USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 885 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 104 ASN :FLIP amide:sc= -1.74 F(o=-5.1,f=-2.1) USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= -0.355 F(o=-4.5,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 54:sc= 0.501 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.183 K(o=0.18,f=-2.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= -0.228 (180deg=-0.501) USER MOD Single : A 21 GLN : amide:sc= -0.066 K(o=-0.066,f=-1.6!) USER MOD Single : A 25 GLN : amide:sc= -0.232 X(o=-0.23,f=-1.3e-05) USER MOD Single : A 27 ASN : amide:sc= -0.148 K(o=-0.15,f=-1) USER MOD Single : A 31 SER OG : rot 76:sc= 0.967 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 152:sc= -2 (180deg=-3.42!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.34! C(o=-3.3!,f=-4!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -147:sc= -2.19 (180deg=-4.05) USER MOD Single : A 68 SER OG : rot 180:sc= 0.075 USER MOD Single : A 70 LYS NZ :NH3+ -103:sc= -0.631 (180deg=-1.77!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -138:sc= -1.52 (180deg=-3.15!) USER MOD Single : A 86 SER OG : rot -82:sc= 0.696 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.86) USER MOD Single : A 109 SER OG : rot -87:sc= -0.377! USER MOD Single : A 112 SER OG : rot -59:sc= 1.11 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.225 4.841 -20.908 1.00 0.00 N ATOM 2 CA GLY A 1 -7.710 6.094 -20.381 1.00 0.00 C ATOM 3 C GLY A 1 -7.435 7.091 -21.508 1.00 0.00 C ATOM 4 O GLY A 1 -8.281 7.925 -21.825 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.403 4.182 -20.124 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.113 5.018 -21.420 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.528 4.425 -21.558 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.428 6.520 -19.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.792 5.908 -19.823 1.00 0.00 H new ATOM 8 N SER A 2 -6.246 6.972 -22.082 1.00 0.00 N ATOM 9 CA SER A 2 -5.848 7.853 -23.167 1.00 0.00 C ATOM 10 C SER A 2 -6.199 9.301 -22.821 1.00 0.00 C ATOM 11 O SER A 2 -7.218 9.821 -23.273 1.00 0.00 O ATOM 12 CB SER A 2 -6.517 7.444 -24.482 1.00 0.00 C ATOM 13 OG SER A 2 -5.818 7.950 -25.616 1.00 0.00 O ATOM 0 H SER A 2 -5.546 6.279 -21.816 1.00 0.00 H new ATOM 0 HA SER A 2 -4.769 7.769 -23.298 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.565 6.357 -24.541 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.544 7.810 -24.496 1.00 0.00 H new ATOM 0 HG SER A 2 -6.275 7.666 -26.435 1.00 0.00 H new ATOM 19 N SER A 3 -5.335 9.911 -22.023 1.00 0.00 N ATOM 20 CA SER A 3 -5.541 11.289 -21.612 1.00 0.00 C ATOM 21 C SER A 3 -4.347 11.772 -20.785 1.00 0.00 C ATOM 22 O SER A 3 -4.008 11.170 -19.767 1.00 0.00 O ATOM 23 CB SER A 3 -6.836 11.437 -20.810 1.00 0.00 C ATOM 24 OG SER A 3 -7.889 11.989 -21.595 1.00 0.00 O ATOM 0 H SER A 3 -4.491 9.476 -21.650 1.00 0.00 H new ATOM 0 HA SER A 3 -5.628 11.904 -22.508 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.140 10.462 -20.429 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.656 12.075 -19.945 1.00 0.00 H new ATOM 0 HG SER A 3 -7.998 11.462 -22.414 1.00 0.00 H new ATOM 30 N GLY A 4 -3.743 12.854 -21.254 1.00 0.00 N ATOM 31 CA GLY A 4 -2.595 13.425 -20.571 1.00 0.00 C ATOM 32 C GLY A 4 -1.322 12.635 -20.883 1.00 0.00 C ATOM 33 O GLY A 4 -0.603 12.957 -21.828 1.00 0.00 O ATOM 0 H GLY A 4 -4.027 13.350 -22.099 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.466 