USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 763 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 20 THR OG1 : rot 180:sc= 0.655 USER MOD Set 1.2: A 24 SER OG : rot 111:sc= -0.797! USER MOD Single : A 1 SER N :NH3+ 166:sc= 1.19 (180deg=1.04) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 2 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 3 GLN : amide:sc= -0.015 K(o=-0.015,f=-0.99) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= 1.2 (180deg=0.799) USER MOD Single : A 19 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.7!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl 165:sc= -0.147 (180deg=-0.583) USER MOD Single : A 27 MET CE :methyl 156:sc= -0.287 (180deg=-1.06) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0.452 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= 0.709 (180deg=-1.47!) USER MOD Single : A 37 THR OG1 : rot 25:sc= 0.442 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.2 K(o=1.2,f=-0.17) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 52 TYR OH : rot -179:sc= 1.27 USER MOD Single : A 56 SER OG : rot -19:sc= 0.411 USER MOD Single : A 58 SER OG : rot -130:sc= -0.107 USER MOD Single : A 63 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-3.5!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= 1.17 (180deg=1.03) USER MOD Single : A 74 ASN : amide:sc= -0.282 K(o=-0.28,f=-5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 140:sc= 1.28 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0108 K(o=-0.011,f=-0.59) USER MOD Single : A 91 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5!) USER MOD Single : A 92 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.6) USER MOD Single : A 93 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.079) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.306 5.115 -21.332 1.00 0.00 N ATOM 2 CA SER A 1 -17.604 4.544 -20.910 1.00 0.00 C ATOM 3 C SER A 1 -17.886 3.240 -21.655 1.00 0.00 C ATOM 4 O SER A 1 -19.040 2.840 -21.830 1.00 0.00 O ATOM 5 CB SER A 1 -18.711 5.561 -21.183 1.00 0.00 C ATOM 6 OG SER A 1 -18.448 6.785 -20.516 1.00 0.00 O ATOM 0 H1 SER A 1 -16.237 6.100 -21.005 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.531 4.558 -20.919 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.236 5.089 -22.369 1.00 0.00 H new ATOM 0 HA SER A 1 -17.568 4.322 -19.843 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.793 5.737 -22.256 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.669 5.160 -20.852 1.00 0.00 H new ATOM 0 HG SER A 1 -19.168 7.422 -20.706 1.00 0.00 H new ATOM 14 N SER A 2 -16.822 2.560 -22.059 1.00 0.00 N ATOM 15 CA SER A 2 -16.935 1.367 -22.877 1.00 0.00 C ATOM 16 C SER A 2 -16.913 0.093 -22.027 1.00 0.00 C ATOM 17 O SER A 2 -17.921 -0.606 -21.913 1.00 0.00 O ATOM 18 CB SER A 2 -15.806 1.350 -23.914 1.00 0.00 C ATOM 19 OG SER A 2 -14.530 1.531 -23.305 1.00 0.00 O ATOM 0 H SER A 2 -15.863 2.820 -21.829 1.00 0.00 H new ATOM 0 HA SER A 2 -17.896 1.391 -23.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.821 0.403 -24.453 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.974 2.138 -24.648 1.00 0.00 H new ATOM 0 HG SER A 2 -13.833 1.513 -23.994 1.00 0.00 H new ATOM 25 N GLN A 3 -15.770 -0.186 -21.414 1.00 0.00 N ATOM 26 CA GLN A 3 -15.563 -1.427 -20.681 1.00 0.00 C ATOM 27 C GLN A 3 -16.078 -1.319 -19.252 1.00 0.00 C ATOM 28 O GLN A 3 -16.652 -0.299 -18.860 1.00 0.00 O ATOM 29 CB GLN A 3 -14.073 -1.761 -20.646 1.00 0.00 C ATOM 30 CG GLN A 3 -13.429 -1.836 -22.016 1.00 0.00 C ATOM 31 CD GLN A 3 -11.922 -1.966 -21.939 1.00 0.00 C ATOM 32 OE1 GLN A 3 -11.288 -1.471 -21.009 1.00 0.00 O ATOM 33 NE2 GLN A 3 -11.339 -2.645 -22.911 1.00 0.00 N ATOM 0 H GLN A 3 -14.964 0.439 -21.411 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.116 -2.214 -21.193 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.555 -1.007 -20.053 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.936 -2.716 -20.138 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.837 -2.688 -22.560 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.685 -0.942 -22.584 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.901 -3.040 -23.665 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.327 -2.774 -22.907 1.00 0.00 H new ATOM 42 N THR A 4 -15.857 -2.370 -18.474 1.00 0.00 N ATOM 43 CA THR A 4 -16.192 -2.356 -17.065 1.00 0.00 C ATOM 44 C THR A 4 -15.202 -1.466 -16.325 1.00 0.00 C ATOM 45 O THR A 4 -15.552 -0.784 -15.365 1.00 0.00 O ATOM 46 CB THR A 4 -16.144 -3.776 -16.465 1.00 0.00 C ATOM 47 OG1 THR A 4 -16.749 -4.715 -17.367 1.00 0.00 O ATOM 48 CG2 THR A 4 -16.862 -3.822 -15.125 1.00 0.00 C ATOM 0 H THR A 4 -15.445 -3.244 -18.801 1.00 0.00 H new ATOM 0 HA THR A 4 -17.206 -1.971 -16.956 1.00 0.00 H new ATOM 0 HB THR A 4 -15.099 -4.043 -16.311 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.712 -5.613 -16.977 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.815 -4.833 -14.721 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.382 -3.132 -14.431 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.904 -3.534 -15.261 1.00 0.00 H new ATOM 56 N LEU A 5 -13.968 -1.455 -16.824 1.00 0.00 N ATOM 57 CA LEU A 5 -12.889 -0.670 -16.231 1.00 0.00 C ATOM 58 C LEU A 5 -13.163 0.825 -16.364 1.00 0.00 C ATOM 59 O LEU A 5 -12.559 1.642 -15.668 1.00 0.00 O ATOM 60 CB LEU A 5 -11.557 -1.011 -16.906 1.00 0.00 C ATOM 61 CG LEU A 5 -11.185 -2.495 -16.909 1.00 0.00 C ATOM 62 CD1 LEU A 5 -9.863 -2.711 -17.630 1.00 0.00 C ATOM 63 CD2 LEU A 5 -11.110 -3.032 -15.487 1.00 0.00 C ATOM 0 H LEU A 5 -13.689 -1.988 -17.648 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.833 -0.919 -15.171 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.591 -0.660 -17.937 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.763 -0.456 -16.407 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.963 -3.042 -17.442 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.614 -3.772 -17.623 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.950 -2.366 -18.660 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.077 -2.150 -17.124 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.844 -4.089 -15.511 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.354 -2.480 -14.929 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.078 -2.912 -15.001 1.00 0.00 H new ATOM 75 N ASP A 6 -14.062 1.177 -17.272 1.00 0.00 N ATOM 76 CA ASP A 6 -14.464 2.566 -17.467 1.00 0.00 C ATOM 77 C ASP A 6 -15.341 3.020 -16.309 1.00 0.00 C ATOM 78 O ASP A 6 -15.370 4.197 -15.955 1.00 0.00 O ATOM 79 CB ASP A 6 -15.243 2.729 -18.777 1.00 0.00 C ATOM 80 CG ASP A 6 -14.424 2.418 -20.017 1.00 0.00 C ATOM 81 OD1 ASP A 6 -13.721 1.390 -20.037 1.00 0.00 O ATOM 82 OD2 ASP A 6 -14.517 3.188 -20.997 1.00 0.00 O ATOM 0 H ASP A 6 -14.531 0.515 -17.891 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.562 3.176 -17.511 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.115 2.075 -18.755 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -15.613 3.752 -18.844 1.00 0.00 H new ATOM 87 N ARG A 7 -16.049 2.063 -15.727 1.00 0.00 N ATOM 88 CA ARG A 7 -16.981 2.336 -14.642 1.00 0.00 C ATOM 89 C ARG A 7 -16.356 1.942 -13.308 1.00 0.00 C ATOM 90 O ARG A 7 -16.864 2.283 -12.237 1.00 0.00 O ATOM 91 CB ARG A 7 -18.270 1.541 -14.869 1.00 0.00 C ATOM 92 CG ARG A 7 -19.442 1.992 -14.012 1.00 0.00 C ATOM 93 CD ARG A 7 -20.617 1.032 -14.128 1.00 0.00 C ATOM 94 NE ARG A 7 -20.936 0.710 -15.520 1.00 0.00 N ATOM 95 CZ ARG A 7 -22.074 1.047 -16.125 1.00 0.00 C ATOM 96 NH1 ARG A 7 -22.985 1.771 -15.486 1.00 0.00 N ATOM 97 NH2 ARG A 7 -22.290 0.675 -17.382 1.00 0.00 N ATOM 0 H ARG A 7 -15.994 1.079 -15.992 1.00 0.00 H new ATOM 0 HA ARG A 7 -17.211 3.401 -14.622 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -18.551 1.620 -15.919 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -18.073 0.488 -14.670 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -19.128 2.061 -12.971 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -19.755 2.991 -14.317 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.387 0.113 -13.588 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -21.492 1.472 -13.650 1.00 0.00 H new ATOM 0 HE ARG A 7 -20.242 0.194 -16.062 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -22.816 2.072 -14.526 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -23.854 2.026 -15.955 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -21.585 0.133 -17.882 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -23.161 0.932 -17.847 1.00 0.00 H new ATOM 111 N ASP A 8 -15.250 1.218 -13.385 1.00 0.00 N ATOM 112 CA ASP A 8 -14.577 0.707 -12.201 1.00 0.00 C ATOM 113 C ASP A 8 -13.062 0.796 -12.360 1.00 0.00 C ATOM 114 O ASP A 8 -12.433 -0.094 -12.940 1.00 0.00 O ATOM 115 CB ASP A 8 -14.996 -0.743 -11.943 1.00 0.00 C ATOM 116 CG ASP A 8 -14.382 -1.313 -10.684 1.00 0.00 C ATOM 117 OD1 ASP A 8 -14.876 -0.995 -9.584 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.422 -2.107 -10.781 1.00 0.00 O ATOM 0 H ASP A 8 -14.796 0.969 -14.264 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.869 1.319 -11.347 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.082 -0.795 -11.868 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.705 -1.358 -12.795 1.00 0.00 H new ATOM 123 N PRO A 9 -12.460 1.896 -11.892 1.00 0.00 N ATOM 124 CA PRO A 9 -11.018 2.097 -11.954 1.00 0.00 C ATOM 125 C PRO A 9 -10.281 1.357 -10.838 1.00 0.00 C ATOM 126 O PRO A 9 -10.647 1.446 -9.662 1.00 0.00 O ATOM 127 CB PRO A 9 -10.852 3.617 -11.791 1.00 0.00 C ATOM 128 CG PRO A 9 -12.238 4.181 -11.715 1.00 0.00 C ATOM 129 CD PRO A 9 -13.130 3.052 -11.294 1.00 0.00 C ATOM 0 HA PRO A 9 -10.596 1.710 -12.882 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.286 3.853 -10.890 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.304 4.042 -12.632 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.285 5.001 -10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.548 4.582 -12.680 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.198 2.968 -10.209 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.146 3.173 -11.669 1.00 0.00 H new ATOM 137 N THR A 10 -9.251 0.616 -11.214 1.00 0.00 N ATOM 138 CA THR A 10 -8.408 -0.068 -10.250 1.00 0.00 C ATOM 139 C THR A 10 -7.065 0.651 -10.130 1.00 0.00 C ATOM 140 O THR A 10 -6.254 0.634 -11.058 1.00 0.00 O ATOM 141 CB THR A 10 -8.181 -1.532 -10.665 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.420 -2.109 -11.106 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.631 -2.344 -9.504 1.00 0.00 C ATOM 0 H THR A 10 -8.979 0.473 -12.187 1.00 0.00 H new ATOM 0 HA THR A 10 -8.912 -0.057 -9.283 1.00 0.00 H new ATOM 0 HB THR A 10 -7.455 -1.549 -11.478 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.271 -3.041 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.479 -3.376 -9.821 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.680 -1.920 -9.181 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.339 -2.320 -8.676 1.00 0.00 H new ATOM 151 N LEU A 11 -6.840 1.287 -8.991 1.00 0.00 N ATOM 152 CA LEU A 11 -5.658 2.113 -8.796 1.00 0.00 C ATOM 153 C LEU A 11 -4.535 1.306 -8.147 1.00 0.00 C ATOM 154 O LEU A 11 -4.770 0.551 -7.209 1.00 0.00 O ATOM 155 CB LEU A 11 -6.013 3.329 -7.934 1.00 0.00 C ATOM 156 CG LEU A 11 -4.903 4.366 -7.763 1.00 0.00 C ATOM 157 CD1 LEU A 11 -4.479 4.925 -9.113 1.00 0.00 C ATOM 158 CD2 LEU A 11 -5.369 5.484 -6.844 1.00 0.00 C ATOM 0 H LEU A 11 -7.463 1.247 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.306 2.457 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.881 3.821 -8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.312 