= 0.316 (180deg=0.187) USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 0.192 (180deg=0.186) USER MOD Single : A 121 ASN : amide:sc= 0.646 K(o=0.65,f=-0.18) USER MOD Single : A 122 LYS NZ :NH3+ 166:sc= -0.0135 (180deg=-0.234) USER MOD Single : A 126 LYS NZ :NH3+ 178:sc= 0.342 (180deg=0.342) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -13.108 0.363 -15.727 1.00 0.00 N ATOM 2 CA ARG A 1 -13.292 -0.687 -14.695 1.00 0.00 C ATOM 3 C ARG A 1 -13.531 -0.171 -13.261 1.00 0.00 C ATOM 4 O ARG A 1 -12.642 0.348 -12.579 1.00 0.00 O ATOM 5 CB ARG A 1 -12.124 -1.668 -14.659 1.00 0.00 C ATOM 6 CG ARG A 1 -12.046 -2.514 -15.938 1.00 0.00 C ATOM 7 CD ARG A 1 -10.618 -2.534 -16.496 1.00 0.00 C ATOM 8 NE ARG A 1 -10.228 -1.143 -16.801 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.058 -0.717 -17.263 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.009 -1.519 -17.409 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.887 0.582 -17.472 1.00 0.00 N ATOM 0 H1 ARG A 1 -13.225 -0.055 -16.672 1.00 0.00 H new ATOM 0 H2 ARG A 1 -13.816 1.113 -15.590 1.00 0.00 H new ATOM 0 H3 ARG A 1 -12.154 0.768 -15.644 1.00 0.00 H new ATOM 0 HA ARG A 1 -14.207 -1.184 -15.016 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -11.192 -1.118 -14.530 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -12.228 -2.325 -13.795 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -12.372 -3.532 -15.725 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -12.728 -2.111 -16.687 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -9.932 -2.972 -15.771 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -10.568 -3.149 -17.394 1.00 0.00 H new ATOM 0 HE ARG A 1 -10.937 -0.428 -16.638 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.083 -2.506 -17.162 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -7.129 -1.148 -17.768 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.647 1.234 -17.278 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.996 0.929 -17.826 1.00 0.00 H new ATOM 20 N SER A 2 -14.740 -0.479 -12.797 1.00 0.00 N ATOM 21 CA SER A 2 -15.189 -0.151 -11.434 1.00 0.00 C ATOM 22 C SER A 2 -14.697 -1.308 -10.546 1.00 0.00 C ATOM 23 O SER A 2 -15.373 -2.298 -10.284 1.00 0.00 O ATOM 24 CB SER A 2 -16.707 -0.009 -11.369 1.00 0.00 C ATOM 25 OG SER A 2 -17.073 0.402 -10.057 1.00 0.00 O ATOM 0 H SER A 2 -15.443 -0.965 -13.353 1.00 0.00 H new ATOM 0 HA SER A 2 -14.787 0.806 -11.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.050 0.721 -12.103 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.186 -0.957 -11.615 1.00 0.00 H new ATOM 0 HG SER A 2 -18.044 0.529 -10.013 1.00 0.00 H new ATOM 28 N ASP A 3 -13.389 -1.250 -10.372 1.00 0.00 N ATOM 29 CA ASP A 3 -12.567 -2.221 -9.620 1.00 0.00 C ATOM 30 C ASP A 3 -12.747 -2.189 -8.082 1.00 0.00 C ATOM 31 O ASP A 3 -11.843 -2.477 -7.319 1.00 0.00 O ATOM 32 CB ASP A 3 -11.161 -2.012 -10.212 1.00 0.00 C ATOM 33 CG ASP A 3 -9.942 -2.061 -9.293 1.00 0.00 C ATOM 34 OD1 ASP A 3 -9.664 -0.992 -8.709 1.00 0.00 O ATOM 35 OD2 ASP A 3 -9.268 -3.115 -9.310 1.00 0.00 O ATOM 0 H ASP A 3 -12.830 -0.493 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.874 -3.259 -9.747 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.017 -2.766 -10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.157 -1.042 -10.708 1.00 0.00 H new ATOM 37 N LYS A 4 -14.021 -2.131 -7.693 1.00 0.00 N ATOM 38 CA LYS A 4 -14.474 -2.129 -6.288 1.00 0.00 C ATOM 39 C LYS A 4 -14.150 -3.425 -5.503 1.00 0.00 C ATOM 40 O LYS A 4 -13.791 -3.401 -4.333 1.00 0.00 O ATOM 41 CB LYS A 4 -15.957 -1.734 -6.161 1.00 0.00 C ATOM 42 CG LYS A 4 -16.878 -2.179 -7.297 1.00 0.00 C ATOM 43 CD LYS A 4 -18.338 -1.711 -7.159 1.00 0.00 C ATOM 44 CE LYS A 4 -18.557 -0.189 -7.157 1.00 0.00 C ATOM 45 NZ LYS A 4 -18.289 0.374 -5.828 1.00 0.00 N ATOM 0 H LYS A 4 -14.792 -2.083 -8.359 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.878 -1.355 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.342 -2.146 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.016 -0.649 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.478 -1.805 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.863 -3.267 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.916 -2.141 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.744 -2.118 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.903 0.278 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.582 0.036 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.099 0.951 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.141 -0.398 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.436 0.968 -5.868 1.00 0.00 H new ATOM 50 N GLU A 5 -14.055 -4.506 -6.276 1.00 0.00 N ATOM 51 CA GLU A 5 -13.733 -5.870 -5.801 1.00 0.00 C ATOM 52 C GLU A 5 -12.195 -6.086 -5.685 1.00 0.00 C ATOM 53 O GLU A 5 -11.731 -7.225 -5.610 1.00 0.00 O ATOM 54 CB GLU A 5 -14.405 -6.792 -6.815 1.00 0.00 C ATOM 55 CG GLU A 5 -14.642 -8.244 -6.353 1.00 0.00 C ATOM 56 CD GLU A 5 -13.535 -9.222 -6.749 1.00 0.00 C ATOM 57 OE1 GLU A 5 -13.080 -9.154 -7.922 1.00 0.00 O ATOM 58 OE2 GLU A 5 -13.257 -10.113 -5.909 1.00 0.00 O ATOM 0 H GLU A 5 -14.203 -4.465 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.098 -6.068 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.366 -6.358 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.794 -6.814 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.748 -8.254 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.586 -8.595 -6.769 1.00 0.00 H new ATOM 60 N LEU A 6 -11.464 -4.999 -5.455 1.00 0.00 N ATOM 61 CA LEU A 6 -9.983 -4.993 -5.335 1.00 0.00 C ATOM 62 C LEU A 6 -9.571 -5.391 -3.904 1.00 0.00 C ATOM 63 O LEU A 6 -10.110 -4.890 -2.920 1.00 0.00 O ATOM 64 CB LEU A 6 -9.473 -3.577 -5.635 1.00 0.00 C ATOM 65 CG LEU A 6 -8.012 -3.503 -6.121 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.689 -2.092 -6.597 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.997 -3.857 -5.035 1.00 0.00 C ATOM 0 H LEU A 6 -11.878 -4.074 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.554 -5.706 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.116 -3.128 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.572 -2.972 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.931 -4.233 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.655 -2.051 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.353 -1.824 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.828 -1.390 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.988 -3.785 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.101 -3.164 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.176 -4.874 -4.687 1.00 0.00 H new ATOM 69 N LYS A 7 -8.639 -6.344 -3.860 1.00 0.00 N ATOM 70 CA LYS A 7 -8.032 -6.843 -2.609 1.00 0.00 C ATOM 71 C LYS A 7 -6.816 -6.022 -2.172 1.00 0.00 C ATOM 72 O LYS A 7 -5.762 -6.037 -2.809 1.00 0.00 O ATOM 73 CB LYS A 7 -7.660 -8.320 -2.786 1.00 0.00 C ATOM 74 CG LYS A 7 -8.499 -9.208 -1.859 1.00 0.00 C ATOM 75 CD LYS A 7 -9.074 -10.388 -2.646 1.00 0.00 C ATOM 76 CE LYS A 7 -10.125 -11.174 -1.843 1.00 0.00 C ATOM 77 NZ LYS A 7 -9.531 -11.797 -0.650 1.00 0.00 N ATOM 0 H LYS A 7 -8.275 -6.801 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.769 -6.738 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.818 -8.618 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.601 -8.461 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.884 -9.574 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.308 -8.626 -1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.525 -10.021 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.264 -11.059 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.931 -10.505 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.568 -11.944 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.252 -12.361 -0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.744 -12.414 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.176 -11.056 -0.012 1.00 0.00 H new ATOM 82 N PHE A 8 -7.086 -5.170 -1.184 1.00 0.00 N ATOM 83 CA PHE A 8 -6.084 -4.287 -0.553 1.00 0.00 C ATOM 84 C PHE A 8 -5.463 -4.932 0.676 1.00 0.00 C ATOM 85 O PHE A 8 -6.156 -5.526 1.499 1.00 0.00 O ATOM 86 CB PHE A 8 -6.708 -2.991 -0.007 1.00 0.00 C ATOM 87 CG PHE A 8 -7.115 -1.974 -1.064 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.340 -2.178 -1.754 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.279 -0.880 -1.365 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.702 -1.282 -2.784 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.652 0.008 -2.390 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.863 -0.200 -3.100 1.00 0.00 C ATOM 0 H PHE A 8 -8.020 -5.066 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.359 -4.094 -1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.587 -3.250 0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.996 -2.521 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.984 -3.005 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.363 -0.725 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.623 -1.428 -3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.018 0.847 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.143 0.480 -3.891 1.00 0.00 H new ATOM 94 N LEU A 9 -4.144 -4.850 0.754 1.00 0.00 N ATOM 95 CA LEU A 9 -3.459 -5.336 1.946 1.00 0.00 C ATOM 96 C LEU A 9 -2.914 -4.136 2.724 1.00 0.00 C ATOM 97 O LEU A 9 -1.961 -3.470 2.310 1.00 0.00 O ATOM 98 CB LEU A 9 -2.333 -6.306 1.626 1.00 0.00 C ATOM 99 CG LEU A 9 -2.308 -7.490 2.613 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.890 -8.015 2.577 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.619 -7.198 4.084 1.00 0.00 C ATOM 0 H LEU A 9 -3.539 -4.463 0.030 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.182 -5.889 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.453 -6.681 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.378 -5.781 1.662 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.100 -8.164 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.798 -8.861 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.646 -8.336 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.202 -7.227 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.564 -8.123 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.893 -6.485 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.621 -6.778 4.168 1.00 0.00 H new ATOM 103 N VAL A 10 -3.624 -3.844 3.804 1.00 0.00 N ATOM 104 CA VAL A 10 -3.305 -2.742 4.720 1.00 0.00 C ATOM 105 C VAL A 10 -2.190 -3.230 5.661 1.00 0.00 C ATOM 106 O VAL A 10 -2.423 -3.916 6.649 1.00 0.00 O ATOM 107 CB VAL A 10 -4.533 -2.241 5.490 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.167 -1.063 6.392 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.636 -1.758 4.529 1.00 0.00 C ATOM 0 H VAL A 10 -4.453 -4.371 4.079 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.963 -1.878 4.149 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.893 -3.081 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.054 -0.725 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.408 -1.376 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.778 -0.246 5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.493 -1.409 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.253 -0.941 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.943 -2.581 3.884 1.00 0.00 H new ATOM 111 N VAL A 11 -0.989 -2.832 5.278 1.00 0.00 N ATOM 112 CA VAL A 11 0.227 -3.206 6.030 1.00 0.00 C ATOM 113 C VAL A 11 0.659 -2.002 6.886 1.00 0.00 C ATOM 114 O VAL A 11 1.541 -1.215 6.556 1.00 0.00 O ATOM 115 CB VAL A 11 1.364 -3.698 5.105 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.352 -4.502 5.964 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.892 -4.589 3.949 1.00 0.00 C ATOM 0 H VAL A 11 -0.816 -2.252 4.457 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.001 -4.051 6.679 1.00 0.00 H new ATOM 0 HB VAL A 11 1.814 -2.815 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.168 -4.864 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.754 -3.863 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.836 -5.350 6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.750 -4.891 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.400 -5.475 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.190 -4.035 3.326 1.00 0.00 H new ATOM 119 N ASP A 12 -0.065 -1.865 7.997 1.00 0.00 N ATOM 120 CA ASP A 12 0.177 -0.766 8.953 1.00 0.00 C ATOM 121 C ASP A 12 0.343 -1.273 10.396 1.00 0.00 C ATOM 122 O ASP A 12 -0.599 -1.645 11.082 1.00 0.00 O ATOM 123 CB ASP A 12 -0.883 0.327 8.822 1.00 0.00 C ATOM 124 CG ASP A 12 -0.720 1.158 7.546 1.00 0.00 C ATOM 125 OD1 ASP A 12 -1.173 0.681 6.476 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.166 2.271 7.655 1.00 0.00 O ATOM 0 H ASP A 12 -0.822 -2.494 8.263 1.00 0.00 H new ATOM 0 HA ASP A 12 1.132 -0.309 8.692 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.873 -0.130 8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.829 0.985 9.689 1.00 0.00 H new ATOM 128 N ASP A 13 1.612 -1.345 10.758 1.00 0.00 N ATOM 129 CA ASP A 13 2.132 -1.767 12.086 1.00 0.00 C ATOM 130 C ASP A 13 1.243 -1.549 13.321 1.00 0.00 C ATOM 131 O ASP A 13 1.091 -2.459 14.129 1.00 0.00 O ATOM 132 CB ASP A 13 3.504 -1.108 12.295 1.00 0.00 C ATOM 133 CG ASP A 13 3.486 0.431 12.233 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.263 0.948 11.121 1.00 0.00 O ATOM 135 OD2 ASP A 13 3.594 1.034 13.315 1.00 0.00 O ATOM 0 H ASP A 13 2.363 -1.102 10.112 1.00 0.00 H new ATOM 0 HA ASP A 13 2.176 -2.854 12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.898 -1.416 13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.193 -1.482 11.537 1.00 0.00 H new ATOM 137 N PHE A 14 0.587 -0.398 13.380 1.00 0.00 N ATOM 138 CA PHE A 14 -0.286 -0.040 14.503 1.00 0.00 C ATOM 139 C PHE A 14 -1.716 -0.476 14.169 1.00 0.00 C ATOM 140 O PHE A 14 -2.281 -0.055 13.158 1.00 0.00 O ATOM 141 CB PHE A 14 -0.239 1.477 14.706 1.00 0.00 C ATOM 142 CG PHE A 14 -0.564 1.915 16.134 1.00 0.00 C ATOM 143 CD1 PHE A 14 0.150 1.355 17.235 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.476 2.973 16.335 1.00 0.00 C ATOM 145 CE1 PHE A 14 -0.050 1.874 18.532 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.676 3.492 17.632 1.00 0.00 C ATOM 147 CZ PHE A 14 -0.961 2.933 18.719 1.00 0.00 C ATOM 0 H PHE A 14 0.641 0.317 12.654 1.00 0.00 H new ATOM 0 HA PHE A 14 0.044 -0.536 15.416 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.754 1.840 14.441 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.944 1.949 14.021 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.839 0.539 17.077 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.020 3.385 15.498 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.490 1.464 19.373 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.367 4.306 17.794 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.117 3.327 19.713 1.00 0.00 H new ATOM 149 N SER A 15 -2.283 -1.273 15.064 1.00 0.00 N ATOM 150 CA SER A 15 -3.657 -1.806 14.948 1.00 0.00 C ATOM 151 C SER A 15 -4.694 -0.730 14.589 1.00 0.00 C ATOM 152 O SER A 15 -5.308 -0.808 13.528 1.00 0.00 O ATOM 153 CB SER A 15 -4.069 -2.551 16.222 1.00 0.00 C