14.464 -20.875 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.771 13.427 -19.495 1.00 0.00 H new ATOM 37 N SER A 5 -1.083 11.615 -20.072 1.00 0.00 N ATOM 38 CA SER A 5 0.090 10.776 -20.250 1.00 0.00 C ATOM 39 C SER A 5 1.320 11.647 -20.512 1.00 0.00 C ATOM 40 O SER A 5 1.686 11.881 -21.663 1.00 0.00 O ATOM 41 CB SER A 5 -0.112 9.783 -21.397 1.00 0.00 C ATOM 42 OG SER A 5 -0.138 8.435 -20.937 1.00 0.00 O ATOM 0 H SER A 5 -1.682 11.350 -19.290 1.00 0.00 H new ATOM 0 HA SER A 5 0.245 10.205 -19.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.046 10.009 -21.912 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.690 9.902 -22.125 1.00 0.00 H new ATOM 0 HG SER A 5 -0.270 7.832 -21.698 1.00 0.00 H new ATOM 48 N SER A 6 1.926 12.102 -19.425 1.00 0.00 N ATOM 49 CA SER A 6 3.108 12.942 -19.523 1.00 0.00 C ATOM 50 C SER A 6 4.179 12.453 -18.545 1.00 0.00 C ATOM 51 O SER A 6 3.882 11.700 -17.619 1.00 0.00 O ATOM 52 CB SER A 6 2.766 14.407 -19.247 1.00 0.00 C ATOM 53 OG SER A 6 2.201 14.590 -17.952 1.00 0.00 O ATOM 0 H SER A 6 1.621 11.905 -18.472 1.00 0.00 H new ATOM 0 HA SER A 6 3.495 12.873 -20.540 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.668 15.013 -19.338 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.065 14.764 -20.002 1.00 0.00 H new ATOM 0 HG SER A 6 1.999 15.539 -17.815 1.00 0.00 H new ATOM 59 N GLY A 7 5.402 12.902 -18.785 1.00 0.00 N ATOM 60 CA GLY A 7 6.519 12.520 -17.937 1.00 0.00 C ATOM 61 C GLY A 7 7.840 13.042 -18.503 1.00 0.00 C ATOM 62 O GLY A 7 8.669 12.264 -18.974 1.00 0.00 O ATOM 0 H GLY A 7 5.644 13.527 -19.554 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.369 12.914 -16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.560 11.434 -17.851 1.00 0.00 H new ATOM 66 N ASP A 8 7.997 14.357 -18.439 1.00 0.00 N ATOM 67 CA ASP A 8 9.204 14.992 -18.940 1.00 0.00 C ATOM 68 C ASP A 8 9.358 16.368 -18.288 1.00 0.00 C ATOM 69 O ASP A 8 8.368 17.010 -17.944 1.00 0.00 O ATOM 70 CB ASP A 8 9.133 15.192 -20.455 1.00 0.00 C ATOM 71 CG ASP A 8 9.539 13.974 -21.287 1.00 0.00 C ATOM 72 OD1 ASP A 8 10.351 13.178 -20.770 1.00 0.00 O ATOM 73 OD2 ASP A 8 9.027 13.867 -22.423 1.00 0.00 O ATOM 0 H ASP A 8 7.308 14.999 -18.048 1.00 0.00 H new ATOM 0 HA ASP A 8 10.049 14.347 -18.701 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.114 15.473 -20.722 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.776 16.029 -20.726 1.00 0.00 H new ATOM 78 N ASP A 9 10.609 16.779 -18.138 1.00 0.00 N ATOM 79 CA ASP A 9 10.906 18.066 -17.533 1.00 0.00 C ATOM 80 C ASP A 9 10.248 18.141 -16.154 1.00 0.00 C ATOM 81 O ASP A 9 9.036 18.326 -16.050 1.00 0.00 O ATOM 82 CB ASP A 9 10.356 19.213 -18.383 1.00 0.00 C ATOM 83 CG ASP A 9 11.341 20.356 -18.642 1.00 0.00 C ATOM 84 OD1 ASP A 9 11.612 21.101 -17.676 1.00 0.00 O ATOM 85 OD2 ASP A 9 11.800 20.458 -19.800 1.00 0.00 O ATOM 0 H ASP A 9 11.428 16.243 -18.425 1.00 0.00 H new ATOM 0 HA ASP A 9 11.989 18.161 -17.456 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.029 18.811 -19.342 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.473 19.619 -17.890 1.00 0.00 H new ATOM 90 N ASN A 10 11.075 17.995 -15.130 1.00 0.00 N ATOM 91 CA ASN A 10 10.589 18.044 -13.762 1.00 0.00 C ATOM 92 C ASN A 10 10.013 19.433 -13.479 1.00 0.00 C ATOM 93 O ASN A 10 9.150 19.588 -12.617 1.00 0.00 O ATOM 94 CB ASN A 10 11.721 17.789 -12.765 1.00 0.00 C ATOM 95 CG ASN A 10 12.471 16.500 -13.105 1.00 0.00 C ATOM 96 OD1 ASN A 10 