2.977 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.039 3.880 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.688 5.661 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.111 4.115 -9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.334 5.400 -9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.571 6.217 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.246 5.967 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.625 5.070 -5.869 1.00 0.00 H new ATOM 170 N THR A 12 -3.323 1.454 -8.659 1.00 0.00 N ATOM 171 CA THR A 12 -2.180 0.725 -8.131 1.00 0.00 C ATOM 172 C THR A 12 -1.143 1.691 -7.558 1.00 0.00 C ATOM 173 O THR A 12 -0.479 2.420 -8.299 1.00 0.00 O ATOM 174 CB THR A 12 -1.540 -0.149 -9.223 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.566 -0.897 -9.891 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.517 -1.109 -8.630 1.00 0.00 C ATOM 0 H THR A 12 -3.105 2.073 -9.440 1.00 0.00 H new ATOM 0 HA THR A 12 -2.535 0.077 -7.330 1.00 0.00 H new ATOM 0 HB THR A 12 -1.027 0.502 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.163 -1.454 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.081 -1.714 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.270 -0.541 -8.134 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.006 -1.760 -7.906 1.00 0.00 H new ATOM 184 N LEU A 13 -1.014 1.693 -6.239 1.00 0.00 N ATOM 185 CA LEU A 13 -0.150 2.641 -5.548 1.00 0.00 C ATOM 186 C LEU A 13 1.047 1.941 -4.926 1.00 0.00 C ATOM 187 O LEU A 13 0.937 0.817 -4.442 1.00 0.00 O ATOM 188 CB LEU A 13 -0.938 3.377 -4.462 1.00 0.00 C ATOM 189 CG LEU A 13 -2.165 4.137 -4.960 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.844 4.875 -3.814 1.00 0.00 C ATOM 191 CD2 LEU A 13 -1.768 5.102 -6.064 1.00 0.00 C ATOM 0 H LEU A 13 -1.501 1.043 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 13 0.215 3.359 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.257 2.653 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.271 4.080 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.879 3.420 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.716 5.410 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.158 4.158 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.145 5.586 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.650 5.639 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.038 5.814 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.331 4.546 -6.893 1.00 0.00 H new ATOM 203 N SER A 14 2.187 2.609 -4.934 1.00 0.00 N ATOM 204 CA SER A 14 3.400 2.048 -4.363 1.00 0.00 C ATOM 205 C SER A 14 3.360 2.111 -2.838 1.00 0.00 C ATOM 206 O SER A 14 2.768 3.025 -2.256 1.00 0.00 O ATOM 207 CB SER A 14 4.621 2.793 -4.899 1.00 0.00 C ATOM 208 OG SER A 14 4.680 2.714 -6.314 1.00 0.00 O ATOM 0 H SER A 14 2.299 3.542 -5.330 1.00 0.00 H new ATOM 0 HA SER A 14 3.470 1.000 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.579 3.838 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.529 2.369 -4.469 1.00 0.00 H new ATOM 0 HG SER A 14 5.468 3.199 -6.636 1.00 0.00 H new ATOM 214 N LEU A 15 3.973 1.123 -2.201 1.00 0.00 N ATOM 215 CA LEU A 15 4.038 1.070 -0.750 1.00 0.00 C ATOM 216 C LEU A 15 5.292 1.782 -0.255 1.00 0.00 C ATOM 217 O LEU A 15 6.381 1.585 -0.799 1.00 0.00 O ATOM 218 CB LEU A 15 4.038 -0.391 -0.281 1.00 0.00 C ATOM 219 CG LEU A 15 3.964 -0.600 1.232 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.638 -0.094 1.777 1.00 0.00 C ATOM 221 CD2 LEU A 15 4.155 -2.071 1.574 1.00 0.00 C ATOM 0 H LEU A 15 4.434 0.344 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 15 3.164 1.574 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.192 -0.902 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.942 -0.873 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 15 4.767 -0.029 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.604 -0.251 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.539 0.970 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.819 -0.637 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.100 -2.203 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.373 -2.660 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.130 -2.404 1.217 1.00 0.00 H new ATOM 233 N ILE A 16 5.133 2.626 0.755 1.00 0.00 N ATOM 234 CA ILE A 16 6.259 3.328 1.348 1.00 0.00 C ATOM 235 C ILE A 16 6.505 2.846 2.776 1.00 0.00 C ATOM 236 O ILE A 16 5.585 2.371 3.456 1.00 0.00 O ATOM 237 CB ILE A 16 6.057 4.864 1.352 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.857 5.253 2.220 1.00 0.00 C ATOM 239 CG2 ILE A 16 5.877 5.379 -0.071 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.695 6.748 2.416 1.00 0.00 C ATOM 0 H ILE A 16 4.231 2.841 1.181 1.00 0.00 H new ATOM 0 HA ILE A 16 7.128 3.103 0.729 1.00 0.00 H new ATOM 0 HB ILE A 16 6.948 5.325 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.949 4.856 1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.959 4.778 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.736 6.460 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.762 5.139 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.003 4.907 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.823 6.941 3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.585 7.150 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.560 7.229 1.447 1.00 0.00 H new ATOM 252 N ALA A 17 7.747 2.967 3.225 1.00 0.00 N ATOM 253 CA ALA A 17 8.127 2.533 4.561 1.00 0.00 C ATOM 254 C ALA A 17 7.942 3.664 5.563 1.00 0.00 C ATOM 255 O ALA A 17 8.729 4.612 5.597 1.00 0.00 O ATOM 256 CB ALA A 17 9.568 2.044 4.570 1.00 0.00 C ATOM 0 H ALA A 17 8.512 3.365 2.680 1.00 0.00 H new ATOM 0 HA ALA A 17 7.479 1.706 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.837 1.723 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.672 1.205 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.229 2.853 4.259 1.00 0.00 H new ATOM 262 N LYS A 18 6.905 3.567 6.378 1.00 0.00 N ATOM 263 CA LYS A 18 6.575 4.635 7.300 1.00 0.00 C ATOM 264 C LYS A 18 7.206 4.397 8.669 1.00 0.00 C ATOM 265 O LYS A 18 6.782 3.516 9.419 1.00 0.00 O ATOM 266 CB LYS A 18 5.058 4.777 7.428 1.00 0.00 C ATOM 267 CG LYS A 18 4.630 5.959 8.277 1.00 0.00 C ATOM 268 CD LYS A 18 3.119 6.080 8.337 1.00 0.00 C ATOM 269 CE LYS A 18 2.691 7.224 9.238 1.00 0.00 C ATOM 270 NZ LYS A 18 3.192 7.052 10.629 1.00 0.00 N ATOM 0 H LYS A 18 6.280 2.762 6.418 1.00 0.00 H new ATOM 0 HA LYS A 18 6.982 5.564 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.625 4.879 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.651 3.863 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.028 5.847 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.054 6.876 7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.725 6.238 7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.692 5.147 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.063 8.165 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.603 7.290 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.427 7.261 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.513 6.072 10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.986 7.703 10.795 1.00 0.00 H new ATOM 284 N ASN A 19 8.242 5.183 8.956 1.00 0.00 N ATOM 285 CA ASN A 19 8.907 5.196 10.260 1.00 0.00 C ATOM 286 C ASN A 19 9.408 3.808 10.658 1.00 0.00 C ATOM 287 O ASN A 19 8.777 3.111 11.456 1.00 0.00 O ATOM 288 CB ASN A 19 7.965 5.751 11.338 1.00 0.00 C ATOM 289 CG ASN A 19 8.687 6.142 12.620 1.00 0.00 C ATOM 290 OD1 ASN A 19 9.730 5.585 12.968 1.00 0.00 O ATOM 291 ND2 ASN A 19 8.129 7.104 13.337 1.00 0.00 N ATOM 0 H ASN A 19 8.648 5.835 8.285 1.00 0.00 H new ATOM 0 HA ASN A 19 9.776 5.848 10.176 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.443 6.622 10.942 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.207 5.003 11.569 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.563 7.407 14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.265 7.542 13.018 1.00 0.00 H new ATOM 298 N THR A 20 10.525 3.399 10.075 1.00 0.00 N ATOM 299 CA THR A 20 11.184 2.169 10.478 1.00 0.00 C ATOM 300 C THR A 20 12.457 2.506 11.263 1.00 0.00 C ATOM 301 O THR A 20 13.145 3.485 10.949 1.00 0.00 O ATOM 302 CB THR A 20 11.515 1.265 9.260 1.00 0.00 C ATOM 303 OG1 THR A 20 11.979 -0.019 9.699 1.00 0.00 O ATOM 304 CG2 THR A 20 12.564 1.896 8.355 1.00 0.00 C ATOM 0 H THR A 20 10.993 3.902 9.321 1.00 0.00 H new ATOM 0 HA THR A 20 10.501 1.608 11.115 1.00 0.00 H new ATOM 0 HB THR A 20 10.594 1.148 8.688 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.182 -0.577 8.920 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.767 1.232 7.515 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.195 2.851 7.981 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.482 2.058 8.920 1.00 0.00 H new ATOM 312 N PRO A 21 12.750 1.751 12.335 1.00 0.00 N ATOM 313 CA PRO A 21 13.950 1.956 13.153 1.00 0.00 C ATOM 314 C PRO A 21 15.245 1.737 12.374 1.00 0.00 C ATOM 315 O PRO A 21 15.241 1.215 11.258 1.00 0.00 O ATOM 316 CB PRO A 21 13.824 0.904 14.263 1.00 0.00 C ATOM 317 CG PRO A 21 12.386 0.523 14.274 1.00 0.00 C ATOM 318 CD PRO A 21 11.923 0.653 12.854 1.00 0.00 C ATOM 0 HA PRO A 21 14.005 2.982 13.518 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.459 0.041 14.062 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.132 1.309 15.227 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.253 -0.496 14.638 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.813 1.174 14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.078 -0.269 12.293 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.860 0.886 12.796 1.00 0.00 H new ATOM 326 N ALA A 22 16.358 2.120 12.984 1.00 0.00 N ATOM 327 CA ALA A 22 17.669 1.961 12.367 1.00 0.00 C ATOM 328 C ALA A 22 18.229 0.573 12.652 1.00 0.00 C ATOM 329 O ALA A 22 19.377 0.271 12.326 1.00 0.00 O ATOM 330 CB ALA A 22 18.623 3.031 12.875 1.00 0.00 C ATOM 0 H ALA A 22 16.380 2.545 13.911 1.00 0.00 H new ATOM 0 HA ALA A 22 17.560 2.073 11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.598 2.901 12.406 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.230 4.017 12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.725 2.943 13.957 1.00 0.00 H new ATOM 336 N ASN A 23 17.404 -0.266 13.259 1.00 0.00 N ATOM 337 CA ASN A 23 17.807 -1.617 13.627 1.00 0.00 C ATOM 338 C ASN A 23 17.138 -2.634 12.716 1.00 0.00 C ATOM 339 O ASN A 23 17.444 -3.828 12.758 1.00 0.00 O ATOM 340 CB ASN A 23 17.434 -1.902 15.084 1.00 0.00 C ATOM 341 CG ASN A 23 18.060 -0.913 16.050 1.00 0.00 C ATOM 342 OD1 ASN A 23 17.491 0.143 16.330 1.00 0.00 O ATOM 343 ND2 ASN A 23 19.232 -1.245 16.562 1.00 0.00 N ATOM 0 H ASN A 23 16.443 -0.033 13.509 1.00 0.00 H new ATOM 0 HA ASN A 23 18.888 -1.698 13.514 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.350 -1.872 15.190 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.752 -2.911 15.346 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.699 -0.617 17.216 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.669 -2.130 16.304 1.00 0.00 H new ATOM 350 N SER A 24 16.243 -2.151 11.869 1.00 0.00 N ATOM 351 CA SER A 24 15.472 -3.012 10.997 1.00 0.00 C ATOM 352 C SER A 24 15.754 -2.694 9.536 1.00 0.00 C ATOM 353 O SER A 24 15.711 -1.539 9.117 1.00 0.00 O ATOM 354 CB SER A 24 13.984 -2.860 11.309 1.00 0.00 C ATOM 355 OG SER A 24 13.645 -1.498 11.499 1.00 0.00 O ATOM 0 H SER A 24 16.034 -1.158 11.769 1.00 0.00 H new ATOM 0 HA SER A 24 15.765 -4.047 11.173 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.393 -3.276 10.493 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.736 -3.429 12.205 1.00 0.00 