USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 736 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: X 25 SER OG : rot 180:sc= -0.0217 USER MOD Set 1.2: X 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 24 LYS NZ :NH3+ -164:sc= 2.42 (180deg=1.29) USER MOD Set 2.2: X 54 TYR OH : rot 180:sc= 0.98 USER MOD Single : X 1 GLU N :NH3+ -175:sc= 1.11 (180deg=0.999) USER MOD Single : X 8 THR OG1 : rot -130:sc= -0.61 USER MOD Single : X 10 TYR OH : rot -125:sc= 1.24 USER MOD Single : X 12 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : X 14 LYS NZ :NH3+ -175:sc= 0.25 (180deg=0.192) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= 0 USER MOD Single : X 20 LYS NZ :NH3+ -174:sc= 0.687 (180deg=0.661) USER MOD Single : X 21 SER OG : rot 180:sc= 0 USER MOD Single : X 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 26 SER OG : rot 120:sc= -0.649 USER MOD Single : X 32 LYS NZ :NH3+ -146:sc= -0.301! (180deg=-1.12) USER MOD Single : X 33 LYS NZ :NH3+ -121:sc= 0.828 (180deg=-0.26) USER MOD Single : X 34 THR OG1 : rot 85:sc= 1.29 USER MOD Single : X 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 38 THR OG1 : rot 102:sc= 0.0662 USER MOD Single : X 40 TYR OH : rot 67:sc= 0.974 USER MOD Single : X 42 TYR OH : rot -140:sc= -1.65! USER MOD Single : X 48 THR OG1 : rot 180:sc= -2.27! USER MOD Single : X 50 ASN : amide:sc= -0.353! X(o=-0.35!,f=0) USER MOD Single : X 51 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.18) USER MOD Single : X 56 ASN : amide:sc= -2.69! C(o=-2.7!,f=-4.2!) USER MOD Single : X 65 GLN : amide:sc= 0.843 K(o=0.84,f=-4.9!) USER MOD Single : X 67 LYS NZ :NH3+ -159:sc= 1.27 (180deg=0.342) USER MOD Single : X 73 ASN :FLIP amide:sc= -0.202 F(o=-1.7,f=-0.2) USER MOD Single : X 75 THR OG1 : rot 119:sc= -3.35! USER MOD Single : X 77 ASN : amide:sc= -3.74! C(o=-3.7!,f=-10!) USER MOD Single : X 78 TYR OH : rot 180:sc= 0 USER MOD Single : X 80 THR OG1 : rot 66:sc= 0.782 USER MOD Single : X 85 LYS NZ :NH3+ -167:sc= -0.0331 (180deg=-0.223) USER MOD Single : X 89 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : X 93 THR OG1 : rot 40:sc= 0.126 USER MOD Single : X 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 1 -14.430 5.868 5.573 1.00 0.00 N ATOM 2 CA GLU X 1 -15.441 6.396 4.663 1.00 0.00 C ATOM 3 C GLU X 1 -15.352 5.685 3.322 1.00 0.00 C ATOM 4 O GLU X 1 -14.346 5.039 3.033 1.00 0.00 O ATOM 5 CB GLU X 1 -15.328 7.928 4.471 1.00 0.00 C ATOM 6 CG GLU X 1 -15.681 8.779 5.703 1.00 0.00 C ATOM 7 CD GLU X 1 -14.641 8.762 6.795 1.00 0.00 C ATOM 8 OE1 GLU X 1 -14.514 7.743 7.500 1.00 0.00 O ATOM 9 OE2 GLU X 1 -13.936 9.778 6.971 1.00 0.00 O ATOM 0 H1 GLU X 1 -14.551 6.297 6.513 1.00 0.00 H new ATOM 0 H2 GLU X 1 -14.535 4.836 5.647 1.00 0.00 H new ATOM 0 H3 GLU X 1 -13.483 6.094 5.208 1.00 0.00 H new ATOM 0 HA GLU X 1 -16.415 6.207 5.115 1.00 0.00 H new ATOM 0 HB2 GLU X 1 -14.308 8.164 4.169 1.00 0.00 H new ATOM 0 HB3 GLU X 1 -15.980 8.222 3.649 1.00 0.00 H new ATOM 0 HG2 GLU X 1 -15.837 9.809 5.384 1.00 0.00 H new ATOM 0 HG3 GLU X 1 -16.627 8.425 6.114 1.00 0.00 H new ATOM 18 N GLU X 2 -16.384 5.827 2.495 1.00 0.00 N ATOM 19 CA GLU X 2 -16.446 5.162 1.182 1.00 0.00 C ATOM 20 C GLU X 2 -15.680 5.923 0.092 1.00 0.00 C ATOM 21 O GLU X 2 -15.727 5.569 -1.085 1.00 0.00 O ATOM 22 CB GLU X 2 -17.899 4.912 0.765 1.00 0.00 C ATOM 23 CG GLU X 2 -18.773 6.148 0.765 1.00 0.00 C ATOM 24 CD GLU X 2 -20.200 5.835 0.445 1.00 0.00 C ATOM 25 OE1 GLU X 2 -20.880 5.193 1.285 1.00 0.00 O ATOM 26 OE2 GLU X 2 -20.684 6.237 -0.628 1.00 0.00 O ATOM 0 H GLU X 2 -17.200 6.401 2.707 1.00 0.00 H new ATOM 0 HA GLU X 2 -15.947 4.200 1.294 1.00 0.00 H new ATOM 0 HB2 GLU X 2 -17.907 4.476 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU X 2 -18.335 4.174 1.438 1.00 0.00 H new ATOM 0 HG2 GLU X 2 -18.719 6.628 1.742 1.00 0.00 H new ATOM 0 HG3 GLU X 2 -18.388 6.862 0.037 1.00 0.00 H new ATOM 33 N ARG X 3 -14.978 6.952 0.477 1.00 0.00 N ATOM 34 CA ARG X 3 -14.138 7.660 -0.435 1.00 0.00 C ATOM 35 C ARG X 3 -12.752 7.363 -0.022 1.00 0.00 C ATOM 36 O ARG X 3 -12.263 7.921 0.943 1.00 0.00 O ATOM 37 CB ARG X 3 -14.396 9.184 -0.465 1.00 0.00 C ATOM 38 CG ARG X 3 -15.624 9.629 -1.267 1.00 0.00 C ATOM 39 CD ARG X 3 -16.933 9.193 -0.642 1.00 0.00 C ATOM 40 NE ARG X 3 -18.072 9.439 -1.531 1.00 0.00 N ATOM 41 CZ ARG X 3 -19.351 9.540 -1.147 1.00 0.00 C ATOM 42 NH1 ARG X 3 -19.666 9.578 0.150 1.00 0.00 N ATOM 43 NH2 ARG X 3 -20.306 9.642 -2.067 1.00 0.00 N ATOM 0 H ARG X 3 -14.975 7.319 1.429 1.00 0.00 H new ATOM 0 HA ARG X 3 -14.346 7.333 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG X 3 -14.506 9.537 0.560 1.00 0.00 H new ATOM 0 HB3 ARG X 3 -13.516 9.676 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG X 3 -15.616 10.715 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG X 3 -15.558 9.223 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG X 3 -16.884 8.131 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG X 3 -17.083 9.727 0.296 1.00 0.00 H new ATOM 0 HE ARG X 3 -17.874 9.542 -2.526 1.00 0.00 H new ATOM 0 HH11 ARG X 3 -18.930 9.530 0.855 1.00 0.00 H new ATOM 0 HH12 ARG X 3 -20.642 9.655 0.436 1.00 0.00 H new ATOM 0 HH21 ARG X 3 -20.062 9.643 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG X 3 -21.282 9.719 -1.782 1.00 0.00 H new ATOM 57 N GLU X 4 -12.160 6.417 -0.675 1.00 0.00 N ATOM 58 CA GLU X 4 -10.860 5.979 -0.298 1.00 0.00 C ATOM 59 C GLU X 4 -9.817 6.651 -1.099 1.00 0.00 C ATOM 60 O GLU X 4 -10.082 7.307 -2.110 1.00 0.00 O ATOM 61 CB GLU X 4 -10.652 4.467 -0.512 1.00 0.00 C ATOM 62 CG GLU X 4 -11.871 3.671 -0.927 1.00 0.00 C ATOM 63 CD GLU X 4 -11.526 2.265 -1.334 1.00 0.00 C ATOM 64 OE1 GLU X 4 -10.865 2.066 -2.372 1.00 0.00 O ATOM 65 OE2 GLU X 4 -11.876 1.333 -0.600 1.00 0.00 O ATOM 0 H GLU X 4 -12.561 5.931 -1.477 1.00 0.00 H new ATOM 0 HA GLU X 4 -10.779 6.223 0.761 1.00 0.00 H new ATOM 0 HB2 GLU X 4 -9.882 4.332 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU X 4 -10.265 4.041 0.414 1.00 0.00 H new ATOM 0 HG2 GLU X 4 -12.582 3.643 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU X 4 -12.366 4.176 -1.757 1.00 0.00 H new ATOM 72 N ASP X 5 -8.658 6.473 -0.635 1.00 0.00 N ATOM 73 CA ASP X 5 -7.475 6.752 -1.343 1.00 0.00 C ATOM 74 C ASP X 5 -7.317 5.611 -2.350 1.00 0.00 C ATOM 75 O ASP X 5 -7.601 4.445 -2.035 1.00 0.00 O ATOM 76 CB ASP X 5 -6.286 6.831 -0.354 1.00 0.00 C ATOM 77 CG ASP X 5 -6.491 5.975 0.909 1.00 0.00 C ATOM 78 OD1 ASP X 5 -6.995 4.832 0.799 1.00 0.00 O ATOM 79 OD2 ASP X 5 -6.229 6.448 1.990 1.00 0.00 O ATOM 0 H ASP X 5 -8.490 6.108 0.302 1.00 0.00 H new ATOM 0 HA ASP X 5 -7.507 7.710 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -5.377 6.507 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -6.134 7.870 -0.061 1.00 0.00 H new ATOM 84 N CYS X 6 -6.969 5.923 -3.555 1.00 0.00 N ATOM 85 CA CYS X 6 -6.887 4.911 -4.588 1.00 0.00 C ATOM 86 C CYS X 6 -5.502 4.345 -4.760 1.00 0.00 C ATOM 87 O CYS X 6 -4.584 5.015 -5.234 1.00 0.00 O ATOM 88 CB CYS X 6 -7.426 5.415 -5.899 1.00 0.00 C ATOM 89 SG CYS X 6 -7.414 7.242 -6.080 1.00 0.00 S ATOM 0 H CYS X 6 -6.734 6.867 -3.861 1.00 0.00 H new ATOM 0 HA CYS X 6 -7.517 4.089 -4.248 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -6.841 4.979 -6.709 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -8.449 5.058 -6.017 1.00 0.00 H new ATOM 94 N TRP X 7 -5.357 3.098 -4.420 1.00 0.00 N ATOM 95 CA TRP X 7 -4.071 2.483 -4.449 1.00 0.00 C ATOM 96 C TRP X 7 -3.944 1.783 -5.768 1.00 0.00 C ATOM 97 O TRP X 7 -4.851 1.067 -6.187 1.00 0.00 O ATOM 98 CB TRP X 7 -3.899 1.499 -3.260 1.00 0.00 C ATOM 99 CG TRP X 7 -4.412 2.039 -1.945 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.680 3.334 -1.645 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.722 1.298 -0.754 1.00 0.00 C ATOM 102 NE1 TRP X 7 -5.197 3.416 -0.401 1.00 0.00 N ATOM 103 CE2 TRP X 7 -5.195 2.213 0.172 1.00 0.00 C ATOM 104 CE3 TRP X 7 -4.659 -0.038 -0.382 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.606 1.864 1.425 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -5.066 -0.399 0.886 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.539 0.558 1.777 1.00 0.00 C ATOM 0 H TRP X 7 -6.118 2.489 -4.119 1.00 0.00 H new ATOM 0 HA TRP X 7 -3.283 3.229 -4.344 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -4.422 0.570 -3.490 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.843 1.252 -3.154 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -4.506 4.173 -2.302 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -5.539 4.272 0.036 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -4.297 -0.783 -1.075 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -5.974 2.608 2.116 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -5.017 -1.434 1.189 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -5.857 0.256 2.764 1.00 0.00 H new ATOM 118 N THR X 8 -2.852 1.990 -6.407 1.00 0.00 N ATOM 119 CA THR X 8 -2.631 1.478 -7.707 1.00 0.00 C ATOM 120 C THR X 8 -1.714 0.278 -7.582 1.00 0.00 C ATOM 121 O THR X 8 -0.662 0.348 -6.926 1.00 0.00 O ATOM 122 CB THR X 8 -1.955 2.567 -8.553 1.00 0.00 C ATOM 123 OG1 THR X 8 -2.647 3.821 -8.341 1.00 0.00 O ATOM 124 CG2 THR X 8 -1.996 2.215 -10.030 1.00 0.00 C ATOM 0 H THR X 8 -2.072 2.531 -6.033 1.00 0.00 H new ATOM 0 HA THR X 8 -3.567 1.184 -8.182 1.00 0.00 H new ATOM 0 HB THR X 8 -0.911 2.650 -8.249 1.00 0.00 H new ATOM 0 HG1 THR X 8 -2.863 4.226 -9.207 1.00 0.00 H new ATOM 0 HG21 THR X 8 -1.511 3.003 -10.605 1.00 0.00 H new ATOM 0 HG22 THR X 8 -1.474 1.272 -10.194 1.00 0.00 H new ATOM 0 HG23 THR X 8 -3.033 2.117 -10.352 1.00 0.00 H new ATOM 132 N PHE X 9 -2.124 -0.817 -8.146 1.00 0.00 N ATOM 133 CA PHE X 9 -1.401 -2.036 -8.007 1.00 0.00 C ATOM 134 C PHE X 9 -0.485 -2.231 -9.178 1.00 0.00 C ATOM 135 O PHE X 9 -0.845 -1.906 -10.314 1.00 0.00 O ATOM 136 CB PHE X 9 -2.358 -3.207 -7.919 1.00 0.00 C ATOM 137 CG PHE X 9 -1.731 -4.387 -7.283 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.667 -4.434 -5.932 1.00 0.00 C ATOM 139 CD2 PHE X 9 -1.183 -5.417 -8.015 1.00 0.00 C ATOM 140 CE1 PHE X 9 -1.079 -5.474 -5.285 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.577 -6.478 -7.377 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.527 -6.500 -6.002 1.00 0.00 C ATOM 0 H PHE X 9 -2.968 -0.887 -8.714 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.811 -1.984 -7.092 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -3.239 -2.913 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.699 -3.473 -8.920 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -2.093 -3.626 -5.355 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -1.228 -5.393 -9.094 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -1.047 -5.491 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE X 9 -0.145 -7.285 -7.951 1.00 0.00 H new ATOM 0 HZ PHE X 9 -0.053 -7.325 -5.490 1.00 0.00 H new ATOM 152 N TYR X 10 0.689 -2.739 -8.922 1.00 0.00 N ATOM 153 CA TYR X 10 1.606 -3.011 -9.994 1.00 0.00 C ATOM 154 C TYR X 10 1.974 -4.492 -10.063 1.00 0.00 C ATOM 155 O TYR X 10 1.902 -5.082 -11.132 1.00 0.00 O ATOM 156 CB TYR X 10 2.867 -2.140 -9.874 1.00 0.00 C ATOM 157 CG TYR X 10 3.880 -2.297 -11.015 1.00 0.00 C ATOM 158 CD1 TYR X 10 4.837 -3.306 -10.993 1.00 0.00 C ATOM 159 CD2 TYR X 10 3.880 -1.432 -12.098 1.00 0.00 C ATOM 160 CE1 TYR X 10 5.755 -3.452 -12.006 1.00 0.00 C ATOM 161 CE2 TYR X 10 4.801 -1.573 -13.120 1.00 0.00 C ATOM 162 CZ TYR X 10 5.736 -2.585 -13.065 1.00 0.00 C ATOM 163 OH TYR X 10 6.655 -2.736 -14.079 1.00 0.00 O ATOM 0 H TYR X 10 1.031 -2.971 -7.990 1.00 0.00 H new ATOM 0 HA TYR X 10 1.100 -2.756 -10.925 1.00 0.00 H new ATOM 0 HB2 TYR X 10 2.563 -1.095 -9.820 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.364 -2.376 -8.933 