ATOM 154 OG SER A 15 -3.751 -1.751 17.369 1.00 0.00 O ATOM 0 H SER A 15 -1.803 -1.580 15.910 1.00 0.00 H new ATOM 0 HA SER A 15 -3.640 -2.512 14.117 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.137 -2.766 16.201 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.552 -3.509 16.279 1.00 0.00 H new ATOM 0 HG SER A 15 -4.016 -2.227 18.184 1.00 0.00 H new ATOM 157 N THR A 16 -4.676 0.371 15.342 1.00 0.00 N ATOM 158 CA THR A 16 -5.575 1.531 15.111 1.00 0.00 C ATOM 159 C THR A 16 -5.405 2.099 13.699 1.00 0.00 C ATOM 160 O THR A 16 -6.381 2.206 12.963 1.00 0.00 O ATOM 161 CB THR A 16 -5.310 2.663 16.110 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.565 2.174 17.237 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.624 3.289 16.566 1.00 0.00 C ATOM 0 H THR A 16 -4.043 0.496 16.132 1.00 0.00 H new ATOM 0 HA THR A 16 -6.590 1.156 15.242 1.00 0.00 H new ATOM 0 HB THR A 16 -4.717 3.431 15.614 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.649 2.519 17.198 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.418 4.091 17.275 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.153 3.694 15.703 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.241 2.530 17.046 1.00 0.00 H new ATOM 166 N MET A 17 -4.151 2.286 13.263 1.00 0.00 N ATOM 167 CA MET A 17 -3.827 2.816 11.924 1.00 0.00 C ATOM 168 C MET A 17 -4.343 1.888 10.815 1.00 0.00 C ATOM 169 O MET A 17 -5.024 2.347 9.894 1.00 0.00 O ATOM 170 CB MET A 17 -2.308 3.035 11.815 1.00 0.00 C ATOM 171 CG MET A 17 -1.952 4.190 10.875 1.00 0.00 C ATOM 172 SD MET A 17 -2.392 3.899 9.124 1.00 0.00 S ATOM 173 CE MET A 17 -2.290 5.555 8.510 1.00 0.00 C ATOM 0 H MET A 17 -3.328 2.074 13.828 1.00 0.00 H new ATOM 0 HA MET A 17 -4.330 3.774 11.791 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.901 3.237 12.806 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.836 2.120 11.457 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.458 5.092 11.219 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.881 4.380 10.941 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.243 5.836 8.062 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.060 6.234 9.331 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.504 5.616 7.758 1.00 0.00 H new ATOM 175 N ARG A 18 -4.103 0.586 10.978 1.00 0.00 N ATOM 176 CA ARG A 18 -4.574 -0.462 10.040 1.00 0.00 C ATOM 177 C ARG A 18 -6.098 -0.361 9.812 1.00 0.00 C ATOM 178 O ARG A 18 -6.570 -0.171 8.694 1.00 0.00 O ATOM 179 CB ARG A 18 -4.236 -1.834 10.617 1.00 0.00 C ATOM 180 CG ARG A 18 -3.194 -2.557 9.768 1.00 0.00 C ATOM 181 CD ARG A 18 -2.948 -4.013 10.186 1.00 0.00 C ATOM 182 NE ARG A 18 -2.495 -4.190 11.577 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.964 -5.116 12.413 1.00 0.00 C ATOM 184 NH1 ARG A 18 -4.185 -5.612 12.271 1.00 0.00 N ATOM 185 NH2 ARG A 18 -2.377 -5.316 13.588 1.00 0.00 N ATOM 0 H ARG A 18 -3.573 0.215 11.767 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.076 -0.321 9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.862 -1.720 11.634 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.141 -2.438 10.676 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.513 -2.538 8.726 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.253 -2.010 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.870 -4.577 10.045 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.203 -4.447 9.519 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.772 -3.560 11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.783 -5.285 11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.527 -6.320 12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.564 -4.760 13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.739 -6.026 14.225 1.00 0.00 H new ATOM 192 N ARG A 19 -6.784 -0.223 10.942 1.00 0.00 N ATOM 193 CA ARG A 19 -8.246 -0.071 11.037 1.00 0.00 C ATOM 194 C ARG A 19 -8.783 1.189 10.342 1.00 0.00 C ATOM 195 O ARG A 19 -9.766 1.111 9.599 1.00 0.00 O ATOM 196 CB ARG A 19 -8.646 -0.094 12.511 1.00 0.00 C ATOM 197 CG ARG A 19 -8.422 -1.487 13.120 1.00 0.00 C ATOM 198 CD ARG A 19 -9.513 -1.842 14.139 1.00 0.00 C ATOM 199 NE ARG A 19 -10.804 -1.770 13.422 1.00 0.00 N ATOM 200 CZ ARG A 19 -11.824 -0.990 13.734 1.00 0.00 C ATOM 201 NH1 ARG A 19 -12.077 -0.635 14.984 1.00 0.00 N ATOM 202 NH2 ARG A 19 -12.783 -0.808 12.837 1.00 0.00 N ATOM 0 H ARG A 19 -6.328 -0.213 11.854 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.700 -0.907 10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.064 0.645 13.061 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.694 0.187 12.612 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.409 -2.234 12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.446 -1.520 13.605 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.352 -2.840 14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.498 -1.148 14.980 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.918 -2.379 12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.476 -0.965 15.739 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.873 -0.031 15.192 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.724 -1.266 11.927 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.580 -0.210 13.056 1.00 0.00 H new ATOM 209 N ILE A 20 -8.089 2.320 10.529 1.00 0.00 N ATOM 210 CA ILE A 20 -8.456 3.617 9.904 1.00 0.00 C ATOM 211 C ILE A 20 -8.492 3.480 8.368 1.00 0.00 C ATOM 212 O ILE A 20 -9.552 3.638 7.771 1.00 0.00 O ATOM 213 CB ILE A 20 -7.495 4.751 10.350 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.432 4.925 11.886 1.00 0.00 C ATOM 215 CG2 ILE A 20 -7.798 6.094 9.674 1.00 0.00 C ATOM 216 CD1 ILE A 20 -8.765 5.121 12.621 1.00 0.00 C ATOM 0 H ILE A 20 -7.256 2.371 11.116 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.455 3.891 10.245 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.511 4.425 10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.939 4.048 12.306 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.796 5.783 12.104 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.092 6.846 10.027 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.704 5.987 8.593 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.813 6.405 9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.579 5.230 13.689 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.259 6.017 12.245 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.405 4.255 12.451 1.00 0.00 H new ATOM 218 N VAL A 21 -7.384 3.007 7.787 1.00 0.00 N ATOM 219 CA VAL A 21 -7.244 2.807 6.325 1.00 0.00 C ATOM 220 C VAL A 21 -8.370 1.911 5.785 1.00 0.00 C ATOM 221 O VAL A 21 -9.024 2.264 4.797 1.00 0.00 O ATOM 222 CB VAL A 21 -5.866 2.211 5.974 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.651 2.208 4.459 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.692 2.959 6.605 1.00 0.00 C ATOM 0 H VAL A 21 -6.550 2.748 8.314 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.322 3.784 5.848 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.883 1.199 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.673 1.784 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.427 1.608 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.700 3.230 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.757 2.481 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.694 3.994 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.787 2.936 7.691 1.00 0.00 H new ATOM 226 N ARG A 22 -8.640 0.828 6.514 1.00 0.00 N ATOM 227 CA ARG A 22 -9.713 -0.138 6.209 1.00 0.00 C ATOM 228 C ARG A 22 -11.068 0.576 6.053 1.00 0.00 C ATOM 229 O ARG A 22 -11.622 0.601 4.948 1.00 0.00 O ATOM 230 CB ARG A 22 -9.726 -1.144 7.370 1.00 0.00 C ATOM 231 CG ARG A 22 -10.797 -2.213 7.240 1.00 0.00 C ATOM 232 CD ARG A 22 -10.908 -2.993 8.550 1.00 0.00 C ATOM 233 NE ARG A 22 -11.865 -4.088 8.347 1.00 0.00 N ATOM 234 CZ ARG A 22 -11.964 -5.194 9.089 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.145 -5.464 10.094 1.00 0.00 N ATOM 236 NH2 ARG A 22 -12.854 -6.120 8.763 1.00 0.00 N ATOM 0 H ARG A 22 -8.112 0.586 7.352 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.535 -0.648 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.750 -1.626 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.876 -0.604 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.755 -1.754 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.551 -2.890 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.935 -3.387 8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.242 -2.339 9.356 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.515 -3.995 7.566 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.397 -4.813 10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.262 -6.323 10.631 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.456 -5.985 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.937 -6.968 9.324 1.00 0.00 H new ATOM 243 N ASN A 23 -11.439 1.337 7.082 1.00 0.00 N ATOM 244 CA ASN A 23 -12.696 2.132 7.127 1.00 0.00 C ATOM 245 C ASN A 23 -12.829 3.107 5.936 1.00 0.00 C ATOM 246 O ASN A 23 -13.895 3.222 5.333 1.00 0.00 O ATOM 247 CB ASN A 23 -12.787 2.892 8.459 1.00 0.00 C ATOM 248 CG ASN A 23 -13.327 2.048 9.618 1.00 0.00 C ATOM 249 OD1 ASN A 23 -14.304 2.390 10.266 1.00 0.00 O ATOM 250 ND2 ASN A 23 -12.652 0.994 10.018 1.00 0.00 N ATOM 0 H ASN A 23 -10.876 1.429 7.927 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.526 1.430 7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.797 3.263 8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.429 3.763 8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.948 0.484 10.850 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.832 0.685 9.496 1.00 0.00 H new ATOM 254 N LEU A 24 -11.707 3.718 5.575 1.00 0.00 N ATOM 255 CA LEU A 24 -11.591 4.659 4.435 1.00 0.00 C ATOM 256 C LEU A 24 -11.921 3.970 3.105 1.00 0.00 C ATOM 257 O LEU A 24 -12.779 4.431 2.354 1.00 0.00 O ATOM 258 CB LEU A 24 -10.167 5.219 4.395 1.00 0.00 C ATOM 259 CG LEU A 24 -9.823 6.078 5.617 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.387 6.597 5.510 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.758 7.283 5.825 1.00 0.00 C ATOM 0 H LEU A 24 -10.825 3.579 6.069 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.308 5.468 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.460 4.392 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.044 5.817 3.492 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.948 5.419 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.154 7.206 6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.698 5.754 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.285 7.202 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.446 7.837 6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.711 7.935 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.781 6.931 5.960 1.00 0.00 H new ATOM 263 N LEU A 25 -11.240 2.863 2.847 1.00 0.00 N ATOM 264 CA LEU A 25 -11.435 2.023 1.640 1.00 0.00 C ATOM 265 C LEU A 25 -12.909 1.602 1.466 1.00 0.00 C ATOM 266 O LEU A 25 -13.485 1.750 0.386 1.00 0.00 O ATOM 267 CB LEU A 25 -10.534 0.782 1.689 1.00 0.00 C ATOM 268 CG LEU A 25 -9.080 1.217 1.639 1.00 0.00 C ATOM 269 CD1 LEU A 25 -8.132 0.126 2.136 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.669 1.676 0.232 1.00 0.00 C ATOM 0 H LEU A 25 -10.519 2.504 3.473 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.157 2.629 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.725 0.215 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.758 0.122 0.850 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.996 2.068 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.104 0.484 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.374 -0.124 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.240 -0.762 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.622 1.979 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.804 0.855 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.289 2.520 -0.071 1.00 0.00 H new ATOM 272 N LYS A 26 -13.510 1.240 2.600 1.00 0.00 N ATOM 273 CA LYS A 26 -14.937 0.865 2.711 1.00 0.00 C ATOM 274 C LYS A 26 -15.825 2.013 2.193 1.00 0.00 C ATOM 275 O LYS A 26 -16.544 1.833 1.207 1.00 0.00 O ATOM 276 CB LYS A 26 -15.297 0.568 4.180 1.00 0.00 C ATOM 277 CG LYS A 26 -14.494 -0.576 4.795 1.00 0.00 C ATOM 278 CD LYS A 26 -15.082 -1.965 4.563 1.00 0.00 C ATOM 279 CE LYS A 26 -16.281 -2.206 5.495 1.00 0.00 C ATOM 280 NZ LYS A 26 -16.678 -3.616 5.424 1.00 0.00 N ATOM 0 H LYS A 26 -13.016 1.195 3.491 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.108 -0.028 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.138 1.469 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.358 0.328 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.483 -0.552 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.410 -0.407 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.396 -2.064 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.319 -2.723 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.018 -1.942 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.115 -1.567 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.489 -3.780 6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.945 -3.853 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.882 -4.216 5.721 1.00 0.00 H new ATOM 285 N GLU A 27 -15.579 3.222 2.710 1.00 0.00 N ATOM 286 CA GLU A 27 -16.273 4.471 2.344 1.00 0.00 C ATOM 287 C GLU A 27 -16.182 4.777 0.841 1.00 0.00 C ATOM 288 O GLU A 27 -17.112 5.343 0.264 1.00 0.00 O ATOM 289 CB GLU A 27 -15.593 5.596 3.132 1.00 0.00 C ATOM 290 CG GLU A 27 -16.211 5.842 4.513 1.00 0.00 C ATOM 291 CD GLU A 27 -15.571 7.054 5.184 1.00 0.00 C ATOM 292 OE1 GLU A 27 -14.327 7.059 5.336 1.00 0.00 O ATOM 293 OE2 GLU A 27 -16.342 7.982 5.517 1.00 0.00 O ATOM 0 H GLU A 27 -14.864 3.367 3.423 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.333 4.377 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.537 5.355 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.645 6.517 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.285 6.001 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.076 4.960 5.139 1.00 0.00 H new ATOM 295 N LEU A 28 -15.026 4.479 0.257 1.00 0.00 N ATOM 296 CA LEU A 28 -14.734 4.675 -1.182 1.00 0.00 C ATOM 297 C LEU A 28 -15.421 3.650 -2.117 1.00 0.00 C ATOM 298 O LEU A 28 -15.444 3.846 -3.332 1.00 0.00 O ATOM 299 CB LEU A 28 -13.219 4.598 -1.405 1.00 0.00 C ATOM 300 CG LEU A 28 -12.423 5.647 -0.610 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.930 5.364 -0.723 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.757 7.083 -1.043 1.00 0.00 C ATOM 0 H LEU A 28 -14.239 4.084 0.773 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.137 5.655 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.870 3.603 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.010 4.725 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.717 5.567 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.374 6.112 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.716 4.373 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.630 5.405 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.170 7.787 