13.126 16.383 -14.128 1.00 0.00 O ATOM 97 ND2 ASN A 10 12.340 15.541 -12.192 1.00 0.00 N ATOM 0 H ASN A 10 12.079 17.843 -15.220 1.00 0.00 H new ATOM 0 HA ASN A 10 9.828 17.272 -13.647 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.414 18.630 -12.773 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.314 17.722 -11.756 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.803 14.642 -12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.777 15.705 -11.358 1.00 0.00 H new ATOM 104 N GLU A 11 10.515 20.409 -14.222 1.00 0.00 N ATOM 105 CA GLU A 11 10.062 21.780 -14.062 1.00 0.00 C ATOM 106 C GLU A 11 8.574 21.890 -14.401 1.00 0.00 C ATOM 107 O GLU A 11 7.785 22.382 -13.595 1.00 0.00 O ATOM 108 CB GLU A 11 10.892 22.736 -14.922 1.00 0.00 C ATOM 109 CG GLU A 11 10.174 24.075 -15.102 1.00 0.00 C ATOM 110 CD GLU A 11 11.167 25.187 -15.446 1.00 0.00 C ATOM 111 OE1 GLU A 11 12.015 25.481 -14.576 1.00 0.00 O ATOM 112 OE2 GLU A 11 11.056 25.718 -16.573 1.00 0.00 O ATOM 0 H GLU A 11 11.231 20.277 -14.936 1.00 0.00 H new ATOM 0 HA GLU A 11 10.200 22.068 -13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.863 22.900 -14.456 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.078 22.285 -15.897 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.430 23.989 -15.894 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.639 24.331 -14.188 1.00 0.00 H new ATOM 119 N ARG A 12 8.235 21.425 -15.594 1.00 0.00 N ATOM 120 CA ARG A 12 6.856 21.465 -16.049 1.00 0.00 C ATOM 121 C ARG A 12 5.971 20.610 -15.139 1.00 0.00 C ATOM 122 O ARG A 12 4.871 21.021 -14.773 1.00 0.00 O ATOM 123 CB ARG A 12 6.735 20.958 -17.488 1.00 0.00 C ATOM 124 CG ARG A 12 7.484 21.875 -18.457 1.00 0.00 C ATOM 125 CD ARG A 12 6.507 22.652 -19.342 1.00 0.00 C ATOM 126 NE ARG A 12 7.183 23.079 -20.587 1.00 0.00 N ATOM 127 CZ ARG A 12 6.551 23.625 -21.635 1.00 0.00 C ATOM 128 NH1 ARG A 12 5.224 23.813 -21.595 1.00 0.00 N ATOM 129 NH2 ARG A 12 7.245 23.983 -22.724 1.00 0.00 N ATOM 0 H ARG A 12 8.892 21.018 -16.260 1.00 0.00 H new ATOM 0 HA ARG A 12 6.526 22.503 -16.012 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.135 19.946 -17.556 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.684 20.904 -17.771 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.106 22.573 -17.896 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.153 21.282 -19.081 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.646 22.029 -19.581 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.131 23.523 -18.805 1.00 0.00 H new ATOM 0 HE ARG A 12 8.193 22.950 -20.652 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.695 23.540 -20.767 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.744 24.229 -22.393 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.254 23.840 -22.755 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.764 24.399 -23.522 1.00 0.00 H new ATOM 143 N LEU A 13 6.486 19.438 -14.799 1.00 0.00 N ATOM 144 CA LEU A 13 5.756 18.522 -13.938 1.00 0.00 C ATOM 145 C LEU A 13 5.369 19.243 -12.646 1.00 0.00 C ATOM 146 O LEU A 13 4.437 20.047 -12.635 1.00 0.00 O ATOM 147 CB LEU A 13 6.564 17.243 -13.710 1.00 0.00 C ATOM 148 CG LEU A 13 6.839 16.392 -14.952 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.933 15.358 -14.678 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.553 15.743 -15.467 1.00 0.00 C ATOM 0 H LEU A 13 7.399 19.101 -15.104 1.00 0.00 H new ATOM 0 HA LEU A 13 4.829 18.205 -14.417 