1.00 0.00 H new ATOM 0 HD1 TYR X 10 4.860 -3.992 -10.159 1.00 0.00 H new ATOM 0 HD2 TYR X 10 3.151 -0.637 -12.144 1.00 0.00 H new ATOM 0 HE1 TYR X 10 6.486 -4.246 -11.966 1.00 0.00 H new ATOM 0 HE2 TYR X 10 4.788 -0.893 -13.959 1.00 0.00 H new ATOM 0 HH TYR X 10 7.143 -1.895 -14.207 1.00 0.00 H new ATOM 173 N ALA X 11 2.345 -5.099 -8.920 1.00 0.00 N ATOM 174 CA ALA X 11 2.901 -6.450 -8.930 1.00 0.00 C ATOM 175 C ALA X 11 3.052 -6.963 -7.522 1.00 0.00 C ATOM 176 O ALA X 11 2.915 -6.199 -6.558 1.00 0.00 O ATOM 177 CB ALA X 11 4.267 -6.468 -9.622 1.00 0.00 C ATOM 0 H ALA X 11 2.269 -4.677 -7.995 1.00 0.00 H new ATOM 0 HA ALA X 11 2.214 -7.093 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA X 11 4.663 -7.483 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA X 11 4.158 -6.124 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA X 11 4.953 -5.809 -9.090 1.00 0.00 H new ATOM 183 N ASN X 12 3.257 -8.257 -7.382 1.00 0.00 N ATOM 184 CA ASN X 12 3.574 -8.807 -6.074 1.00 0.00 C ATOM 185 C ASN X 12 5.048 -8.576 -5.921 1.00 0.00 C ATOM 186 O ASN X 12 5.835 -8.977 -6.767 1.00 0.00 O ATOM 187 CB ASN X 12 3.272 -10.326 -5.987 1.00 0.00 C ATOM 188 CG ASN X 12 1.785 -10.686 -5.929 1.00 0.00 C ATOM 189 OD1 ASN X 12 0.941 -9.899 -6.558 1.00 0.00 O flip ATOM 190 ND2 ASN X 12 1.406 -11.684 -5.329 1.00 0.00 N flip ATOM 0 H ASN X 12 3.212 -8.938 -8.140 1.00 0.00 H new ATOM 0 HA ASN X 12 2.975 -8.337 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN X 12 3.717 -10.820 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN X 12 3.763 -10.729 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN X 12 2.082 -12.278 -4.849 1.00 0.00 H new ATOM 0 HD22 ASN X 12 0.414 -11.921 -5.309 1.00 0.00 H new ATOM 197 N ARG X 13 5.426 -7.897 -4.887 1.00 0.00 N ATOM 198 CA ARG X 13 6.784 -7.422 -4.745 1.00 0.00 C ATOM 199 C ARG X 13 7.154 -7.328 -3.296 1.00 0.00 C ATOM 200 O ARG X 13 6.277 -7.361 -2.451 1.00 0.00 O ATOM 201 CB ARG X 13 6.878 -5.987 -5.251 1.00 0.00 C ATOM 202 CG ARG X 13 6.639 -5.685 -6.736 1.00 0.00 C ATOM 203 CD ARG X 13 7.785 -6.134 -7.646 1.00 0.00 C ATOM 204 NE ARG X 13 7.711 -7.537 -8.069 1.00 0.00 N ATOM 205 CZ ARG X 13 8.505 -8.076 -9.006 1.00 0.00 C ATOM 206 NH1 ARG X 13 9.609 -7.426 -9.400 1.00 0.00 N ATOM 207 NH2 ARG X 13 8.222 -9.274 -9.512 1.00 0.00 N ATOM 0 H ARG X 13 4.811 -7.651 -4.112 1.00 0.00 H new ATOM 0 HA ARG X 13 7.427 -8.111 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG X 13 6.164 -5.393 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG X 13 7.873 -5.618 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG X 13 5.720 -6.176 -7.054 1.00 0.00 H new ATOM 0 HG3 ARG X 13 6.487 -4.613 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG X 13 7.798 -5.500 -8.533 1.00 0.00 H new ATOM 0 HD3 ARG X 13 8.729 -5.974 -7.126 1.00 0.00 H new ATOM 0 HE ARG X 13 7.016 -8.137 -7.625 1.00 0.00 H new ATOM 0 HH11 ARG X 13 9.844 -6.523 -8.987 1.00 0.00 H new ATOM 0 HH12 ARG X 13 10.214 -7.834 -10.112 1.00 0.00 H new ATOM 0 HH21 ARG X 13 7.400 -9.784 -9.187 1.00 0.00 H new ATOM 0 HH22 ARG X 13 8.827 -9.682 -10.225 1.00 0.00 H new ATOM 221 N LYS X 14 8.450 -7.360 -3.048 1.00 0.00 N ATOM 222 CA LYS X 14 9.142 -6.884 -1.833 1.00 0.00 C ATOM 223 C LYS X 14 10.618 -6.747 -2.120 1.00 0.00 C ATOM 224 O LYS X 14 11.193 -7.562 -2.799 1.00 0.00 O ATOM 225 CB LYS X 14 8.962 -7.715 -0.567 1.00 0.00 C ATOM 226 CG LYS X 14 8.367 -6.960 0.642 1.00 0.00 C ATOM 227 CD LYS X 14 6.865 -6.828 0.497 1.00 0.00 C ATOM 228 CE LYS X 14 6.514 -5.548 -0.190 1.00 0.00 C ATOM 229 NZ LYS X 14 5.168 -5.551 -0.767 1.00 0.00 N ATOM 0 H LYS X 14 9.106 -7.743 -3.729 1.00 0.00 H new ATOM 0 HA LYS X 14 8.662 -5.931 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS X 14 8.317 -8.563 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS X 14 9.931 -8.122 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS X 14 8.604 -7.492 1.563 1.00 0.00 H new ATOM 0 HG3 LYS X 14 8.819 -5.971 0.719 1.00 0.00 H new ATOM 0 HD2 LYS X 14 6.473 -7.672 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS X 14 6.395 -6.860 1.480 1.00 0.00 H new ATOM 0 HE2 LYS X 14 6.595 -4.727 0.523 1.00 0.00 H new ATOM 0 HE3 LYS X 14 7.240 -5.357 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 5.017 -4.671 -1.300 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 5.066 -6.365 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 4.464 -5.619 -0.005 1.00 0.00 H new ATOM 243 N TYR X 15 11.234 -5.744 -1.576 1.00 0.00 N ATOM 244 CA TYR X 15 12.678 -5.566 -1.703 1.00 0.00 C ATOM 245 C TYR X 15 13.335 -6.196 -0.456 1.00 0.00 C ATOM 246 O TYR X 15 14.472 -5.936 -0.089 1.00 0.00 O ATOM 247 CB TYR X 15 12.964 -4.074 -1.833 1.00 0.00 C ATOM 248 CG TYR X 15 14.400 -3.712 -2.071 1.00 0.00 C ATOM 249 CD1 TYR X 15 15.055 -4.160 -3.198 1.00 0.00 C ATOM 250 CD2 TYR X 15 15.092 -2.922 -1.174 1.00 0.00 C ATOM 251 CE1 TYR X 15 16.370 -3.831 -3.430 1.00 0.00 C ATOM 252 CE2 TYR X 15 16.406 -2.580 -1.394 1.00 0.00 C ATOM 253 CZ TYR X 15 17.042 -3.036 -2.524 1.00 0.00 C ATOM 254 OH TYR X 15 18.355 -2.692 -2.755 1.00 0.00 O ATOM 0 H TYR X 15 10.768 -5.019 -1.030 1.00 0.00 H new ATOM 0 HA TYR X 15 13.088 -6.056 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR X 15 12.366 -3.677 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR X 15 12.628 -3.576 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR X 15 14.528 -4.778 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR X 15 14.593 -2.567 -0.285 1.00 0.00 H new ATOM 0 HE1 TYR X 15 16.873 -4.192 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR X 15 16.933 -1.959 -0.685 1.00 0.00 H new ATOM 0 HH TYR X 15 18.679 -2.128 -2.022 1.00 0.00 H new ATOM 264 N THR X 16 12.582 -7.106 0.095 1.00 0.00 N ATOM 265 CA THR X 16 12.853 -7.838 1.316 1.00 0.00 C ATOM 266 C THR X 16 13.396 -6.988 2.468 1.00 0.00 C ATOM 267 O THR X 16 14.562 -7.109 2.868 1.00 0.00 O ATOM 268 CB THR X 16 13.645 -9.153 1.090 1.00 0.00 C ATOM 269 OG1 THR X 16 14.865 -8.906 0.354 1.00 0.00 O ATOM 270 CG2 THR X 16 12.782 -10.139 0.321 1.00 0.00 C ATOM 0 H THR X 16 11.694 -7.381 -0.324 1.00 0.00 H new ATOM 0 HA THR X 16 11.866 -8.148 1.659 1.00 0.00 H new ATOM 0 HB THR X 16 13.908 -9.567 2.064 1.00 0.00 H new ATOM 0 HG1 THR X 16 15.346 -9.750 0.226 1.00 0.00 H new ATOM 0 HG21 THR X 16 13.338 -11.063 0.162 1.00 0.00 H new ATOM 0 HG22 THR X 16 11.878 -10.353 0.891 1.00 0.00 H new ATOM 0 HG23 THR X 16 12.510 -9.709 -0.643 1.00 0.00 H new ATOM 278 N ASP X 17 12.543 -6.089 2.942 1.00 0.00 N ATOM 279 CA ASP X 17 12.821 -5.202 4.061 1.00 0.00 C ATOM 280 C ASP X 17 11.553 -4.438 4.390 1.00 0.00 C ATOM 281 O ASP X 17 10.802 -4.065 3.481 1.00 0.00 O ATOM 282 CB ASP X 17 13.959 -4.222 3.750 1.00 0.00 C ATOM 283 CG ASP X 17 14.197 -3.259 4.881 1.00 0.00 C ATOM 284 OD1 ASP X 17 14.832 -3.643 5.892 1.00 0.00 O ATOM 285 OD2 ASP X 17 13.736 -2.117 4.789 1.00 0.00 O ATOM 0 H ASP X 17 11.613 -5.954 2.546 1.00 0.00 H new ATOM 0 HA ASP X 17 13.142 -5.803 4.912 1.00 0.00 H new ATOM 0 HB2 ASP X 17 14.874 -4.780 3.550 1.00 0.00 H new ATOM 0 HB3 ASP X 17 13.721 -3.665 2.844 1.00 0.00 H new ATOM 290 N PHE X 18 11.288 -4.254 5.659 1.00 0.00 N ATOM 291 CA PHE X 18 10.089 -3.568 6.122 1.00 0.00 C ATOM 292 C PHE X 18 10.459 -2.391 7.032 1.00 0.00 C ATOM 293 O PHE X 18 9.658 -1.956 7.872 1.00 0.00 O ATOM 294 CB PHE X 18 9.166 -4.562 6.866 1.00 0.00 C ATOM 295 CG PHE X 18 8.523 -5.609 5.977 1.00 0.00 C ATOM 296 CD1 PHE X 18 9.176 -6.790 5.653 1.00 0.00 C ATOM 297 CD2 PHE X 18 7.259 -5.400 5.469 1.00 0.00 C ATOM 298 CE1 PHE X 18 8.568 -7.731 4.839 1.00 0.00 C ATOM 299 CE2 PHE X 18 6.645 -6.328 4.660 1.00 0.00 C ATOM 300 CZ PHE X 18 7.298 -7.496 4.342 1.00 0.00 C ATOM 0 H PHE X 18 11.897 -4.575 6.412 1.00 0.00 H new ATOM 0 HA PHE X 18 9.555 -3.173 5.258 1.00 0.00 H new ATOM 0 HB2 PHE X 18 9.745 -5.066 7.640 1.00 0.00 H new ATOM 0 HB3 PHE X 18 8.380 -4.000 7.371 1.00 0.00 H new ATOM 0 HD1 PHE X 18 10.167 -6.977 6.039 1.00 0.00 H new ATOM 0 HD2 PHE X 18 6.738 -4.486 5.712 1.00 0.00 H new ATOM 0 HE1 PHE X 18 9.084 -8.647 4.592 1.00 0.00 H new ATOM 0 HE2 PHE X 18 5.653 -6.140 4.276 1.00 0.00 H new ATOM 0 HZ PHE X 18 6.821 -8.227 3.706 1.00 0.00 H new ATOM 310 N ASP X 19 11.656 -1.836 6.820 1.00 0.00 N ATOM 311 CA ASP X 19 12.197 -0.736 7.658 1.00 0.00 C ATOM 312 C ASP X 19 11.380 0.552 7.557 1.00 0.00 C ATOM 313 O ASP X 19 11.370 1.364 8.494 1.00 0.00 O ATOM 314 CB ASP X 19 13.667 -0.455 7.315 1.00 0.00 C ATOM 315 CG ASP X 19 14.249 0.713 8.068 1.00 0.00 C ATOM 316 OD1 ASP X 19 14.558 0.576 9.272 1.00 0.00 O ATOM 317 OD2 ASP X 19 14.401 1.792 7.475 1.00 0.00 O ATOM 0 H ASP X 19 12.282 -2.127 6.069 1.00 0.00 H new ATOM 0 HA ASP X 19 12.126 -1.080 8.690 1.00 0.00 H new ATOM 0 HB2 ASP X 19 14.258 -1.345 7.529 1.00 0.00 H new ATOM 0 HB3 ASP X 19 13.752 -0.266 6.245 1.00 0.00 H new ATOM 322 N LYS X 20 10.641 0.707 6.462 1.00 0.00 N ATOM 323 CA LYS X 20 9.824 1.913 6.220 1.00 0.00 C ATOM 324 C LYS X 20 8.717 2.140 7.257 1.00 0.00 C ATOM 325 O LYS X 20 8.054 3.146 7.203 1.00 0.00 O ATOM 326 CB LYS X 20 9.248 1.945 4.799 1.00 0.00 C ATOM 327 CG LYS X 20 10.265 2.219 3.706 1.00 0.00 C ATOM 328 CD LYS X 20 10.832 3.619 3.836 1.00 0.00 C ATOM 329 CE LYS X 20 11.826 3.934 2.740 1.00 0.00 C ATOM 330 NZ LYS X 20 12.393 5.279 2.910 1.00 0.00 N ATOM 0 H LYS X 20 10.585 0.012 5.718 1.00 0.00 H new ATOM 0 HA LYS X 20 10.521 2.743 6.331 1.00 0.00 H new ATOM 0 HB2 LYS X 20 8.766 0.989 4.596 1.00 0.00 H new ATOM 0 HB3 LYS X 20 8.472 2.709 4.754 1.00 0.00 H new ATOM 0 HG2 LYS X 20 11.072 1.488 3.763 1.00 0.00 H new ATOM 0 HG3 LYS X 20 9.796 2.101 2.729 1.00 0.00 H new ATOM 0 HD2 LYS X 20 10.018 4.344 3.806 1.00 0.00 H new ATOM 0 HD3 LYS X 20 11.317 3.725 4.806 1.00 0.00 H new ATOM 0 HE2 LYS X 20 12.627 3.195 2.748 1.00 0.00 H new ATOM 0 HE3 LYS X 20 11.336 3.863 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 12.993 5.509 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 11.623 5.974 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 12.965 5.307 3.778 1.00 0.00 H new ATOM 344 N SER X 21 8.539 1.183 8.176 1.00 0.00 N ATOM 345 CA SER X 21 7.611 1.290 9.299 1.00 0.00 C ATOM 346 C SER X 21 6.150 1.221 8.883 1.00 0.00 C ATOM 347 O SER X 21 5.553 2.184 8.338 1.00 0.00 O ATOM 348 CB SER X 21 7.917 2.509 10.145 1.00 0.00 C ATOM 349 OG SER X 21 9.266 2.438 10.625 1.00 0.00 O ATOM 0 H SER X 21 9.047 0.299 8.156 1.00 0.00 H new ATOM 0 HA SER X 21 7.770 0.409 9.921 1.00 0.00 H new ATOM 0 HB2 SER X 21 7.777 3.416 9.557 1.00 0.00 H new ATOM 0 HB3 SER X 21 7.224 2.564 10.985 1.00 0.00 H new ATOM 0 HG SER X 21 9.461 3.229 11.170 1.00 0.00 H new ATOM 355 N PHE X 22 5.581 0.068 9.111 1.00 0.00 N ATOM 356 CA PHE X 22 4.240 -0.217 8.701 1.00 0.00 C ATOM 357 C PHE X 22 3.501 -0.742 9.876 1.00 0.00 C ATOM 358 O PHE X 22 4.110 -1.310 10.792 1.00 0.00 O ATOM 359 CB PHE X 22 4.236 -1.329 7.661 1.00 0.00 C ATOM 360 CG PHE X 22 5.179 -1.129 6.538 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.447 0.120 6.069 1.00 0.00 C ATOM 362 CD2 PHE X 22 5.764 -2.195 5.944 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.273 0.325 5.041 1.00 0.00 C ATOM 364 CE2 PHE X 22 6.623 -2.017 4.897 1.00 0.00 C ATOM 365 CZ PHE X 22 6.882 -0.753 4.435 1.00 0.00 C ATOM 0 H PHE X 22 6.043 -0.704 9.591 1.00 0.00 H new ATOM 0 HA PHE X 22 3.792 0.690 8.296 1.00 0.00 H new ATOM 0 HB2 PHE X 22 4.475 -2.271 8.155 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.228 -1.427 7.258 1.00 0.00 H new ATOM 0 HD1 PHE X 22 4.978 0.970 6.542 1.00 0.00 H new ATOM 0 HD2 PHE X 22 5.550 -3.192 6.300 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.463 1.327 4.687 1.00 0.00 H new ATOM 0 HE2 PHE X 22 7.097 -2.870 4.434 1.00 0.00 H new ATOM 0 HZ PHE X 22 7.556 -0.603 3.605 1.00 0.00 H new