H new ATOM 0 HG SER A 24 13.083 -1.194 10.756 1.00 0.00 H new ATOM 361 N MET A 25 16.072 -3.724 8.776 1.00 0.00 N ATOM 362 CA MET A 25 16.356 -3.584 7.360 1.00 0.00 C ATOM 363 C MET A 25 15.308 -4.332 6.552 1.00 0.00 C ATOM 364 O MET A 25 14.998 -5.482 6.848 1.00 0.00 O ATOM 365 CB MET A 25 17.757 -4.120 7.064 1.00 0.00 C ATOM 366 CG MET A 25 18.116 -4.148 5.588 1.00 0.00 C ATOM 367 SD MET A 25 19.826 -4.644 5.299 1.00 0.00 S ATOM 368 CE MET A 25 19.843 -6.275 6.042 1.00 0.00 C ATOM 0 H MET A 25 16.141 -4.681 9.122 1.00 0.00 H new ATOM 0 HA MET A 25 16.321 -2.531 7.079 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.487 -3.507 7.592 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.839 -5.130 7.465 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.449 -4.836 5.069 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.951 -3.160 5.159 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.733 -6.814 5.717 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.853 -6.180 7.128 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.954 -6.825 5.734 1.00 0.00 H new ATOM 378 N ILE A 26 14.757 -3.685 5.541 1.00 0.00 N ATOM 379 CA ILE A 26 13.673 -4.273 4.770 1.00 0.00 C ATOM 380 C ILE A 26 14.221 -5.066 3.590 1.00 0.00 C ATOM 381 O ILE A 26 14.658 -4.490 2.590 1.00 0.00 O ATOM 382 CB ILE A 26 12.704 -3.192 4.248 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.423 -2.154 5.336 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.403 -3.836 3.790 1.00 0.00 C ATOM 385 CD1 ILE A 26 11.605 -0.976 4.853 1.00 0.00 C ATOM 0 H ILE A 26 15.040 -2.754 5.234 1.00 0.00 H new ATOM 0 HA ILE A 26 13.128 -4.941 5.436 1.00 0.00 H new ATOM 0 HB ILE A 26 13.168 -2.688 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.898 -2.637 6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 26 13.371 -1.789 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.725 -3.065 3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.611 -4.547 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.940 -4.357 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.445 -0.281 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.138 -0.468 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.642 -1.329 4.484 1.00 0.00 H new ATOM 397 N MET A 27 14.216 -6.389 3.714 1.00 0.00 N ATOM 398 CA MET A 27 14.687 -7.251 2.637 1.00 0.00 C ATOM 399 C MET A 27 13.653 -7.321 1.528 1.00 0.00 C ATOM 400 O MET A 27 13.993 -7.329 0.345 1.00 0.00 O ATOM 401 CB MET A 27 14.995 -8.659 3.150 1.00 0.00 C ATOM 402 CG MET A 27 16.225 -8.733 4.038 1.00 0.00 C ATOM 403 SD MET A 27 16.644 -10.425 4.506 1.00 0.00 S ATOM 404 CE MET A 27 16.917 -11.167 2.897 1.00 0.00 C ATOM 0 H MET A 27 13.893 -6.885 4.545 1.00 0.00 H new ATOM 0 HA MET A 27 15.608 -6.821 2.243 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.134 -9.029 3.706 1.00 0.00 H new ATOM 0 HB3 MET A 27 15.133 -9.324 2.297 1.00 0.00 H new ATOM 0 HG2 MET A 27 17.071 -8.284 3.518 1.00 0.00 H new ATOM 0 HG3 MET A 27 16.054 -8.143 4.938 1.00 0.00 H new ATOM 0 HE1 MET A 27 17.571 -12.033 3.002 1.00 0.00 H new ATOM 0 HE2 MET A 27 15.963 -11.482 2.475 1.00 0.00 H new ATOM 0 HE3 MET A 27 17.384 -10.438 2.235 1.00 0.00 H new ATOM 414 N THR A 28 12.390 -7.367 1.916 1.00 0.00 N ATOM 415 CA THR A 28 11.302 -7.392 0.961 1.00 0.00 C ATOM 416 C THR A 28 11.160 -6.034 0.289 1.00 0.00 C ATOM 417 O THR A 28 10.948 -5.020 0.954 1.00 0.00 O ATOM 418 CB THR A 28 9.978 -7.758 1.649 1.00 0.00 C ATOM 419 OG1 THR A 28 10.181 -8.880 2.515 1.00 0.00 O ATOM 420 CG2 THR A 28 8.904 -8.094 0.625 1.00 0.00 C ATOM 0 H THR A 28 12.095 -7.388 2.892 1.00 0.00 H new ATOM 0 HA THR A 28 11.532 -8.149 0.211 1.00 0.00 H new ATOM 0 HB THR A 28 9.644 -6.897 2.229 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.413 -9.486 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.978 -8.349 1.140 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.735 -7.232 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.229 -8.941 0.021 1.00 0.00 H new ATOM 428 N LYS A 29 11.302 -6.008 -1.024 1.00 0.00 N ATOM 429 CA LYS A 29 11.122 -4.779 -1.772 1.00 0.00 C ATOM 430 C LYS A 29 9.647 -4.425 -1.789 1.00 0.00 C ATOM 431 O LYS A 29 8.819 -5.213 -2.254 1.00 0.00 O ATOM 432 CB LYS A 29 11.667 -4.926 -3.191 1.00 0.00 C ATOM 433 CG LYS A 29 13.124 -5.353 -3.223 1.00 0.00 C ATOM 434 CD LYS A 29 13.657 -5.447 -4.641 1.00 0.00 C ATOM 435 CE LYS A 29 15.052 -6.044 -4.657 1.00 0.00 C ATOM 436 NZ LYS A 29 15.619 -6.106 -6.029 1.00 0.00 N ATOM 0 H LYS A 29 11.541 -6.821 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 29 11.678 -3.974 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.067 -5.658 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.560 -3.977 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.723 -4.640 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 29 13.229 -6.320 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.988 -6.060 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.676 -4.455 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.708 -5.449 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.021 -7.047 -4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.572 -6.520 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.008 -6.695 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.674 -5.146 -6.426 1.00 0.00 H new ATOM 450 N LEU A 30 9.328 -3.255 -1.251 1.00 0.00 N ATOM 451 CA LEU A 30 7.947 -2.827 -1.076 1.00 0.00 C ATOM 452 C LEU A 30 7.175 -2.878 -2.390 1.00 0.00 C ATOM 453 O LEU A 30 7.519 -2.190 -3.354 1.00 0.00 O ATOM 454 CB LEU A 30 7.904 -1.415 -0.494 1.00 0.00 C ATOM 455 CG LEU A 30 8.621 -1.250 0.849 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.524 0.184 1.336 1.00 0.00 C ATOM 457 CD2 LEU A 30 8.042 -2.200 1.888 1.00 0.00 C ATOM 0 H LEU A 30 10.017 -2.578 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 30 7.468 -3.517 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.348 -0.727 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.862 -1.119 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 30 9.673 -1.496 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.040 0.279 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.987 0.848 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.476 0.456 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.565 -2.067 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.982 -1.986 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.163 -3.229 1.548 1.00 0.00 H new ATOM 469 N PRO A 31 6.129 -3.715 -2.441 1.00 0.00 N ATOM 470 CA PRO A 31 5.314 -3.898 -3.641 1.00 0.00 C ATOM 471 C PRO A 31 4.328 -2.751 -3.850 1.00 0.00 C ATOM 472 O PRO A 31 4.469 -1.674 -3.265 1.00 0.00 O ATOM 473 CB PRO A 31 4.572 -5.202 -3.355 1.00 0.00 C ATOM 474 CG PRO A 31 4.435 -5.236 -1.873 1.00 0.00 C ATOM 475 CD PRO A 31 5.661 -4.558 -1.323 1.00 0.00 C ATOM 0 HA PRO A 31 5.914 -3.922 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.598 -5.220 -3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.129 -6.064 -3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.529 -4.721 -1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.362 -6.262 -1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.426 -3.960 -0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.419 -5.282 -1.024 1.00 0.00 H new ATOM 483 N SER A 32 3.331 -2.978 -4.687 1.00 0.00 N ATOM 484 CA SER A 32 2.338 -1.965 -4.968 1.00 0.00 C ATOM 485 C SER A 32 0.942 -2.490 -4.656 1.00 0.00 C ATOM 486 O SER A 32 0.598 -3.622 -5.005 1.00 0.00 O ATOM 487 CB SER A 32 2.443 -1.530 -6.428 1.00 0.00 C ATOM 488 OG SER A 32 3.764 -1.104 -6.727 1.00 0.00 O ATOM 0 H SER A 32 3.190 -3.858 -5.183 1.00 0.00 H new ATOM 0 HA SER A 32 2.521 -1.098 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.165 -2.357 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.740 -0.720 -6.623 1.00 0.00 H new ATOM 0 HG SER A 32 3.815 -0.830 -7.667 1.00 0.00 H new ATOM 494 N VAL A 33 0.150 -1.674 -3.988 1.00 0.00 N ATOM 495 CA VAL A 33 -1.199 -2.056 -3.615 1.00 0.00 C ATOM 496 C VAL A 33 -2.160 -1.752 -4.756 1.00 0.00 C ATOM 497 O VAL A 33 -2.118 -0.674 -5.351 1.00 0.00 O ATOM 498 CB VAL A 33 -1.668 -1.350 -2.323 1.00 0.00 C ATOM 499 CG1 VAL A 33 -0.755 -1.703 -1.157 1.00 0.00 C ATOM 500 CG2 VAL A 33 -1.733 0.160 -2.505 1.00 0.00 C ATOM 0 H VAL A 33 0.419 -0.736 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.193 -3.128 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.675 -1.705 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.102 -1.196 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.771 -2.781 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.263 -1.385 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.066 0.624 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.744 0.538 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.435 0.400 -3.304 1.00 0.00 H new ATOM 510 N ARG A 34 -3.004 -2.708 -5.074 1.00 0.00 N ATOM 511 CA ARG A 34 -3.941 -2.552 -6.164 1.00 0.00 C ATOM 512 C ARG A 34 -5.347 -2.432 -5.597 1.00 0.00 C ATOM 513 O ARG A 34 -5.990 -3.429 -5.263 1.00 0.00 O ATOM 514 CB ARG A 34 -3.827 -3.730 -7.127 1.00 0.00 C ATOM 515 CG ARG A 34 -4.403 -3.451 -8.500 1.00 0.00 C ATOM 516 CD ARG A 34 -4.172 -4.621 -9.440 1.00 0.00 C ATOM 517 NE ARG A 34 -4.619 -4.320 -10.797 1.00 0.00 N ATOM 518 CZ ARG A 34 -5.496 -5.061 -11.470 1.00 0.00 C ATOM 519 NH1 ARG A 34 -5.989 -6.169 -10.929 1.00 0.00 N ATOM 520 NH2 ARG A 34 -5.869 -4.702 -12.689 1.00 0.00 N ATOM 0 H ARG A 34 -3.061 -3.605 -4.591 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.713 -1.646 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.777 -4.002 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.338 -4.591 -6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.472 -3.254 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.945 -2.553 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.112 -4.873 -9.454 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.703 -5.497 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.237 -3.493 -11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.696 -6.455 -9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.661 -6.734 -11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.484 -3.857 -13.112 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.541 -5.270 -13.205 1.00 0.00 H new ATOM 534 N VAL A 35 -5.802 -1.198 -5.466 1.00 0.00 N ATOM 535 CA VAL A 35 -7.048 -0.910 -4.782 1.00 0.00 C ATOM 536 C VAL A 35 -8.172 -0.616 -5.766 1.00 0.00 C ATOM 537 O VAL A 35 -7.932 -0.233 -6.913 1.00 0.00 O ATOM 538 CB VAL A 35 -6.890 0.290 -3.817 1.00 0.00 C ATOM 539 CG1 VAL A 35 -5.836 -0.010 -2.760 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.540 1.563 -4.574 1.00 0.00 C ATOM 0 H VAL A 35 -5.322 -0.374 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.306 -1.801 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.847 0.448 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.738 0.845 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.135 -0.888 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.879 -0.202 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.436 2.388 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.601 1.422 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.333 1.792 -5.286 1.00 0.00 H new ATOM 550 N LYS A 36 -9.399 -0.795 -5.308 1.00 0.00 N ATOM 551 CA LYS A 36 -10.568 -0.511 -6.116 1.00 0.00 C ATOM 552 C LYS A 36 -11.106 0.859 -5.750 1.00 0.00 C ATOM 553 O LYS A 36 -11.309 1.147 -4.572 1.00 0.00 O ATOM 554 CB LYS A 36 -11.642 -1.574 -5.880 1.00 0.00 C ATOM 555 CG LYS A 36 -11.259 -2.959 -6.375 1.00 0.00 C ATOM 556 CD LYS A 36 -11.992 -3.306 -7.659 1.00 0.00 C ATOM 557 CE LYS A 36 -13.497 -3.334 -7.439 1.00 0.00 C ATOM 558 NZ LYS A 36 -14.241 -3.604 -8.693 1.00 0.00 N ATOM 0 H LYS A 36 -9.610 -1.139 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.291 -0.525 -7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.858 -1.627 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.562 -1.263 -6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.183 -3.003 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.492 -3.699 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.747 -2.575 -8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.656 -4.277 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.741 -4.099 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.820 -2.379 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.110 -3.033 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.647 -3.356 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.489 -4.613 -8.739 1.00 0.00 H new ATOM 572 N THR A 37 -11.313 1.709 -6.738 1.00 0.00 N ATOM 573 CA THR A 37 -11.836 3.037 -6.478 1.00 0.00 C ATOM 574 C THR A 37 -13.202 3.220 -7.123 1.00 0.00 C ATOM 575 O THR A 37 -13.480 2.657 -8.180 1.00 0.00 O ATOM 576 CB THR A 37 -10.865 4.133 -6.964 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.356 3.810 -8.266 1.00 0.00 O ATOM 578 CG2 THR A 37 -9.708 4.301 -5.991 1.00 0.00 C ATOM 0 H THR A 37 -11.129 1.506 -7.721 1.00 0.00 H new ATOM 0 HA THR A 37 -11.944 3.137 -5.398 1.00 0.00 H new ATOM 0 HB THR A 37 -11.418 5.071 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.988 3.220 -8.727 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.037 5.079 -6.355 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.094 4.584 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.163 3.361 -5.908 1.00 0.00 H new ATOM 586 N GLU A 38 -14.056 3.984 -6.467 1.00 0.00 N ATOM 587 CA GLU A 38 -15.414 4.191 -6.934 1.00 0.00 C ATOM 588 C GLU A 38 -15.600 5.620 -7.423 1.00 0.00 C ATOM 589 O GLU A 38 -15.639 6.566 -6.626 1.00 0.00 O ATOM 590 CB GLU A 38 -16.400 3.877 -5.810 1.00 0.00 C ATOM 591 CG GLU A 38 -17.856 3.952 -6.221 1.00 0.00 C ATOM 592 CD GLU A 38 -18.781 3.512 -5.108 1.00 0.00 C ATOM 593 OE1 GLU A 38 -18.842 4.204 -4.073 1.00 0.00 O ATOM 594 OE2 GLU A 38 -19.442 2.464 -5.257 1.00 0.00 O ATOM 0 H GLU A 38 -13.830 4.475 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.605 3.519 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.193 2.877 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.230 4.573 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.099 4.974 -6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.018 3.324 -7.097 1.00 0.00 H new ATOM 601 N GLY A 39 -15.690 5.768 -8.734 1.00 0.00 N ATOM 602 CA GLY A 39 -15.888 7.071 -9.326 1.00 0.00 C ATOM 603 C GLY A 39 -15.274 7.159 -10.702 1.00 0.00 C ATOM 604 O GLY A 39 -15.129 6.146 -11.387 1.00 0.00 O ATOM 0 H GLY A 39 -15.629 5.001 -9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.955 7.283 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.449 7.833 -8.682 1.00 0.00 H new ATOM 608 N TYR A 40 -14.916 8.366 -11.105 1.00 0.00 N ATOM 609 CA TYR A 40 -14.282 8.588 -12.392 1.00 0.00 C ATOM 610 C TYR A 40 -12.928 9.253 -12.195 1.00 0.00 C ATOM 611 O TYR A 40 -12.799 10.181 -11.397 1.00 0.00 O ATOM 612 CB TYR A 40 -15.167 9.462 -13.286 1.00 0.00 C ATOM 613 CG TYR A 40 -16.468 8.804 -13.694 1.00 0.00 C ATOM 614 CD1 TYR A 40 -16.541 8.032 -14.846 1.00 0.00 C ATOM 615 CD2 TYR A 40 -17.620 8.959 -12.933 1.00 0.00 C ATOM 616 CE1 TYR A 40 -17.726 7.434 -15.231 1.00 0.00 C ATOM 617 CE2 TYR A 40 -18.807 8.362 -13.309 1.00 0.00 C ATOM 618 CZ TYR A 40 -18.856 7.602 -14.458 1.00 0.00 C ATOM 619 OH TYR A 40 -20.037 7.008 -14.838 1.00 0.00 O ATOM 0 H TYR A 40 -15.055 9.213 -10.554 1.00 0.00 H new ATOM 0 HA TYR A 40 -14.142 7.623 -12.880 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.390 10.391 -12.762 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.609 9.728 -14.184 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.657 7.897 -15.451 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -17.587 9.556 -12.033 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -17.767 6.839 -16.131 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -19.693 8.490 -12.705 1.00 0.00 H new ATOM 0 HH TYR A 40 -20.736 7.223 -14.186 1.00 0.00 H new ATOM 629 N ASN A 41 -11.922 8.771 -12.913 1.00 0.00 N ATOM 630 CA ASN A 41 -10.577 9.320 -12.803 1.00 0.00 C ATOM 631 C ASN A 41 -10.254 10.166 -14.030 1.00 0.00 C ATOM 632 O ASN A 41 -9.874 9.629 -15.072 1.00 0.00 O ATOM 633 CB ASN A 41 -9.519 8.210 -12.670 1.00 0.00 C ATOM 634 CG ASN A 41 -9.717 7.301 -11.467 1.00 0.00 C ATOM 635 OD1 ASN A 41 -10.837 7.005 -11.063 1.00 0.00 O ATOM 636 ND2 ASN A 41 -8.616 6.851 -10.880 1.00 0.00 N ATOM 0 H ASN A 41 -12.012 8.002 -13.577 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.550 9.935 -11.904 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.530 7.603 -13.575 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.533 8.669 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.685 6.239 -10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.700 7.117 -11.242 1.00 0.00 H new ATOM 643 N PRO A 42 -10.436 11.493 -13.943 1.00 0.00 N ATOM 644 CA PRO A 42 -10.104 12.410 -15.030 1.00 0.00 C ATOM 645 C PRO A 42 -8.608 12.707 -15.074 1.00 0.00 C ATOM 646 O PRO A 42 -7.892 12.237 -15.958 1.00 0.00 O ATOM 647 CB PRO A 42 -10.901 13.683 -14.698 1.00 0.00 C ATOM 648 CG PRO A 42 -11.684 13.374 -13.458 1.00 0.00 C ATOM 649 CD PRO A 42 -11.000 12.211 -12.801 1.00 0.00 C ATOM 0 HA PRO A 42 -10.351 11.996 -16.008 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.233 14.529 -14.536 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.564 13.953 -15.520 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.710 14.236 -12.791 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.717 13.129 -13.703 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.228 12.535 -12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.700 11.593 -12.238 1.00 0.00 H new ATOM 657 N SER A 43 -8.144 13.481 -14.101 1.00 0.00 N ATOM 658 CA SER A 43 -6.734 13.794 -13.965 1.00 0.00 C ATOM 659 C SER A 43 -6.464 14.313 -12.559 1.00 0.00 C ATOM 660 O SER A 43 -6.676 15.490 -12.264 1.00 0.00 O ATOM 661 CB SER A 43 -6.297 14.825 -15.009 1.00 0.00 C ATOM 662 OG SER A 43 -4.901 15.060 -14.938 1.00 0.00 O ATOM 0 H SER A 43 -8.736 13.907 -13.387 1.00 0.00 H new ATOM 0 HA SER A 43 -6.155 12.886 -14.133 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.560 14.472 -16.006 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.835 15.759 -14.850 1.00 0.00 H new ATOM 0 HG SER A 43 -4.646 15.721 -15.615 1.00 0.00 H new ATOM 668 N ILE A 44 -6.042 13.414 -11.686 1.00 0.00 N ATOM 669 CA ILE A 44 -5.757 13.754 -10.299 1.00 0.00 C ATOM 670 C ILE A 44 -4.406 13.157 -9.916 1.00 0.00 C ATOM 671 O ILE A 44 -3.935 12.232 -10.579 1.00 0.00 O ATOM 672 CB ILE A 44 -6.858 13.211 -9.348 1.00 0.00 C ATOM 673 CG1 ILE A 44 -8.252 13.584 -9.867 1.00 0.00 C ATOM 674 CG2 ILE A 44 -6.669 13.749 -7.934 1.00 0.00 C ATOM 675 CD1 ILE A 44 -9.385 13.017 -9.038 1.00 0.00 C ATOM 0 H ILE A 44 -5.887 12.432 -11.915 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.735 14.839 -10.200 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.771 12.125 -9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.341 14.670 -9.893 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.354 13.232 -10.893 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.452 13.354 -7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.695 13.440 -7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.724 14.837 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.339 13.324 -9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.323 11.929 -9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.310 13.390 -8.016 1.00 0.00 H new ATOM 687 N ASN A 45 -3.795 13.668 -8.853 1.00 0.00 N ATOM 688 CA ASN A 45 -2.491 13.183 -8.390 1.00 0.00 C ATOM 689 C ASN A 45 -2.643 11.853 -7.646 1.00 0.00 C ATOM 690 O ASN A 45 -2.054 11.642 -6.579 1.00 0.00 O ATOM 691 CB ASN A 45 -1.842 14.226 -7.472 1.00 0.00 C ATOM 692 CG ASN A 45 -1.743 15.594 -8.125 1.00 0.00 C ATOM 693 OD1 ASN A 45 -2.671 16.400 -8.044 1.00 0.00 O ATOM 694 ND2 ASN A 45 -0.618 15.871 -8.758 1.00 0.00 N ATOM 0 H ASN A 45 -4.182 14.424 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.852 13.022 -9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.422 14.307 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.845 13.888 -7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.494 16.780 -9.203 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.127 15.176 -8.802 1.00 0.00 H new ATOM 701 N VAL A 46 -3.413 10.950 -8.237 1.00 0.00 N ATOM 702 CA VAL A 46 -3.729 9.673 -7.618 1.00 0.00 C ATOM 703 C VAL A 46 -2.493 8.793 -7.506 1.00 0.00 C ATOM 704 O VAL A 46 -2.350 8.042 -6.549 1.00 0.00 O ATOM 705 CB VAL A 46 -4.838 8.922 -8.392 1.00 0.00 C ATOM 706 CG1 VAL A 46 -6.162 9.661 -8.276 1.00 0.00 C ATOM 707 CG2 VAL A 46 -4.456 8.739 -9.856 1.00 0.00 C ATOM 0 H VAL A 46 -3.835 11.083 -9.156 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.097 9.891 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.950 7.934 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.931 9.119 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.449 9.732 -7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.057 10.663 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.253 8.208 -10.376 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.308 9.715 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.533 8.163 -9.922 1.00 0.00 H new ATOM 717 N ASN A 47 -1.579 8.919 -8.461 1.00 0.00 N ATOM 718 CA ASN A 47 -0.363 8.115 -8.460 1.00 0.00 C ATOM 719 C ASN A 47 0.675 8.730 -7.530 1.00 0.00 C ATOM 720 O ASN A 47 1.716 8.134 -7.255 1.00 0.00 O ATOM 721 CB ASN A 47 0.214 7.986 -9.875 1.00 0.00 C ATOM 722 CG ASN A 47 -0.714 7.258 -10.830 1.00 0.00 C ATOM 723 OD1 ASN A 47 -1.488 6.390 -10.428 1.00 0.00 O ATOM 724 ND2 ASN A 47 -0.637 7.604 -12.107 1.00 0.00 N ATOM 0 H ASN A 47 -1.656 9.568 -9.244 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.619 7.118 -8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.423 8.981 -10.268 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.165 7.456 -9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.233 7.146 -12.796 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.018 8.329 -12.400 1.00 0.00 H new ATOM 731 N GLU A 48 0.391 9.938 -7.061 1.00 0.00 N ATOM 732 CA GLU A 48 1.252 10.605 -6.098 1.00 0.00 C ATOM 733 C GLU A 48 0.744 10.357 -4.687 1.00 0.00 C ATOM 734 O GLU A 48 1.422 10.656 -3.701 1.00 0.00 O ATOM 735 CB GLU A 48 1.336 12.098 -6.396 1.00 0.00 C ATOM 736 CG GLU A 48 2.094 12.400 -7.676 1.00 0.00 C ATOM 737 CD GLU A 48 2.149 13.875 -7.989 1.00 0.00 C ATOM 738 OE1 GLU A 48 2.807 14.621 -7.233 1.00 0.00 O ATOM 739 OE2 GLU A 48 1.533 14.294 -8.990 1.00 0.00 O ATOM 0 H GLU A 48 -0.432 10.476 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 48 2.258 10.193 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.328 12.506 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.824 12.603 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.110 12.013 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.621 11.875 -8.506 1.00 0.00 H new ATOM 746 N LEU A 49 -0.469 9.838 -4.598 1.00 0.00 N ATOM 747 CA LEU A 49 -0.964 9.276 -3.352 1.00 0.00 C ATOM 748 C LEU A 49 -0.366 7.886 -3.177 1.00 0.00 C ATOM 