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.520 7.209 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.818 7.273 -0.884 1.00 0.00 H new ATOM 304 N GLY A 29 -15.860 2.532 -1.536 1.00 0.00 N ATOM 305 CA GLY A 29 -16.522 1.422 -2.240 1.00 0.00 C ATOM 306 C GLY A 29 -15.637 0.184 -2.444 1.00 0.00 C ATOM 307 O GLY A 29 -16.016 -0.728 -3.174 1.00 0.00 O ATOM 0 H GLY A 29 -15.764 2.365 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.410 1.130 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.861 1.776 -3.214 1.00 0.00 H new ATOM 309 N PHE A 30 -14.520 0.104 -1.715 1.00 0.00 N ATOM 310 CA PHE A 30 -13.584 -1.033 -1.821 1.00 0.00 C ATOM 311 C PHE A 30 -13.835 -2.086 -0.748 1.00 0.00 C ATOM 312 O PHE A 30 -13.528 -1.933 0.438 1.00 0.00 O ATOM 313 CB PHE A 30 -12.129 -0.552 -1.830 1.00 0.00 C ATOM 314 CG PHE A 30 -11.805 0.262 -3.086 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.764 -0.374 -4.345 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.516 1.636 -2.954 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.431 0.373 -5.493 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.194 2.396 -4.101 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.141 1.754 -5.367 1.00 0.00 C ATOM 0 H PHE A 30 -14.236 0.814 -1.040 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.771 -1.521 -2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.942 0.056 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.462 -1.412 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.987 -1.428 -4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.541 2.105 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.397 -0.104 -6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.990 3.453 -4.016 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.876 2.326 -6.244 1.00 0.00 H new ATOM 321 N ASN A 31 -14.513 -3.121 -1.231 1.00 0.00 N ATOM 322 CA ASN A 31 -14.955 -4.302 -0.456 1.00 0.00 C ATOM 323 C ASN A 31 -13.877 -5.157 0.214 1.00 0.00 C ATOM 324 O ASN A 31 -13.984 -5.446 1.402 1.00 0.00 O ATOM 325 CB ASN A 31 -15.763 -5.247 -1.362 1.00 0.00 C ATOM 326 CG ASN A 31 -17.171 -4.756 -1.673 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.584 -4.630 -2.820 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.959 -4.552 -0.642 1.00 0.00 N ATOM 0 H ASN A 31 -14.787 -3.174 -2.212 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.529 -3.852 0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.223 -5.385 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.828 -6.224 -0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.932 -4.284 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.598 -4.662 0.306 1.00 0.00 H new ATOM 332 N ASN A 32 -12.809 -5.460 -0.525 1.00 0.00 N ATOM 333 CA ASN A 32 -11.782 -6.388 -0.028 1.00 0.00 C ATOM 334 C ASN A 32 -10.520 -5.747 0.538 1.00 0.00 C ATOM 335 O ASN A 32 -9.683 -5.169 -0.153 1.00 0.00 O ATOM 336 CB ASN A 32 -11.464 -7.411 -1.115 1.00 0.00 C ATOM 337 CG ASN A 32 -12.691 -8.256 -1.470 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.143 -9.107 -0.716 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.229 -8.030 -2.643 1.00 0.00 N ATOM 0 H ASN A 32 -12.630 -5.085 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.216 -6.878 0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.106 -6.896 -2.006 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.658 -8.063 -0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.041 -8.569 -2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.836 -7.315 -3.255 1.00 0.00 H new ATOM 343 N VAL A 33 -10.445 -5.863 1.856 1.00 0.00 N ATOM 344 CA VAL A 33 -9.331 -5.316 2.649 1.00 0.00 C ATOM 345 C VAL A 33 -8.840 -6.383 3.648 1.00 0.00 C ATOM 346 O VAL A 33 -9.623 -6.916 4.429 1.00 0.00 O ATOM 347 CB VAL A 33 -9.788 -4.040 3.388 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.703 -3.472 4.302 1.00 0.00 C ATOM 349 CG2 VAL A 33 -10.235 -2.936 2.422 1.00 0.00 C ATOM 0 H VAL A 33 -11.152 -6.339 2.416 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.506 -5.050 1.988 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.637 -4.355 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.077 -2.576 4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.433 -4.215 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.824 -3.219 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.547 -2.060 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.406 -2.668 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.070 -3.295 1.821 1.00 0.00 H new ATOM 351 N GLU A 34 -7.561 -6.746 3.518 1.00 0.00 N ATOM 352 CA GLU A 34 -6.919 -7.680 4.452 1.00 0.00 C ATOM 353 C GLU A 34 -5.895 -6.824 5.226 1.00 0.00 C ATOM 354 O GLU A 34 -5.422 -5.799 4.739 1.00 0.00 O ATOM 355 CB GLU A 34 -6.209 -8.813 3.713 1.00 0.00 C ATOM 356 CG GLU A 34 -6.226 -10.062 4.601 1.00 0.00 C ATOM 357 CD GLU A 34 -5.299 -11.182 4.115 1.00 0.00 C ATOM 358 OE1 GLU A 34 -4.106 -10.888 3.906 1.00 0.00 O ATOM 359 OE2 GLU A 34 -5.778 -12.345 4.140 1.00 0.00 O ATOM 0 H GLU A 34 -6.948 -6.408 2.776 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.650 -8.155 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.706 -9.016 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.183 -8.528 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.939 -9.780 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.245 -10.445 4.654 1.00 0.00 H new ATOM 361 N GLU A 35 -5.568 -7.271 6.431 1.00 0.00 N ATOM 362 CA GLU A 35 -4.639 -6.533 7.294 1.00 0.00 C ATOM 363 C GLU A 35 -3.404 -7.302 7.744 1.00 0.00 C ATOM 364 O GLU A 35 -3.488 -8.462 8.131 1.00 0.00 O ATOM 365 CB GLU A 35 -5.416 -5.982 8.503 1.00 0.00 C ATOM 366 CG GLU A 35 -6.267 -4.758 8.113 1.00 0.00 C ATOM 367 CD GLU A 35 -7.187 -4.364 9.263 1.00 0.00 C ATOM 368 OE1 GLU A 35 -6.747 -3.588 10.130 1.00 0.00 O ATOM 369 OE2 GLU A 35 -8.316 -4.911 9.286 1.00 0.00 O ATOM 0 H GLU A 35 -5.927 -8.135 6.837 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.233 -5.727 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.061 -6.761 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.716 -5.705 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.617 -3.922 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.859 -4.986 7.227 1.00 0.00 H new ATOM 371 N ALA A 36 -2.262 -6.675 7.452 1.00 0.00 N ATOM 372 CA ALA A 36 -0.921 -7.168 7.804 1.00 0.00 C ATOM 373 C ALA A 36 -0.207 -6.144 8.692 1.00 0.00 C ATOM 374 O ALA A 36 -0.351 -4.934 8.532 1.00 0.00 O ATOM 375 CB ALA A 36 -0.088 -7.402 6.546 1.00 0.00 C ATOM 0 H ALA A 36 -2.240 -5.787 6.951 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.032 -8.111 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.900 -7.766 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.582 -8.141 5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.013 -6.466 5.997 1.00 0.00 H new ATOM 377 N GLU A 37 0.635 -6.664 9.578 1.00 0.00 N ATOM 378 CA GLU A 37 1.382 -5.821 10.529 1.00 0.00 C ATOM 379 C GLU A 37 2.664 -5.190 9.961 1.00 0.00 C ATOM 380 O GLU A 37 2.795 -3.970 9.861 1.00 0.00 O ATOM 381 CB GLU A 37 1.675 -6.619 11.790 1.00 0.00 C ATOM 382 CG GLU A 37 1.117 -5.893 13.005 1.00 0.00 C ATOM 383 CD GLU A 37 2.123 -5.955 14.152 1.00 0.00 C ATOM 384 OE1 GLU A 37 3.012 -5.075 14.164 1.00 0.00 O ATOM 385 OE2 GLU A 37 2.065 -6.945 14.914 1.00 0.00 O ATOM 0 H GLU A 37 0.823 -7.663 9.665 1.00 0.00 H new ATOM 0 HA GLU A 37 0.739 -4.972 10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.231 -7.612 11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.750 -6.758 11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.903 -4.854 12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.175 -6.348 13.311 1.00 0.00 H new ATOM 387 N ASP A 38 3.592 -6.045 9.549 1.00 0.00 N ATOM 388 CA ASP A 38 4.908 -5.588 9.038 1.00 0.00 C ATOM 389 C ASP A 38 5.228 -6.248 7.684 1.00 0.00 C ATOM 390 O ASP A 38 4.550 -7.207 7.296 1.00 0.00 O ATOM 391 CB ASP A 38 5.973 -5.894 10.107 1.00 0.00 C ATOM 392 CG ASP A 38 6.424 -7.358 10.222 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.598 -8.254 9.922 1.00 0.00 O ATOM 394 OD2 ASP A 38 7.638 -7.552 10.398 1.00 0.00 O ATOM 0 H ASP A 38 3.472 -7.058 9.553 1.00 0.00 H new ATOM 0 HA ASP A 38 4.893 -4.514 8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.851 -5.281 9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.585 -5.579 11.076 1.00 0.00 H new ATOM 396 N GLY A 39 6.391 -5.880 7.149 1.00 0.00 N ATOM 397 CA GLY A 39 6.922 -6.395 5.876 1.00 0.00 C ATOM 398 C GLY A 39 6.822 -7.918 5.694 1.00 0.00 C ATOM 399 O GLY A 39 6.189 -8.396 4.758 1.00 0.00 O ATOM 0 H GLY A 39 7.008 -5.201 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.390 -5.911 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.969 -6.103 5.793 1.00 0.00 H new ATOM 401 N VAL A 40 7.332 -8.655 6.676 1.00 0.00 N ATOM 402 CA VAL A 40 7.333 -10.132 6.686 1.00 0.00 C ATOM 403 C VAL A 40 5.901 -10.699 6.573 1.00 0.00 C ATOM 404 O VAL A 40 5.570 -11.330 5.573 1.00 0.00 O ATOM 405 CB VAL A 40 8.055 -10.678 7.933 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.128 -12.201 7.889 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.487 -10.127 8.058 1.00 0.00 C ATOM 0 H VAL A 40 7.765 -8.246 7.504 1.00 0.00 H new ATOM 0 HA VAL A 40 7.886 -10.467 5.808 1.00 0.00 H new ATOM 0 HB VAL A 40 7.474 -10.352 8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.641 -12.566 8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.119 -12.613 7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.676 -12.513 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.958 -10.538 8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.065 -10.412 7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.453 -9.040 8.133 1.00 0.00 H new ATOM 409 N ASP A 41 5.039 -10.308 7.529 1.00 0.00 N ATOM 410 CA ASP A 41 3.632 -10.733 7.594 1.00 0.00 C ATOM 411 C ASP A 41 2.884 -10.404 6.282 1.00 0.00 C ATOM 412 O ASP A 41 2.111 -11.217 5.784 1.00 0.00 O ATOM 413 CB ASP A 41 3.007 -10.027 8.798 1.00 0.00 C ATOM 414 CG ASP A 41 1.572 -10.462 9.137 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.306 -11.681 9.119 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.826 -9.530 9.511 1.00 0.00 O ATOM 0 H ASP A 41 5.305 -9.680 8.287 1.00 0.00 H new ATOM 0 HA ASP A 41 3.560 -11.814 7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.638 -10.201 9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.010 -8.953 8.612 1.00 0.00 H new ATOM 418 N ALA A 42 3.239 -9.252 5.708 1.00 0.00 N ATOM 419 CA ALA A 42 2.686 -8.760 4.434 1.00 0.00 C ATOM 420 C ALA A 42 3.039 -9.686 3.262 1.00 0.00 C ATOM 421 O ALA A 42 2.132 -10.219 2.641 1.00 0.00 O ATOM 422 CB ALA A 42 3.212 -7.354 4.171 1.00 0.00 C ATOM 0 H ALA A 42 3.929 -8.622 6.118 1.00 0.00 H new ATOM 0 HA ALA A 42 1.599 -8.743 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.806 -6.984 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.906 -6.693 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.300 -7.378 4.113 1.00 0.00 H new ATOM 424 N LEU A 43 4.328 -10.011 3.117 1.00 0.00 N ATOM 425 CA LEU A 43 4.826 -10.921 2.052 1.00 0.00 C ATOM 426 C LEU A 43 4.094 -12.264 2.094 1.00 0.00 C ATOM 427 O LEU A 43 3.518 -12.695 1.092 1.00 0.00 O ATOM 428 CB LEU A 43 6.344 -11.139 2.165 1.00 0.00 C ATOM 429 CG LEU A 43 7.170 -9.941 1.674 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.619 -10.119 2.106 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.122 -9.787 0.149 1.00 0.00 C ATOM 0 H LEU A 43 5.064 -9.657 3.728 1.00 0.00 H new ATOM 0 HA LEU A 43 4.622 -10.443 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.598 -11.344 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.621 -12.022 1.589 1.00 0.00 H new ATOM 0 HG LEU A 43 6.738 -9.042 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.209 -9.270 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.670 -10.176 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.017 -11.038 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.721 -8.926 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.521 -10.686 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.090 -9.638 -0.169 1.00 0.00 H new ATOM 433 N ASN A 44 3.961 -12.815 3.305 1.00 0.00 N ATOM 434 CA ASN A 44 3.243 -14.073 3.567 1.00 0.00 C ATOM 435 C ASN A 44 1.791 -13.994 3.059 1.00 0.00 C ATOM 436 O ASN A 44 1.394 -14.710 2.141 1.00 0.00 O ATOM 437 CB ASN A 44 3.251 -14.351 5.080 1.00 0.00 C ATOM 438 CG ASN A 44 4.652 -14.525 5.707 1.00 0.00 C ATOM 439 OD1 ASN A 44 4.892 -14.188 6.848 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.623 -14.984 4.944 1.00 0.00 N ATOM 0 H ASN A 44 4.355 -12.395 4.147 1.00 0.00 H new ATOM 0 HA ASN A 44 3.745 -14.882 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.742 -13.531 5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.670 -15.253 5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.571 -15.055 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.426 -15.269 3.984 1.00 0.00 H new ATOM 444 N LYS A 45 1.070 -13.004 3.586 1.00 0.00 N ATOM 445 CA LYS A 45 -0.332 -12.681 3.242 1.00 0.00 C ATOM 446 C LYS A 45 -0.569 -12.369 1.760 1.00 0.00 C ATOM 447 O LYS A 45 -1.522 -12.896 1.177 1.00 0.00 O ATOM 448 CB LYS A 45 -0.792 -11.520 4.126 1.00 0.00 C ATOM 449 CG LYS A 45 -1.166 -12.032 5.517 1.00 0.00 C ATOM 450 CD LYS A 45 -1.541 -10.876 6.448 1.00 0.00 C ATOM 451 CE LYS A 45 -1.890 -11.359 7.860 1.00 0.00 C ATOM 452 NZ LYS A 45 -3.200 -12.027 7.867 1.00 0.00 N ATOM 0 H LYS A 45 1.453 -12.376 4.292 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.925 -13.576 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.002 -10.777 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.649 -11.024 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.003 -12.726 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.329 -12.587 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.711 -10.171 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.391 -10.336 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.123 -12.047 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.903 -10.513 8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.444 -12.303 8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.923 -11.376 7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.160 -12.875 7.266 1.00 0.00 H new ATOM 457 N LEU A 46 0.339 -11.628 1.134 1.00 0.00 N ATOM 458 CA LEU A 46 0.275 -11.285 -0.300 1.00 0.00 C ATOM 459 C LEU A 46 0.126 -12.501 -1.221 1.00 0.00 C ATOM 460 O LEU A 46 -0.728 -12.524 -2.113 1.00 0.00 O ATOM 461 CB LEU A 46 1.480 -10.432 -0.723 1.00 0.00 C ATOM 462 CG LEU A 46 1.287 -8.973 -0.301 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.610 -8.219 -0.296 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.248 -8.271 -1.178 1.00 0.00 C ATOM 0 H LEU A 46 1.155 -11.239 1.606 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.636 -10.699 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.389 -10.829 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.610 -10.489 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 46 0.906 -8.974 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.439 -7.186 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.297 -8.694 