ATOM 375 N LYS X 23 2.224 -0.596 9.870 1.00 0.00 N ATOM 376 CA LYS X 23 1.426 -1.168 10.920 1.00 0.00 C ATOM 377 C LYS X 23 0.399 -2.080 10.309 1.00 0.00 C ATOM 378 O LYS X 23 -0.086 -1.812 9.197 1.00 0.00 O ATOM 379 CB LYS X 23 0.785 -0.092 11.778 1.00 0.00 C ATOM 380 CG LYS X 23 1.782 0.764 12.547 1.00 0.00 C ATOM 381 CD LYS X 23 1.100 1.897 13.290 1.00 0.00 C ATOM 382 CE LYS X 23 0.133 1.399 14.352 1.00 0.00 C ATOM 383 NZ LYS X 23 -0.554 2.521 15.020 1.00 0.00 N ATOM 0 H LYS X 23 1.701 -0.089 9.156 1.00 0.00 H new ATOM 0 HA LYS X 23 2.066 -1.749 11.584 1.00 0.00 H new ATOM 0 HB2 LYS X 23 0.182 0.555 11.141 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.105 -0.564 12.487 1.00 0.00 H new ATOM 0 HG2 LYS X 23 2.325 0.140 13.256 1.00 0.00 H new ATOM 0 HG3 LYS X 23 2.518 1.174 11.855 1.00 0.00 H new ATOM 0 HD2 LYS X 23 1.856 2.527 13.759 1.00 0.00 H new ATOM 0 HD3 LYS X 23 0.562 2.522 12.578 1.00 0.00 H new ATOM 0 HE2 LYS X 23 -0.604 0.739 13.895 1.00 0.00 H new ATOM 0 HE3 LYS X 23 0.674 0.809 15.092 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 -1.207 2.150 15.739 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 0.149 3.137 15.476 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 -1.089 3.069 14.316 1.00 0.00 H new ATOM 397 N LYS X 24 0.077 -3.154 10.994 1.00 0.00 N ATOM 398 CA LYS X 24 -0.845 -4.116 10.465 1.00 0.00 C ATOM 399 C LYS X 24 -2.055 -4.311 11.331 1.00 0.00 C ATOM 400 O LYS X 24 -1.981 -4.729 12.494 1.00 0.00 O ATOM 401 CB LYS X 24 -0.163 -5.463 10.187 1.00 0.00 C ATOM 402 CG LYS X 24 -1.131 -6.594 9.842 1.00 0.00 C ATOM 403 CD LYS X 24 -0.418 -7.884 9.494 1.00 0.00 C ATOM 404 CE LYS X 24 0.341 -8.494 10.650 1.00 0.00 C ATOM 405 NZ LYS X 24 1.033 -9.738 10.230 1.00 0.00 N ATOM 0 H LYS X 24 0.444 -3.378 11.919 1.00 0.00 H new ATOM 0 HA LYS X 24 -1.192 -3.700 9.519 1.00 0.00 H new ATOM 0 HB2 LYS X 24 0.541 -5.338 9.364 1.00 0.00 H new ATOM 0 HB3 LYS X 24 0.418 -5.751 11.063 1.00 0.00 H new ATOM 0 HG2 LYS X 24 -1.797 -6.768 10.687 1.00 0.00 H new ATOM 0 HG3 LYS X 24 -1.755 -6.290 9.002 1.00 0.00 H new ATOM 0 HD2 LYS X 24 -1.150 -8.606 9.131 1.00 0.00 H new ATOM 0 HD3 LYS X 24 0.276 -7.695 8.675 1.00 0.00 H new ATOM 0 HE2 LYS X 24 1.070 -7.778 11.030 1.00 0.00 H new ATOM 0 HE3 LYS X 24 -0.347 -8.713 11.467 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 1.315 -10.279 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 0.391 -10.313 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 1.878 -9.495 9.675 1.00 0.00 H new ATOM 419 N SER X 25 -3.144 -4.011 10.748 1.00 0.00 N ATOM 420 CA SER X 25 -4.445 -4.268 11.243 1.00 0.00 C ATOM 421 C SER X 25 -5.214 -4.394 9.971 1.00 0.00 C ATOM 422 O SER X 25 -5.055 -3.525 9.105 1.00 0.00 O ATOM 423 CB SER X 25 -4.944 -3.049 12.034 1.00 0.00 C ATOM 424 OG SER X 25 -3.991 -2.656 13.024 1.00 0.00 O ATOM 0 H SER X 25 -3.158 -3.543 9.842 1.00 0.00 H new ATOM 0 HA SER X 25 -4.521 -5.129 11.908 1.00 0.00 H new ATOM 0 HB2 SER X 25 -5.128 -2.219 11.352 1.00 0.00 H new ATOM 0 HB3 SER X 25 -5.894 -3.286 12.513 1.00 0.00 H new ATOM 0 HG SER X 25 -4.330 -1.878 13.513 1.00 0.00 H new ATOM 430 N SER X 26 -6.008 -5.402 9.780 1.00 0.00 N ATOM 431 CA SER X 26 -6.618 -5.451 8.510 1.00 0.00 C ATOM 432 C SER X 26 -8.083 -5.119 8.608 1.00 0.00 C ATOM 433 O SER X 26 -8.921 -5.930 9.000 1.00 0.00 O ATOM 434 CB SER X 26 -6.396 -6.840 7.925 1.00 0.00 C ATOM 435 OG SER X 26 -5.023 -7.221 8.089 1.00 0.00 O ATOM 0 H SER X 26 -6.232 -6.147 10.440 1.00 0.00 H new ATOM 0 HA SER X 26 -6.171 -4.707 7.851 1.00 0.00 H new ATOM 0 HB2 SER X 26 -7.045 -7.562 8.421 1.00 0.00 H new ATOM 0 HB3 SER X 26 -6.661 -6.846 6.868 1.00 0.00 H new ATOM 0 HG SER X 26 -4.972 -8.037 8.629 1.00 0.00 H new ATOM 441 N ASP X 27 -8.329 -3.876 8.348 1.00 0.00 N ATOM 442 CA ASP X 27 -9.597 -3.281 8.100 1.00 0.00 C ATOM 443 C ASP X 27 -9.390 -2.421 6.931 1.00 0.00 C ATOM 444 O ASP X 27 -8.519 -1.546 7.002 1.00 0.00 O ATOM 445 CB ASP X 27 -10.125 -2.518 9.307 1.00 0.00 C ATOM 446 CG ASP X 27 -10.523 -3.406 10.490 1.00 0.00 C ATOM 447 OD1 ASP X 27 -11.687 -3.877 10.554 1.00 0.00 O ATOM 448 OD2 ASP X 27 -9.692 -3.650 11.387 1.00 0.00 O ATOM 0 H ASP X 27 -7.575 -3.190 8.300 1.00 0.00 H new ATOM 0 HA ASP X 27 -10.365 -4.031 7.910 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -9.363 -1.812 9.638 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -10.991 -1.931 9.001 1.00 0.00 H new ATOM 453 N LEU X 28 -10.106 -2.646 5.848 1.00 0.00 N ATOM 454 CA LEU X 28 -9.918 -1.840 4.644 1.00 0.00 C ATOM 455 C LEU X 28 -10.078 -0.369 5.002 1.00 0.00 C ATOM 456 O LEU X 28 -9.226 0.452 4.684 1.00 0.00 O ATOM 457 CB LEU X 28 -10.910 -2.242 3.542 1.00 0.00 C ATOM 458 CG LEU X 28 -10.719 -1.570 2.175 1.00 0.00 C ATOM 459 CD1 LEU X 28 -9.382 -1.966 1.561 1.00 0.00 C ATOM 460 CD2 LEU X 28 -11.863 -1.928 1.243 1.00 0.00 C ATOM 0 H LEU X 28 -10.819 -3.372 5.770 1.00 0.00 H new ATOM 0 HA LEU X 28 -8.915 -2.014 4.254 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -10.849 -3.321 3.404 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -11.918 -2.022 3.893 1.00 0.00 H new ATOM 0 HG LEU X 28 -10.719 -0.490 2.321 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -9.268 -1.478 0.593 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -8.572 -1.656 2.221 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -9.348 -3.047 1.429 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -11.712 -1.443 0.278 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -11.895 -3.009 1.105 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -12.804 -1.589 1.676 1.00 0.00 H new ATOM 472 N ASP X 29 -11.119 -0.089 5.765 1.00 0.00 N ATOM 473 CA ASP X 29 -11.418 1.257 6.254 1.00 0.00 C ATOM 474 C ASP X 29 -10.267 1.797 7.068 1.00 0.00 C ATOM 475 O ASP X 29 -9.823 2.925 6.852 1.00 0.00 O ATOM 476 CB ASP X 29 -12.637 1.252 7.155 1.00 0.00 C ATOM 477 CG ASP X 29 -13.901 0.822 6.471 1.00 0.00 C ATOM 478 OD1 ASP X 29 -14.406 1.551 5.600 1.00 0.00 O ATOM 479 OD2 ASP X 29 -14.415 -0.255 6.776 1.00 0.00 O ATOM 0 H ASP X 29 -11.792 -0.793 6.069 1.00 0.00 H new ATOM 0 HA ASP X 29 -11.597 1.878 5.376 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.449 0.588 7.999 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -12.779 2.253 7.562 1.00 0.00 H new ATOM 484 N GLU X 30 -9.759 0.967 7.986 1.00 0.00 N ATOM 485 CA GLU X 30 -8.676 1.392 8.891 1.00 0.00 C ATOM 486 C GLU X 30 -7.454 1.760 8.113 1.00 0.00 C ATOM 487 O GLU X 30 -6.766 2.720 8.424 1.00 0.00 O ATOM 488 CB GLU X 30 -8.330 0.372 9.970 1.00 0.00 C ATOM 489 CG GLU X 30 -9.448 0.110 10.981 1.00 0.00 C ATOM 490 CD GLU X 30 -9.775 1.296 11.821 1.00 0.00 C ATOM 491 OE1 GLU X 30 -9.093 1.519 12.827 1.00 0.00 O ATOM 492 OE2 GLU X 30 -10.716 2.048 11.492 1.00 0.00 O ATOM 0 H GLU X 30 -10.074 0.007 8.124 1.00 0.00 H new ATOM 0 HA GLU X 30 -9.057 2.268 9.416 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -8.065 -0.570 9.490 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -7.446 0.716 10.507 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -10.344 -0.206 10.447 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -9.155 -0.716 11.629 1.00 0.00 H new ATOM 499 N CYS X 31 -7.164 0.976 7.125 1.00 0.00 N ATOM 500 CA CYS X 31 -6.007 1.218 6.296 1.00 0.00 C ATOM 501 C CYS X 31 -6.124 2.556 5.552 1.00 0.00 C ATOM 502 O CYS X 31 -5.156 3.317 5.519 1.00 0.00 O ATOM 503 CB CYS X 31 -5.696 0.026 5.353 1.00 0.00 C ATOM 504 SG CYS X 31 -5.424 -1.588 6.206 1.00 0.00 S ATOM 0 H CYS X 31 -7.711 0.155 6.864 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.144 1.300 6.957 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.520 -0.086 4.649 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -4.808 0.266 4.769 1.00 0.00 H new ATOM 509 N LYS X 32 -7.312 2.858 5.004 1.00 0.00 N ATOM 510 CA LYS X 32 -7.520 4.137 4.276 1.00 0.00 C ATOM 511 C LYS X 32 -7.346 5.240 5.208 1.00 0.00 C ATOM 512 O LYS X 32 -6.634 6.186 4.957 1.00 0.00 O ATOM 513 CB LYS X 32 -8.931 4.292 3.705 1.00 0.00 C ATOM 514 CG LYS X 32 -9.208 3.622 2.418 1.00 0.00 C ATOM 515 CD LYS X 32 -8.801 2.213 2.393 1.00 0.00 C ATOM 516 CE LYS X 32 -8.969 1.662 0.984 1.00 0.00 C ATOM 517 NZ LYS X 32 -8.238 2.480 -0.033 1.00 0.00 N ATOM 0 H LYS X 32 -8.133 2.253 5.045 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.802 4.138 3.456 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.639 3.915 4.443 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -9.133 5.356 3.584 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -10.275 3.688 2.205 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -8.691 4.156 1.621 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -7.763 2.117 2.711 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -9.404 1.637 3.095 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -8.605 0.635 0.951 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -10.029 1.633 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -8.772 2.483 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -8.137 3.455 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -7.296 2.071 -0.195 1.00 0.00 H new ATOM 531 N LYS X 33 -7.970 5.066 6.340 1.00 0.00 N ATOM 532 CA LYS X 33 -7.993 6.058 7.320 1.00 0.00 C ATOM 533 C LYS X 33 -6.570 6.355 7.786 1.00 0.00 C ATOM 534 O LYS X 33 -6.205 7.502 7.946 1.00 0.00 O ATOM 535 CB LYS X 33 -8.942 5.690 8.457 1.00 0.00 C ATOM 536 CG LYS X 33 -8.282 5.074 9.630 1.00 0.00 C ATOM 537 CD LYS X 33 -9.281 4.849 10.719 1.00 0.00 C ATOM 538 CE LYS X 33 -8.625 4.521 12.030 1.00 0.00 C ATOM 539 NZ LYS X 33 -9.633 4.231 13.056 1.00 0.00 N ATOM 0 H LYS X 33 -8.475 4.215 6.588 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.391 6.980 6.897 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -9.467 6.589 8.781 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -9.696 5.001 8.076 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -7.824 4.127 9.344 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -7.481 5.721 9.988 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -9.896 5.741 10.835 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -9.949 4.036 10.435 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -7.966 3.662 11.908 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -8.003 5.357 12.350 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -9.523 4.895 13.849 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -10.584 4.334 12.648 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -9.508 3.258 13.400 1.00 0.00 H new ATOM 553 N THR X 34 -5.770 5.296 7.997 1.00 0.00 N ATOM 554 CA THR X 34 -4.417 5.468 8.378 1.00 0.00 C ATOM 555 C THR X 34 -3.649 6.190 7.296 1.00 0.00 C ATOM 556 O THR X 34 -2.835 7.069 7.592 1.00 0.00 O ATOM 557 CB THR X 34 -3.736 4.173 8.782 1.00 0.00 C ATOM 558 OG1 THR X 34 -4.580 3.492 9.733 1.00 0.00 O ATOM 559 CG2 THR X 34 -2.416 4.505 9.461 1.00 0.00 C ATOM 0 H THR X 34 -6.066 4.325 7.902 1.00 0.00 H new ATOM 0 HA THR X 34 -4.419 6.087 9.275 1.00 0.00 H new ATOM 0 HB THR X 34 -3.563 3.548 7.906 1.00 0.00 H new ATOM 0 HG1 THR X 34 -5.253 2.965 9.254 1.00 0.00 H new ATOM 0 HG21 THR X 34 -1.917 3.582 9.756 1.00 0.00 H new ATOM 0 HG22 THR X 34 -1.780 5.057 8.769 1.00 0.00 H new ATOM 0 HG23 THR X 34 -2.605 5.114 10.345 1.00 0.00 H new ATOM 567 N CYS X 35 -3.907 5.809 6.039 1.00 0.00 N ATOM 568 CA CYS X 35 -3.234 6.441 4.922 1.00 0.00 C ATOM 569 C CYS X 35 -3.547 7.916 4.916 1.00 0.00 C ATOM 570 O CYS X 35 -2.616 8.736 4.966 1.00 0.00 O ATOM 571 CB CYS X 35 -3.609 5.765 3.596 1.00 0.00 C ATOM 572 SG CYS X 35 -2.717 6.353 2.100 1.00 0.00 S ATOM 0 H CYS X 35 -4.569 5.076 5.782 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.157 6.321 5.036 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -3.437 