749 O LEU A 49 -0.294 7.119 -4.132 1.00 0.00 O ATOM 750 CB LEU A 49 -2.492 9.199 -3.362 1.00 0.00 C ATOM 751 CG LEU A 49 -3.208 10.542 -3.508 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.708 10.333 -3.615 1.00 0.00 C ATOM 753 CD2 LEU A 49 -2.881 11.452 -2.335 1.00 0.00 C ATOM 0 H LEU A 49 -1.130 9.794 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.669 9.916 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.802 8.549 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.823 8.727 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.858 11.021 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.203 11.298 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.928 9.717 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.071 9.833 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.400 12.403 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.203 10.979 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.806 11.627 -2.299 1.00 0.00 H new ATOM 765 N PHE A 50 0.087 7.563 -1.977 1.00 0.00 N ATOM 766 CA PHE A 50 0.741 6.281 -1.747 1.00 0.00 C ATOM 767 C PHE A 50 0.160 5.562 -0.540 1.00 0.00 C ATOM 768 O PHE A 50 -0.646 6.119 0.209 1.00 0.00 O ATOM 769 CB PHE A 50 2.252 6.468 -1.556 1.00 0.00 C ATOM 770 CG PHE A 50 2.968 6.958 -2.783 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.136 6.127 -3.880 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.470 8.248 -2.841 1.00 0.00 C ATOM 773 CE1 PHE A 50 3.793 6.574 -5.010 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.129 8.700 -3.968 1.00 0.00 C ATOM 775 CZ PHE A 50 4.288 7.862 -5.054 1.00 0.00 C ATOM 0 H PHE A 50 0.016 8.162 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 50 0.562 5.667 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.420 7.175 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.689 5.518 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.749 5.119 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.345 8.908 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.919 5.917 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.519 9.707 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.799 8.214 -5.938 1.00 0.00 H new ATOM 785 N ALA A 51 0.572 4.318 -0.372 1.00 0.00 N ATOM 786 CA ALA A 51 0.191 3.526 0.782 1.00 0.00 C ATOM 787 C ALA A 51 1.393 3.356 1.696 1.00 0.00 C ATOM 788 O ALA A 51 2.509 3.162 1.221 1.00 0.00 O ATOM 789 CB ALA A 51 -0.340 2.173 0.338 1.00 0.00 C ATOM 0 H ALA A 51 1.179 3.830 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.601 4.039 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.623 1.588 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.212 2.316 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.433 1.643 -0.218 1.00 0.00 H new ATOM 795 N TYR A 52 1.178 3.443 2.997 1.00 0.00 N ATOM 796 CA TYR A 52 2.277 3.347 3.948 1.00 0.00 C ATOM 797 C TYR A 52 2.013 2.304 5.018 1.00 0.00 C ATOM 798 O TYR A 52 0.873 2.092 5.436 1.00 0.00 O ATOM 799 CB TYR A 52 2.559 4.709 4.597 1.00 0.00 C ATOM 800 CG TYR A 52 1.334 5.570 4.812 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.474 5.351 5.880 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.040 6.608 3.937 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.642 6.144 6.071 1.00 0.00 C ATOM 804 CE2 TYR A 52 -0.070 7.403 4.121 1.00 0.00 C ATOM 805 CZ TYR A 52 -0.911 7.165 5.185 1.00 0.00 C ATOM 806 OH TYR A 52 -2.018 7.963 5.371 1.00 0.00 O ATOM 0 H TYR A 52 0.260 3.579 3.419 1.00 0.00 H new ATOM 0 HA TYR A 52 3.157 3.033 3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.045 4.545 5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.266 5.255 3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.680 4.548 6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.693 6.795 3.098 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.299 5.965 6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.280 8.209 3.434 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.069 8.624 4.650 1.00 0.00 H new ATOM 816 N VAL A 53 3.080 1.642 5.437 1.00 0.00 N ATOM 817 CA VAL A 53 3.020 0.696 6.536 1.00 0.00 C ATOM 818 C VAL A 53 3.943 1.145 7.663 1.00 0.00 C ATOM 819 O VAL A 53 5.112 1.465 7.431 1.00 0.00 O ATOM 820 CB VAL A 53 3.400 -0.737 6.094 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.335 -1.314 5.178 1.00 0.00 C ATOM 822 CG2 VAL A 53 4.757 -0.759 5.403 1.00 0.00 C ATOM 0 H VAL A 53 4.008 1.746 5.026 1.00 0.00 H new ATOM 0 HA VAL A 53 1.988 0.673 6.887 1.00 0.00 H new ATOM 0 HB VAL A 53 3.465 -1.355 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.620 -2.322 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.382 -1.349 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.237 -0.686 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.997 -1.779 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.726 -0.120 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.521 -0.393 6.089 1.00 0.00 H new ATOM 832 N ASP A 54 3.409 1.199 8.875 1.00 0.00 N ATOM 833 CA ASP A 54 4.199 1.593 10.036 1.00 0.00 C ATOM 834 C ASP A 54 5.100 0.447 10.470 1.00 0.00 C ATOM 835 O ASP A 54 4.626 -0.637 10.814 1.00 0.00 O ATOM 836 CB ASP A 54 3.299 2.025 11.199 1.00 0.00 C ATOM 837 CG ASP A 54 2.559 3.321 10.925 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.144 4.403 11.135 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.383 3.264 10.512 1.00 0.00 O ATOM 0 H ASP A 54 2.435 0.976 9.081 1.00 0.00 H new ATOM 0 HA ASP A 54 4.816 2.445 9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.575 1.236 11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.906 2.142 12.097 1.00 0.00 H new ATOM 844 N LEU A 55 6.398 0.694 10.441 1.00 0.00 N ATOM 845 CA LEU A 55 7.391 -0.323 10.765 1.00 0.00 C ATOM 846 C LEU A 55 8.103 0.029 12.062 1.00 0.00 C ATOM 847 O LEU A 55 9.235 -0.389 12.291 1.00 0.00 O ATOM 848 CB LEU A 55 8.413 -0.417 9.630 1.00 0.00 C ATOM 849 CG LEU A 55 7.842 -0.802 8.267 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.897 -0.651 7.186 1.00 0.00 C ATOM 851 CD2 LEU A 55 7.325 -2.228 8.295 1.00 0.00 C ATOM 0 H LEU A 55 6.795 1.600 10.194 1.00 0.00 H new ATOM 0 HA LEU A 55 6.888 -1.282 10.888 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.916 0.545 9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.173 -1.148 9.907 1.00 0.00 H new ATOM 0 HG LEU A 55 7.013 -0.132 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.472 -0.930 6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.234 0.385 7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.744 -1.300 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.921 -2.488 7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.142 -2.906 8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.540 -2.316 9.046 1.00 0.00 H new ATOM 863 N SER A 56 7.416 0.769 12.915 1.00 0.00 N ATOM 864 CA SER A 56 8.035 1.378 14.083 1.00 0.00 C ATOM 865 C SER A 56 8.428 0.357 15.153 1.00 0.00 C ATOM 866 O SER A 56 9.435 0.533 15.838 1.00 0.00 O ATOM 867 CB SER A 56 7.093 2.430 14.662 1.00 0.00 C ATOM 868 OG SER A 56 6.725 3.371 13.662 1.00 0.00 O ATOM 0 H SER A 56 6.419 0.965 12.820 1.00 0.00 H new ATOM 0 HA SER A 56 8.964 1.846 13.757 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.201 1.948 15.062 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.578 2.943 15.493 1.00 0.00 H new ATOM 0 HG SER A 56 7.364 3.327 12.920 1.00 0.00 H new ATOM 874 N GLY A 57 7.654 -0.706 15.296 1.00 0.00 N ATOM 875 CA GLY A 57 7.947 -1.678 16.333 1.00 0.00 C ATOM 876 C GLY A 57 7.456 -3.070 16.002 1.00 0.00 C ATOM 877 O GLY A 57 6.352 -3.453 16.391 1.00 0.00 O ATOM 0 H GLY A 57 6.837 -0.914 14.722 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.024 -1.710 16.498 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.490 -1.351 17.267 1.00 0.00 H new ATOM 881 N SER A 58 8.278 -3.829 15.292 1.00 0.00 N ATOM 882 CA SER A 58 7.951 -5.204 14.943 1.00 0.00 C ATOM 883 C SER A 58 9.202 -6.077 14.979 1.00 0.00 C ATOM 884 O SER A 58 10.323 -5.573 14.858 1.00 0.00 O ATOM 885 CB SER A 58 7.302 -5.260 13.557 1.00 0.00 C ATOM 886 OG SER A 58 6.098 -4.510 13.523 1.00 0.00 O ATOM 0 H SER A 58 9.183 -3.513 14.944 1.00 0.00 H new ATOM 0 HA SER A 58 7.242 -5.588 15.676 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.996 -4.872 12.812 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.095 -6.297 13.291 1.00 0.00 H new ATOM 0 HG SER A 58 5.383 -5.057 13.136 1.00 0.00 H new ATOM 892 N GLU A 59 9.006 -7.377 15.173 1.00 0.00 N ATOM 893 CA GLU A 59 10.107 -8.333 15.214 1.00 0.00 C ATOM 894 C GLU A 59 10.798 -8.407 13.855 1.00 0.00 C ATOM 895 O GLU A 59 10.147 -8.275 12.815 1.00 0.00 O ATOM 896 CB GLU A 59 9.611 -9.734 15.609 1.00 0.00 C ATOM 897 CG GLU A 59 8.755 -9.779 16.869 1.00 0.00 C ATOM 898 CD GLU A 59 7.304 -9.427 16.608 1.00 0.00 C ATOM 899 OE1 GLU A 59 6.512 -10.338 16.302 1.00 0.00 O ATOM 900 OE2 GLU A 59 6.949 -8.232 16.697 1.00 0.00 O ATOM 0 H GLU A 59 8.085 -7.796 15.306 1.00 0.00 H new ATOM 0 HA GLU A 59 10.817 -7.987 15.966 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.035 -10.147 14.781 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.475 -10.383 15.751 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.809 -10.777 17.304 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.165 -9.088 17.606 1.00 0.00 H new ATOM 907 N PRO A 60 12.124 -8.611 13.843 1.00 0.00 N ATOM 908 CA PRO A 60 12.897 -8.728 12.606 1.00 0.00 C ATOM 909 C PRO A 60 12.616 -10.041 11.876 1.00 0.00 C ATOM 910 O PRO A 60 13.252 -11.063 12.143 1.00 0.00 O ATOM 911 CB PRO A 60 14.362 -8.671 13.068 1.00 0.00 C ATOM 912 CG PRO A 60 14.316 -8.273 14.508 1.00 0.00 C ATOM 913 CD PRO A 60 12.984 -8.730 15.025 1.00 0.00 C ATOM 0 HA PRO A 60 12.641 -7.941 11.897 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.850 -9.638 12.944 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.930 -7.950 12.480 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.130 -8.736 15.066 1.00 0.00 H new ATOM 0 HG3 PRO A 60 14.427 -7.194 14.618 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.023 -9.754 15.396 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.632 -8.106 15.847 1.00 0.00 H new ATOM 921 N GLY A 61 11.643 -10.003 10.983 1.00 0.00 N ATOM 922 CA GLY A 61 11.287 -11.168 10.199 1.00 0.00 C ATOM 923 C GLY A 61 10.033 -10.910 9.399 1.00 0.00 C ATOM 924 O GLY A 61 9.608 -9.761 9.285 1.00 0.00 O ATOM 0 H GLY A 61 11.084 -9.173 10.784 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.106 -11.425 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.135 -12.023 10.858 1.00 0.00 H new ATOM 928 N GLU A 62 9.439 -11.958 8.848 1.00 0.00 N ATOM 929 CA GLU A 62 8.193 -11.816 8.102 1.00 0.00 C ATOM 930 C GLU A 62 7.020 -11.662 9.057 1.00 0.00 C ATOM 931 O GLU A 62 6.694 -12.583 9.807 1.00 0.00 O ATOM 932 CB GLU A 62 7.958 -13.016 7.189 1.00 0.00 C ATOM 933 CG GLU A 62 8.963 -13.127 6.059 1.00 0.00 C ATOM 934 CD GLU A 62 8.605 -14.218 5.079 1.00 0.00 C ATOM 935 OE1 GLU A 62 7.755 -13.977 4.196 1.00 0.00 O ATOM 936 OE2 GLU A 62 9.162 -15.328 5.189 1.00 0.00 O ATOM 0 H GLU A 62 9.796 -12.912 8.902 1.00 0.00 H new ATOM 0 HA GLU A 62 8.275 -10.922 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.993 -13.928 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.955 -12.949 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.022 -12.174 5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.952 -13.324 6.473 1.00 0.00 H new ATOM 943 N HIS A 63 6.403 -10.490 9.047 1.00 0.00 N ATOM 944 CA HIS A 63 5.267 -10.222 9.917 1.00 0.00 C ATOM 945 C HIS A 63 4.199 -9.427 9.182 1.00 0.00 C ATOM 946 O HIS A 63 4.409 -8.986 8.051 1.00 0.00 O ATOM 