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.520 17.516 -13.262 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.035 16.628 -12.982 1.00 0.00 H new ATOM 0 HG LEU A 13 7.207 17.048 -15.741 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.108 14.767 -15.577 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.853 15.868 -14.394 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.618 14.701 -13.868 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.776 15.144 -16.350 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.132 15.103 -14.691 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.833 16.519 -15.727 1.00 0.00 H new ATOM 162 N SER A 14 6.102 18.930 -11.588 1.00 0.00 N ATOM 163 CA SER A 14 5.847 19.538 -10.294 1.00 0.00 C ATOM 164 C SER A 14 4.659 18.850 -9.617 1.00 0.00 C ATOM 165 O SER A 14 4.833 18.123 -8.640 1.00 0.00 O ATOM 166 CB SER A 14 5.582 21.039 -10.433 1.00 0.00 C ATOM 167 OG SER A 14 5.781 21.732 -9.204 1.00 0.00 O ATOM 0 H SER A 14 6.873 18.263 -11.601 1.00 0.00 H new ATOM 0 HA SER A 14 6.735 19.409 -9.675 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.242 21.455 -11.195 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.560 21.196 -10.777 1.00 0.00 H new ATOM 0 HG SER A 14 5.604 22.687 -9.335 1.00 0.00 H new ATOM 173 N LYS A 15 3.480 19.103 -10.164 1.00 0.00 N ATOM 174 CA LYS A 15 2.264 18.517 -9.626 1.00 0.00 C ATOM 175 C LYS A 15 2.200 17.039 -10.015 1.00 0.00 C ATOM 176 O LYS A 15 1.617 16.229 -9.297 1.00 0.00 O ATOM 177 CB LYS A 15 1.040 19.323 -10.066 1.00 0.00 C ATOM 178 CG LYS A 15 -0.169 19.012 -9.181 1.00 0.00 C ATOM 179 CD LYS A 15 -1.094 17.995 -9.854 1.00 0.00 C ATOM 180 CE LYS A 15 -2.559 18.416 -9.723 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.452 17.253 -9.918 1.00 0.00 N ATOM 0 H LYS A 15 3.340 19.706 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 15 2.270 18.560 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.265 20.388 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.803 19.093 -11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.169 18.622 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.720 19.930 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.832 17.901 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.952 17.014 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.731 18.853 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.789 19.186 -10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.442 17.557 -9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.299 16.853 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.243 16.531 -9.200 1.00 0.00 H new ATOM 195 N VAL A 16 2.807 16.733 -11.153 1.00 0.00 N ATOM 196 CA VAL A 16 2.826 15.366 -11.646 1.00 0.00 C ATOM 197 C VAL A 16 3.899 14.573 -10.898 1.00 0.00 C ATOM 198 O VAL A 16 3.626 13.495 -10.372 1.00 0.00 O ATOM 199 CB VAL A 16 3.027 15.361 -13.163 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.868 13.949 -13.732 1.00 0.00 C ATOM 201 CG2 VAL A 16 2.069 16.338 -13.847 1.00 0.00 C ATOM 0 H VAL A 16 3.289 17.408 -11.747 1.00 0.00 H new ATOM 0 HA VAL A 16 1.870 14.878 -11.456 1.00 0.00 H new ATOM 0 HB VAL A 16 4.045 15.693 -13.367 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.016 13.973 -14.812 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.608 13.289 -13.279 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.867 13.578 -13.511 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.233 16.314 -14.924 