4.694 3.698 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -4.678 5.902 3.433 1.00 0.00 H new ATOM 577 N PHE X 36 -4.832 8.259 5.049 1.00 0.00 N ATOM 578 CA PHE X 36 -5.251 9.644 5.006 1.00 0.00 C ATOM 579 C PHE X 36 -4.629 10.363 6.160 1.00 0.00 C ATOM 580 O PHE X 36 -4.266 11.533 6.044 1.00 0.00 O ATOM 581 CB PHE X 36 -6.777 9.815 5.144 1.00 0.00 C ATOM 582 CG PHE X 36 -7.647 9.264 4.045 1.00 0.00 C ATOM 583 CD1 PHE X 36 -7.418 9.574 2.718 1.00 0.00 C ATOM 584 CD2 PHE X 36 -8.747 8.486 4.362 1.00 0.00 C ATOM 585 CE1 PHE X 36 -8.273 9.111 1.731 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.591 8.015 3.385 1.00 0.00 C ATOM 587 CZ PHE X 36 -9.361 8.327 2.073 1.00 0.00 C ATOM 0 H PHE X 36 -5.591 7.591 5.187 1.00 0.00 H new ATOM 0 HA PHE X 36 -4.942 10.040 4.039 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.083 9.348 6.080 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -6.988 10.880 5.236 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -6.567 10.181 2.448 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -8.946 8.245 5.396 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -8.091 9.361 0.696 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.436 7.398 3.653 1.00 0.00 H new ATOM 0 HZ PHE X 36 -10.027 7.962 1.305 1.00 0.00 H new ATOM 597 N LYS X 37 -4.517 9.675 7.279 1.00 0.00 N ATOM 598 CA LYS X 37 -3.927 10.255 8.431 1.00 0.00 C ATOM 599 C LYS X 37 -2.500 10.765 8.284 1.00 0.00 C ATOM 600 O LYS X 37 -2.276 11.902 8.724 1.00 0.00 O ATOM 601 CB LYS X 37 -4.003 9.383 9.686 1.00 0.00 C ATOM 602 CG LYS X 37 -5.375 9.269 10.322 1.00 0.00 C ATOM 603 CD LYS X 37 -5.283 8.640 11.713 1.00 0.00 C ATOM 604 CE LYS X 37 -4.734 7.225 11.684 1.00 0.00 C ATOM 605 NZ LYS X 37 -4.605 6.659 13.042 1.00 0.00 N ATOM 0 H LYS X 37 -4.833 8.712 7.398 1.00 0.00 H new ATOM 0 HA LYS X 37 -4.567 11.129 8.551 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -3.655 8.382 9.433 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -3.311 9.783 10.427 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -5.829 10.257 10.395 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -6.025 8.665 9.688 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -4.646 9.259 12.345 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -6.273 8.631 12.169 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -5.391 6.592 11.087 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -3.760 7.223 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -4.227 5.692 12.981 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -3.958 7.249 13.604 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -5.539 6.637 13.499 1.00 0.00 H new ATOM 619 N THR X 38 -1.477 9.969 7.761 1.00 0.00 N ATOM 620 CA THR X 38 -0.153 10.553 7.966 1.00 0.00 C ATOM 621 C THR X 38 0.161 11.796 7.051 1.00 0.00 C ATOM 622 O THR X 38 -0.741 12.521 6.641 1.00 0.00 O ATOM 623 CB THR X 38 0.836 9.428 7.663 1.00 0.00 C ATOM 624 OG1 THR X 38 0.167 8.174 7.868 1.00 0.00 O ATOM 625 CG2 THR X 38 2.020 9.493 8.604 1.00 0.00 C ATOM 0 H THR X 38 -1.549 9.074 7.278 1.00 0.00 H new ATOM 0 HA THR X 38 -0.087 10.937 8.984 1.00 0.00 H new ATOM 0 HB THR X 38 1.189 9.528 6.637 1.00 0.00 H new ATOM 0 HG1 THR X 38 -0.091 7.796 7.002 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.713 8.684 8.373 1.00 0.00 H new ATOM 0 HG22 THR X 38 2.527 10.451 8.485 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.673 9.391 9.632 1.00 0.00 H new ATOM 633 N GLU X 39 1.419 12.012 6.662 1.00 0.00 N ATOM 634 CA GLU X 39 1.740 12.890 5.560 1.00 0.00 C ATOM 635 C GLU X 39 1.521 12.264 4.265 1.00 0.00 C ATOM 636 O GLU X 39 0.758 12.676 3.413 1.00 0.00 O ATOM 637 CB GLU X 39 3.142 13.452 5.633 1.00 0.00 C ATOM 638 CG GLU X 39 3.477 14.194 6.892 1.00 0.00 C ATOM 639 CD GLU X 39 4.838 14.798 6.792 1.00 0.00 C ATOM 640 OE1 GLU X 39 5.841 14.120 7.118 1.00 0.00 O ATOM 641 OE2 GLU X 39 4.943 15.951 6.344 1.00 0.00 O ATOM 0 H GLU X 39 2.231 11.582 7.105 1.00 0.00 H new ATOM 0 HA GLU X 39 1.046 13.724 5.659 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.850 12.631 5.517 1.00 0.00 H new ATOM 0 HB3 GLU X 39 3.290 14.123 4.787 1.00 0.00 H new ATOM 0 HG2 GLU X 39 2.738 14.975 7.069 1.00 0.00 H new ATOM 0 HG3 GLU X 39 3.435 13.515 7.744 1.00 0.00 H new ATOM 648 N TYR X 40 2.221 11.176 4.234 1.00 0.00 N ATOM 649 CA TYR X 40 2.623 10.479 3.076 1.00 0.00 C ATOM 650 C TYR X 40 1.508 9.907 2.325 1.00 0.00 C ATOM 651 O TYR X 40 1.521 10.009 1.120 1.00 0.00 O ATOM 652 CB TYR X 40 3.675 9.418 3.493 1.00 0.00 C ATOM 653 CG TYR X 40 4.600 9.970 4.549 1.00 0.00 C ATOM 654 CD1 TYR X 40 5.599 10.870 4.233 1.00 0.00 C ATOM 655 CD2 TYR X 40 4.420 9.634 5.875 1.00 0.00 C ATOM 656 CE1 TYR X 40 6.399 11.404 5.219 1.00 0.00 C ATOM 657 CE2 TYR X 40 5.200 10.173 6.861 1.00 0.00 C ATOM 658 CZ TYR X 40 6.188 11.049 6.532 1.00 0.00 C ATOM 659 OH TYR X 40 6.940 11.610 7.525 1.00 0.00 O ATOM 0 H TYR X 40 2.547 10.725 5.089 1.00 0.00 H new ATOM 0 HA TYR X 40 3.072 11.184 2.377 1.00 0.00 H new ATOM 0 HB2 TYR X 40 3.171 8.529 3.872 1.00 0.00 H new ATOM 0 HB3 TYR X 40 4.253 9.110 2.622 1.00 0.00 H new ATOM 0 HD1 TYR X 40 5.754 11.158 3.204 1.00 0.00 H new ATOM 0 HD2 TYR X 40 3.646 8.929 6.140 1.00 0.00 H new ATOM 0 HE1 TYR X 40 7.187 12.097 4.963 1.00 0.00 H new ATOM 0 HE2 TYR X 40 5.033 9.905 7.894 1.00 0.00 H new ATOM 0 HH TYR X 40 6.730 12.565 7.595 1.00 0.00 H new ATOM 669 N CYS X 41 0.470 9.469 3.065 1.00 0.00 N ATOM 670 CA CYS X 41 -0.635 8.606 2.472 1.00 0.00 C ATOM 671 C CYS X 41 -0.257 7.964 1.115 1.00 0.00 C ATOM 672 O CYS X 41 -0.567 8.550 0.081 1.00 0.00 O ATOM 673 CB CYS X 41 -1.954 9.366 2.266 1.00 0.00 C ATOM 674 SG CYS X 41 -3.358 8.286 1.730 1.00 0.00 S ATOM 0 H CYS X 41 0.351 9.679 4.056 1.00 0.00 H new ATOM 0 HA CYS X 41 -0.769 7.826 3.221 1.00 0.00 H new ATOM 0 HB2 CYS X 41 -2.225 9.864 3.197 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -1.801 10.146 1.520 1.00 0.00 H new ATOM 679 N TYR X 42 0.448 6.811 1.090 1.00 0.00 N ATOM 680 CA TYR X 42 0.748 6.222 -0.225 1.00 0.00 C ATOM 681 C TYR X 42 1.104 4.745 -0.328 1.00 0.00 C ATOM 682 O TYR X 42 0.719 4.132 -1.311 1.00 0.00 O ATOM 683 CB TYR X 42 1.639 7.085 -1.170 1.00 0.00 C ATOM 684 CG TYR X 42 2.938 7.618 -0.617 1.00 0.00 C ATOM 685 CD1 TYR X 42 3.654 6.954 0.366 1.00 0.00 C ATOM 686 CD2 TYR X 42 3.449 8.811 -1.105 1.00 0.00 C ATOM 687 CE1 TYR X 42 4.835 7.461 0.839 1.00 0.00 C ATOM 688 CE2 TYR X 42 4.628 9.320 -0.640 1.00 0.00 C ATOM 689 CZ TYR X 42 5.318 8.644 0.329 1.00 0.00 C ATOM 690 OH TYR X 42 6.503 9.139 0.787 1.00 0.00 O ATOM 0 H TYR X 42 0.797 6.303 1.903 1.00 0.00 H new ATOM 0 HA TYR X 42 -0.275 6.250 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR X 42 1.870 6.487 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR X 42 1.045 7.934 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR X 42 3.276 6.024 0.765 1.00 0.00 H new ATOM 0 HD2 TYR X 42 2.904 9.348 -1.867 1.00 0.00 H new ATOM 0 HE1 TYR X 42 5.383 6.936 1.607 1.00 0.00 H new ATOM 0 HE2 TYR X 42 5.013 10.249 -1.034 1.00 0.00 H new ATOM 0 HH TYR X 42 6.436 10.112 0.883 1.00 0.00 H new ATOM 700 N ILE X 43 1.809 4.124 0.609 1.00 0.00 N ATOM 701 CA ILE X 43 2.211 2.756 0.272 1.00 0.00 C ATOM 702 C ILE X 43 1.487 1.791 1.169 1.00 0.00 C ATOM 703 O ILE X 43 1.301 2.073 2.341 1.00 0.00 O ATOM 704 CB ILE X 43 3.761 2.495 0.360 1.00 0.00 C ATOM 705 CG1 ILE X 43 4.608 3.629 -0.275 1.00 0.00 C ATOM 706 CG2 ILE X 43 4.105 1.175 -0.314 1.00 0.00 C ATOM 707 CD1 ILE X 43 4.363 3.897 -1.740 1.00 0.00 C ATOM 0 H ILE X 43 2.093 4.491 1.517 1.00 0.00 H new ATOM 0 HA ILE X 43 1.940 2.607 -0.773 1.00 0.00 H new ATOM 0 HB ILE X 43 4.009 2.461 1.421 1.00 0.00 H new ATOM 0 HG12 ILE X 43 4.420 4.549 0.279 1.00 0.00 H new ATOM 0 HG13 ILE X 43 5.662 3.386 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE X 43 5.179 1.002 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.576 0.363 0.185 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.807 1.213 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE X 43 5.009 4.708 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE X 43 4.582 2.998 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE X 43 3.321 4.179 -1.889 1.00 0.00 H new ATOM 719 N VAL X 44 1.020 0.702 0.627 1.00 0.00 N ATOM 720 CA VAL X 44 0.367 -0.304 1.415 1.00 0.00 C ATOM 721 C VAL X 44 0.873 -1.681 0.975 1.00 0.00 C ATOM 722 O VAL X 44 1.001 -1.966 -0.226 1.00 0.00 O ATOM 723 CB VAL X 44 -1.165 -0.241 1.264 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.879 -1.291 2.104 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.738 1.149 1.523 1.00 0.00 C ATOM 0 H VAL X 44 1.081 0.487 -0.368 1.00 0.00 H new ATOM 0 HA VAL X 44 0.602 -0.127 2.465 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.357 -0.472 0.216 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -2.956 -1.202 1.960 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.553 -2.285 1.798 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.640 -1.139 3.157 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -2.821 1.125 1.400 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.495 1.459 2.539 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.308 1.857 0.815 1.00 0.00 H new ATOM 735 N PHE X 45 1.191 -2.505 1.928 1.00 0.00 N ATOM 736 CA PHE X 45 1.669 -3.837 1.673 1.00 0.00 C ATOM 737 C PHE X 45 0.665 -4.807 2.221 1.00 0.00 C ATOM 738 O PHE X 45 0.223 -4.663 3.335 1.00 0.00 O ATOM 739 CB PHE X 45 3.048 -4.069 2.341 1.00 0.00 C ATOM 740 CG PHE X 45 4.218 -3.343 1.701 1.00 0.00 C ATOM 741 CD1 PHE X 45 4.069 -2.635 0.529 1.00 0.00 C ATOM 742 CD2 PHE X 45 5.481 -3.412 2.261 1.00 0.00 C ATOM 743 CE1 PHE X 45 5.134 -2.015 -0.059 1.00 0.00 C ATOM 744 CE2 PHE X 45 6.557 -2.795 1.655 1.00 0.00 C ATOM 745 CZ PHE X 45 6.373 -2.098 0.496 1.00 0.00 C ATOM 0 H PHE X 45 1.126 -2.271 2.919 1.00 0.00 H new ATOM 0 HA PHE X 45 1.793 -3.980 0.600 1.00 0.00 H new ATOM 0 HB2 PHE X 45 2.982 -3.764 3.385 1.00 0.00 H new ATOM 0 HB3 PHE X 45 3.260 -5.138 2.334 1.00 0.00 H new ATOM 0 HD1 PHE X 45 3.095 -2.569 0.068 1.00 0.00 H new ATOM 0 HD2 PHE X 45 5.627 -3.955 3.183 1.00 0.00 H new ATOM 0 HE1 PHE X 45 4.992 -1.455 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE X 45 7.540 -2.864 2.096 1.00 0.00 H new ATOM 0 HZ PHE X 45 7.212 -1.612 0.019 1.00 0.00 H new ATOM 755 N GLU X 46 0.298 -5.776 1.468 1.00 0.00 N ATOM 756 CA GLU X 46 -0.682 -6.713 1.943 1.00 0.00 C ATOM 757 C GLU X 46 -0.090 -8.070 1.965 1.00 0.00 C ATOM 758 O GLU X 46 0.724 -8.400 1.104 1.00 0.00 O ATOM 759 CB GLU X 46 -1.823 -6.782 1.010 1.00 0.00 C ATOM 760 CG GLU X 46 -2.460 -5.492 0.632 1.00 0.00 C ATOM 761 CD GLU X 46 -3.293 -5.736 -0.563 1.00 0.00 C ATOM 762 OE1 GLU X 46 -4.433 -6.225 -0.412 1.00 0.00 O ATOM 763 OE2 GLU X 46 -2.770 -5.564 -1.691 1.00 0.00 O ATOM 0 H GLU X 46 0.650 -5.951 0.527 1.00 0.00 H new ATOM 0 HA GLU X 46 -1.004 -6.388 2.932 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -1.486 -7.275 0.098 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -2.587 -7.421 1.454 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -3.069 -5.112 1.452 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -1.701 -4.738 0.422 1.00 0.00 H new ATOM 770 N ASP X 47 -0.505 -8.850 2.905 1.00 0.00 N ATOM 771 CA ASP X 47 -0.076 -10.222 3.001 1.00 0.00 C ATOM 772 C ASP X 47 -1.080 -11.015 2.210 1.00 0.00 C ATOM 773 O ASP X 47 -2.255 -10.995 2.537 1.00 0.00 O ATOM 774 CB ASP X 47 -0.111 -10.673 4.457 1.00 0.00 C ATOM 775 CG ASP X 47 0.507 -12.032 4.684 1.00 0.00 C ATOM 776 OD1 ASP X 47 0.029 -13.039 4.122 1.00 0.00 O ATOM 777 OD2 ASP X 47 1.461 -12.119 5.464 1.00 0.00 O ATOM 0 H ASP X 47 -1.155 -8.561 3.637 1.00 0.00 H new ATOM 0 HA ASP X 47 0.940 -10.355 2.628 1.00 0.00 H new ATOM 