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.042 -8.236 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.135 -7.237 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.577 -8.290 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.709 -8.785 -1.091 1.00 0.00 H new ATOM 466 N GLN A 47 0.862 -13.557 -0.885 1.00 0.00 N ATOM 467 CA GLN A 47 0.832 -14.848 -1.605 1.00 0.00 C ATOM 468 C GLN A 47 -0.501 -15.610 -1.540 1.00 0.00 C ATOM 469 O GLN A 47 -0.766 -16.450 -2.397 1.00 0.00 O ATOM 470 CB GLN A 47 1.986 -15.745 -1.159 1.00 0.00 C ATOM 471 CG GLN A 47 3.219 -15.625 -2.064 1.00 0.00 C ATOM 472 CD GLN A 47 4.104 -14.388 -1.847 1.00 0.00 C ATOM 473 OE1 GLN A 47 3.698 -13.270 -1.607 1.00 0.00 O ATOM 474 NE2 GLN A 47 5.393 -14.569 -2.068 1.00 0.00 N ATOM 0 H GLN A 47 1.508 -13.550 -0.096 1.00 0.00 H new ATOM 0 HA GLN A 47 0.950 -14.580 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.265 -15.488 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.650 -16.782 -1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.834 -16.514 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.884 -15.628 -3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.749 -15.503 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.032 -13.775 -2.036 1.00 0.00 H new ATOM 478 N ALA A 48 -1.389 -15.233 -0.603 1.00 0.00 N ATOM 479 CA ALA A 48 -2.719 -15.858 -0.415 1.00 0.00 C ATOM 480 C ALA A 48 -3.759 -15.540 -1.515 1.00 0.00 C ATOM 481 O ALA A 48 -4.934 -15.893 -1.412 1.00 0.00 O ATOM 482 CB ALA A 48 -3.255 -15.484 0.971 1.00 0.00 C ATOM 0 H ALA A 48 -1.205 -14.476 0.056 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.565 -16.934 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.234 -15.940 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.568 -15.845 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.345 -14.400 1.046 1.00 0.00 H new ATOM 484 N GLY A 49 -3.254 -15.003 -2.628 1.00 0.00 N ATOM 485 CA GLY A 49 -4.019 -14.636 -3.844 1.00 0.00 C ATOM 486 C GLY A 49 -4.889 -13.377 -3.759 1.00 0.00 C ATOM 487 O GLY A 49 -5.020 -12.747 -2.720 1.00 0.00 O ATOM 0 H GLY A 49 -2.259 -14.799 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.312 -14.506 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.662 -15.476 -4.108 1.00 0.00 H new ATOM 489 N GLY A 50 -5.188 -12.892 -4.963 1.00 0.00 N ATOM 490 CA GLY A 50 -6.060 -11.740 -5.235 1.00 0.00 C ATOM 491 C GLY A 50 -5.577 -10.303 -4.933 1.00 0.00 C ATOM 492 O GLY A 50 -6.232 -9.375 -5.409 1.00 0.00 O ATOM 0 H GLY A 50 -4.815 -13.307 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.321 -11.776 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.982 -11.894 -4.674 1.00 0.00 H new ATOM 494 N TYR A 51 -4.491 -10.110 -4.184 1.00 0.00 N ATOM 495 CA TYR A 51 -4.019 -8.751 -3.835 1.00 0.00 C ATOM 496 C TYR A 51 -3.528 -7.903 -5.008 1.00 0.00 C ATOM 497 O TYR A 51 -2.377 -7.981 -5.444 1.00 0.00 O ATOM 498 CB TYR A 51 -2.986 -8.715 -2.709 1.00 0.00 C ATOM 499 CG TYR A 51 -3.518 -9.350 -1.432 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.494 -8.662 -0.672 1.00 0.00 C ATOM 501 CD2 TYR A 51 -3.196 -10.697 -1.178 1.00 0.00 C ATOM 502 CE1 TYR A 51 -5.202 -9.367 0.316 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.896 -11.395 -0.181 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.903 -10.734 0.529 1.00 0.00 C ATOM 505 OH TYR A 51 -5.714 -11.470 1.326 1.00 0.00 O ATOM 0 H TYR A 51 -3.919 -10.865 -3.805 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.939 -8.291 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.084 -9.238 -3.027 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.702 -7.682 -2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.691 -7.615 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.419 -11.188 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.962 -8.874 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.660 -12.427 0.034 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.379 -12.390 1.374 1.00 0.00 H new ATOM 508 N GLY A 52 -4.441 -7.031 -5.424 1.00 0.00 N ATOM 509 CA GLY A 52 -4.205 -6.057 -6.501 1.00 0.00 C ATOM 510 C GLY A 52 -3.772 -4.687 -5.948 1.00 0.00 C ATOM 511 O GLY A 52 -3.982 -3.672 -6.614 1.00 0.00 O ATOM 0 H GLY A 52 -5.377 -6.975 -5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.436 -6.437 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.114 -5.940 -7.091 1.00 0.00 H new ATOM 513 N PHE A 53 -3.366 -4.685 -4.673 1.00 0.00 N ATOM 514 CA PHE A 53 -2.883 -3.475 -3.967 1.00 0.00 C ATOM 515 C PHE A 53 -2.213 -3.772 -2.619 1.00 0.00 C ATOM 516 O PHE A 53 -2.728 -4.504 -1.767 1.00 0.00 O ATOM 517 CB PHE A 53 -4.041 -2.517 -3.696 1.00 0.00 C ATOM 518 CG PHE A 53 -3.634 -1.074 -3.999 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.965 -0.320 -3.019 1.00 0.00 C ATOM 520 CD2 PHE A 53 -3.883 -0.555 -5.287 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.527 0.976 -3.328 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.434 0.749 -5.601 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.755 1.504 -4.619 1.00 0.00 C ATOM 0 H PHE A 53 -3.360 -5.523 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.140 -3.036 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.899 -2.794 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.352 -2.601 -2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.790 -0.735 -2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.409 -1.145 -6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.017 1.568 -2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.609 1.164 -6.583 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.406 2.498 -4.858 1.00 0.00 H new ATOM 525 N VAL A 54 -1.102 -3.076 -2.441 1.00 0.00 N ATOM 526 CA VAL A 54 -0.282 -3.112 -1.208 1.00 0.00 C ATOM 527 C VAL A 54 -0.168 -1.661 -0.731 1.00 0.00 C ATOM 528 O VAL A 54 0.401 -0.795 -1.396 1.00 0.00 O ATOM 529 CB VAL A 54 1.137 -3.659 -1.447 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.837 -3.930 -0.114 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.141 -4.951 -2.263 1.00 0.00 C ATOM 0 H VAL A 54 -0.724 -2.453 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.757 -3.773 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 54 1.667 -2.893 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.839 -4.316 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.906 -3.003 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.266 -4.664 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.167 -5.291 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.573 -5.717 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.686 -4.768 -3.236 1.00 0.00 H new ATOM 533 N ILE A 55 -0.792 -1.426 0.411 1.00 0.00 N ATOM 534 CA ILE A 55 -0.795 -0.110 1.065 1.00 0.00 C ATOM 535 C ILE A 55 -0.063 -0.272 2.408 1.00 0.00 C ATOM 536 O ILE A 55 -0.556 -0.911 3.345 1.00 0.00 O ATOM 537 CB ILE A 55 -2.236 0.450 1.095 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.300 1.851 1.707 1.00 0.00 C ATOM 539 CG2 ILE A 55 -3.228 -0.490 1.773 1.00 0.00 C ATOM 540 CD1 ILE A 55 -3.640 2.569 1.589 1.00 0.00 C ATOM 0 H ILE A 55 -1.315 -2.139 0.919 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.247 0.661 0.524 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.539 0.529 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.041 1.777 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.536 2.468 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.221 -0.040 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.254 -1.439 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.919 -0.663 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.569 3.551 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.899 2.686 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.412 1.984 2.090 1.00 0.00 H new ATOM 542 N SER A 56 1.204 0.105 2.355 1.00 0.00 N ATOM 543 CA SER A 56 2.139 -0.069 3.487 1.00 0.00 C ATOM 544 C SER A 56 2.781 1.161 4.130 1.00 0.00 C ATOM 545 O SER A 56 3.351 2.027 3.466 1.00 0.00 O ATOM 546 CB SER A 56 3.251 -1.072 3.139 1.00 0.00 C ATOM 547 OG SER A 56 3.934 -1.426 4.353 1.00 0.00 O ATOM 0 H SER A 56 1.626 0.540 1.535 1.00 0.00 H new ATOM 0 HA SER A 56 1.454 -0.431 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.828 -1.960 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.948 -0.634 2.425 1.00 0.00 H new ATOM 0 HG SER A 56 3.308 -1.380 5.106 1.00 0.00 H new ATOM 550 N ASP A 57 2.843 1.064 5.456 1.00 0.00 N ATOM 551 CA ASP A 57 3.424 2.069 6.360 1.00 0.00 C ATOM 552 C ASP A 57 4.956 2.058 6.269 1.00 0.00 C ATOM 553 O ASP A 57 5.603 1.034 6.496 1.00 0.00 O ATOM 554 CB ASP A 57 2.973 1.726 7.782 1.00 0.00 C ATOM 555 CG ASP A 57 3.163 2.856 8.807 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.264 3.463 8.808 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.191 3.103 9.545 1.00 0.00 O ATOM 0 H ASP A 57 2.477 0.253 5.955 1.00 0.00 H new ATOM 0 HA ASP A 57 3.087 3.067 6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.919 1.450 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.524 0.849 8.122 1.00 0.00 H new ATOM 559 N TRP A 58 5.528 3.240 6.079 1.00 0.00 N ATOM 560 CA TRP A 58 6.994 3.438 5.990 1.00 0.00 C ATOM 561 C TRP A 58 7.737 2.901 7.233 1.00 0.00 C ATOM 562 O TRP A 58 8.689 2.124 7.113 1.00 0.00 O ATOM 563 CB TRP A 58 7.283 4.939 5.849 1.00 0.00 C ATOM 564 CG TRP A 58 8.696 5.222 5.317 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.823 5.337 6.019 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.039 5.332 3.982 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.858 5.510 5.201 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.429 5.519 3.938 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.282 5.256 2.788 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.105 5.612 2.697 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.957 5.334 1.559 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.359 5.507 1.515 1.00 0.00 C ATOM 0 H TRP A 58 4.995 4.104 5.980 1.00 0.00 H new ATOM 0 HA TRP A 58 7.352 2.882 5.124 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.550 5.385 5.177 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.161 5.421 6.819 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.887 5.296 7.096 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.829 5.619 5.494 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.209 5.141 2.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.174 5.761 2.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.399 5.261 0.637 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.861 5.559 0.560 1.00 0.00 H new ATOM 575 N ASN A 59 7.122 3.129 8.384 1.00 0.00 N ATOM 576 CA ASN A 59 7.628 2.749 9.714 1.00 0.00 C ATOM 577 C ASN A 59 6.954 1.443 10.192 1.00 0.00 C ATOM 578 O ASN A 59 5.862 1.450 10.751 1.00 0.00 O ATOM 579 CB ASN A 59 7.316 3.957 10.602 1.00 0.00 C ATOM 580 CG ASN A 59 7.719 3.776 12.063 1.00 0.00 C ATOM 581 OD1 ASN A 59 8.878 3.686 12.431 1.00 0.00 O ATOM 582 ND2 ASN A 59 6.734 3.652 12.930 1.00 0.00 N ATOM 0 H ASN A 59 6.220 3.602 8.429 1.00 0.00 H new ATOM 0 HA ASN A 59 8.696 2.530 9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.828 4.832 10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.247 4.163 10.554 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.939 3.480 13.914 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.766 3.728 12.617 1.00 0.00 H new ATOM 586 N MET A 60 7.629 0.331 9.910 1.00 0.00 N ATOM 587 CA MET A 60 7.156 -1.023 10.273 1.00 0.00 C ATOM 588 C MET A 60 8.277 -1.867 10.929 1.00 0.00 C ATOM 589 O MET A 60 9.406 -1.827 10.445 1.00 0.00 O ATOM 590 CB MET A 60 6.635 -1.736 9.016 1.00 0.00 C ATOM 591 CG MET A 60 5.273 -1.207 8.578 1.00 0.00 C ATOM 592 SD MET A 60 4.476 -2.225 7.278 1.00 0.00 S ATOM 593 CE MET A 60 5.835 -2.698 6.213 1.00 0.00 C ATOM 0 H MET A 60 8.524 0.333 9.421 1.00 0.00 H new ATOM 0 HA MET A 60 6.353 -0.916 11.003 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.351 -1.608 8.204 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.562 -2.806 9.211 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.615 -1.159 9.445 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.389 -0.188 8.210 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.446 -3.208 5.332 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.383 -1.807 5.905 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.505 -3.367 6.753 1.00 0.00 H new ATOM 595 N PRO A 61 7.977 -2.578 12.042 1.00 0.00 N ATOM 596 CA PRO A 61 8.948 -3.433 12.756 1.00 0.00 C ATOM 597 C PRO A 61 9.540 -4.499 11.822 1.00 0.00 C ATOM 598 O PRO A 61 8.851 -4.984 10.920 1.00 0.00 O ATOM 599 CB PRO A 61 8.139 -4.101 13.863 1.00 0.00 C ATOM 600 CG PRO A 61 7.053 -3.084 14.165 1.00 0.00 C ATOM 601 CD PRO A 61 6.713 -2.528 12.791 1.00 0.00 C ATOM 0 HA PRO A 61 9.788 -2.853 13.139 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.719 -5.052 13.536 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.752 -4.307 14.740 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.187 -3.547 14.639 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.407 -2.304 14.840 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.941 -3.123 12.304 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.334 -1.508 12.860 1.00 0.00 H new ATOM 602 N ASN A 62 10.824 -4.792 12.053 1.00 0.00 N ATOM 603 CA ASN A 62 11.639 -5.762 11.282 1.00 0.00 C ATOM 604 C ASN A 62 11.865 -5.321 9.827 1.00 0.00 C ATOM 605 O ASN A 62 12.890 -4.731 9.515 1.00 0.00 O ATOM 606 CB ASN A 62 11.114 -7.204 11.341 1.00 0.00 C ATOM 607 CG ASN A 62 11.215 -7.839 12.731 1.00 0.00 C ATOM 608 OD1 ASN A 62 10.222 -8.134 13.383 1.00 0.00 O ATOM 609 ND2 ASN A 62 12.418 -8.050 13.206 1.00 0.00 N ATOM 0 H ASN A 62 11.351 -4.350 12.806 1.00 0.00 H new ATOM 0 HA ASN A 62 12.605 -5.765 11.786 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.072 -7.215 11.021 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.672 -7.814 10.631 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.536 -8.465 14.130 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.237 -7.799 12.651 1.00 0.00 H new ATOM 613 N MET A 63 10.813 -5.426 9.013 1.00 0.00 N ATOM 614 CA MET A 63 10.847 -5.062 7.595 1.00 0.00 C ATOM 615 C MET A 63 9.904 -3.870 7.369 1.00 0.00 C ATOM 616 O MET A 63 8.682 -3.994 7.486 1.00 0.00 O ATOM 617 CB MET A 63 10.444 -6.287 6.761 1.00 0.00 C ATOM 618 CG MET A 63 10.672 -6.084 5.264 1.00 0.00 C ATOM 619 SD MET A 63 10.077 -7.460 4.215 1.00 0.00 S ATOM 620 CE MET A 63 11.228 -8.750 4.666 1.00 0.00 C ATOM 0 H MET A 63 9.904 -5.770 9.323 1.00 0.00 H new ATOM 0 HA MET A 63 11.848 -4.761 7.285 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.014 -7.153 7.097 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.392 -6.511 6.937 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.174 -5.165 4.954 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.738 -5.943 5.087 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.040 -9.634 4.057 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.248 -8.403 4.497 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.099 -9.001 5.719 1.00 0.00 H new ATOM 622 N ASP A 64 10.556 -2.706 7.339 1.00 0.00 N ATOM 623 CA ASP A 64 9.898 -1.397 7.114 1.00 0.00 C ATOM 