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.040 16.051 -13.630 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.250 17.346 -13.474 1.00 0.00 H new ATOM 211 N GLU A 17 5.098 15.138 -10.874 1.00 0.00 N ATOM 212 CA GLU A 17 6.213 14.497 -10.199 1.00 0.00 C ATOM 213 C GLU A 17 5.807 14.074 -8.786 1.00 0.00 C ATOM 214 O GLU A 17 6.379 13.141 -8.225 1.00 0.00 O ATOM 215 CB GLU A 17 7.436 15.416 -10.166 1.00 0.00 C ATOM 216 CG GLU A 17 8.514 14.931 -11.137 1.00 0.00 C ATOM 217 CD GLU A 17 9.739 14.413 -10.381 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.350 15.231 -9.661 1.00 0.00 O ATOM 219 OE2 GLU A 17 10.037 13.209 -10.541 1.00 0.00 O ATOM 0 H GLU A 17 5.321 16.032 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 17 6.486 13.603 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.139 16.432 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.842 15.451 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.110 14.140 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.808 15.747 -11.797 1.00 0.00 H new ATOM 226 N LYS A 18 4.822 14.780 -8.252 1.00 0.00 N ATOM 227 CA LYS A 18 4.332 14.490 -6.915 1.00 0.00 C ATOM 228 C LYS A 18 3.515 13.196 -6.946 1.00 0.00 C ATOM 229 O LYS A 18 3.748 12.292 -6.145 1.00 0.00 O ATOM 230 CB LYS A 18 3.564 15.688 -6.353 1.00 0.00 C ATOM 231 CG LYS A 18 4.410 16.451 -5.331 1.00 0.00 C ATOM 232 CD LYS A 18 4.177 15.916 -3.917 1.00 0.00 C ATOM 233 CE LYS A 18 4.656 14.468 -3.793 1.00 0.00 C ATOM 234 NZ LYS A 18 6.132 14.402 -3.878 1.00 0.00 N ATOM 0 H LYS A 18 4.349 15.553 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 18 5.165 14.326 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.279 16.356 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.642 15.346 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.465 16.361 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.162 17.512 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.705 16.540 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.116 15.974 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.321 14.048 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.213 13.863 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.407 13.756 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.511 15.351 -4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.516 14.052 -2.977 1.00 0.00 H new ATOM 248 N ALA A 19 2.575 13.150 -7.878 1.00 0.00 N ATOM 249 CA ALA A 19 1.722 11.982 -8.023 1.00 0.00 C ATOM 250 C ALA A 19 2.593 10.746 -8.257 1.00 0.00 C ATOM 251 O ALA A 19 2.438 9.735 -7.574 1.00 0.00 O ATOM 252 CB ALA A 19 0.725 12.216 -9.160 1.00 0.00 C ATOM 0 H ALA A 19 2.385 13.902 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 19 1.146 11.812 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.085 11.340 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.111 13.088 -8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.267 12.387 -10.090 1.00 0.00 H new ATOM 258 N ARG A 20 3.491 10.868 -9.224 1.00 0.00 N ATOM 259 CA ARG A 20 4.386 9.774 -9.557 1.00 0.00 C ATOM 260 C ARG A 20 5.042 9.221 -8.289 1.00 0.00 C ATOM 261 O ARG A 20 4.834 8.062 -7.934 1.00 0.00 O ATOM 262 CB ARG A 20 5.476 10.229 -10.529 1.00 0.00 C ATOM 263 CG ARG A 20 5.538 9.312 -11.752 1.00 0.00 C ATOM 264 CD ARG A 20 6.986 9.071 -12.184 1.00 0.00 C ATOM 265 NE ARG A 20 7.043 7.975 -13.176 1.00 0.00 N ATOM 266 CZ ARG A 20 8.142 7.254 -13.438 1.00 0.00 C ATOM 267 NH1 ARG A 20 9.282 7.509 -12.782 1.00 0.00 N ATOM 