0 HB2 ASP X 47 0.412 -9.938 5.069 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -1.146 -10.692 4.798 1.00 0.00 H new ATOM 782 N THR X 48 -0.648 -11.667 1.185 1.00 0.00 N ATOM 783 CA THR X 48 -1.541 -12.359 0.291 1.00 0.00 C ATOM 784 C THR X 48 -2.126 -13.624 0.940 1.00 0.00 C ATOM 785 O THR X 48 -3.292 -13.957 0.733 1.00 0.00 O ATOM 786 CB THR X 48 -0.787 -12.756 -0.987 1.00 0.00 C ATOM 787 OG1 THR X 48 0.101 -11.696 -1.348 1.00 0.00 O ATOM 788 CG2 THR X 48 -1.762 -12.965 -2.129 1.00 0.00 C ATOM 0 H THR X 48 0.338 -11.741 0.934 1.00 0.00 H new ATOM 0 HA THR X 48 -2.363 -11.683 0.054 1.00 0.00 H new ATOM 0 HB THR X 48 -0.238 -13.679 -0.801 1.00 0.00 H new ATOM 0 HG1 THR X 48 0.589 -11.941 -2.162 1.00 0.00 H new ATOM 0 HG21 THR X 48 -1.214 -13.246 -3.028 1.00 0.00 H new ATOM 0 HG22 THR X 48 -2.463 -13.758 -1.869 1.00 0.00 H new ATOM 0 HG23 THR X 48 -2.311 -12.041 -2.312 1.00 0.00 H new ATOM 796 N VAL X 49 -1.333 -14.284 1.755 1.00 0.00 N ATOM 797 CA VAL X 49 -1.725 -15.559 2.328 1.00 0.00 C ATOM 798 C VAL X 49 -2.628 -15.351 3.512 1.00 0.00 C ATOM 799 O VAL X 49 -3.690 -15.956 3.629 1.00 0.00 O ATOM 800 CB VAL X 49 -0.492 -16.400 2.742 1.00 0.00 C ATOM 801 CG1 VAL X 49 -0.914 -17.728 3.364 1.00 0.00 C ATOM 802 CG2 VAL X 49 0.401 -16.645 1.542 1.00 0.00 C ATOM 0 H VAL X 49 -0.408 -13.960 2.039 1.00 0.00 H new ATOM 0 HA VAL X 49 -2.267 -16.110 1.560 1.00 0.00 H new ATOM 0 HB VAL X 49 0.064 -15.837 3.492 1.00 0.00 H new ATOM 0 HG11 VAL X 49 -0.027 -18.296 3.645 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -1.519 -17.539 4.251 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -1.498 -18.299 2.642 1.00 0.00 H new ATOM 0 HG21 VAL X 49 1.264 -17.237 1.846 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.158 -17.184 0.777 1.00 0.00 H new ATOM 0 HG23 VAL X 49 0.739 -15.690 1.139 1.00 0.00 H new ATOM 812 N ASN X 50 -2.220 -14.452 4.345 1.00 0.00 N ATOM 813 CA ASN X 50 -2.921 -14.141 5.570 1.00 0.00 C ATOM 814 C ASN X 50 -3.994 -13.125 5.322 1.00 0.00 C ATOM 815 O ASN X 50 -4.819 -12.879 6.191 1.00 0.00 O ATOM 816 CB ASN X 50 -1.941 -13.631 6.635 1.00 0.00 C ATOM 817 CG ASN X 50 -0.940 -14.677 7.064 1.00 0.00 C ATOM 818 OD1 ASN X 50 -1.177 -15.439 8.002 1.00 0.00 O ATOM 819 ND2 ASN X 50 0.176 -14.727 6.393 1.00 0.00 N ATOM 0 H ASN X 50 -1.376 -13.897 4.201 1.00 0.00 H new ATOM 0 HA ASN X 50 -3.389 -15.055 5.937 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -1.408 -12.764 6.245 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -2.503 -13.294 7.506 1.00 0.00 H new ATOM 0 HD21 ASN X 50 0.889 -15.414 6.639 1.00 0.00 H new ATOM 0 HD22 ASN X 50 0.337 -14.079 5.622 1.00 0.00 H new ATOM 826 N LYS X 51 -3.966 -12.519 4.127 1.00 0.00 N ATOM 827 CA LYS X 51 -4.966 -11.513 3.700 1.00 0.00 C ATOM 828 C LYS X 51 -4.897 -10.287 4.612 1.00 0.00 C ATOM 829 O LYS X 51 -5.893 -9.609 4.858 1.00 0.00 O ATOM 830 CB LYS X 51 -6.388 -12.126 3.698 1.00 0.00 C ATOM 831 CG LYS X 51 -6.542 -13.340 2.782 1.00 0.00 C ATOM 832 CD LYS X 51 -6.317 -12.975 1.332 1.00 0.00 C ATOM 833 CE LYS X 51 -6.402 -14.192 0.419 1.00 0.00 C ATOM 834 NZ LYS X 51 -6.243 -13.809 -0.999 1.00 0.00 N ATOM 0 H LYS X 51 -3.252 -12.708 3.424 1.00 0.00 H new ATOM 0 HA LYS X 51 -4.738 -11.198 2.682 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -6.648 -12.417 4.716 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -7.102 -11.361 3.393 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -5.832 -14.112 3.078 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -7.540 -13.762 2.901 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -7.059 -12.238 1.024 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -5.338 -12.507 1.223 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -5.629 -14.910 0.693 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -7.362 -14.688 0.559 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -6.034 -14.656 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -7.122 -13.371 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -5.460 -13.130 -1.090 1.00 0.00 H new ATOM 848 N GLU X 52 -3.695 -9.976 5.047 1.00 0.00 N ATOM 849 CA GLU X 52 -3.479 -8.914 6.003 1.00 0.00 C ATOM 850 C GLU X 52 -3.137 -7.590 5.325 1.00 0.00 C ATOM 851 O GLU X 52 -2.876 -7.556 4.120 1.00 0.00 O ATOM 852 CB GLU X 52 -2.432 -9.314 7.046 1.00 0.00 C ATOM 853 CG GLU X 52 -2.831 -10.562 7.804 1.00 0.00 C ATOM 854 CD GLU X 52 -2.002 -10.818 9.037 1.00 0.00 C ATOM 855 OE1 GLU X 52 -0.827 -11.192 8.928 1.00 0.00 O ATOM 856 OE2 GLU X 52 -2.511 -10.605 10.164 1.00 0.00 O ATOM 0 H GLU X 52 -2.843 -10.451 4.749 1.00 0.00 H new ATOM 0 HA GLU X 52 -4.420 -8.754 6.530 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -1.475 -9.481 6.552 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -2.289 -8.493 7.749 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -3.879 -10.481 8.093 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -2.750 -11.421 7.138 1.00 0.00 H new ATOM 863 N CYS X 53 -3.119 -6.516 6.094 1.00 0.00 N ATOM 864 CA CYS X 53 -2.905 -5.196 5.569 1.00 0.00 C ATOM 865 C CYS X 53 -1.847 -4.507 6.387 1.00 0.00 C ATOM 866 O CYS X 53 -1.939 -4.445 7.609 1.00 0.00 O ATOM 867 CB CYS X 53 -4.234 -4.378 5.619 1.00 0.00 C ATOM 868 SG CYS X 53 -4.138 -2.639 5.000 1.00 0.00 S ATOM 0 H CYS X 53 -3.254 -6.544 7.105 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.578 -5.265 4.532 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -4.987 -4.909 5.036 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -4.586 -4.357 6.650 1.00 0.00 H new ATOM 873 N TYR X 54 -0.843 -4.034 5.722 1.00 0.00 N ATOM 874 CA TYR X 54 0.180 -3.242 6.318 1.00 0.00 C ATOM 875 C TYR X 54 0.139 -1.958 5.604 1.00 0.00 C ATOM 876 O TYR X 54 0.222 -1.918 4.389 1.00 0.00 O ATOM 877 CB TYR X 54 1.581 -3.825 6.072 1.00 0.00 C ATOM 878 CG TYR X 54 1.955 -5.046 6.843 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.584 -6.306 6.419 1.00 0.00 C ATOM 880 CD2 TYR X 54 2.724 -4.934 7.986 1.00 0.00 C ATOM 881 CE1 TYR X 54 1.964 -7.423 7.121 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.111 -6.040 8.689 1.00 0.00 C ATOM 883 CZ TYR X 54 2.729 -7.282 8.257 1.00 0.00 C ATOM 884 OH TYR X 54 3.117 -8.395 8.962 1.00 0.00 O ATOM 0 H TYR X 54 -0.710 -4.193 4.723 1.00 0.00 H new ATOM 0 HA TYR X 54 0.013 -3.180 7.393 1.00 0.00 H new ATOM 0 HB2 TYR X 54 1.670 -4.055 5.010 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.314 -3.049 6.292 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.988 -6.414 5.525 1.00 0.00 H new ATOM 0 HD2 TYR X 54 3.024 -3.955 8.330 1.00 0.00 H new ATOM 0 HE1 TYR X 54 1.665 -8.405 6.785 1.00 0.00 H new ATOM 0 HE2 TYR X 54 3.714 -5.935 9.579 1.00 0.00 H new ATOM 0 HH TYR X 54 3.652 -8.122 9.736 1.00 0.00 H new ATOM 894 N TYR X 55 0.059 -0.936 6.309 1.00 0.00 N ATOM 895 CA TYR X 55 0.019 0.342 5.700 1.00 0.00 C ATOM 896 C TYR X 55 1.276 1.088 5.993 1.00 0.00 C ATOM 897 O TYR X 55 1.748 1.095 7.151 1.00 0.00 O ATOM 898 CB TYR X 55 -1.273 1.114 6.058 1.00 0.00 C ATOM 899 CG TYR X 55 -1.784 0.896 7.489 1.00 0.00 C ATOM 900 CD1 TYR X 55 -1.167 1.476 8.574 1.00 0.00 C ATOM 901 CD2 TYR X 55 -2.911 0.105 7.729 1.00 0.00 C ATOM 902 CE1 TYR X 55 -1.645 1.282 9.857 1.00 0.00 C ATOM 903 CE2 TYR X 55 -3.398 -0.096 9.014 1.00 0.00 C ATOM 904 CZ TYR X 55 -2.753 0.498 10.074 1.00 0.00 C ATOM 905 OH TYR X 55 -3.215 0.320 11.364 1.00 0.00 O ATOM 0 H TYR X 55 0.018 -0.933 7.328 1.00 0.00 H new ATOM 0 HA TYR X 55 -0.027 0.220 4.618 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -1.094 2.179 5.910 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -2.058 0.823 5.360 1.00 0.00 H new ATOM 0 HD1 TYR X 55 -0.294 2.093 8.421 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -3.415 -0.361 6.895 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -1.145 1.749 10.693 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -4.271 -0.710 9.179 1.00 0.00 H new ATOM 0 HH TYR X 55 -4.006 -0.259 11.351 1.00 0.00 H new ATOM 915 N ASN X 56 1.873 1.633 4.942 1.00 0.00 N ATOM 916 CA ASN X 56 3.113 2.384 5.088 1.00 0.00 C ATOM 917 C ASN X 56 2.815 3.732 5.564 1.00 0.00 C ATOM 918 O ASN X 56 2.118 4.520 4.871 1.00 0.00 O ATOM 919 CB ASN X 56 3.921 2.452 3.804 1.00 0.00 C ATOM 920 CG ASN X 56 5.162 3.347 3.915 1.00 0.00 C ATOM 921 OD1 ASN X 56 5.750 3.495 4.976 1.00 0.00 O ATOM 922 ND2 ASN X 56 5.572 3.925 2.822 1.00 0.00 N ATOM 0 H ASN X 56 1.523 1.570 3.986 1.00 0.00 H new ATOM 0 HA ASN X 56 3.727 1.853 5.815 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.231 1.445 3.524 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.284 2.824 3.001 1.00 0.00 H new ATOM 0 HD21 ASN X 56 6.402 4.518 2.839 1.00 0.00 H new ATOM 0 HD22 ASN X 56 5.063 3.785 1.949 1.00 0.00 H new ATOM 929 N VAL X 57 3.396 4.025 6.694 1.00 0.00 N ATOM 930 CA VAL X 57 3.095 5.247 7.389 1.00 0.00 C ATOM 931 C VAL X 57 4.233 6.231 7.315 1.00 0.00 C ATOM 932 O VAL X 57 4.183 7.294 7.935 1.00 0.00 O ATOM 933 CB VAL X 57 2.657 5.014 8.871 1.00 0.00 C ATOM 934 CG1 VAL X 57 1.370 4.215 8.931 1.00 0.00 C ATOM 935 CG2 VAL X 57 3.744 4.321 9.682 1.00 0.00 C ATOM 0 H VAL X 57 4.085 3.431 7.156 1.00 0.00 H new ATOM 0 HA VAL X 57 2.240 5.679 6.870 1.00 0.00 H new ATOM 0 HB VAL X 57 2.486 5.995 9.314 1.00 0.00 H new ATOM 0 HG11 VAL X 57 1.083 4.064 9.972 1.00 0.00 H new ATOM 0 HG12 VAL X 57 0.580 4.758 8.412 1.00 0.00 H new ATOM 0 HG13 VAL X 57 1.520 3.247 8.452 1.00 0.00 H new ATOM 0 HG21 VAL X 57 3.399 4.178 10.706 1.00 0.00 H new ATOM 0 HG22 VAL X 57 3.969 3.352 9.236 1.00 0.00 H new ATOM 0 HG23 VAL X 57 4.644 4.936 9.685 1.00 0.00 H new ATOM 945 N VAL X 58 5.269 5.898 6.582 1.00 0.00 N ATOM 946 CA VAL X 58 6.363 6.848 6.413 1.00 0.00 C ATOM 947 C VAL X 58 6.645 7.033 4.903 1.00 0.00 C ATOM 948 O VAL X 58 5.962 6.457 4.058 1.00 0.00 O ATOM 949 CB VAL X 58 7.666 6.439 7.216 1.00 0.00 C ATOM 950 CG1 VAL X 58 8.631 7.614 7.411 1.00 0.00 C ATOM 951 CG2 VAL X 58 7.332 5.825 8.564 1.00 0.00 C ATOM 0 H VAL X 58 5.385 5.005 6.102 1.00 0.00 H new ATOM 0 HA VAL X 58 6.055 7.803 6.840 1.00 0.00 H new ATOM 0 HB VAL X 58 8.165 5.689 6.602 1.00 0.00 H new ATOM 0 HG11 VAL X 58 9.506 7.278 7.967 1.00 0.00 H new ATOM 0 HG12 VAL X 58 8.943 7.994 6.438 1.00 0.00 H new ATOM 0 HG13 VAL X 58 8.131 8.407 7.967 1.00 0.00 H new ATOM 0 HG21 VAL X 58 8.254 5.559 9.081 1.00 0.00 H new ATOM 0 HG22 VAL X 58 6.774 6.545 9.163 1.00 0.00 H new ATOM 0 HG23 VAL X 58 6.728 4.930 8.416 1.00 0.00 H new ATOM 961 N ASP X 59 7.584 7.866 4.582 1.00 0.00 N ATOM 962 CA ASP X 59 7.946 8.170 3.246 1.00 0.00 C ATOM 963 C ASP X 59 8.701 7.038 2.615 1.00 0.00 C ATOM 964 O ASP X 59 9.795 6.639 3.037 1.00 0.00 O ATOM 965 CB ASP X 59 8.679 9.525 3.116 1.00 0.00 C ATOM 966 CG ASP X 59 9.969 9.629 3.887 1.00 0.00 C ATOM 967 OD1 ASP X 59 9.931 9.721 5.126 1.00 0.00 O ATOM 968 OD2 ASP X 59 11.052 9.673 3.259 1.00 0.00 O ATOM 0 H ASP X 59 8.137 8.369 5.276 1.00 0.00 H new ATOM 0 HA ASP X 59 7.020 8.289 2.684 1.00 0.00 H new ATOM 0 HB2 ASP X 59 8.888 9.708 2.062 1.00 0.00 H new ATOM 0 HB3 ASP X 59 8.009 10.317 3.450 1.00 0.00 H new ATOM 973 N GLY X 60 8.083 6.526 1.621 1.00 0.00 N ATOM 974 CA GLY X 60 8.535 5.436 0.881 1.00 0.00 C ATOM 975 C GLY X 60 8.077 5.656 -0.505 1.00 0.00 C ATOM 976 O GLY X 60 7.675 4.746 -1.193 1.00 0.00 O ATOM 0 H GLY X 60 7.189 6.889 1.289 1.00 0.00 H new ATOM 0 HA2 GLY X 60 9.622 5.361 0.924 1.00 0.00 H new ATOM 0 HA3 GLY X 60 8.135 4.503 1.279 1.00 0.00 H new ATOM 980 N GLU X 61 8.112 6.917 -0.900 1.00 0.00 N ATOM 981 CA GLU X 61 7.727 7.348 -2.235 1.00 0.00 C ATOM 982 C GLU X 61 8.746 6.837 -3.213 1.00 0.00 C ATOM 983 O GLU X 61 8.485 6.700 -4.407 1.00 0.00 O ATOM 984 CB GLU X 61 7.647 8.876 -2.287 1.00 0.00 C ATOM 985 CG GLU X 61 8.936 9.569 -1.891 1.00 0.00 C ATOM 986 CD GLU