947 CB HIS A 63 5.714 -9.486 11.184 1.00 0.00 C ATOM 948 CG HIS A 63 6.540 -10.336 12.100 1.00 0.00 C ATOM 949 ND1 HIS A 63 5.993 -11.224 12.999 1.00 0.00 N ATOM 950 CD2 HIS A 63 7.881 -10.457 12.228 1.00 0.00 C ATOM 951 CE1 HIS A 63 6.960 -11.853 13.638 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.118 -11.409 13.187 1.00 0.00 N ATOM 0 H HIS A 63 6.669 -9.710 8.447 1.00 0.00 H new ATOM 0 HA HIS A 63 4.835 -11.178 10.213 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.289 -8.604 10.901 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.834 -9.134 11.721 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.995 -11.372 13.148 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.628 -9.905 11.677 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.827 -12.605 14.402 1.00 0.00 H new ATOM 961 N ASP A 64 3.062 -9.238 9.838 1.00 0.00 N ATOM 962 CA ASP A 64 1.903 -8.616 9.212 1.00 0.00 C ATOM 963 C ASP A 64 1.871 -7.121 9.483 1.00 0.00 C ATOM 964 O ASP A 64 2.066 -6.680 10.620 1.00 0.00 O ATOM 965 CB ASP A 64 0.610 -9.254 9.725 1.00 0.00 C ATOM 966 CG ASP A 64 0.523 -10.733 9.418 1.00 0.00 C ATOM 967 OD1 ASP A 64 0.108 -11.092 8.299 1.00 0.00 O ATOM 968 OD2 ASP A 64 0.863 -11.551 10.301 1.00 0.00 O ATOM 0 H ASP A 64 2.917 -9.509 10.811 1.00 0.00 H new ATOM 0 HA ASP A 64 1.983 -8.775 8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.541 -9.107 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.243 -8.744 9.278 1.00 0.00 H new ATOM 973 N TYR A 65 1.632 -6.348 8.437 1.00 0.00 N ATOM 974 CA TYR A 65 1.538 -4.901 8.553 1.00 0.00 C ATOM 975 C TYR A 65 0.287 -4.400 7.847 1.00 0.00 C ATOM 976 O TYR A 65 -0.029 -4.845 6.741 1.00 0.00 O ATOM 977 CB TYR A 65 2.781 -4.234 7.953 1.00 0.00 C ATOM 978 CG TYR A 65 4.078 -4.738 8.544 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.554 -4.243 9.751 1.00 0.00 C ATOM 980 CD2 TYR A 65 4.818 -5.718 7.899 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.734 -4.713 10.295 1.00 0.00 C ATOM 982 CE2 TYR A 65 5.996 -6.194 8.439 1.00 0.00 C ATOM 983 CZ TYR A 65 6.450 -5.689 9.636 1.00 0.00 C ATOM 984 OH TYR A 65 7.620 -6.165 10.176 1.00 0.00 O ATOM 0 H TYR A 65 1.498 -6.702 7.490 1.00 0.00 H new ATOM 0 HA TYR A 65 1.478 -4.641 9.610 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.791 -4.403 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.715 -3.157 8.106 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.994 -3.480 10.272 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.467 -6.115 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.094 -4.317 11.233 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.559 -6.959 7.925 1.00 0.00 H new ATOM 0 HH TYR A 65 7.998 -6.850 9.586 1.00 0.00 H new ATOM 994 N GLU A 66 -0.429 -3.494 8.497 1.00 0.00 N ATOM 995 CA GLU A 66 -1.632 -2.911 7.921 1.00 0.00 C ATOM 996 C GLU A 66 -1.263 -1.833 6.910 1.00 0.00 C ATOM 997 O GLU A 66 -0.509 -0.909 7.221 1.00 0.00 O ATOM 998 CB GLU A 66 -2.523 -2.321 9.019 1.00 0.00 C ATOM 999 CG GLU A 66 -3.795 -1.671 8.496 1.00 0.00 C ATOM 1000 CD GLU A 66 -4.644 -1.079 9.600 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -4.288 -0.003 10.120 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -5.669 -1.694 9.964 1.00 0.00 O ATOM 0 H GLU A 66 -0.197 -3.146 9.427 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.186 -3.699 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.792 -3.112 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.952 -1.580 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.532 -0.887 7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.380 -2.412 7.951 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.784 -1.966 5.701 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.517 -1.006 4.646 1.00 0.00 C ATOM 1011 C VAL A 67 -2.482 0.169 4.735 1.00 0.00 C ATOM 1012 O VAL A 67 -3.675 0.039 4.454 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.619 -1.656 3.253 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.368 -0.631 2.160 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.639 -2.811 3.136 1.00 0.00 C ATOM 0 H VAL A 67 -2.397 -2.734 5.427 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.497 -0.646 4.783 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.630 -2.044 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.445 -1.112 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.109 0.165 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.370 -0.210 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.723 -3.260 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.376 -2.443 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.867 -3.560 3.895 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.958 1.313 5.138 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.761 2.513 5.283 1.00 0.00 C ATOM 1027 C LYS A 68 -2.574 3.410 4.063 1.00 0.00 C ATOM 1028 O LYS A 68 -1.472 3.886 3.791 1.00 0.00 O ATOM 1029 CB LYS A 68 -2.366 3.237 6.572 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.464 2.344 7.800 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.787 2.956 9.016 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.766 1.971 10.176 1.00 0.00 C ATOM 1033 NZ LYS A 68 -0.978 2.471 11.334 1.00 0.00 N ATOM 0 H LYS A 68 -0.973 1.436 5.372 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.816 2.248 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.345 3.608 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.009 4.106 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.514 2.157 8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.008 1.378 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.768 3.247 8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.313 3.863 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.788 1.770 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.346 1.024 9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.537 1.668 11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.238 3.119 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.607 2.976 11.990 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.647 3.611 3.315 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.584 4.359 2.065 1.00 0.00 C ATOM 1049 C VAL A 69 -4.103 5.785 2.256 1.00 0.00 C ATOM 1050 O VAL A 69 -4.972 6.029 3.096 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.410 3.655 0.961 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.200 4.318 -0.393 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.064 2.174 0.893 1.00 0.00 C ATOM 0 H VAL A 69 -4.577 3.266 3.551 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.539 4.399 1.758 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.464 3.752 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.793 3.801 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.511 5.361 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.145 4.267 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.655 1.698 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.004 2.058 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.285 1.704 1.852 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.550 6.718 1.487 1.00 0.00 N ATOM 1064 CA GLU A 70 -4.004 8.106 1.498 1.00 0.00 C ATOM 1065 C GLU A 70 -5.451 8.214 1.020 1.00 0.00 C ATOM 1066 O GLU A 70 -5.881 7.463 0.143 1.00 0.00 O ATOM 1067 CB GLU A 70 -3.097 8.965 0.614 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.706 9.175 1.189 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.713 10.054 2.422 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -2.297 9.649 3.448 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -1.117 11.151 2.376 1.00 0.00 O ATOM 0 H GLU A 70 -2.780 6.536 0.843 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.954 8.470 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.009 8.495 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.568 9.936 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.270 8.208 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.067 9.626 0.430 1.00 0.00 H new ATOM 1078 N PRO A 71 -6.224 9.138 1.608 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.621 9.354 1.241 1.00 0.00 C ATOM 1080 C PRO A 71 -7.777 10.265 0.025 1.00 0.00 C ATOM 1081 O PRO A 71 -6.953 11.151 -0.218 1.00 0.00 O ATOM 1082 CB PRO A 71 -8.192 10.026 2.486 1.00 0.00 C ATOM 1083 CG PRO A 71 -7.051 10.802 3.052 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.796 10.046 2.692 1.00 0.00 C ATOM 0 HA PRO A 71 -8.121 8.428 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.029 10.678 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.563 9.290 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.027 11.811 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.148 10.900 4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.006 10.719 2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.405 9.492 3.546 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.837 10.040 -0.738 1.00 0.00 N ATOM 1093 CA ILE A 72 -9.129 10.862 -1.903 1.00 0.00 C ATOM 1094 C ILE A 72 -10.471 11.566 -1.711 1.00 0.00 C ATOM 1095 O ILE A 72 -11.503 10.912 -1.564 1.00 0.00 O ATOM 1096 CB ILE A 72 -9.181 10.021 -3.200 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.971 9.087 -3.286 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -9.232 10.938 -4.418 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.993 8.167 -4.490 1.00 0.00 C ATOM 0 H ILE A 72 -9.511 9.293 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.326 11.593 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.084 9.410 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.062 9.687 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.925 8.483 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.268 10.336 -5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.121 11.566 -4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.343 11.568 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.104 7.536 -4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.884 7.540 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.007 8.763 -5.403 1.00 0.00 H new ATOM 1111 N PRO A 73 -10.480 12.908 -1.702 1.00 0.00 N ATOM 1112 CA PRO A 73 -11.694 13.688 -1.466 1.00 0.00 C ATOM 1113 C PRO A 73 -12.511 13.911 -2.732 1.00 0.00 C ATOM 1114 O PRO A 73 -13.345 14.818 -2.811 1.00 0.00 O ATOM 1115 CB PRO A 73 -11.139 15.004 -0.931 1.00 0.00 C ATOM 1116 CG PRO A 73 -9.826 15.166 -1.624 1.00 0.00 C ATOM 1117 CD PRO A 73 -9.305 13.775 -1.903 1.00 0.00 C ATOM 0 HA PRO A 73 -12.387 13.187 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.809 15.836 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.015 14.972 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.945 15.727 -2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.126 15.723 -1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.915 13.691 -2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.493 13.510 -1.226 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.276 13.057 -3.701 1.00 0.00 N ATOM 1126 CA ASN A 74 -12.962 13.121 -4.987 1.00 0.00 C ATOM 1127 C ASN A 74 -13.488 11.742 -5.340 1.00 0.00 C ATOM 1128 O ASN A 74 -14.680 11.549 -5.563 1.00 0.00 O ATOM 1129 CB ASN A 74 -12.027 13.609 -6.108 1.00 0.00 C ATOM 1130 CG ASN A 74 -11.643 15.077 -5.997 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -11.514 15.627 -4.906 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -11.460 15.725 -7.136 1.00 0.00 N ATOM 0 H ASN A 74 -11.604 12.294 -3.627 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.782 13.834 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.120 