624 C ASP A 64 9.207 -1.306 5.733 1.00 0.00 C ATOM 625 O ASP A 64 9.530 -2.085 4.839 1.00 0.00 O ATOM 626 CB ASP A 64 10.924 -0.268 7.317 1.00 0.00 C ATOM 627 CG ASP A 64 12.101 -0.337 6.332 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.866 0.043 5.159 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.153 -0.861 6.742 1.00 0.00 O ATOM 0 H ASP A 64 11.565 -2.634 7.470 1.00 0.00 H new ATOM 0 HA ASP A 64 9.099 -1.288 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.423 0.694 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.308 -0.313 8.336 1.00 0.00 H new ATOM 631 N GLY A 65 8.402 -0.270 5.543 1.00 0.00 N ATOM 632 CA GLY A 65 7.639 -0.014 4.300 1.00 0.00 C ATOM 633 C GLY A 65 8.482 -0.073 3.020 1.00 0.00 C ATOM 634 O GLY A 65 8.229 -0.911 2.151 1.00 0.00 O ATOM 0 H GLY A 65 8.248 0.441 6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.833 -0.744 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.173 0.969 4.369 1.00 0.00 H new ATOM 636 N LEU A 66 9.574 0.691 3.010 1.00 0.00 N ATOM 637 CA LEU A 66 10.521 0.754 1.873 1.00 0.00 C ATOM 638 C LEU A 66 11.149 -0.629 1.554 1.00 0.00 C ATOM 639 O LEU A 66 11.200 -1.040 0.400 1.00 0.00 O ATOM 640 CB LEU A 66 11.559 1.826 2.228 1.00 0.00 C ATOM 641 CG LEU A 66 12.591 2.042 1.128 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.983 2.540 -0.189 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.641 3.055 1.571 1.00 0.00 C ATOM 0 H LEU A 66 9.837 1.292 3.791 1.00 0.00 H new ATOM 0 HA LEU A 66 10.008 1.027 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.047 2.767 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.070 1.539 3.147 1.00 0.00 H new ATOM 0 HG LEU A 66 13.036 1.063 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.774 2.672 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.262 1.810 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.481 3.493 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.370 3.196 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.158 4.006 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.147 2.687 2.463 1.00 0.00 H new ATOM 645 N GLU A 67 11.497 -1.365 2.607 1.00 0.00 N ATOM 646 CA GLU A 67 12.063 -2.726 2.505 1.00 0.00 C ATOM 647 C GLU A 67 11.029 -3.718 1.929 1.00 0.00 C ATOM 648 O GLU A 67 11.353 -4.481 1.023 1.00 0.00 O ATOM 649 CB GLU A 67 12.494 -3.169 3.897 1.00 0.00 C ATOM 650 CG GLU A 67 13.961 -3.587 3.966 1.00 0.00 C ATOM 651 CD GLU A 67 14.393 -4.052 5.364 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.710 -3.662 6.344 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.379 -4.802 5.423 1.00 0.00 O ATOM 0 H GLU A 67 11.397 -1.039 3.568 1.00 0.00 H new ATOM 0 HA GLU A 67 12.917 -2.713 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.321 -2.355 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.869 -4.004 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.137 -4.392 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.586 -2.748 3.660 1.00 0.00 H new ATOM 655 N LEU A 68 9.790 -3.623 2.413 1.00 0.00 N ATOM 656 CA LEU A 68 8.638 -4.436 1.943 1.00 0.00 C ATOM 657 C LEU A 68 8.401 -4.229 0.442 1.00 0.00 C ATOM 658 O LEU A 68 8.253 -5.174 -0.333 1.00 0.00 O ATOM 659 CB LEU A 68 7.425 -4.096 2.833 1.00 0.00 C ATOM 660 CG LEU A 68 6.042 -4.688 2.451 1.00 0.00 C ATOM 661 CD1 LEU A 68 5.302 -3.753 1.497 1.00 0.00 C ATOM 662 CD2 LEU A 68 6.093 -6.160 2.037 1.00 0.00 C ATOM 0 H LEU A 68 9.541 -2.971 3.157 1.00 0.00 H new ATOM 0 HA LEU A 68 8.834 -5.503 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.656 -4.420 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.326 -3.011 2.860 1.00 0.00 H new ATOM 0 HG LEU A 68 5.431 -4.732 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.335 -4.186 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.151 -2.787 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.891 -3.618 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.089 -6.502 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.743 -6.272 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.483 -6.757 2.862 1.00 0.00 H new ATOM 664 N LEU A 69 8.430 -2.965 0.038 1.00 0.00 N ATOM 665 CA LEU A 69 8.304 -2.516 -1.363 1.00 0.00 C ATOM 666 C LEU A 69 9.322 -3.266 -2.246 1.00 0.00 C ATOM 667 O LEU A 69 8.936 -3.995 -3.164 1.00 0.00 O ATOM 668 CB LEU A 69 8.543 -1.012 -1.230 1.00 0.00 C ATOM 669 CG LEU A 69 8.297 -0.168 -2.480 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.161 1.286 -2.029 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.438 -0.282 -3.474 1.00 0.00 C ATOM 0 H LEU A 69 8.545 -2.190 0.691 1.00 0.00 H new ATOM 0 HA LEU A 69 7.352 -2.720 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.903 -0.634 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.574 -0.857 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 69 7.396 -0.522 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.984 1.921 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.324 1.375 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.078 1.600 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.222 0.333 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.362 0.060 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.550 -1.322 -3.781 1.00 0.00 H new ATOM 673 N LYS A 70 10.585 -3.269 -1.798 1.00 0.00 N ATOM 674 CA LYS A 70 11.709 -3.961 -2.459 1.00 0.00 C ATOM 675 C LYS A 70 11.481 -5.479 -2.593 1.00 0.00 C ATOM 676 O LYS A 70 11.623 -6.032 -3.679 1.00 0.00 O ATOM 677 CB LYS A 70 13.011 -3.731 -1.685 1.00 0.00 C ATOM 678 CG LYS A 70 13.522 -2.293 -1.717 1.00 0.00 C ATOM 679 CD LYS A 70 14.687 -2.132 -0.731 1.00 0.00 C ATOM 680 CE LYS A 70 15.302 -0.728 -0.767 1.00 0.00 C ATOM 681 NZ LYS A 70 16.128 -0.555 -1.965 1.00 0.00 N ATOM 0 H LYS A 70 10.864 -2.780 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 70 11.778 -3.537 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.858 -4.026 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.781 -4.386 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.849 -2.036 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.717 -1.606 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.335 -2.344 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.457 -2.868 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.511 0.022 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.908 -0.568 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.535 0.402 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.895 -1.258 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.541 -0.686 -2.813 1.00 0.00 H new ATOM 686 N THR A 71 11.046 -6.122 -1.497 1.00 0.00 N ATOM 687 CA THR A 71 10.765 -7.580 -1.430 1.00 0.00 C ATOM 688 C THR A 71 9.648 -8.008 -2.411 1.00 0.00 C ATOM 689 O THR A 71 9.613 -9.176 -2.801 1.00 0.00 O ATOM 690 CB THR A 71 10.618 -8.075 -0.005 1.00 0.00 C ATOM 691 OG1 THR A 71 9.696 -7.282 0.745 1.00 0.00 O ATOM 692 CG2 THR A 71 11.981 -8.131 0.687 1.00 0.00 C ATOM 0 H THR A 71 10.874 -5.642 -0.613 1.00 0.00 H new ATOM 0 HA THR A 71 11.646 -8.108 -1.795 1.00 0.00 H new ATOM 0 HB THR A 71 10.209 -9.084 -0.049 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.258 -6.639 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.856 -8.489 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.638 -8.810 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.422 -7.134 0.703 1.00 0.00 H new ATOM 695 N ILE A 72 8.786 -7.072 -2.792 1.00 0.00 N ATOM 696 CA ILE A 72 7.729 -7.285 -3.805 1.00 0.00 C ATOM 697 C ILE A 72 8.339 -7.073 -5.207 1.00 0.00 C ATOM 698 O ILE A 72 8.493 -8.030 -5.964 1.00 0.00 O ATOM 699 CB ILE A 72 6.535 -6.326 -3.567 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.953 -6.508 -2.158 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.433 -6.540 -4.615 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.199 -5.267 -1.671 1.00 0.00 C ATOM 0 H ILE A 72 8.792 -6.127 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 72 7.346 -8.302 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 72 6.914 -5.308 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.278 -7.364 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.760 -6.736 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.609 -5.853 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.836 -6.353 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.071 -7.566 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.808 -5.449 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.878 -4.415 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.374 -5.053 -2.350 1.00 0.00 H new ATOM 704 N ARG A 73 8.872 -5.871 -5.421 1.00 0.00 N ATOM 705 CA ARG A 73 9.511 -5.388 -6.673 1.00 0.00 C ATOM 706 C ARG A 73 10.555 -6.365 -7.263 1.00 0.00 C ATOM 707 O ARG A 73 10.454 -6.774 -8.422 1.00 0.00 O ATOM 708 CB ARG A 73 10.123 -4.002 -6.460 1.00 0.00 C ATOM 709 CG ARG A 73 9.029 -2.930 -6.347 1.00 0.00 C ATOM 710 CD ARG A 73 8.243 -2.797 -7.650 1.00 0.00 C ATOM 711 NE ARG A 73 7.110 -1.877 -7.473 1.00 0.00 N ATOM 712 CZ ARG A 73 5.823 -2.212 -7.368 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.375 -3.416 -7.681 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.914 -1.256 -7.214 1.00 0.00 N ATOM 0 H ARG A 73 8.877 -5.157 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 73 8.714 -5.325 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.731 -4.004 -5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.788 -3.762 -7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.349 -3.186 -5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.482 -1.971 -6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.897 -2.430 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.880 -3.775 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 73 7.330 -0.882 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.022 -4.129 -8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.383 -3.631 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.203 -0.279 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.927 -1.499 -7.133 1.00 0.00 H new ATOM 721 N ALA A 74 11.486 -6.788 -6.412 1.00 0.00 N ATOM 722 CA ALA A 74 12.582 -7.722 -6.753 1.00 0.00 C ATOM 723 C ALA A 74 12.143 -9.197 -6.924 1.00 0.00 C ATOM 724 O ALA A 74 12.803 -9.975 -7.622 1.00 0.00 O ATOM 725 CB ALA A 74 13.669 -7.627 -5.678 1.00 0.00 C ATOM 0 H ALA A 74 11.509 -6.489 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 74 12.956 -7.414 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.481 -8.312 -5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.053 -6.608 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.247 -7.894 -4.709 1.00 0.00 H new ATOM 727 N ASP A 75 11.001 -9.540 -6.341 1.00 0.00 N ATOM 728 CA ASP A 75 10.459 -10.914 -6.406 1.00 0.00 C ATOM 729 C ASP A 75 9.697 -11.091 -7.727 1.00 0.00 C ATOM 730 O ASP A 75 8.550 -10.663 -7.846 1.00 0.00 O ATOM 731 CB ASP A 75 9.543 -11.132 -5.190 1.00 0.00 C ATOM 732 CG ASP A 75 8.951 -12.547 -5.101 1.00 0.00 C ATOM 733 OD1 ASP A 75 8.210 -12.919 -6.040 1.00 0.00 O ATOM 734 OD2 ASP A 75 9.277 -13.249 -4.119 1.00 0.00 O ATOM 0 H ASP A 75 10.421 -8.889 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 75 11.258 -11.655 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.108 -10.928 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.728 -10.410 -5.228 1.00 0.00 H new ATOM 736 N GLY A 76 10.393 -11.680 -8.700 1.00 0.00 N ATOM 737 CA GLY A 76 9.890 -12.003 -10.061 1.00 0.00 C ATOM 738 C GLY A 76 8.361 -12.124 -10.215 1.00 0.00 C ATOM 739 O GLY A 76 7.741 -11.315 -10.887 1.00 0.00 O ATOM 0 H GLY A 76 11.364 -11.962 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.243 -11.233 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.341 -12.943 -10.378 1.00 0.00 H new ATOM 741 N ALA A 77 7.789 -13.083 -9.490 1.00 0.00 N ATOM 742 CA ALA A 77 6.330 -13.356 -9.494 1.00 0.00 C ATOM 743 C ALA A 77 5.445 -12.210 -8.956 1.00 0.00 C ATOM 744 O ALA A 77 4.464 -11.836 -9.583 1.00 0.00 O ATOM 745 CB ALA A 77 6.067 -14.651 -8.708 1.00 0.00 C ATOM 0 H ALA A 77 8.317 -13.703 -8.876 1.00 0.00 H new ATOM 0 HA ALA A 77 6.040 -13.457 -10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.998 -14.863 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.599 -15.477 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.418 -14.532 -7.683 1.00 0.00 H new ATOM 747 N MET A 78 5.862 -11.635 -7.829 1.00 0.00 N ATOM 748 CA MET A 78 5.159 -10.541 -7.122 1.00 0.00 C ATOM 749 C MET A 78 5.336 -9.130 -7.719 1.00 0.00 C ATOM 750 O MET A 78 4.562 -8.228 -7.417 1.00 0.00 O ATOM 751 CB MET A 78 5.637 -10.479 -5.673 1.00 0.00 C ATOM 752 CG MET A 78 5.252 -11.711 -4.846 1.00 0.00 C ATOM 753 SD MET A 78 5.847 -11.561 -3.119 1.00 0.00 S ATOM 754 CE MET A 78 4.743 -10.289 -2.532 1.00 0.00 C ATOM 0 H MET A 78 6.723 -11.919 -7.361 1.00 0.00 H new ATOM 0 HA MET A 78 4.103 -10.794 -7.220 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.721 -10.368 -5.661 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.221 -9.590 -5.200 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.169 -11.832 -4.851 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.675 -12.606 -5.303 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.308 -9.377 -2.339 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.982 -10.091 -3.287 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.263 -10.620 -1.611 1.00 0.00 H new ATOM 756 N SER A 79 6.439 -8.939 -8.447 1.00 0.00 N ATOM 757 CA SER A 79 6.895 -7.702 -9.134 1.00 0.00 C ATOM 758 C SER A 79 5.837 -6.687 -9.604 1.00 0.00 C ATOM 759 O SER A 79 6.074 -5.477 -9.519 1.00 0.00 O ATOM 760 CB SER A 79 7.770 -8.119 -10.314 1.00 0.00 C ATOM 761 OG SER A 79 8.426 -7.000 -10.931 1.00 0.00 O ATOM 0 H SER A 79 7.100 -9.703 -8.590 1.00 0.00 H new ATOM 0 HA SER A 79 7.423 -7.143 -8.362 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.519 -8.833 -9.973 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.156 -8.631 -11.055 1.00 0.00 H new ATOM 0 HG SER A 79 9.140 -6.675 -10.344 1.00 0.00 H new ATOM 764 N ALA A 80 4.651 -7.153 -10.010 1.00 0.00 N ATOM 765 CA ALA A 80 3.549 -6.303 -10.512 1.00 0.00 C ATOM 766 C ALA A 80 2.545 -5.738 -9.490 1.00 0.00 C ATOM 767 O ALA A 80 1.673 -4.944 -9.874 1.00 0.00 O ATOM 768 CB ALA A 80 2.817 -7.079 -11.604 1.00 0.00 C ATOM 0 H ALA A 80 4.419 -8.146 -10.002 1.00 0.00 H new ATOM 0 HA ALA A 80 4.037 -5.399 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.998 -6.475 -11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.511 -7.313 -12.412 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.419 -8.005 -11.188 1.00 0.00 H new ATOM 770 N LEU A 81 2.679 -6.052 -8.208 1.00 0.00 N ATOM 771 CA LEU A 81 1.728 -5.585 -7.162 1.00 0.00 C ATOM 772 C LEU A 81 1.915 -4.095 -6.793 1.00 0.00 C ATOM 773 O LEU A 81 2.926 -3.753 -6.166 1.00 0.00 O ATOM 774 CB LEU A 81 1.801 -6.445 -5.894 1.00 0.00 C ATOM 775 CG LEU A 81 1.638 -7.953 -6.139 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.809 -8.709 -4.832 1.00 0.00 C ATOM 777 CD2 LEU A 81 0.311 -8.317 -6.811 1.00 0.00 C ATOM 0 H LEU A 81 3.437 -6.632 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 81 0.739 -5.694 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.760 -6.270 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.026 -6.116 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 81 2.419 -8.250 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.692 -9.778 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.802 -8.515 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.055 -8.377 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.260 -9.396 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.517 -7.996 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.244 -7.818 -7.778 1.00 0.00 H new ATOM 779 N PRO A 82 0.945 -3.218 -7.095 1.00 0.00 N ATOM 780 CA PRO A 82 1.034 -1.771 -6.801 1.00 0.00 C ATOM 781 C PRO A 82 1.279 -1.469 -5.319 1.00 0.00 C ATOM 782 O PRO A 82 0.561 -1.948 -4.451 1.00 0.00 O ATOM 783 CB PRO A 82 -0.274 -1.167 -7.302 1.00 0.00 C ATOM 784 CG PRO A 82 -1.243 -2.340 -7.380 1.00 0.00 C ATOM 785 CD PRO A 82 -0.364 -3.545 -7.702 1.00 0.00 C ATOM 0 HA PRO A 82 1.897 -1.332 -7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.640 -0.397 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.144 -0.696 -8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.775 -2.478 -6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.996 -2.181 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.778 -4.462 -7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.276 -3.697 -8.778 1.00 0.00 H new ATOM 786 N VAL A 83 2.216 -0.556 -5.103 1.00 0.00 N ATOM 787 CA VAL A 83 2.666 -0.165 -3.756 1.00 0.00 C ATOM 788 C VAL A 83 2.425 1.330 -3.437 1.00 0.00 C ATOM 789 O VAL A 83 3.031 2.226 -4.014 1.00 0.00 O ATOM 790 CB VAL A 83 4.144 -0.515 -3.505 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.472 -0.413 -2.014 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.525 -1.945 -3.913 1.00 0.00 C ATOM 0 H VAL A 83 2.693 -0.058 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 83 2.046 -0.753 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 83 4.700 0.197 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.521 -0.664 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.285 0.604 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.844 -1.107 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.582 -2.113 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.925 -2.657 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.339 -2.081 -4.978 1.00 0.00 H new ATOM 794 N LEU A 84 1.635 1.511 -2.387 1.00 0.00 N ATOM 795 CA LEU A 84 1.271 2.820 -1.826 1.00 0.00 C ATOM 796 C LEU A 84 1.905 2.973 -0.445 1.00 0.00 C ATOM 797 O LEU A 84 1.600 2.243 0.500 1.00 0.00 O ATOM 798 CB LEU A 84 -0.246 2.955 -1.755 1.00 0.00 C ATOM 799 CG LEU A 84 -0.771 4.288 -1.219 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.392 5.463 -2.118 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.300 4.227 -1.187 1.00 0.00 C ATOM 0 H LEU A 84 1.213 0.732 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 84 1.647 3.615 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.653 2.801 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.634 2.154 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.333 4.440 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.787 6.387 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.694 5.532 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.811 5.310 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.694 5.170 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.678 4.055 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.618 3.412 -0.536 1.00 0.00 H new ATOM 803 N MET A 85 2.948 3.794 -0.420 1.00 0.00 N ATOM 804 CA MET A 85 3.725 4.105 0.797 1.00 0.00 C ATOM 805 C MET A 85 3.047 5.114 1.720 1.00 0.00 C ATOM 806 O MET A 85 2.908 6.291 1.406 1.00 0.00 O ATOM 807 CB MET A 85 5.127 4.566 0.391 1.00 0.00 C ATOM 808 CG MET A 85 6.035 3.400 -0.009 1.00 0.00 C ATOM 809 SD MET A 85 6.575 2.372 1.409 1.00 0.00 S ATOM 810 CE MET A 85 5.659 0.877 1.108 1.00 0.00 C ATOM 0 H MET A 85 3.291 4.275 -1.251 1.00 0.00 H new ATOM 0 HA MET A 85 3.791 3.191 1.386 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.049 5.264 -0.442 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.582 5.109 1.220 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.508 2.769 -0.725 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.915 3.793 -0.518 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.840 0.170 1.918 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.595 1.106 1.058 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.980 0.437 0.164 1.00 0.00 H new ATOM 812 N VAL A 86 2.562 4.579 2.836 1.00 0.00 N ATOM 813 CA VAL A 86 1.922 5.417 3.866 1.00 0.00 C ATOM 814 C VAL A 86 3.068 5.892 4.763 1.00 0.00 C ATOM 815 O VAL A 86 3.603 5.193 5.616 1.00 0.00 O ATOM 816 CB VAL A 86 0.829 4.746 4.698 1.00 0.00 C ATOM 817 CG1 VAL A 86 -0.055 5.864 5.233 1.00 0.00 C ATOM 818 CG2 VAL A 86 -0.065 3.781 3.908 1.00 0.00 C ATOM 0 H VAL A 86 2.595 3.584 3.057 1.00 0.00 H new ATOM 0 HA VAL A 86 1.382 6.222 3.368 1.00 0.00 H new ATOM 0 HB VAL A 86 1.318 4.152 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.856 5.437 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.543 6.538 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.486 6.418 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.812 3.350 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.564 4.323 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.546 2.984 3.483 1.00 0.00 H new ATOM 820 N THR A 87 3.489 7.092 4.412 1.00 0.00 N ATOM 821 CA THR A 87 4.628 7.773 5.037 1.00 0.00 C ATOM 822 C THR A 87 4.253 8.831 6.085 1.00 0.00 C ATOM 823 O THR A 87 3.269 9.552 5.958 1.00 0.00 O ATOM 824 CB THR A 87 5.633 8.290 3.975 1.00 0.00 C ATOM 825 OG1 THR A 87 6.537 9.219 4.561 1.00 0.00 O ATOM 826 CG2 THR A 87 4.997 8.832 2.695 1.00 0.00 C ATOM 0 H THR A 87 3.047 7.638 3.672 1.00 0.00 H new ATOM 0 HA THR A 87 5.138 7.009 5.624 1.00 0.00 H new ATOM 0 HB THR A 87 6.189 7.415 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.473 10.077 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.779 9.169 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.415 8.045 2.217 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.343 9.669 2.940 1.00 0.00 H new ATOM 829 N ALA A 88 5.015 8.769 7.171 1.00 0.00 N ATOM 830 CA ALA A 88 4.877 9.686 8.328 1.00 0.00 C ATOM 831 C ALA A 88 5.226 11.148 7.997 1.00 0.00 C ATOM 832 O ALA A 88 4.762 12.058 8.679 1.00 0.00 O ATOM 833 CB ALA A 88 5.765 9.173 9.465 1.00 0.00 C ATOM 0 H ALA A 88 5.757 8.079 7.287 1.00 0.00 H new ATOM 0 HA ALA A 88 3.828 9.690 8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.675 9.837 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.450 8.169 9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.803 9.148 9.133 1.00 0.00 H new ATOM 835 N GLU A 89 6.048 11.339 6.966 1.00 0.00 N ATOM 836 CA GLU A 89 6.510 12.649 6.482 1.00 0.00 C ATOM 837 C GLU A 89 6.924 12.600 5.016 1.00 0.00 C ATOM 838 O GLU A 89 7.711 11.747 4.600 1.00 0.00 O ATOM 839 CB GLU A 89 7.707 13.144 7.295 1.00 0.00 C ATOM 840 CG GLU A 89 7.286 14.051 8.456 1.00 0.00 C ATOM 841 CD GLU A 89 8.506 14.476 9.278 1.00 0.00 C ATOM 842 OE1 GLU A 89 8.842 13.723 10.213 1.00 0.00 O ATOM 843 OE2 GLU A 89 9.100 15.519 8.932 1.00 0.00 O ATOM 0 H GLU A 89 6.426 10.563 6.423 1.00 0.00 H new ATOM 0 HA GLU A 89 5.667 13.331 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.257 12.288 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.388 13.688 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.776 14.933 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.575 13.527 9.095 1.00 0.00 H new ATOM 845 N ALA A 90 6.335 13.495 4.229 1.00 0.00 N ATOM 846 CA ALA A 90 6.651 13.606 2.798 1.00 0.00 C ATOM 847 C ALA A 90 7.844 14.568 2.623 1.00 0.00 C ATOM 848 O ALA A 90 7.690 15.777 2.461 1.00 0.00 O ATOM 849 CB ALA A 90 5.401 14.072 2.031 1.00 0.00 C ATOM 0 H ALA A 90 5.633 14.159 4.554 1.00 0.00 H new ATOM 0 HA ALA A 90 6.940 12.639 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.635 14.154 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.598 13.348 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.083 15.044 2.409 1.00 0.00 H new ATOM 851 N LYS A 91 9.026 14.003 2.845 1.00 0.00 N ATOM 852 CA LYS A 91 10.304 14.750 2.743 1.00 0.00 C ATOM 853 C LYS A 91 11.070 14.250 1.517 1.00 0.00 C ATOM 854 O LYS A 91 11.169 13.050 1.270 1.00 0.00 O ATOM 855 CB LYS A 91 11.171 14.587 3.996 1.00 0.00 C ATOM 856 CG LYS A 91 10.453 15.043 5.267 1.00 0.00 C ATOM 857 CD LYS A 91 11.375 15.400 6.436 1.00 0.00 C ATOM 858 CE LYS A 91 12.277 14.263 6.922 1.00 0.00 C ATOM 859 NZ LYS A 91 12.984 14.718 8.138 1.00 0.00 N ATOM 0 H LYS A 91 9.140 13.022 3.100 1.00 0.00 H new ATOM 0 HA LYS A 91 10.072 15.811 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.460 13.541 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.090 15.161 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.840 15.912 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.774 14.252 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.003 16.240 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.762 15.739 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.684 13.374 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.993 13.989 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.603 13.958 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.557 15.556 7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.289 14.961 8.873 1.00 0.00 H new ATOM 864 N LYS A 92 11.626 15.203 0.767 1.00 0.00 N ATOM 865 CA LYS A 92 12.388 14.925 -0.469 1.00 0.00 C ATOM 866 C LYS A 92 13.205 13.614 -0.511 1.00 0.00 C ATOM 867 O LYS A 92 12.850 12.730 -1.285 1.00 0.00 O ATOM 868 CB LYS A 92 13.161 16.162 -0.963 1.00 0.00 C ATOM 869 CG LYS A 92 14.118 16.803 0.035 1.00 0.00 C ATOM 870 CD LYS A 92 15.515 16.154 0.004 1.00 0.00 C ATOM 871 CE LYS A 92 16.368 16.566 1.207 1.00 0.00 C ATOM 872 NZ LYS A 92 16.862 17.938 1.043 1.00 0.00 N ATOM 0 H LYS A 92 11.565 16.196 0.994 1.00 0.00 H new ATOM 0 HA LYS A 92 11.612 14.710 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.730 15.879 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.438 16.915 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.209 17.867 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.703 16.719 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.410 15.069 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.026 16.438 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.778 16.493 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.209 15.881 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.438 18.200 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.442 17.997 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.056 18.590 0.963 1.00 0.00 H new ATOM 877 N GLU A 93 14.052 13.368 0.493 1.00 0.00 N ATOM 878 CA GLU A 93 14.882 12.144 0.528 1.00 0.00 C ATOM 879 C GLU A 93 14.110 10.812 0.631 1.00 0.00 C ATOM 880 O GLU A 93 14.377 9.911 -0.163 1.00 0.00 O ATOM 881 CB GLU A 93 16.100 12.244 1.456 1.00 0.00 C ATOM 882 CG GLU A 93 15.829 12.501 2.950 1.00 0.00 C ATOM 883 CD GLU A 93 15.285 11.280 3.685 1.00 0.00 C ATOM 884 OE1 GLU A 93 16.000 10.253 3.720 1.00 0.00 O ATOM 885 OE2 GLU A 93 14.145 11.397 4.170 1.00 0.00 O ATOM 0 H GLU A 93 14.186 13.990 1.290 1.00 0.00 H new ATOM 0 HA GLU A 93 15.298 12.098 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.667 11.317 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.741 13.045 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.754 12.823 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.118 13.321 3.047 1.00 0.00 H new ATOM 887 N ASN A 94 13.065 10.736 1.473 1.00 0.00 N ATOM 888 CA ASN A 94 12.280 9.490 1.555 1.00 0.00 C ATOM 889 C ASN A 94 11.375 9.299 0.321 1.00 0.00 C ATOM 890 O ASN A 94 11.205 8.176 -0.133 1.00 0.00 O ATOM 891 CB ASN A 94 11.589 9.234 2.912 1.00 0.00 C ATOM 892 CG ASN A 94 10.449 10.154 3.361 1.00 0.00 C ATOM 893 OD1 ASN A 94 10.332 11.319 3.034 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.565 9.597 4.155 1.00 0.00 N ATOM 0 H ASN A 94 12.752 11.490 2.085 1.00 0.00 H new ATOM 0 HA ASN A 94 13.011 8.682 1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.200 8.216 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.359 9.267 3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.775 10.142 4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.668 8.619 4.426 1.00 0.00 H new ATOM 898 N ILE A 95 10.924 10.413 -0.265 1.00 0.00 N ATOM 899 CA ILE A 95 10.152 10.421 -1.531 1.00 0.00 C ATOM 900 C ILE A 95 11.040 9.806 -2.638 1.00 0.00 C ATOM 901 O ILE A 95 10.644 8.833 -3.285 1.00 0.00 O ATOM 902 CB ILE A 95 9.702 11.858 -1.856 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.716 12.363 -0.795 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.116 11.977 -3.278 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.475 13.882 -0.847 1.00 0.00 C ATOM 0 H ILE A 95 11.080 11.344 0.121 1.00 0.00 H new ATOM 0 HA ILE A 95 9.245 9.822 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 95 10.586 12.495 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.764 11.848 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.092 12.097 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.813 13.008 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.871 11.685 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.250 11.322 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.767 14.165 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.418 14.406 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.069 14.153 -1.822 1.00 0.00 H new ATOM 907 N ILE A 96 12.265 10.320 -2.746 1.00 0.00 N ATOM 908 CA ILE A 96 13.302 9.865 -3.694 1.00 0.00 C ATOM 909 C ILE A 96 13.521 8.342 -3.552 1.00 0.00 C ATOM 910 O ILE A 96 13.218 7.591 -4.476 1.00 0.00 O ATOM 911 CB ILE A 96 14.580 10.723 -3.496 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.315 12.156 -3.977 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.822 10.144 -4.186 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.309 13.190 -3.431 1.00 0.00 C ATOM 0 H ILE A 96 12.581 11.092 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 96 12.987 10.014 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 96 14.804 10.719 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.348 12.175 -5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.306 12.446 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.676 10.796 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 96 16.031 9.152 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.642 10.072 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.055 14.178 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.260 13.202 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.318 12.926 -3.746 1.00 0.00 H new ATOM 916 N ALA A 97 13.800 7.923 -2.314 1.00 0.00 N ATOM 917 CA ALA A 97 14.021 6.499 -1.953 1.00 0.00 C ATOM 918 C ALA A 97 12.849 5.595 -2.378 1.00 0.00 C ATOM 919 O ALA A 97 13.042 4.632 -3.124 1.00 0.00 O ATOM 920 CB ALA A 97 14.249 6.390 -0.441 1.00 0.00 C ATOM 0 H ALA A 97 13.882 8.559 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 97 14.901 6.151 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.412 5.346 