X 61 8.796 11.049 -1.772 1.00 0.00 C ATOM 987 OE1 GLU X 61 8.523 11.714 -2.782 1.00 0.00 O ATOM 988 OE2 GLU X 61 8.987 11.581 -0.658 1.00 0.00 O ATOM 0 H GLU X 61 8.413 7.681 -0.295 1.00 0.00 H new ATOM 0 HA GLU X 61 6.745 6.950 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU X 61 7.376 9.182 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU X 61 6.847 9.212 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU X 61 9.280 9.166 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU X 61 9.705 9.342 -2.630 1.00 0.00 H new ATOM 995 N GLU X 62 9.910 6.538 -2.679 1.00 0.00 N ATOM 996 CA GLU X 62 10.959 5.984 -3.438 1.00 0.00 C ATOM 997 C GLU X 62 10.830 4.477 -3.518 1.00 0.00 C ATOM 998 O GLU X 62 11.692 3.837 -4.126 1.00 0.00 O ATOM 999 CB GLU X 62 12.332 6.349 -2.879 1.00 0.00 C ATOM 1000 CG GLU X 62 12.637 7.833 -2.835 1.00 0.00 C ATOM 1001 CD GLU X 62 14.058 8.093 -2.409 1.00 0.00 C ATOM 1002 OE1 GLU X 62 14.413 7.798 -1.247 1.00 0.00 O ATOM 1003 OE2 GLU X 62 14.861 8.588 -3.236 1.00 0.00 O ATOM 0 H GLU X 62 10.136 6.682 -1.695 1.00 0.00 H new ATOM 0 HA GLU X 62 10.878 6.409 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU X 62 12.414 5.947 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU X 62 13.095 5.855 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU X 62 12.465 8.270 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU X 62 11.953 8.326 -2.144 1.00 0.00 H new ATOM 1010 N LEU X 63 9.786 3.863 -2.894 1.00 0.00 N ATOM 1011 CA LEU X 63 9.680 2.410 -3.074 1.00 0.00 C ATOM 1012 C LEU X 63 9.138 2.152 -4.478 1.00 0.00 C ATOM 1013 O LEU X 63 7.953 2.361 -4.760 1.00 0.00 O ATOM 1014 CB LEU X 63 8.780 1.740 -2.010 1.00 0.00 C ATOM 1015 CG LEU X 63 9.139 2.006 -0.540 1.00 0.00 C ATOM 1016 CD1 LEU X 63 8.137 1.330 0.377 1.00 0.00 C ATOM 1017 CD2 LEU X 63 10.550 1.531 -0.226 1.00 0.00 C ATOM 0 H LEU X 63 9.074 4.310 -2.317 1.00 0.00 H new ATOM 0 HA LEU X 63 10.668 1.967 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU X 63 7.754 2.069 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.800 0.663 -2.176 1.00 0.00 H new ATOM 0 HG LEU X 63 9.101 3.082 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU X 63 8.404 1.527 1.415 1.00 0.00 H new ATOM 0 HD12 LEU X 63 7.140 1.722 0.178 1.00 0.00 H new ATOM 0 HD13 LEU X 63 8.147 0.255 0.197 1.00 0.00 H new ATOM 0 HD21 LEU X 63 10.777 1.732 0.821 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.624 0.460 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU X 63 11.262 2.060 -0.860 1.00 0.00 H new ATOM 1029 N ASP X 64 10.026 1.785 -5.373 1.00 0.00 N ATOM 1030 CA ASP X 64 9.661 1.547 -6.739 1.00 0.00 C ATOM 1031 C ASP X 64 9.463 0.088 -7.001 1.00 0.00 C ATOM 1032 O ASP X 64 10.303 -0.727 -6.636 1.00 0.00 O ATOM 1033 CB ASP X 64 10.664 2.132 -7.706 1.00 0.00 C ATOM 1034 CG ASP X 64 10.157 2.050 -9.115 1.00 0.00 C ATOM 1035 OD1 ASP X 64 9.299 2.866 -9.485 1.00 0.00 O ATOM 1036 OD2 ASP X 64 10.594 1.171 -9.866 1.00 0.00 O ATOM 0 H ASP X 64 11.016 1.645 -5.170 1.00 0.00 H new ATOM 0 HA ASP X 64 8.712 2.057 -6.905 1.00 0.00 H new ATOM 0 HB2 ASP X 64 10.862 3.172 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP X 64 11.610 1.597 -7.624 1.00 0.00 H new ATOM 1041 N GLN X 65 8.430 -0.223 -7.736 1.00 0.00 N ATOM 1042 CA GLN X 65 8.019 -1.601 -7.988 1.00 0.00 C ATOM 1043 C GLN X 65 9.043 -2.345 -8.796 1.00 0.00 C ATOM 1044 O GLN X 65 9.200 -3.551 -8.671 1.00 0.00 O ATOM 1045 CB GLN X 65 6.730 -1.604 -8.784 1.00 0.00 C ATOM 1046 CG GLN X 65 5.627 -0.798 -8.169 1.00 0.00 C ATOM 1047 CD GLN X 65 5.254 -1.312 -6.806 1.00 0.00 C ATOM 1048 OE1 GLN X 65 4.389 -2.180 -6.677 1.00 0.00 O ATOM 1049 NE2 GLN X 65 5.883 -0.774 -5.800 1.00 0.00 N ATOM 0 H GLN X 65 7.835 0.472 -8.187 1.00 0.00 H new ATOM 0 HA GLN X 65 7.897 -2.086 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN X 65 6.932 -1.219 -9.784 1.00 0.00 H new ATOM 0 HB3 GLN X 65 6.391 -2.633 -8.901 1.00 0.00 H new ATOM 0 HG2 GLN X 65 5.937 0.244 -8.092 1.00 0.00 H new ATOM 0 HG3 GLN X 65 4.752 -0.823 -8.819 1.00 0.00 H new ATOM 0 HE21 GLN X 65 6.591 -0.059 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN X 65 5.667 -1.068 -4.847 1.00 0.00 H new ATOM 1058 N GLU X 66 9.748 -1.625 -9.606 1.00 0.00 N ATOM 1059 CA GLU X 66 10.618 -2.227 -10.551 1.00 0.00 C ATOM 1060 C GLU X 66 12.023 -2.453 -9.983 1.00 0.00 C ATOM 1061 O GLU X 66 12.840 -3.146 -10.582 1.00 0.00 O ATOM 1062 CB GLU X 66 10.587 -1.400 -11.813 1.00 0.00 C ATOM 1063 CG GLU X 66 9.143 -1.143 -12.275 1.00 0.00 C ATOM 1064 CD GLU X 66 9.046 -0.297 -13.513 1.00 0.00 C ATOM 1065 OE1 GLU X 66 9.599 0.808 -13.530 1.00 0.00 O ATOM 1066 OE2 GLU X 66 8.347 -0.705 -14.477 1.00 0.00 O ATOM 0 H GLU X 66 9.734 -0.605 -9.628 1.00 0.00 H new ATOM 0 HA GLU X 66 10.273 -3.232 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU X 66 11.091 -0.449 -11.640 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.138 -1.914 -12.601 1.00 0.00 H new ATOM 0 HG2 GLU X 66 8.655 -2.100 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU X 66 8.594 -0.656 -11.469 1.00 0.00 H new ATOM 1073 N LYS X 67 12.304 -1.861 -8.823 1.00 0.00 N ATOM 1074 CA LYS X 67 13.568 -2.140 -8.119 1.00 0.00 C ATOM 1075 C LYS X 67 13.288 -3.112 -6.995 1.00 0.00 C ATOM 1076 O LYS X 67 14.186 -3.644 -6.343 1.00 0.00 O ATOM 1077 CB LYS X 67 14.283 -0.870 -7.599 1.00 0.00 C ATOM 1078 CG LYS X 67 14.749 0.077 -8.702 1.00 0.00 C ATOM 1079 CD LYS X 67 13.600 0.871 -9.273 1.00 0.00 C ATOM 1080 CE LYS X 67 13.925 1.466 -10.620 1.00 0.00 C ATOM 1081 NZ LYS X 67 12.775 2.215 -11.159 1.00 0.00 N ATOM 0 H LYS X 67 11.690 -1.196 -8.352 1.00 0.00 H new ATOM 0 HA LYS X 67 14.261 -2.578 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS X 67 13.607 -0.332 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS X 67 15.145 -1.169 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS X 67 15.501 0.758 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.227 -0.496 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS X 67 12.726 0.226 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS X 67 13.334 1.670 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS X 67 14.785 2.129 -10.530 1.00 0.00 H new ATOM 0 HE3 LYS X 67 14.204 0.673 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 12.873 2.308 -12.190 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 11.895 1.706 -10.940 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 12.744 3.161 -10.728 1.00 0.00 H new ATOM 1095 N PHE X 68 12.028 -3.333 -6.810 1.00 0.00 N ATOM 1096 CA PHE X 68 11.483 -4.281 -5.892 1.00 0.00 C ATOM 1097 C PHE X 68 11.500 -5.657 -6.540 1.00 0.00 C ATOM 1098 O PHE X 68 11.396 -5.770 -7.766 1.00 0.00 O ATOM 1099 CB PHE X 68 10.071 -3.882 -5.477 1.00 0.00 C ATOM 1100 CG PHE X 68 9.966 -3.207 -4.130 1.00 0.00 C ATOM 1101 CD1 PHE X 68 10.605 -2.010 -3.850 1.00 0.00 C ATOM 1102 CD2 PHE X 68 9.208 -3.786 -3.146 1.00 0.00 C ATOM 1103 CE1 PHE X 68 10.474 -1.420 -2.598 1.00 0.00 C ATOM 1104 CE2 PHE X 68 9.076 -3.210 -1.903 1.00 0.00 C ATOM 1105 CZ PHE X 68 9.700 -2.037 -1.622 1.00 0.00 C ATOM 0 H PHE X 68 11.308 -2.827 -7.326 1.00 0.00 H new ATOM 0 HA PHE X 68 12.089 -4.305 -4.986 1.00 0.00 H new ATOM 0 HB2 PHE X 68 9.662 -3.213 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE X 68 9.446 -4.775 -5.469 1.00 0.00 H new ATOM 0 HD1 PHE X 68 11.208 -1.533 -4.608 1.00 0.00 H new ATOM 0 HD2 PHE X 68 8.702 -4.718 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE X 68 10.972 -0.486 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE X 68 8.474 -3.693 -1.148 1.00 0.00 H new ATOM 0 HZ PHE X 68 9.596 -1.586 -0.646 1.00 0.00 H new ATOM 1115 N VAL X 69 11.618 -6.685 -5.749 1.00 0.00 N ATOM 1116 CA VAL X 69 11.764 -8.052 -6.244 1.00 0.00 C ATOM 1117 C VAL X 69 10.524 -8.774 -5.765 1.00 0.00 C ATOM 1118 O VAL X 69 9.802 -8.220 -5.017 1.00 0.00 O ATOM 1119 CB VAL X 69 13.017 -8.711 -5.586 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.284 -10.112 -6.108 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.245 -7.833 -5.734 1.00 0.00 C ATOM 0 H VAL X 69 11.617 -6.613 -4.732 1.00 0.00 H new ATOM 0 HA VAL X 69 11.882 -8.088 -7.327 1.00 0.00 H new ATOM 0 HB VAL X 69 12.792 -8.808 -4.524 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.166 -10.522 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.424 -10.748 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.454 -10.073 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.100 -8.321 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.453 -7.674 -6.792 1.00 0.00 H new ATOM 0 HG23 VAL X 69 14.066 -6.872 -5.251 1.00 0.00 H new ATOM 1131 N VAL X 70 10.202 -9.913 -6.261 1.00 0.00 N ATOM 1132 CA VAL X 70 8.960 -10.533 -5.847 1.00 0.00 C ATOM 1133 C VAL X 70 9.011 -11.291 -4.535 1.00 0.00 C ATOM 1134 O VAL X 70 9.822 -12.198 -4.349 1.00 0.00 O ATOM 1135 CB VAL X 70 8.316 -11.384 -6.952 1.00 0.00 C ATOM 1136 CG1 VAL X 70 9.274 -12.444 -7.487 1.00 0.00 C ATOM 1137 CG2 VAL X 70 7.004 -12.024 -6.492 1.00 0.00 C ATOM 0 H VAL X 70 10.754 -10.438 -6.939 1.00 0.00 H new ATOM 0 HA VAL X 70 8.314 -9.676 -5.656 1.00 0.00 H new ATOM 0 HB VAL X 70 8.084 -10.701 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL X 70 8.778 -13.023 -8.266 1.00 0.00 H new ATOM 0 HG12 VAL X 70 10.158 -11.959 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL X 70 9.572 -13.108 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL X 70 6.584 -12.616 -7.305 1.00 0.00 H new ATOM 0 HG22 VAL X 70 7.195 -12.669 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL X 70 6.298 -11.243 -6.209 1.00 0.00 H new ATOM 1147 N ASP X 71 8.187 -10.849 -3.602 1.00 0.00 N ATOM 1148 CA ASP X 71 7.897 -11.634 -2.426 1.00 0.00 C ATOM 1149 C ASP X 71 6.521 -12.201 -2.621 1.00 0.00 C ATOM 1150 O ASP X 71 5.521 -11.491 -2.529 1.00 0.00 O ATOM 1151 CB ASP X 71 7.981 -10.822 -1.163 1.00 0.00 C ATOM 1152 CG ASP X 71 7.742 -11.641 0.067 1.00 0.00 C ATOM 1153 OD1 ASP X 71 8.379 -12.713 0.226 1.00 0.00 O ATOM 1154 OD2 ASP X 71 6.914 -11.251 0.882 1.00 0.00 O ATOM 0 H ASP X 71 7.709 -9.949 -3.640 1.00 0.00 H new ATOM 0 HA ASP X 71 8.637 -12.426 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP X 71 8.965 -10.357 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP X 71 7.249 -10.015 -1.205 1.00 0.00 H new ATOM 1159 N GLU X 72 6.499 -13.465 -2.936 1.00 0.00 N ATOM 1160 CA GLU X 72 5.329 -14.206 -3.390 1.00 0.00 C ATOM 1161 C GLU X 72 4.122 -14.116 -2.455 1.00 0.00 C ATOM 1162 O GLU X 72 2.975 -14.229 -2.900 1.00 0.00 O ATOM 1163 CB GLU X 72 5.674 -15.692 -3.624 1.00 0.00 C ATOM 1164 CG GLU X 72 6.963 -15.960 -4.411 1.00 0.00 C ATOM 1165 CD GLU X 72 8.206 -15.992 -3.536 1.00 0.00 C ATOM 1166 OE1 GLU X 72 8.669 -14.949 -3.081 1.00 0.00 O ATOM 1167 OE2 GLU X 72 8.739 -17.091 -3.281 1.00 0.00 O ATOM 0 H GLU X 72 7.335 -14.048 -2.884 1.00 0.00 H new ATOM 0 HA GLU X 72 5.041 -13.726 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU X 72 5.753 -16.185 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU X 72 4.843 -16.160 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU X 72 6.870 -16.912 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU X 72 7.083 -15.189 -5.172 1.00 0.00 H new ATOM 1174 N ASN X 73 4.358 -13.926 -1.182 1.00 0.00 N ATOM 1175 CA ASN X 73 3.241 -13.903 -0.238 1.00 0.00 C ATOM 1176 C ASN X 73 2.791 -12.480 0.109 1.00 0.00 C ATOM 1177 O ASN X 73 2.011 -12.285 1.039 1.00 0.00 O ATOM 1178 CB ASN X 73 3.517 -14.764 1.034 1.00 0.00 C ATOM 1179 CG ASN X 73 4.411 -14.152 2.124 1.00 0.00 C ATOM 1180 OD1 ASN X 73 5.312 -13.290 1.784 1.00 0.00 O flip ATOM 1181 ND2 ASN X 73 4.261 -14.489 3.298 1.00 0.00 N flip ATOM 0 H ASN X 73 5.281 -13.787 -0.772 1.00 0.00 H new ATOM 0 HA ASN X 73 2.402 -14.372 -0.752 1.00 0.00 H new ATOM 