13.005 -6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.512 13.442 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.204 16.712 -7.126 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.575 15.237 -8.024 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.577 10.784 -5.370 1.00 0.00 N ATOM 1140 CA ILE A 75 -12.912 9.402 -5.661 1.00 0.00 C ATOM 1141 C ILE A 75 -12.858 8.593 -4.374 1.00 0.00 C ATOM 1142 O ILE A 75 -11.948 8.773 -3.568 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.931 8.796 -6.685 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.835 9.688 -7.923 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -12.362 7.388 -7.076 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.774 9.245 -8.899 1.00 0.00 C ATOM 0 H ILE A 75 -11.585 10.943 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.915 9.372 -6.086 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.946 8.736 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.801 9.701 -8.428 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.626 10.711 -7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.656 6.979 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.381 6.754 -6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.357 7.422 -7.520 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.760 9.922 -9.753 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.800 9.259 -8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.994 8.234 -9.241 1.00 0.00 H new ATOM 1158 N LYS A 76 -13.822 7.713 -4.175 1.00 0.00 N ATOM 1159 CA LYS A 76 -13.873 6.927 -2.954 1.00 0.00 C ATOM 1160 C LYS A 76 -13.095 5.635 -3.115 1.00 0.00 C ATOM 1161 O LYS A 76 -13.234 4.941 -4.120 1.00 0.00 O ATOM 1162 CB LYS A 76 -15.316 6.619 -2.563 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.099 7.842 -2.122 1.00 0.00 C ATOM 1164 CD LYS A 76 -17.473 7.458 -1.602 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.372 6.941 -2.711 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.716 6.567 -2.202 1.00 0.00 N ATOM 0 H LYS A 76 -14.575 7.525 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.416 7.517 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.823 6.159 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.317 5.887 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.547 8.369 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.204 8.531 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.369 6.693 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.938 8.324 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.475 7.705 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.907 6.074 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.301 6.219 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.620 5.820 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.170 7.400 -1.776 1.00 0.00 H new ATOM 1180 N ILE A 77 -12.267 5.319 -2.132 1.00 0.00 N ATOM 1181 CA ILE A 77 -11.536 4.065 -2.148 1.00 0.00 C ATOM 1182 C ILE A 77 -12.417 2.950 -1.587 1.00 0.00 C ATOM 1183 O ILE A 77 -12.939 3.039 -0.475 1.00 0.00 O ATOM 1184 CB ILE A 77 -10.196 4.155 -1.376 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -9.423 2.836 -1.496 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -10.426 4.513 0.087 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.049 2.874 -0.861 1.00 0.00 C ATOM 0 H ILE A 77 -12.086 5.909 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.282 3.838 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.600 4.951 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.006 2.040 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.319 2.581 -2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.467 4.569 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.929 5.478 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.046 3.749 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.564 1.906 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.448 3.646 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.145 3.097 0.202 1.00 0.00 H new ATOM 1199 N VAL A 78 -12.602 1.919 -2.385 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.511 0.837 -2.051 1.00 0.00 C ATOM 1201 C VAL A 78 -12.772 -0.303 -1.374 1.00 0.00 C ATOM 1202 O VAL A 78 -13.036 -0.643 -0.222 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.194 0.301 -3.324 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.208 -0.778 -2.995 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -14.837 1.434 -4.096 1.00 0.00 C ATOM 0 H VAL A 78 -12.129 1.805 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.261 1.233 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.428 -0.153 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.671 -1.134 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.707 -1.608 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.975 -0.368 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.315 1.038 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.585 1.922 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.074 2.159 -4.381 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.823 -0.865 -2.095 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.134 -2.061 -1.653 1.00 0.00 C ATOM 1217 C GLU A 79 -9.653 -1.782 -1.489 1.00 0.00 C ATOM 1218 O GLU A 79 -9.041 -1.153 -2.348 1.00 0.00 O ATOM 1219 CB GLU A 79 -11.336 -3.183 -2.673 1.00 0.00 C ATOM 1220 CG GLU A 79 -10.636 -4.475 -2.304 1.00 0.00 C ATOM 1221 CD GLU A 79 -10.598 -5.465 -3.446 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -11.639 -6.083 -3.739 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -9.521 -5.639 -4.052 1.00 0.00 O ATOM 0 H GLU A 79 -11.509 -0.509 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.545 -2.368 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.403 -3.376 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.973 -2.848 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.617 -4.253 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.144 -4.928 -1.453 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.089 -2.238 -0.384 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.662 -2.114 -0.153 1.00 0.00 C ATOM 1232 C ILE A 80 -7.007 -3.486 -0.251 1.00 0.00 C ATOM 1233 O ILE A 80 -7.226 -4.348 0.602 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.355 -1.489 1.224 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.073 -0.143 1.370 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -5.852 -1.314 1.403 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -7.879 0.511 2.722 1.00 0.00 C ATOM 0 H ILE A 80 -9.600 -2.699 0.369 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.257 -1.450 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.720 -2.161 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.716 0.535 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.139 -0.290 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.651 -0.872 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.362 -2.285 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.466 -0.659 0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.417 1.459 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.263 -0.146 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.817 0.692 2.890 1.00 0.00 H new ATOM 1249 N SER A 81 -6.237 -3.695 -1.306 1.00 0.00 N ATOM 1250 CA SER A 81 -5.558 -4.961 -1.520 1.00 0.00 C ATOM 1251 C SER A 81 -4.101 -4.731 -1.899 1.00 0.00 C ATOM 1252 O SER A 81 -3.809 -3.998 -2.841 1.00 0.00 O ATOM 1253 CB SER A 81 -6.262 -5.759 -2.619 1.00 0.00 C ATOM 1254 OG SER A 81 -7.609 -6.036 -2.267 1.00 0.00 O ATOM 0 H SER A 81 -6.066 -2.999 -2.032 1.00 0.00 H new ATOM 0 HA SER A 81 -5.591 -5.529 -0.590 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.235 -5.199 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.729 -6.694 -2.792 1.00 0.00 H new ATOM 0 HG SER A 81 -8.181 -5.930 -3.055 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.167 -5.327 -1.152 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.472 -6.088 0.054 1.00 0.00 C ATOM 1262 C PRO A 82 -3.665 -5.175 1.262 1.00 0.00 C ATOM 1263 O PRO A 82 -2.983 -4.161 1.395 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.230 -6.977 0.251 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.312 -6.669 -0.892 1.00 0.00 C ATOM 1266 CD PRO A 82 -1.734 -5.334 -1.432 1.00 0.00 C ATOM 0 HA PRO A 82 -4.399 -6.654 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.748 -6.767 1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.503 -8.032 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.274 -6.642 -0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.380 -7.438 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.218 -4.512 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.527 -5.242 -2.498 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.605 -5.530 2.122 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.866 -4.756 3.328 1.00 0.00 C ATOM 1276 C ARG A 83 -3.827 -5.071 4.392 1.00 0.00 C ATOM 1277 O ARG A 83 -3.390 -4.194 5.136 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.264 -5.063 3.855 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.175 -3.851 3.893 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.619 -4.263 4.106 1.00 0.00 C ATOM 1281 NE ARG A 83 -9.095 -5.136 3.033 1.00 0.00 N ATOM 1282 CZ ARG A 83 -10.232 -5.829 3.091 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.976 -5.800 4.186 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -10.613 -6.570 2.061 1.00 0.00 N ATOM 0 H ARG A 83 -5.201 -6.350 2.009 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.805 -3.696 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.719 -5.831 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.182 -5.478 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.862 -3.181 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.086 -3.295 2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.714 -4.777 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.248 -3.374 4.158 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.524 -5.219 2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.680 -5.246 4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.845 -6.332 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.036 -6.611 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.484 -7.099 2.108 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.441 -6.334 4.459 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.420 -6.774 5.392 1.00 0.00 C ATOM 1300 C VAL A 84 -1.301 -7.467 4.630 1.00 0.00 C ATOM 1301 O VAL A 84 -1.525 -8.491 3.981 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.992 -7.741 6.455 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.922 -8.128 7.462 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -4.188 -7.123 7.165 1.00 0.00 C ATOM 0 H VAL A 84 -3.823 -7.077 3.873 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.038 -5.894 5.909 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.327 -8.643 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.346 -8.808 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.098 -8.620 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.553 -7.233 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.572 -7.823 7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.881 -6.201 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.969 -6.902 6.437 1.00 0.00 H new ATOM 1314 N VAL A 85 -0.105 -6.906 4.694 1.00 0.00 N ATOM 1315 CA VAL A 85 1.027 -7.454 3.963 1.00 0.00 C ATOM 1316 C VAL A 85 2.008 -8.132 4.905 1.00 0.00 C ATOM 1317 O VAL A 85 2.094 -7.783 6.084 1.00 0.00 O ATOM 1318 CB VAL A 85 1.768 -6.374 3.146 1.00 0.00 C ATOM 1319 CG1 VAL A 85 0.890 -5.848 2.023 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.227 -5.234 4.046 1.00 0.00 C ATOM 0 H VAL A 85 0.108 -6.073 5.243 1.00 0.00 H new ATOM 0 HA VAL A 85 0.621 -8.191 3.270 1.00 0.00 H new ATOM 0 HB VAL A 85 2.650 -6.835 2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.434 -5.088 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.621 -6.668 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.015 -5.410 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.747 -4.485 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.361 -4.778 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.902 -5.622 4.809 1.00 0.00 H new ATOM 1330 N THR A 86 2.728 -9.107 4.383 1.00 0.00 N ATOM 1331 CA THR A 86 3.732 -9.816 5.148 1.00 0.00 C ATOM 1332 C THR A 86 5.124 -9.436 4.658 1.00 0.00 C ATOM 1333 O THR A 86 5.592 -9.940 3.635 1.00 0.00 O ATOM 1334 CB THR A 86 3.532 -11.337 5.032 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.152 -11.655 5.265 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.405 -12.081 6.033 1.00 0.00 C ATOM 0 H THR A 86 2.633 -9.428 3.420 1.00 0.00 H new ATOM 0 HA THR A 86 3.630 -9.533 6.196 1.00 0.00 H new ATOM 0 HB THR A 86 3.821 -11.649 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.022 -12.623 5.190 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.244 -13.154 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.453 -11.851 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.144 -11.771 7.045 1.00 0.00 H new ATOM 1344 N LEU A 87 5.767 -8.529 5.373 1.00 0.00 N ATOM 1345 CA LEU A 87 7.076 -8.036 4.976 1.00 0.00 C ATOM 1346 C LEU A 87 8.161 -8.679 5.823 1.00 0.00 C ATOM 1347 O LEU A 87 7.966 -8.910 7.017 1.00 0.00 O ATOM 1348 CB LEU A 87 7.138 -6.512 5.110 1.00 0.00 C ATOM 1349 CG LEU A 87 6.113 -5.739 4.274 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.223 -4.248 4.545 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.308 -6.027 2.791 1.00 0.00 C ATOM 0 H LEU A 87 5.404 -8.118 6.233 1.00 0.00 H new ATOM 0 HA LEU A 87 7.242 -8.301 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.999 -6.250 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.137 -6.179 4.828 1.00 0.00 H new ATOM 0 HG LEU A 87 5.115 -6.069 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.488 -3.714 3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.036 -4.055 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.224 -3.904 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.571 -5.470 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.311 -5.724 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.181 -7.094 2.608 1.00 0.00 H new ATOM 1363 N GLN A 88 9.293 -8.974 5.201 1.00 0.00 N ATOM 1364 CA GLN A 88 10.407 -9.600 5.890 1.00 0.00 C ATOM 1365 C GLN A 88 11.439 -8.560 6.306 1.00 0.00 C ATOM 1366 O GLN A 88 12.168 -8.015 5.468 1.00 0.00 O ATOM 1367 CB GLN A 88 11.059 -10.651 4.990 1.00 0.00 C ATOM 1368 CG GLN A 88 12.237 -11.370 5.627 1.00 0.00 C ATOM 1369 CD GLN A 88 12.863 -12.387 4.696 1.00 0.00 C ATOM 1370 OE1 GLN A 88 12.187 -12.975 3.851 1.00 0.00 O ATOM 1371 NE2 GLN A 88 14.158 -12.598 4.837 1.00 0.00 N ATOM 0 H GLN A 88 9.463 -8.787 4.213 1.00 0.00 H new ATOM 0 HA GLN A 88 10.024 -10.085 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.307 -11.388 4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.395 -10.169 4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.990 -10.639 5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.905 -11.870 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.683 -12.091 5.549 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.634 -13.269 4.234 1.00 0.00 H new ATOM 1380 N LEU A 89 11.483 -8.270 7.595 1.00 0.00 N ATOM 1381 CA LEU A 89 12.502 -7.389 8.135 1.00 0.00 C ATOM 1382 C LEU A 89 13.733 -8.194 8.525 1.00 0.00 C ATOM 1383 O LEU A 89 13.641 -9.377 8.852 1.00 0.00 O ATOM 1384 CB LEU A 89 11.979 -6.605 9.344 1.00 0.00 C ATOM 1385 CG LEU A 89 10.875 -5.588 9.042 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.549 -4.773 10.284 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.286 -4.670 7.898 1.00 0.00 C ATOM 0 H LEU A 89 10.825 -8.632 8.286 1.00 0.00 H new ATOM 0 HA LEU A 89 12.772 -6.670 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.603 -7.315 10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.816 -6.081 9.805 1.00 0.00 H new ATOM 0 HG LEU A 89 9.981 -6.134 8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.762 -4.055 10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.210 -5.439 11.077 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.441 -4.240 10.614 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.487 -3.955 7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.194 -4.133 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.471 -5.264 7.003 1.00 0.00 H new ATOM 1399 N GLU A 90 14.882 -7.556 8.463 1.00 0.00 N ATOM 1400 CA GLU A 90 16.133 -8.193 8.818 1.00 0.00 C ATOM 1401 C GLU A 90 16.917 -7.286 9.759 1.00 0.00 C ATOM 1402 O GLU A 90 16.571 -6.117 9.930 1.00 0.00 O ATOM 1403 CB GLU A 90 16.933 -8.503 7.547 1.00 0.00 C ATOM 1404 CG GLU A 90 18.147 -9.388 7.779 1.00 0.00 C ATOM 1405 CD GLU A 90 17.823 -10.591 8.636 1.00 0.00 C ATOM 1406 OE1 GLU A 90 17.231 -11.560 8.121 1.00 0.00 O ATOM 1407 OE2 GLU A 90 18.146 -10.565 9.841 1.00 0.00 O ATOM 0 H GLU A 90 14.976 -6.585 8.166 1.00 0.00 H new ATOM 0 HA GLU A 90 15.939 -9.133 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.275 -8.988 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.261 -7.565 7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.539 -9.723 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.933 -8.805 8.258 1.00 0.00 H new ATOM 1414 N HIS A 91 17.955 -7.826 10.371 1.00 0.00 N ATOM 1415 CA HIS A 91 18.764 -7.083 11.323 1.00 0.00 C ATOM 1416 C HIS A 91 19.643 -6.064 10.606 1.00 0.00 C ATOM 1417 O HIS A 91 20.549 -6.426 9.856 1.00 0.00 O ATOM 1418 CB HIS A 91 19.626 -8.045 12.142 1.00 0.00 C ATOM 1419 CG HIS A 91 18.829 -9.008 12.966 1.00 0.00 C ATOM 1420 ND1 HIS A 91 18.304 -10.177 12.460 1.00 0.00 N ATOM 1421 CD2 HIS A 91 18.463 -8.969 14.268 1.00 0.00 C ATOM 1422 CE1 HIS A 91 17.652 -10.813 13.413 1.00 0.00 C ATOM 1423 NE2 HIS A 91 17.734 -10.104 14.524 1.00 0.00 N ATOM 0 H HIS A 91 18.261 -8.788 10.224 1.00 0.00 H new ATOM 0 HA HIS A 91 18.098 -6.544 11.996 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.273 -8.605 11.467 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.276 -7.468 12.800 1.00 0.00 H new ATOM 0 HD1 HIS A 91 18.404 -10.500 11.498 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.701 -8.189 14.976 1.00 0.00 H new ATOM 0 HE1 HIS A 91 17.137 -11.756 13.303 1.00 0.00 H new ATOM 1432 N HIS A 92 19.365 -4.791 10.836 1.00 0.00 N ATOM 1433 CA HIS A 92 20.117 -3.720 10.201 1.00 0.00 C ATOM 1434 C HIS A 92 21.327 -3.352 11.053 1.00 0.00 C ATOM 1435 O HIS A 92 21.228 -2.560 11.987 1.00 0.00 O ATOM 1436 CB HIS A 92 19.214 -2.499 9.978 1.00 0.00 C ATOM 1437 CG HIS A 92 19.856 -1.357 9.242 1.00 0.00 C ATOM 1438 ND1 HIS A 92 19.629 -1.092 7.907 1.00 0.00 N ATOM 1439 CD2 HIS A 92 20.690 -0.384 9.675 1.00 0.00 C ATOM 1440 CE1 HIS A 92 20.295 -0.007 7.558 1.00 0.00 C ATOM 1441 NE2 HIS A 92 20.944 0.444 8.612 1.00 0.00 N ATOM 0 H HIS A 92 18.623 -4.473 11.459 1.00 0.00 H new ATOM 0 HA HIS A 92 20.473 -4.063 9.230 1.00 0.00 H new ATOM 0 HB2 HIS A 92 18.330 -2.816 9.425 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.871 -2.139 10.948 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.084 -0.279 10.675 1.00 0.00 H new ATOM 0 HE1 HIS A 92 20.306 0.437 6.573 1.00 0.00 H new ATOM 0 HE2 HIS A 92 21.538 1.273 8.634 1.00 0.00 H new ATOM 1450 N HIS A 93 22.459 -3.961 10.742 1.00 0.00 N ATOM 1451 CA HIS A 93 23.707 -3.651 11.426 1.00 0.00 C ATOM 1452 C HIS A 93 24.585 -2.790 10.535 1.00 0.00 C ATOM 1453 O HIS A 93 24.425 -2.790 9.316 1.00 0.00 O ATOM 1454 CB HIS A 93 24.464 -4.928 11.804 1.00 0.00 C ATOM 1455 CG HIS A 93 23.825 -5.713 12.904 1.00 0.00 C ATOM 1456 ND1 HIS A 93 24.115 -5.512 14.233 1.00 0.00 N ATOM 1457 CD2 HIS A 93 22.917 -6.714 12.866 1.00 0.00 C ATOM 1458 CE1 HIS A 93 23.414 -6.355 14.965 1.00 0.00 C ATOM 1459 NE2 HIS A 93 22.677 -7.097 14.161 1.00 0.00 N ATOM 0 H HIS A 93 22.541 -4.675 10.018 1.00 0.00 H new ATOM 0 HA HIS A 93 23.464 -3.110 12.340 1.00 0.00 H new ATOM 0 HB2 HIS A 93 24.549 -5.562 10.921 1.00 0.00 H new ATOM 0 HB3 HIS A 93 25.478 -4.662 12.104 1.00 0.00 H new ATOM 0 HD2 HIS A 93 22.464 -7.134 11.980 1.00 0.00 H new ATOM 0 HE1 HIS A 93 23.439 -6.426 16.042 1.00 0.00 H new ATOM 0 HE2 HIS A 93 22.035 -7.834 14.454 1.00 0.00 H new ATOM 1468 N HIS A 94 25.502 -2.050 11.140 1.00 0.00 N ATOM 1469 CA HIS A 94 26.433 -1.235 10.372 1.00 0.00 C ATOM 1470 C HIS A 94 27.693 -2.037 10.059 1.00 0.00 C ATOM 1471 O HIS A 94 28.359 -1.799 9.056 1.00 0.00 O ATOM 1472 CB HIS A 94 26.783 0.051 11.125 1.00 0.00 C ATOM 1473 CG HIS A 94 27.497 1.064 10.281 1.00 0.00 C ATOM 1474 ND1 HIS A 94 26.837 1.983 9.496 1.00 0.00 N ATOM 1475 CD2 HIS A 94 28.818 1.293 10.093 1.00 0.00 C ATOM 1476 CE1 HIS A 94 27.720 2.731 8.864 1.00 0.00 C ATOM 1477 NE2 HIS A 94 28.927 2.335 9.208 1.00 0.00 N ATOM 0 H HIS A 94 25.622 -1.996 12.152 1.00 0.00 H new ATOM 0 HA HIS A 94 25.955 -0.953 9.434 1.00 0.00 H new ATOM 0 HB2 HIS A 94 25.867 0.495 11.514 1.00 0.00 H new ATOM 0 HB3 HIS A 94 27.406 -0.199 11.984 1.00 0.00 H new ATOM 0 HD2 HIS A 94 29.634 0.756 10.554 1.00 0.00 H new ATOM 0 HE1 HIS A 94 27.491 3.534 8.179 1.00 0.00 H new ATOM 0 HE2 HIS A 94 29.802 2.738 8.871 1.00 0.00 H new ATOM 1486 N HIS A 95 28.018 -2.987 10.926 1.00 0.00 N ATOM 1487 CA HIS A 95 29.129 -3.897 10.678 1.00 0.00 C ATOM 1488 C HIS A 95 28.611 -5.236 10.171 1.00 0.00 C ATOM 1489 O HIS A 95 28.189 -6.089 10.958 1.00 0.00 O ATOM 1490 CB HIS A 95 29.972 -4.118 11.940 1.00 0.00 C ATOM 1491 CG HIS A 95 31.048 -3.094 12.150 1.00 0.00 C ATOM 1492 ND1 HIS A 95 32.385 -3.350 11.924 1.00 0.00 N ATOM 1493 CD2 HIS A 95 30.984 -1.814 12.588 1.00 0.00 C ATOM 1494 CE1 HIS A 95 33.091 -2.274 12.216 1.00 0.00 C ATOM 1495 NE2 HIS A 95 32.267 -1.331 12.618 1.00 0.00 N ATOM 0 H HIS A 95 27.529 -3.148 11.806 1.00 0.00 H new ATOM 0 HA HIS A 95 29.764 -3.439 9.920 1.00 0.00 H new ATOM 0 HB2 HIS A 95 29.313 -4.118 12.808 1.00 0.00 H new ATOM 0 HB3 HIS A 95 30.431 -5.105 11.888 1.00 0.00 H new ATOM 0 HD2 HIS A 95 30.090 -1.275 12.862 1.00 0.00 H new ATOM 0 HE1 HIS A 95 34.164 -2.183 12.138 1.00 0.00 H new ATOM 0 HE2 HIS A 95 32.539 -0.391 12.906 1.00 0.00 H new ATOM 1504 N HIS A 96 28.607 -5.397 8.858 1.00 0.00 N ATOM 1505 CA HIS A 96 28.232 -6.660 8.245 1.00 0.00 C ATOM 1506 C HIS A 96 29.481 -7.374 7.750 1.00 0.00 C ATOM 1507 O HIS A 96 29.990 -7.001 6.674 1.00 0.00 O ATOM 1508 CB HIS A 96 27.244 -6.435 7.093 1.00 0.00 C ATOM 1509 CG HIS A 96 26.897 -7.684 6.333 1.00 0.00 C ATOM 1510 ND1 HIS A 96 26.179 -8.727 6.877 1.00 0.00 N ATOM 1511 CD2 HIS A 96 27.179 -8.054 5.059 1.00 0.00 C ATOM 1512 CE1 HIS A 96 26.034 -9.681 5.976 1.00 0.00 C ATOM 1513 NE2 HIS A 96 26.631 -9.295 4.867 1.00 0.00 N ATOM 1514 OXT HIS A 96 29.958 -8.288 8.456 1.00 0.00 O ATOM 0 H HIS A 96 28.860 -4.665 8.194 1.00 0.00 H new ATOM 0 HA HIS A 96 27.737 -7.282 8.990 1.00 0.00 H new ATOM 0 HB2 HIS A 96 26.328 -5.999 7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 96 27.668 -5.707 6.401 1.00 0.00 H new ATOM 0 HD2 HIS A 96 27.732 -7.478 4.332 1.00 0.00 H new ATOM 0 HE1 HIS A 96 25.515 -10.617 6.123 1.00 0.00 H new ATOM 0 HE2 HIS A 96 26.678 -9.834 4.003 1.00 0.00 H new TER 1523 HIS A 96