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.124 6.977 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.374 6.769 0.087 1.00 0.00 H new ATOM 922 N ALA A 98 11.637 6.020 -2.039 1.00 0.00 N ATOM 923 CA ALA A 98 10.375 5.318 -2.360 1.00 0.00 C ATOM 924 C ALA A 98 10.178 5.100 -3.862 1.00 0.00 C ATOM 925 O ALA A 98 10.120 3.958 -4.317 1.00 0.00 O ATOM 926 CB ALA A 98 9.193 6.098 -1.768 1.00 0.00 C ATOM 0 H ALA A 98 11.489 6.885 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 98 10.429 4.325 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.262 5.582 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.307 6.165 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.170 7.101 -2.193 1.00 0.00 H new ATOM 928 N ALA A 99 10.228 6.196 -4.620 1.00 0.00 N ATOM 929 CA ALA A 99 10.053 6.184 -6.088 1.00 0.00 C ATOM 930 C ALA A 99 11.087 5.282 -6.793 1.00 0.00 C ATOM 931 O ALA A 99 10.712 4.320 -7.456 1.00 0.00 O ATOM 932 CB ALA A 99 10.137 7.622 -6.608 1.00 0.00 C ATOM 0 H ALA A 99 10.392 7.127 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 99 9.074 5.763 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.009 7.626 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.352 8.222 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.110 8.044 -6.356 1.00 0.00 H new ATOM 934 N GLN A 100 12.344 5.447 -6.390 1.00 0.00 N ATOM 935 CA GLN A 100 13.489 4.696 -6.948 1.00 0.00 C ATOM 936 C GLN A 100 13.458 3.183 -6.696 1.00 0.00 C ATOM 937 O GLN A 100 13.914 2.409 -7.528 1.00 0.00 O ATOM 938 CB GLN A 100 14.803 5.305 -6.451 1.00 0.00 C ATOM 939 CG GLN A 100 14.972 6.710 -7.057 1.00 0.00 C ATOM 940 CD GLN A 100 16.241 7.416 -6.569 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.612 7.420 -5.406 1.00 0.00 O ATOM 942 NE2 GLN A 100 16.902 8.074 -7.489 1.00 0.00 N ATOM 0 H GLN A 100 12.610 6.109 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 100 13.410 4.797 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.802 5.363 -5.363 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.642 4.670 -6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.000 6.631 -8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.103 7.317 -6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 100 16.579 8.061 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 100 17.739 8.599 -7.238 1.00 0.00 H new ATOM 946 N ALA A 101 12.926 2.789 -5.534 1.00 0.00 N ATOM 947 CA ALA A 101 12.792 1.370 -5.170 1.00 0.00 C ATOM 948 C ALA A 101 11.601 0.646 -5.836 1.00 0.00 C ATOM 949 O ALA A 101 11.551 -0.589 -5.798 1.00 0.00 O ATOM 950 CB ALA A 101 12.736 1.257 -3.646 1.00 0.00 C ATOM 0 H ALA A 101 12.579 3.435 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 101 13.669 0.853 -5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.637 0.209 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.652 1.664 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.880 1.817 -3.271 1.00 0.00 H new ATOM 952 N GLY A 102 10.681 1.400 -6.432 1.00 0.00 N ATOM 953 CA GLY A 102 9.491 0.850 -7.121 1.00 0.00 C ATOM 954 C GLY A 102 8.105 1.370 -6.672 1.00 0.00 C ATOM 955 O GLY A 102 7.103 0.960 -7.255 1.00 0.00 O ATOM 0 H GLY A 102 10.730 2.419 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.597 1.050 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.501 -0.233 -6.997 1.00 0.00 H new ATOM 957 N ALA A 103 8.024 2.298 -5.708 1.00 0.00 N ATOM 958 CA ALA A 103 6.732 2.836 -5.215 1.00 0.00 C ATOM 959 C ALA A 103 5.821 3.434 -6.295 1.00 0.00 C ATOM 960 O ALA A 103 6.133 4.440 -6.927 1.00 0.00 O ATOM 961 CB ALA A 103 6.939 3.882 -4.120 1.00 0.00 C ATOM 0 H ALA A 103 8.840 2.699 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 103 6.223 1.957 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.971 4.253 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.466 3.430 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.528 4.710 -4.514 1.00 0.00 H new ATOM 963 N SER A 104 4.630 2.828 -6.380 1.00 0.00 N ATOM 964 CA SER A 104 3.556 3.253 -7.301 1.00 0.00 C ATOM 965 C SER A 104 3.026 4.665 -6.972 1.00 0.00 C ATOM 966 O SER A 104 2.492 5.358 -7.833 1.00 0.00 O ATOM 967 CB SER A 104 2.355 2.300 -7.212 1.00 0.00 C ATOM 968 OG SER A 104 2.742 0.949 -7.488 1.00 0.00 O ATOM 0 H SER A 104 4.378 2.022 -5.809 1.00 0.00 H new ATOM 0 HA SER A 104 3.999 3.246 -8.297 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.915 2.358 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.587 2.612 -7.919 1.00 0.00 H new ATOM 0 HG SER A 104 2.243 0.618 -8.264 1.00 0.00 H new ATOM 971 N GLY A 105 3.044 4.968 -5.679 1.00 0.00 N ATOM 972 CA GLY A 105 2.608 6.255 -5.101 1.00 0.00 C ATOM 973 C GLY A 105 2.829 6.252 -3.585 1.00 0.00 C ATOM 974 O GLY A 105 3.220 5.239 -2.989 1.00 0.00 O ATOM 0 H GLY A 105 3.372 4.310 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.165 7.074 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.554 6.424 -5.323 1.00 0.00 H new ATOM 976 N TYR A 106 2.611 7.412 -2.978 1.00 0.00 N ATOM 977 CA TYR A 106 2.756 7.587 -1.517 1.00 0.00 C ATOM 978 C TYR A 106 1.714 8.558 -0.934 1.00 0.00 C ATOM 979 O TYR A 106 1.413 9.587 -1.538 1.00 0.00 O ATOM 980 CB TYR A 106 4.190 8.011 -1.133 1.00 0.00 C ATOM 981 CG TYR A 106 4.580 9.448 -1.526 1.00 0.00 C ATOM 982 CD1 TYR A 106 5.147 9.684 -2.787 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.374 10.489 -0.586 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.510 11.000 -3.140 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.736 11.797 -0.933 1.00 0.00 C ATOM 986 CZ TYR A 106 5.303 12.041 -2.201 1.00 0.00 C ATOM 987 OH TYR A 106 5.675 13.304 -2.523 1.00 0.00 O ATOM 0 H TYR A 106 2.330 8.260 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 106 2.566 6.611 -1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.307 7.903 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.892 7.321 -1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.303 8.869 -3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 106 3.945 10.277 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.938 11.211 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.583 12.609 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 106 5.468 13.906 -1.778 1.00 0.00 H new ATOM 990 N VAL A 107 1.219 8.195 0.236 1.00 0.00 N ATOM 991 CA VAL A 107 0.236 9.012 0.981 1.00 0.00 C ATOM 992 C VAL A 107 0.784 9.348 2.378 1.00 0.00 C ATOM 993 O VAL A 107 1.397 8.505 3.038 1.00 0.00 O ATOM 994 CB VAL A 107 -1.172 8.375 0.942 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.439 7.301 2.003 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.217 9.473 1.058 1.00 0.00 C ATOM 0 H VAL A 107 1.477 7.329 0.709 1.00 0.00 H new ATOM 0 HA VAL A 107 0.094 9.975 0.491 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.231 7.853 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.454 6.920 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.728 6.484 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.325 7.735 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.213 9.031 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.082 10.006 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.107 10.170 0.227 1.00 0.00 H new ATOM 998 N VAL A 108 0.772 10.637 2.676 1.00 0.00 N ATOM 999 CA VAL A 108 1.252 11.128 3.974 1.00 0.00 C ATOM 1000 C VAL A 108 0.123 11.094 5.025 1.00 0.00 C ATOM 1001 O VAL A 108 -1.023 11.434 4.732 1.00 0.00 O ATOM 1002 CB VAL A 108 1.947 12.501 3.823 1.00 0.00 C ATOM 1003 CG1 VAL A 108 0.977 13.685 3.650 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.886 12.759 4.997 1.00 0.00 C ATOM 0 H VAL A 108 0.438 11.366 2.045 1.00 0.00 H new ATOM 0 HA VAL A 108 2.022 10.456 4.354 1.00 0.00 H new ATOM 0 HB VAL A 108 2.516 12.440 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.546 14.610 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.373 13.533 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.325 13.751 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.366 13.730 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.317 12.752 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.648 11.980 5.032 1.00 0.00 H new ATOM 1006 N LYS A 109 0.462 10.560 6.187 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.488 10.442 7.303 1.00 0.00 C ATOM 1008 C LYS A 109 -0.413 11.664 8.243 1.00 0.00 C ATOM 1009 O LYS A 109 0.691 12.152 8.497 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.303 9.092 8.026 1.00 0.00 C ATOM 1011 CG LYS A 109 1.032 8.929 8.761 1.00 0.00 C ATOM 1012 CD LYS A 109 1.154 7.534 9.378 1.00 0.00 C ATOM 1013 CE LYS A 109 2.101 6.658 8.556 1.00 0.00 C ATOM 1014 NZ LYS A 109 3.150 6.175 9.467 1.00 0.00 N ATOM 0 H LYS A 109 1.393 10.196 6.392 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.503 10.446 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.114 8.967 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.399 8.289 7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.856 9.096 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.115 9.684 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.522 7.615 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.171 7.066 9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.562 5.821 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.537 7.228 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.672 5.397 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.806 6.952 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.715 5.834 10.348 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.559 12.196 8.704 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.930 11.727 8.395 1.00 0.00 C ATOM 1021 C PRO A 110 -3.461 12.132 7.013 1.00 0.00 C ATOM 1022 O PRO A 110 -3.324 13.260 6.558 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.789 12.307 9.524 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.072 13.599 9.898 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.596 13.257 9.726 1.00 0.00 C ATOM 0 HA PRO A 110 -2.951 10.638 8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.810 12.497 9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.851 11.624 10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.370 14.424 9.251 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.297 13.900 10.921 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.025 14.129 9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.160 12.915 10.664 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.138 11.151 6.422 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.776 11.242 5.091 1.00 0.00 C ATOM 1028 C PHE A 111 -6.246 10.823 5.241 1.00 0.00 C ATOM 1029 O PHE A 111 -6.571 9.949 6.038 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.043 10.384 4.056 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.065 8.878 4.318 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.227 8.332 5.315 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.957 8.065 3.588 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.324 6.959 5.611 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -5.032 6.688 3.865 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.218 6.144 4.895 1.00 0.00 C ATOM 0 H PHE A 111 -4.268 10.239 6.861 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.722 12.266 4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.483 10.572 3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.005 10.712 4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.523 8.958 5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.580 8.498 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.710 6.531 6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.700 6.052 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.287 5.092 5.130 1.00 0.00 H new ATOM 1038 N THR A 112 -7.115 11.426 4.426 1.00 0.00 N ATOM 1039 CA THR A 112 -8.566 11.136 4.450 1.00 0.00 C ATOM 1040 C THR A 112 -8.935 10.181 3.314 1.00 0.00 C ATOM 1041 O THR A 112 -8.112 9.876 2.449 1.00 0.00 O ATOM 1042 CB THR A 112 -9.404 12.421 4.299 1.00 0.00 C ATOM 1043 OG1 THR A 112 -9.264 12.948 2.978 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.094 13.471 5.373 1.00 0.00 C ATOM 0 H THR A 112 -6.844 12.124 3.734 1.00 0.00 H new ATOM 0 HA THR A 112 -8.786 10.680 5.415 1.00 0.00 H new ATOM 0 HB THR A 112 -10.448 12.149 4.455 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.313 13.049 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.716 14.351 5.212 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.302 13.055 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.043 13.754 5.313 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.199 9.753 3.304 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.745 8.899 2.221 1.00 0.00 C ATOM 1049 C ALA A 113 -10.502 9.534 0.833 1.00 0.00 C ATOM 1050 O ALA A 113 -9.984 8.872 -0.064 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.240 8.654 2.460 1.00 0.00 C ATOM 0 H ALA A 113 -10.875 9.980 4.033 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.224 7.941 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.638 8.026 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.378 8.154 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.768 9.607 2.469 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.627 10.864 0.775 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.410 11.664 -0.439 1.00 0.00 C ATOM 1055 C ALA A 114 -8.933 11.670 -0.865 1.00 0.00 C ATOM 1056 O ALA A 114 -8.635 11.321 -2.007 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.919 13.094 -0.199 1.00 0.00 C ATOM 0 H ALA A 114 -10.887 11.427 1.585 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.970 11.211 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.761 13.692 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.983 13.067 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.375 13.539 0.634 1.00 0.00 H new ATOM 1059 N THR A 115 -8.023 11.919 0.089 1.00 0.00 N ATOM 1060 CA THR A 115 -6.558 11.907 -0.169 1.00 0.00 C ATOM 1061 C THR A 115 -6.152 10.535 -0.710 1.00 0.00 C ATOM 1062 O THR A 115 -5.594 10.431 -1.804 1.00 0.00 O ATOM 1063 CB THR A 115 -5.744 12.172 1.105 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.421 13.070 2.001 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.369 12.753 0.753 1.00 0.00 C ATOM 0 H THR A 115 -8.269 12.133 1.055 1.00 0.00 H new ATOM 0 HA THR A 115 -6.349 12.699 -0.888 1.00 0.00 H new ATOM 0 HB THR A 115 -5.623 11.213 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.773 13.461 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.806 12.935 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.825 12.046 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.498 13.692 0.214 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.632 9.495 -0.018 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.412 8.080 -0.367 1.00 0.00 C ATOM 1070 C LEU A 116 -6.886 7.774 -1.801 1.00 0.00 C ATOM 1071 O LEU A 116 -6.081 7.396 -2.649 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.127 7.204 0.679 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.007 5.691 0.442 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.557 5.230 0.296 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.677 4.957 1.603 1.00 0.00 C ATOM 0 H