0 HB2 ASN X 73 2.557 -15.013 1.487 1.00 0.00 H new ATOM 0 HB3 ASN X 73 3.971 -15.702 0.714 1.00 0.00 H new ATOM 0 HD21 ASN X 73 3.544 -15.171 3.545 1.00 0.00 H new ATOM 0 HD22 ASN X 73 4.854 -14.086 4.024 1.00 0.00 H new ATOM 1188 N PHE X 74 3.252 -11.502 -0.665 1.00 0.00 N ATOM 1189 CA PHE X 74 2.875 -10.107 -0.472 1.00 0.00 C ATOM 1190 C PHE X 74 2.460 -9.420 -1.787 1.00 0.00 C ATOM 1191 O PHE X 74 3.043 -9.650 -2.839 1.00 0.00 O ATOM 1192 CB PHE X 74 3.991 -9.310 0.265 1.00 0.00 C ATOM 1193 CG PHE X 74 3.792 -9.258 1.766 1.00 0.00 C ATOM 1194 CD1 PHE X 74 3.945 -10.384 2.553 1.00 0.00 C ATOM 1195 CD2 PHE X 74 3.398 -8.079 2.373 1.00 0.00 C ATOM 1196 CE1 PHE X 74 3.694 -10.339 3.910 1.00 0.00 C ATOM 1197 CE2 PHE X 74 3.160 -8.024 3.728 1.00 0.00 C ATOM 1198 CZ PHE X 74 3.300 -9.157 4.500 1.00 0.00 C ATOM 0 H PHE X 74 3.896 -11.654 -1.441 1.00 0.00 H new ATOM 0 HA PHE X 74 1.993 -10.108 0.168 1.00 0.00 H new ATOM 0 HB2 PHE X 74 4.958 -9.765 0.048 1.00 0.00 H new ATOM 0 HB3 PHE X 74 4.022 -8.293 -0.127 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.265 -11.311 2.101 1.00 0.00 H new ATOM 0 HD2 PHE X 74 3.275 -7.188 1.775 1.00 0.00 H new ATOM 0 HE1 PHE X 74 3.806 -11.230 4.510 1.00 0.00 H new ATOM 0 HE2 PHE X 74 2.863 -7.092 4.186 1.00 0.00 H new ATOM 0 HZ PHE X 74 3.102 -9.119 5.561 1.00 0.00 H new ATOM 1208 N THR X 75 1.496 -8.532 -1.693 1.00 0.00 N ATOM 1209 CA THR X 75 0.960 -7.782 -2.811 1.00 0.00 C ATOM 1210 C THR X 75 1.241 -6.329 -2.544 1.00 0.00 C ATOM 1211 O THR X 75 1.105 -5.857 -1.397 1.00 0.00 O ATOM 1212 CB THR X 75 -0.562 -8.049 -2.905 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.198 -7.824 -1.669 1.00 0.00 O ATOM 1214 CG2 THR X 75 -0.802 -9.481 -3.350 1.00 0.00 C ATOM 0 H THR X 75 1.047 -8.303 -0.806 1.00 0.00 H new ATOM 0 HA THR X 75 1.414 -8.076 -3.757 1.00 0.00 H new ATOM 0 HB THR X 75 -0.984 -7.358 -3.635 1.00 0.00 H new ATOM 0 HG1 THR X 75 -1.862 -7.110 -1.768 1.00 0.00 H new ATOM 0 HG21 THR X 75 -1.874 -9.667 -3.415 1.00 0.00 H new ATOM 0 HG22 THR X 75 -0.346 -9.640 -4.327 1.00 0.00 H new ATOM 0 HG23 THR X 75 -0.359 -10.166 -2.627 1.00 0.00 H new ATOM 1222 N GLU X 76 1.731 -5.616 -3.551 1.00 0.00 N ATOM 1223 CA GLU X 76 2.159 -4.278 -3.323 1.00 0.00 C ATOM 1224 C GLU X 76 1.368 -3.310 -4.124 1.00 0.00 C ATOM 1225 O GLU X 76 1.252 -3.430 -5.359 1.00 0.00 O ATOM 1226 CB GLU X 76 3.643 -4.147 -3.550 1.00 0.00 C ATOM 1227 CG GLU X 76 4.199 -2.783 -3.294 1.00 0.00 C ATOM 1228 CD GLU X 76 5.669 -2.865 -3.123 1.00 0.00 C ATOM 1229 OE1 GLU X 76 6.115 -3.897 -2.573 1.00 0.00 O ATOM 1230 OE2 GLU X 76 6.372 -1.944 -3.490 1.00 0.00 O ATOM 0 H GLU X 76 1.833 -5.950 -4.509 1.00 0.00 H new ATOM 0 HA GLU X 76 1.973 -4.031 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.159 -4.861 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU X 76 3.865 -4.427 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU X 76 3.957 -2.120 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU X 76 3.743 -2.356 -2.401 1.00 0.00 H new ATOM 1237 N ASN X 77 0.800 -2.383 -3.430 1.00 0.00 N ATOM 1238 CA ASN X 77 -0.064 -1.437 -4.009 1.00 0.00 C ATOM 1239 C ASN X 77 0.332 -0.064 -3.473 1.00 0.00 C ATOM 1240 O ASN X 77 0.670 0.078 -2.285 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.512 -1.820 -3.638 1.00 0.00 C ATOM 1242 CG ASN X 77 -1.807 -1.662 -2.164 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -2.131 -0.600 -1.714 1.00 0.00 O ATOM 1244 ND2 ASN X 77 -1.754 -2.741 -1.423 1.00 0.00 N ATOM 0 H ASN X 77 0.932 -2.268 -2.425 1.00 0.00 H new ATOM 0 HA ASN X 77 0.006 -1.414 -5.097 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -2.203 -1.201 -4.209 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.694 -2.854 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -1.993 -2.692 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -1.474 -3.630 -1.837 1.00 0.00 H new ATOM 1251 N TYR X 78 0.402 0.909 -4.331 1.00 0.00 N ATOM 1252 CA TYR X 78 0.777 2.224 -3.894 1.00 0.00 C ATOM 1253 C TYR X 78 -0.073 3.304 -4.549 1.00 0.00 C ATOM 1254 O TYR X 78 -0.431 3.184 -5.729 1.00 0.00 O ATOM 1255 CB TYR X 78 2.304 2.455 -4.057 1.00 0.00 C ATOM 1256 CG TYR X 78 2.873 2.618 -5.461 1.00 0.00 C ATOM 1257 CD1 TYR X 78 2.601 1.720 -6.491 1.00 0.00 C ATOM 1258 CD2 TYR X 78 3.738 3.672 -5.728 1.00 0.00 C ATOM 1259 CE1 TYR X 78 3.175 1.878 -7.743 1.00 0.00 C ATOM 1260 CE2 TYR X 78 4.306 3.839 -6.970 1.00 0.00 C ATOM 1261 CZ TYR X 78 4.024 2.947 -7.973 1.00 0.00 C ATOM 1262 OH TYR X 78 4.612 3.114 -9.209 1.00 0.00 O ATOM 0 H TYR X 78 0.207 0.821 -5.328 1.00 0.00 H new ATOM 0 HA TYR X 78 0.569 2.298 -2.827 1.00 0.00 H new ATOM 0 HB2 TYR X 78 2.566 3.347 -3.488 1.00 0.00 H new ATOM 0 HB3 TYR X 78 2.817 1.616 -3.588 1.00 0.00 H new ATOM 0 HD1 TYR X 78 1.934 0.890 -6.312 1.00 0.00 H new ATOM 0 HD2 TYR X 78 3.970 4.376 -4.943 1.00 0.00 H new ATOM 0 HE1 TYR X 78 2.962 1.173 -8.533 1.00 0.00 H new ATOM 0 HE2 TYR X 78 4.971 4.669 -7.154 1.00 0.00 H new ATOM 0 HH TYR X 78 5.177 3.915 -9.197 1.00 0.00 H new ATOM 1272 N LEU X 79 -0.434 4.322 -3.771 1.00 0.00 N ATOM 1273 CA LEU X 79 -1.230 5.459 -4.245 1.00 0.00 C ATOM 1274 C LEU X 79 -0.498 6.107 -5.396 1.00 0.00 C ATOM 1275 O LEU X 79 0.598 6.647 -5.214 1.00 0.00 O ATOM 1276 CB LEU X 79 -1.410 6.507 -3.129 1.00 0.00 C ATOM 1277 CG LEU X 79 -2.348 7.687 -3.447 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -3.782 7.259 -3.393 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -2.118 8.858 -2.527 1.00 0.00 C ATOM 0 H LEU X 79 -0.182 4.384 -2.785 1.00 0.00 H new ATOM 0 HA LEU X 79 -2.212 5.099 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -1.787 6.000 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -0.429 6.908 -2.875 1.00 0.00 H new ATOM 0 HG LEU X 79 -2.115 8.013 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -4.424 8.110 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -3.954 6.469 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -4.013 6.887 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -2.801 9.666 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -2.296 8.551 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -1.090 9.205 -2.630 1.00 0.00 H new ATOM 1291 N THR X 80 -1.043 6.001 -6.566 1.00 0.00 N ATOM 1292 CA THR X 80 -0.406 6.555 -7.708 1.00 0.00 C ATOM 1293 C THR X 80 -1.350 7.494 -8.442 1.00 0.00 C ATOM 1294 O THR X 80 -2.322 7.058 -9.050 1.00 0.00 O ATOM 1295 CB THR X 80 0.100 5.431 -8.639 1.00 0.00 C ATOM 1296 OG1 THR X 80 0.925 4.528 -7.873 1.00 0.00 O ATOM 1297 CG2 THR X 80 0.922 5.992 -9.780 1.00 0.00 C ATOM 0 H THR X 80 -1.930 5.534 -6.751 1.00 0.00 H new ATOM 0 HA THR X 80 0.456 7.136 -7.381 1.00 0.00 H new ATOM 0 HB THR X 80 -0.764 4.913 -9.056 1.00 0.00 H new ATOM 0 HG1 THR X 80 0.374 4.067 -7.207 1.00 0.00 H new ATOM 0 HG21 THR X 80 1.264 5.177 -10.418 1.00 0.00 H new ATOM 0 HG22 THR X 80 0.311 6.679 -10.366 1.00 0.00 H new ATOM 0 HG23 THR X 80 1.784 6.525 -9.379 1.00 0.00 H new ATOM 1305 N ASP X 81 -1.069 8.777 -8.320 1.00 0.00 N ATOM 1306 CA ASP X 81 -1.793 9.847 -9.004 1.00 0.00 C ATOM 1307 C ASP X 81 -3.242 9.943 -8.620 1.00 0.00 C ATOM 1308 O ASP X 81 -4.148 9.712 -9.438 1.00 0.00 O ATOM 1309 CB ASP X 81 -1.610 9.846 -10.531 1.00 0.00 C ATOM 1310 CG ASP X 81 -0.256 10.335 -10.960 1.00 0.00 C ATOM 1311 OD1 ASP X 81 -0.064 11.562 -11.081 1.00 0.00 O ATOM 1312 OD2 ASP X 81 0.649 9.516 -11.210 1.00 0.00 O ATOM 0 H ASP X 81 -0.312 9.120 -7.728 1.00 0.00 H new ATOM 0 HA ASP X 81 -1.317 10.756 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP X 81 -1.762 8.835 -10.909 1.00 0.00 H new ATOM 0 HB3 ASP X 81 -2.377 10.474 -10.984 1.00 0.00 H new ATOM 1317 N CYS X 82 -3.456 10.252 -7.386 1.00 0.00 N ATOM 1318 CA CYS X 82 -4.771 10.490 -6.857 1.00 0.00 C ATOM 1319 C CYS X 82 -4.702 11.733 -5.995 1.00 0.00 C ATOM 1320 O CYS X 82 -5.179 12.799 -6.377 1.00 0.00 O ATOM 1321 CB CYS X 82 -5.261 9.313 -6.000 1.00 0.00 C ATOM 1322 SG CYS X 82 -5.597 7.736 -6.853 1.00 0.00 S ATOM 0 H CYS X 82 -2.711 10.350 -6.696 1.00 0.00 H new ATOM 0 HA CYS X 82 -5.470 10.611 -7.684 1.00 0.00 H new ATOM 0 HB2 CYS X 82 -4.515 9.126 -5.227 1.00 0.00 H new ATOM 0 HB3 CYS X 82 -6.175 9.623 -5.493 1.00 0.00 H new ATOM 1327 N GLU X 83 -4.032 11.575 -4.843 1.00 0.00 N ATOM 1328 CA GLU X 83 -3.794 12.612 -3.826 1.00 0.00 C ATOM 1329 C GLU X 83 -5.054 13.415 -3.431 1.00 0.00 C ATOM 1330 O GLU X 83 -4.964 14.482 -2.832 1.00 0.00 O ATOM 1331 CB GLU X 83 -2.617 13.523 -4.231 1.00 0.00 C ATOM 1332 CG GLU X 83 -1.251 12.800 -4.353 1.00 0.00 C ATOM 1333 CD GLU X 83 -1.157 11.832 -5.529 1.00 0.00 C ATOM 1334 OE1 GLU X 83 -1.565 10.662 -5.411 1.00 0.00 O ATOM 1335 OE2 GLU X 83 -0.694 12.242 -6.605 1.00 0.00 O ATOM 0 H GLU X 83 -3.622 10.678 -4.583 1.00 0.00 H new ATOM 0 HA GLU X 83 -3.515 12.083 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU X 83 -2.851 13.993 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU X 83 -2.525 14.323 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU X 83 -0.464 13.548 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU X 83 -1.059 12.252 -3.430 1.00 0.00 H new ATOM 1342 N GLY X 84 -6.196 12.844 -3.685 1.00 0.00 N ATOM 1343 CA GLY X 84 -7.454 13.446 -3.399 1.00 0.00 C ATOM 1344 C GLY X 84 -8.472 12.363 -3.347 1.00 0.00 C ATOM 1345 O GLY X 84 -8.119 11.194 -3.576 1.00 0.00 O ATOM 0 H GLY X 84 -6.273 11.920 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY X 84 -7.415 13.980 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY X 84 -7.712 14.177 -4.166 1.00 0.00 H new ATOM 1349 N LYS X 85 -9.698 12.690 -3.053 1.00 0.00 N ATOM 1350 CA LYS X 85 -10.713 11.680 -2.970 1.00 0.00 C ATOM 1351 C LYS X 85 -11.683 11.792 -4.137 1.00 0.00 C ATOM 1352 O LYS X 85 -11.476 11.164 -5.184 1.00 0.00 O ATOM 1353 CB LYS X 85 -11.492 11.695 -1.619 1.00 0.00 C ATOM 1354 CG LYS X 85 -10.674 11.463 -0.334 1.00 0.00 C ATOM 1355 CD LYS X 85 -9.834 12.679 0.053 1.00 0.00 C ATOM 1356 CE LYS X 85 -9.074 12.468 1.350 1.00 0.00 C ATOM 1357 NZ LYS X 85 -9.978 12.227 2.496 1.00 0.00 N ATOM 0 H LYS X 85 -10.017 13.641 -2.868 1.00 0.00 H new ATOM 0 HA LYS X 85 -10.192 10.724 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS X 85 -11.996 12.657 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS X 85 -12.269 10.932 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS X 85 -11.351 11.218 0.484 1.00 0.00 H new ATOM 0 HG3 LYS X 85 -10.019 10.603 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS X 85 -9.127 12.899 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS X 85 -10.483 13.549 0.153 1.00 0.00 H new ATOM 0 HE2 LYS X 85 -8.398 11.620 1.239 1.00 0.00 H new ATOM 0 HE3 LYS X 85 -8.457 13.343 1.554 1.00 0.00 H new ATOM 0 HZ1 LYS X 85 -9.442 12.308 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS X 85 -10.743 12.931 2.488 1.00 0.00 H new ATOM 0 HZ3 LYS X 85 -10.385 11.273 2.423 1.00 0.00 H new ATOM 1371 N ASP X 86 -12.689 12.664 -3.972 1.00 0.00 N ATOM 1372 CA ASP X 86 -13.813 12.858 -4.920 1.00 0.00 C ATOM 1373 C ASP X 86 -14.596 11.564 -5.108 1.00 0.00 C ATOM 1374 O ASP X 86 -15.624 11.341 -4.457 1.00 0.00 O ATOM 1375 CB ASP X 86 -13.366 13.455 -6.270 1.00 0.00 C ATOM 1376 CG ASP X 86 -14.515 13.631 -7.241 1.00 0.00 C ATOM 1377 OD1 ASP X 86 -15.474 14.372 -6.926 1.00 0.00 O ATOM 1378 OD2 ASP X 86 -14.481 13.032 -8.340 1.00 0.00 O ATOM 0 H ASP X 86 -12.751 13.273 -3.156 1.00 0.00 H new ATOM 0 HA ASP X 86 -14.478 13.596 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP X 86 -12.892 14.421 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP X 86 -12.613 12.806 -6.718 1.00 0.00 H new ATOM 1383 N ALA X 87 -14.084 10.717 -5.939 1.00 0.00 N ATOM 1384 CA ALA X 87 -14.610 9.412 -6.177 1.00 0.00 C ATOM 1385 C ALA X 87 -13.462 8.464 -5.944 1.00 0.00 C ATOM 1386 O ALA X 87 -12.599 8.283 -6.814 1.00 0.00 O ATOM 1387 CB ALA X 87 -15.152 9.293 -7.592 1.00 0.00 C ATOM 0 H ALA X 87 -13.253 10.923 -6.494 1.00 0.00 H new ATOM 0 HA ALA X 87 -15.448 9.188 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA X 87 -15.547 8.289 -7.747 1.00 0.00 H new ATOM 0 HB2 ALA X 87 -15.948 10.023 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA X 87 -14.350 9.482 -8.306 1.00 0.00 H new ATOM 1393 N GLY X 88 -13.397 7.936 -4.766 1.00 0.00 N ATOM 1394 CA GLY X 88 -12.267 7.155 -4.388 1.00 0.00 C ATOM 1395 C GLY X 88 -12.624 5.739 -4.115 1.00 0.00 C ATOM 1396 O GLY X 88 -13.275 5.440 -3.108 1.00 0.00 O ATOM 0 H GLY X 88 -14.115 8.032 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY X 88 -11.521 7.192 -5.182 1.00 0.00 H new ATOM 0 HA3 GLY X 88 -11.809 7.589 -3.499 1.00 0.00 H new ATOM 1400 N ASN X 89 -12.230 4.883 -5.010 1.00 0.00 N ATOM 1401 CA ASN X 89 -12.433 3.458 -4.896 1.00 0.00 C ATOM 1402 C ASN X 89 -11.458 2.764 -5.803 1.00 0.00 C ATOM 1403 O ASN X 89 -11.390 3.078 -6.994 1.00 0.00 O ATOM 1404 CB ASN X 89 -13.867 3.058 -5.280 1.00 0.00 C ATOM 1405 CG ASN X 89 -14.060 1.546 -5.296 1.00 0.00 C ATOM 1406 OD1 ASN X 89 -13.889 0.893 -6.323 1.00 0.00 O ATOM 1407 ND2 ASN X 89 -14.418 0.982 -4.187 1.00 0.00 N ATOM 0 H ASN X 89 -11.745 5.157 -5.864 1.00 0.00 H new ATOM 0 HA ASN X 89 -12.274 3.164 -3.859 1.00 0.00 H new ATOM 0 HB2 ASN X 89 -14.568 3.504 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN X 89 -14.104 3.463 -6.264 1.00 0.00 H new ATOM 0 HD21 ASN X 89 -14.565 -0.027 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN X 89 -14.553 1.546 -3.348 1.00 0.00 H new ATOM 1414 N ALA X 90 -10.674 1.873 -5.263 1.00 0.00 N ATOM 1415 CA ALA X 90 -9.739 1.132 -6.077 1.00 0.00 C ATOM 1416 C ALA X 90 -9.546 -0.273 -5.566 1.00 0.00 C ATOM 1417 O ALA X 90 -8.784 -0.516 -4.621 1.00 0.00 O ATOM 1418 CB ALA X 90 -8.405 1.852 -6.210 1.00 0.00 C ATOM 0 H ALA X 90 -10.660 1.640 -4.270 1.00 0.00 H new ATOM 0 HA ALA X 90 -10.176 1.066 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA X 90 -7.732 1.260 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA X 90 -8.562 2.826 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA X 90 -7.964 1.987 -5.222 1.00 0.00 H new ATOM 1424 N ALA X 91 -10.240 -1.190 -6.161 1.00 0.00 N ATOM 1425 CA ALA X 91 -10.133 -2.563 -5.783 1.00 0.00 C ATOM 1426 C ALA X 91 -9.111 -3.268 -6.663 1.00 0.00 C ATOM 1427 O ALA X 91 -9.446 -3.864 -7.698 1.00 0.00 O ATOM 1428 CB ALA X 91 -11.484 -3.249 -5.830 1.00 0.00 C ATOM 0 H ALA X 91 -10.896 -1.009 -6.921 1.00 0.00 H new ATOM 0 HA ALA X 91 -9.785 -2.617 -4.751 1.00 0.00 H new ATOM 0 HB1 ALA X 91 -11.372 -4.293 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA X 91 -12.169 -2.751 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA X 91 -11.884 -3.197 -6.843 1.00 0.00 H new ATOM 1434 N GLY X 92 -7.863 -3.122 -6.297 1.00 0.00 N ATOM 1435 CA GLY X 92 -6.797 -3.744 -7.037 1.00 0.00 C ATOM 1436 C GLY X 92 -5.749 -4.328 -6.134 1.00 0.00 C ATOM 1437 O GLY X 92 -4.751 -4.880 -6.596 1.00 0.00 O ATOM 0 H GLY X 92 -7.561 -2.577 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY X 92 -7.207 -4.530 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY X 92 -6.337 -3.009 -7.697 1.00 0.00 H new ATOM 1441 N THR X 93 -5.994 -4.265 -4.856 1.00 0.00 N ATOM 1442 CA THR X 93 -5.054 -4.707 -3.868 1.00 0.00 C ATOM 1443 C THR X 93 -4.935 -6.241 -3.896 1.00 0.00 C ATOM 1444 O THR X 93 -5.912 -6.950 -3.606 1.00 0.00 O ATOM 1445 CB THR X 93 -5.511 -4.177 -2.498 1.00 0.00 C ATOM 1446 OG1 THR X 93 -6.921 -4.420 -2.329 1.00 0.00 O ATOM 1447 CG2 THR X 93 -5.268 -2.691 -2.407 1.00 0.00 C ATOM 0 H THR X 93 -6.864 -3.900 -4.467 1.00 0.00 H new ATOM 0 HA THR X 93 -4.058 -4.316 -4.076 1.00 0.00 H new ATOM 0 HB THR X 93 -4.944 -4.691 -1.722 1.00 0.00 H new ATOM 0 HG1 THR X 93 -7.145 -5.306 -2.684 1.00 0.00 H new ATOM 0 HG21 THR X 93 -5.596 -2.328 -1.433 1.00 0.00 H new ATOM 0 HG22 THR X 93 -4.204 -2.488 -2.531 1.00 0.00 H new ATOM 0 HG23 THR X 93 -5.828 -2.182 -3.191 1.00 0.00 H new ATOM 1455 N GLY X 94 -3.739 -6.764 -4.268 1.00 0.00 N ATOM 1456 CA GLY X 94 -3.607 -8.187 -4.475 1.00 0.00 C ATOM 1457 C GLY X 94 -4.474 -8.734 -5.593 1.00 0.00 C ATOM 1458 O GLY X 94 -4.767 -9.915 -5.612 1.00 0.00 O ATOM 0 H GLY X 94 -2.889 -6.222 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY X 94 -2.564 -8.416 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY X 94 -3.859 -8.703 -3.549 1.00 0.00 H new ATOM 1462 N ASP X 95 -4.884 -7.886 -6.518 1.00 0.00 N ATOM 1463 CA ASP X 95 -5.760 -8.329 -7.611 1.00 0.00 C ATOM 1464 C ASP X 95 -4.965 -8.846 -8.810 1.00 0.00 C ATOM 1465 O ASP X 95 -5.384 -9.785 -9.503 1.00 0.00 O ATOM 1466 CB ASP X 95 -6.710 -7.202 -8.034 1.00 0.00 C ATOM 1467 CG ASP X 95 -7.604 -7.581 -9.192 1.00 0.00 C ATOM 1468 OD1 ASP X 95 -8.522 -8.407 -9.010 1.00 0.00 O ATOM 1469 OD2 ASP X 95 -7.408 -7.066 -10.298 1.00 0.00 O ATOM 0 H ASP X 95 -4.634 -6.897 -6.544 1.00 0.00 H new ATOM 0 HA ASP X 95 -6.353 -9.162 -7.234 1.00 0.00 H new ATOM 0 HB2 ASP X 95 -7.329 -6.919 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP X 95 -6.124 -6.325 -8.308 1.00 0.00 H new ATOM 1474 N GLU X 96 -3.818 -8.251 -9.044 1.00 0.00 N ATOM 1475 CA GLU X 96 -2.977 -8.636 -10.161 1.00 0.00 C ATOM 1476 C GLU X 96 -2.071 -9.781 -9.694 1.00 0.00 C ATOM 1477 O GLU X 96 -1.712 -9.843 -8.500 1.00 0.00 O ATOM 1478 CB GLU X 96 -2.159 -7.404 -10.644 1.00 0.00 C ATOM 1479 CG GLU X 96 -1.692 -7.403 -12.122 1.00 0.00 C ATOM 1480 CD GLU X 96 -0.684 -8.470 -12.479 1.00 0.00 C ATOM 1481 OE1 GLU X 96 0.518 -8.271 -12.253 1.00 0.00 O ATOM 1482 OE2 GLU X 96 -1.083 -9.542 -12.981 1.00 0.00 O ATOM 0 H GLU X 96 -3.442 -7.494 -8.474 1.00 0.00 H new ATOM 0 HA GLU X 96 -3.572 -8.980 -11.007 1.00 0.00 H new ATOM 0 HB2 GLU X 96 -2.762 -6.511 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU X 96 -1.277 -7.314 -10.010 1.00 0.00 H new ATOM 0 HG2 GLU X 96 -2.566 -7.523 -12.762 1.00 0.00 H new ATOM 0 HG3 GLU X 96 -1.261 -6.428 -12.349 1.00 0.00 H new ATOM 1489 N SER X 97 -1.727 -10.653 -10.635 1.00 0.00 N ATOM 1490 CA SER X 97 -0.899 -11.831 -10.448 1.00 0.00 C ATOM 1491 C SER X 97 -1.667 -12.980 -9.781 1.00 0.00 C ATOM 1492 O SER X 97 -1.727 -13.093 -8.556 1.00 0.00 O ATOM 1493 CB SER X 97 0.420 -11.500 -9.729 1.00 0.00 C ATOM 1494 OG SER X 97 1.099 -10.429 -10.390 1.00 0.00 O ATOM 0 H SER X 97 -2.037 -10.548 -11.601 1.00 0.00 H new ATOM 0 HA SER X 97 -0.625 -12.188 -11.441 1.00 0.00 H new ATOM 0 HB2 SER X 97 0.217 -11.225 -8.694 1.00 0.00 H new ATOM 0 HB3 SER X 97 1.059 -12.383 -9.705 1.00 0.00 H new ATOM 0 HG SER X 97 1.935 -10.231 -9.918 1.00 0.00 H new ATOM 1500 N ASP X 98 -2.258 -13.815 -10.609 1.00 0.00 N ATOM 1501 CA ASP X 98 -3.029 -14.970 -10.161 1.00 0.00 C ATOM 1502 C ASP X 98 -2.106 -16.172 -10.155 1.00 0.00 C ATOM 1503 O ASP X 98 -1.489 -16.482 -11.192 1.00 0.00 O ATOM 1504 CB ASP X 98 -4.180 -15.297 -11.148 1.00 0.00 C ATOM 1505 CG ASP X 98 -5.177 -14.181 -11.408 1.00 0.00 C ATOM 1506 OD1 ASP X 98 -4.900 -13.297 -12.261 1.00 0.00 O ATOM 1507 OD2 ASP X 98 -6.270 -14.192 -10.821 1.00 0.00 O ATOM 0 H ASP X 98 -2.220 -13.716 -11.623 1.00 0.00 H new ATOM 0 HA ASP X 98 -3.443 -14.748 -9.177 1.00 0.00 H new ATOM 0 HB2 ASP X 98 -3.741 -15.593 -12.101 1.00 0.00 H new ATOM 0 HB3 ASP X 98 -4.724 -16.161 -10.766 1.00 0.00 H new ATOM 1512 N GLU X 99 -1.947 -16.822 -9.028 1.00 0.00 N ATOM 1513 CA GLU X 99 -1.141 -18.025 -8.989 1.00 0.00 C ATOM 1514 C GLU X 99 -1.997 -19.259 -8.785 1.00 0.00 C ATOM 1515 O GLU X 99 -2.089 -20.102 -9.678 1.00 0.00 O ATOM 1516 CB GLU X 99 -0.023 -17.951 -7.946 1.00 0.00 C ATOM 1517 CG GLU X 99 0.710 -19.265 -7.748 1.00 0.00 C ATOM 1518 CD GLU X 99 1.847 -19.165 -6.792 1.00 0.00 C ATOM 1519 OE1 GLU X 99 1.619 -19.149 -5.569 1.00 0.00 O ATOM 1520 OE2 GLU X 99 3.004 -19.138 -7.253 1.00 0.00 O ATOM 0 H GLU X 99 -2.357 -16.546 -8.136 1.00 0.00 H new ATOM 0 HA GLU X 99 -0.658 -18.105 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU X 99 0.693 -17.187 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU X 99 -0.447 -17.634 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU X 99 0.006 -20.015 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU X 99 1.083 -19.614 -8.711 1.00 0.00 H new ATOM 1527 N VAL X 100 -2.617 -19.375 -7.635 1.00 0.00 N ATOM 1528 CA VAL X 100 -3.420 -20.545 -7.342 1.00 0.00 C ATOM 1529 C VAL X 100 -4.849 -20.332 -7.815 1.00 0.00 C ATOM 1530 O VAL X 100 -5.302 -20.985 -8.760 1.00 0.00 O ATOM 1531 CB VAL X 100 -3.400 -20.917 -5.831 1.00 0.00 C ATOM 1532 CG1 VAL X 100 -4.177 -22.205 -5.573 1.00 0.00 C ATOM 1533 CG2 VAL X 100 -1.968 -21.046 -5.319 1.00 0.00 C ATOM 0 H VAL X 100 -2.584 -18.680 -6.889 1.00 0.00 H new ATOM 0 HA VAL X 100 -2.979 -21.382 -7.883 1.00 0.00 H new ATOM 0 HB VAL X 100 -3.888 -20.110 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL X 100 -4.147 -22.441 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL X 100 -5.213 -22.074 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL X 100 -3.727 -23.021 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL X 100 -1.982 -21.306 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL X 100 -1.451 -21.826 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL X 100 -1.447 -20.098 -5.452 1.00 0.00 H new ATOM 1543 N ASP X 101 -5.540 -19.407 -7.194 1.00 0.00 N ATOM 1544 CA ASP X 101 -6.922 -19.109 -7.572 1.00 0.00 C ATOM 1545 C ASP X 101 -6.982 -17.715 -8.149 1.00 0.00 C ATOM 1546 O ASP X 101 -6.852 -17.541 -9.361 1.00 0.00 O ATOM 1547 CB ASP X 101 -7.891 -19.280 -6.380 1.00 0.00 C ATOM 1548 CG ASP X 101 -9.353 -18.990 -6.721 1.00 0.00 C ATOM 1549 OD1 ASP X 101 -10.044 -19.875 -7.274 1.00 0.00 O ATOM 1550 OD2 ASP X 101 -9.841 -17.890 -6.418 1.00 0.00 O ATOM 0 H ASP X 101 -5.179 -18.842 -6.425 1.00 0.00 H new ATOM 0 HA ASP X 101 -7.247 -19.822 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP X 101 -7.812 -20.300 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP X 101 -7.578 -18.617 -5.573 1.00 0.00 H new ATOM 1555 N GLU X 102 -7.120 -16.726 -7.291 1.00 0.00 N ATOM 1556 CA GLU X 102 -7.045 -15.328 -7.687 1.00 0.00 C ATOM 1557 C GLU X 102 -5.748 -14.775 -7.084 1.00 0.00 C ATOM 1558 O GLU X 102 -5.375 -13.619 -7.250 1.00 0.00 O ATOM 1559 CB GLU X 102 -8.291 -14.569 -7.191 1.00 0.00 C ATOM 1560 CG GLU X 102 -8.423 -13.140 -7.702 1.00 0.00 C ATOM 1561 CD GLU X 102 -9.677 -12.466 -7.212 1.00 0.00 C ATOM 1562 OE1 GLU X 102 -9.746 -12.097 -6.025 1.00 0.00 O ATOM 1563 OE2 GLU X 102 -10.614 -12.263 -8.005 1.00 0.00 O ATOM 0 H GLU X 102 -7.288 -16.866 -6.295 1.00 0.00 H new ATOM 0 HA GLU X 102 -7.029 -15.210 -8.770 1.00 0.00 H new ATOM 0 HB2 GLU X 102 -9.179 -15.128 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU X 102 -8.275 -14.549 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU X 102 -7.556 -12.562 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU X 102 -8.419 -13.146 -8.792 1.00 0.00 H new ATOM 1570 N ASP X 103 -5.090 -15.653 -6.375 1.00 0.00 N ATOM 1571 CA ASP X 103 -3.811 -15.469 -5.782 1.00 0.00 C ATOM 1572 C ASP X 103 -3.302 -16.856 -5.666 1.00 0.00 C ATOM 1573 O ASP X 103 -2.162 -17.110 -5.978 1.00 0.00 O ATOM 1574 CB ASP X 103 -3.836 -14.779 -4.387 1.00 0.00 C ATOM 1575 CG ASP X 103 -4.405 -15.613 -3.244 1.00 0.00 C ATOM 1576 OD1 ASP X 103 -5.623 -15.550 -2.992 1.00 0.00 O ATOM 1577 OD2 ASP X 103 -3.642 -16.296 -2.531 1.00 0.00 O ATOM 1578 OXT ASP X 103 -4.158 -17.757 -5.461 1.00 0.00 O ATOM 0 H ASP X 103 -5.470 -16.581 -6.189 1.00 0.00 H new ATOM 0 HA ASP X 103 -3.195 -14.799 -6.382 1.00 0.00 H new ATOM 0 HB2 ASP X 103 -2.818 -14.489 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP X 103 -4.419 -13.861 -4.467 1.00 0.00 H new TER 1583 ASP X 103