LEU A 116 -7.199 9.613 0.822 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.345 7.857 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.723 7.436 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.183 7.472 0.696 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.504 5.457 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.533 4.153 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.097 5.738 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.006 5.470 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.599 3.881 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.183 5.225 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.728 5.241 1.655 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.137 8.148 -2.090 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.777 7.944 -3.406 1.00 0.00 C ATOM 1079 C GLU A 117 -7.969 8.567 -4.554 1.00 0.00 C ATOM 1080 O GLU A 117 -7.710 7.900 -5.551 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.203 8.486 -3.398 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.067 7.764 -4.443 1.00 0.00 C ATOM 1083 CD GLU A 117 -11.642 8.754 -5.448 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -10.899 9.134 -6.374 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.781 9.211 -5.210 1.00 0.00 O ATOM 0 H GLU A 117 -8.746 8.607 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.806 6.869 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.640 8.358 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.191 9.556 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.467 7.017 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.878 7.232 -3.946 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.488 9.792 -4.342 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.667 10.515 -5.348 1.00 0.00 C ATOM 1089 C GLU A 118 -5.402 9.744 -5.749 1.00 0.00 C ATOM 1090 O GLU A 118 -5.167 9.516 -6.935 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.300 11.921 -4.850 1.00 0.00 C ATOM 1092 CG GLU A 118 -7.541 12.811 -4.749 1.00 0.00 C ATOM 1093 CD GLU A 118 -7.166 14.270 -4.473 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -6.953 14.586 -3.281 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -7.111 15.033 -5.455 1.00 0.00 O ATOM 0 H GLU A 118 -7.647 10.317 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.284 10.604 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.819 11.851 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.578 12.374 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.110 12.750 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.189 12.444 -3.953 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.727 9.190 -4.738 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.500 8.378 -4.919 1.00 0.00 C ATOM 1099 C LYS A 119 -3.824 7.084 -5.707 1.00 0.00 C ATOM 1100 O LYS A 119 -3.175 6.801 -6.716 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.908 8.009 -3.554 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.611 9.220 -2.679 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.464 10.093 -3.207 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.358 11.371 -2.371 1.00 0.00 C ATOM 1105 NZ LYS A 119 -0.096 12.045 -2.678 1.00 0.00 N ATOM 0 H LYS A 119 -5.010 9.287 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.775 8.967 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.603 7.352 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.988 7.444 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.512 9.828 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.364 8.879 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.525 9.541 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.638 10.345 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.198 12.031 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.406 11.130 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.058 12.955 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.699 11.448 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.031 12.211 -3.703 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.916 6.430 -5.318 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.417 5.198 -5.958 1.00 0.00 C ATOM 1112 C LEU A 120 -5.610 5.389 -7.477 1.00 0.00 C ATOM 1113 O LEU A 120 -5.022 4.658 -8.265 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.742 4.763 -5.323 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.624 4.397 -3.834 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.016 4.155 -3.251 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.739 3.180 -3.612 1.00 0.00 C ATOM 0 H LEU A 120 -5.493 6.740 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.668 4.421 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.469 5.568 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.132 3.904 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.152 5.235 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.929 3.896 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.616 5.059 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.498 3.337 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.685 2.959 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.159 2.324 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.738 3.384 -3.991 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.293 6.474 -7.838 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.558 6.868 -9.235 1.00 0.00 C ATOM 1121 C ASN A 121 -5.262 6.957 -10.064 1.00 0.00 C ATOM 1122 O ASN A 121 -5.093 6.253 -11.049 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.223 8.244 -9.295 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.614 8.310 -8.662 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.255 7.334 -8.300 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.062 9.528 -8.460 1.00 0.00 N ATOM 0 H ASN A 121 -6.689 7.123 -7.158 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.211 6.099 -9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.577 8.967 -8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.299 8.551 -10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -9.958 9.671 -7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.514 10.331 -8.769 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.330 7.767 -9.545 1.00 0.00 N ATOM 1131 CA LYS A 122 -2.998 8.020 -10.135 1.00 0.00 C ATOM 1132 C LYS A 122 -2.254 6.703 -10.445 1.00 0.00 C ATOM 1133 O LYS A 122 -1.881 6.447 -11.595 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.249 8.916 -9.149 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.097 9.680 -9.797 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.545 10.781 -8.886 1.00 0.00 C ATOM 1137 CE LYS A 122 0.208 10.269 -7.660 1.00 0.00 C ATOM 1138 NZ LYS A 122 1.403 9.507 -8.069 1.00 0.00 N ATOM 0 H LYS A 122 -4.481 8.282 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.079 8.521 -11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.948 9.627 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.860 8.305 -8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.297 8.983 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.438 10.123 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.123 11.416 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.372 11.408 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.503 11.108 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.447 9.636 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.026 9.370 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.113 8.580 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.914 10.032 -8.807 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.269 5.808 -9.466 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.666 4.456 -9.555 1.00 0.00 C ATOM 1145 C ILE A 123 -2.330 3.638 -10.679 1.00 0.00 C ATOM 1146 O ILE A 123 -1.661 3.199 -11.609 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.744 3.785 -8.171 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -0.864 4.594 -7.206 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.261 2.325 -8.210 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.122 4.367 -5.709 1.00 0.00 C ATOM 0 H ILE A 123 -2.706 5.991 -8.563 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.612 4.521 -9.827 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.783 3.770 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.180 4.359 -7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.002 5.654 -7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.333 1.891 -7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.883 1.754 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.224 2.294 -8.545 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.444 4.989 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.153 4.632 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.953 3.318 -5.466 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.668 3.577 -10.635 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.477 2.849 -11.638 1.00 0.00 C ATOM 1154 C PHE A 124 -4.196 3.321 -13.068 1.00 0.00 C ATOM 1155 O PHE A 124 -3.827 2.497 -13.904 1.00 0.00 O ATOM 1156 CB PHE A 124 -5.985 2.969 -11.345 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.439 2.309 -10.031 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.682 1.283 -9.430 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.512 2.923 -9.336 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.937 0.916 -8.092 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.777 2.555 -7.999 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.955 1.577 -7.384 1.00 0.00 C ATOM 0 H PHE A 124 -4.224 4.027 -9.908 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.181 1.803 -11.560 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.253 4.025 -11.317 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.538 2.522 -12.171 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.909 0.780 -9.992 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.122 3.667 -9.826 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.358 0.137 -7.618 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.591 3.010 -7.455 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.116 1.334 -6.344 1.00 0.00 H new ATOM 1164 N GLU A 125 -4.124 4.635 -13.231 1.00 0.00 N ATOM 1165 CA GLU A 125 -3.854 5.292 -14.527 1.00 0.00 C ATOM 1166 C GLU A 125 -2.527 4.813 -15.151 1.00 0.00 C ATOM 1167 O GLU A 125 -2.517 4.383 -16.298 1.00 0.00 O ATOM 1168 CB GLU A 125 -3.914 6.818 -14.366 1.00 0.00 C ATOM 1169 CG GLU A 125 -5.361 7.266 -14.092 1.00 0.00 C ATOM 1170 CD GLU A 125 -5.477 8.745 -13.722 1.00 0.00 C ATOM 1171 OE1 GLU A 125 -5.190 9.076 -12.554 1.00 0.00 O ATOM 1172 OE2 GLU A 125 -5.911 9.513 -14.610 1.00 0.00 O ATOM 0 H GLU A 125 -4.252 5.294 -12.463 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.633 5.001 -15.231 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -3.267 7.130 -13.546 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -3.540 7.301 -15.269 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -5.968 7.071 -14.976 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -5.774 6.663 -13.283 1.00 0.00 H new ATOM 1174 N LYS A 126 -1.502 4.670 -14.312 1.00 0.00 N ATOM 1175 CA LYS A 126 -0.174 4.162 -14.717 1.00 0.00 C ATOM 1176 C LYS A 126 -0.257 2.698 -15.191 1.00 0.00 C ATOM 1177 O LYS A 126 0.195 2.350 -16.277 1.00 0.00 O ATOM 1178 CB LYS A 126 0.833 4.191 -13.553 1.00 0.00 C ATOM 1179 CG LYS A 126 1.263 5.559 -13.050 1.00 0.00 C ATOM 1180 CD LYS A 126 2.475 5.332 -12.132 1.00 0.00 C ATOM 1181 CE LYS A 126 3.135 6.628 -11.643 1.00 0.00 C ATOM 1182 NZ LYS A 126 2.549 7.075 -10.378 1.00 0.00 N ATOM 0 H LYS A 126 -1.562 4.903 -13.321 1.00 0.00 H new ATOM 0 HA LYS A 126 0.158 4.817 -15.522 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.400 3.643 -12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.726 3.648 -13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.525 6.212 -13.882 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.452 6.044 -12.507 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.159 4.748 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 126 3.216 4.737 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 126 4.206 6.468 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 126 3.017 7.406 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 3.037 7.934 -10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.539 7.282 -10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 2.654 6.327 -9.663 1.00 0.00 H new ATOM 1187 N LEU A 127 -0.895 1.880 -14.358 1.00 0.00 N ATOM 1188 CA LEU A 127 -1.109 0.427 -14.554 1.00 0.00 C ATOM 1189 C LEU A 127 -2.086 0.048 -15.690 1.00 0.00 C ATOM 1190 O LEU A 127 -2.312 -1.137 -15.936 1.00 0.00 O ATOM 1191 CB LEU A 127 -1.645 -0.189 -13.253 1.00 0.00 C ATOM 1192 CG LEU A 127 -0.714 -0.013 -12.053 1.00 0.00 C ATOM 1193 CD1 LEU A 127 -1.485 -0.388 -10.785 1.00 0.00 C ATOM 1194 CD2 LEU A 127 0.576 -0.840 -12.169 1.00 0.00 C ATOM 0 H LEU A 127 -1.300 2.216 -13.484 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.132 0.037 -14.839 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.610 0.261 -13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.820 -1.253 -13.412 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.397 1.029 -12.016 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.837 -0.269 -9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.354 0.262 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.814 -1.425 -10.853 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.196 -0.673 -11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 127 0.325 -1.898 -12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.124 -0.536 -13.061 1.00 0.00 H new ATOM 1196 N GLY A 128 -2.753 1.050 -16.267 1.00 0.00 N ATOM 1197 CA GLY A 128 -3.763 0.860 -17.329 1.00 0.00 C ATOM 1198 C GLY A 128 -5.203 0.990 -16.810 1.00 0.00 C ATOM 1199 O GLY A 128 -6.097 1.392 -17.558 1.00 0.00 O ATOM 0 H GLY A 128 -2.611 2.028 -16.013 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -3.598 1.595 -18.117 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -3.631 -0.124 -17.778 1.00 0.00 H new ATOM 1201 N MET A 129 -5.413 0.668 -15.525 1.00 0.00 N ATOM 1202 CA MET A 129 -6.737 0.744 -14.861 1.00 0.00 C ATOM 1203 C MET A 129 -7.274 2.158 -14.562 1.00 0.00 C ATOM 1204 O MET A 129 -8.393 2.247 -13.997 1.00 0.00 O ATOM 1205 CB MET A 129 -6.766 -0.119 -13.585 1.00 0.00 C ATOM 1206 CG MET A 129 -6.820 -1.618 -13.894 1.00 0.00 C ATOM 1207 SD MET A 129 -7.443 -2.629 -12.500 1.00 0.00 S ATOM 1208 CE MET A 129 -6.145 -2.471 -11.303 1.00 0.00 C ATOM 1209 OXT MET A 129 -6.563 3.140 -14.849 1.00 0.00 O ATOM 0 H MET A 129 -4.669 0.345 -14.907 1.00 0.00 H new ATOM 0 HA MET A 129 -7.422 0.346 -15.610 1.00 0.00 H new ATOM 0 HB2 MET A 129 -5.881 0.094 -12.986 1.00 0.00 H new ATOM 0 HB3 MET A 129 -7.632 0.156 -12.983 1.00 0.00 H new ATOM 0 HG2 MET A 129 -7.458 -1.779 -14.763 1.00 0.00 H new ATOM 0 HG3 MET A 129 -5.821 -1.962 -14.164 1.00 0.00 H new ATOM 0 HE1 MET A 129 -6.403 -3.040 -10.410 1.00 0.00 H new ATOM 0 HE2 MET A 129 -5.215 -2.855 -11.722 1.00 0.00 H new ATOM 0 HE3 MET A 129 -6.018 -1.421 -11.040 1.00 0.00 H new TER 1211 MET A 129