268 NH2 ARG A 20 8.101 6.278 -14.355 1.00 0.00 N ATOM 0 H ARG A 20 3.617 11.709 -9.788 1.00 0.00 H new ATOM 0 HA ARG A 20 3.793 8.994 -10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.280 11.253 -10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.441 10.232 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.060 8.360 -11.522 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.979 9.758 -12.574 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.403 9.982 -12.613 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.596 8.819 -11.316 1.00 0.00 H new ATOM 0 HE ARG A 20 6.192 7.754 -13.693 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.313 8.252 -12.083 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.119 6.960 -12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.233 6.083 -14.854 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.938 5.730 -14.554 1.00 0.00 H new ATOM 282 N GLN A 21 5.820 10.077 -7.643 1.00 0.00 N ATOM 283 CA GLN A 21 6.508 9.688 -6.423 1.00 0.00 C ATOM 284 C GLN A 21 5.536 9.002 -5.461 1.00 0.00 C ATOM 285 O GLN A 21 5.803 7.901 -4.984 1.00 0.00 O ATOM 286 CB GLN A 21 7.173 10.896 -5.761 1.00 0.00 C ATOM 287 CG GLN A 21 8.377 11.375 -6.576 1.00 0.00 C ATOM 288 CD GLN A 21 9.273 12.293 -5.743 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.261 12.275 -4.523 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.049 13.095 -6.467 1.00 0.00 N ATOM 0 H GLN A 21 5.989 11.038 -7.941 1.00 0.00 H new ATOM 0 HA GLN A 21 7.294 8.978 -6.682 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.450 11.706 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.493 10.632 -4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.952 10.516 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.032 11.905 -7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.010 13.059 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.683 13.746 -6.004 1.00 0.00 H new ATOM 299 N LEU A 22 4.428 9.682 -5.206 1.00 0.00 N ATOM 300 CA LEU A 22 3.414 9.151 -4.310 1.00 0.00 C ATOM 301 C LEU A 22 3.008 7.753 -4.778 1.00 0.00 C ATOM 302 O LEU A 22 3.182 6.776 -4.051 1.00 0.00 O ATOM 303 CB LEU A 22 2.241 10.126 -4.191 1.00 0.00 C ATOM 304 CG LEU A 22 2.481 11.364 -3.325 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.294 12.326 -3.402 1.00 0.00 C ATOM 306 CD2 LEU A 22 2.807 10.969 -1.883 1.00 0.00 C ATOM 0 H LEU A 22 4.210 10.596 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 22 3.814 9.046 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.966 10.456 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.385 9.585 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 22 3.349 11.893 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.491 13.197 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.150 12.645 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.394 11.822 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.973 11.867 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.974 10.405 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.706 10.353 -1.869 1.00 0.00 H new ATOM 318 N ARG A 23 2.473 7.701 -5.989 1.00 0.00 N ATOM 319 CA ARG A 23 2.040 6.438 -6.562 1.00 0.00 C ATOM 320 C ARG A 23 3.025 5.325 -6.199 1.00 0.00 C ATOM 321 O ARG A 23 2.641 4.323 -5.597 1.00 0.00 O ATOM 322 CB ARG A 23 1.928 6.534 -8.085 1.00 0.00 C ATOM 323 CG ARG A 23 0.698 7.346 -8.494 1.00 0.00 C ATOM 324 CD ARG A 23 0.095 6.810 -9.795 1.00 0.00 C ATOM 325 NE ARG A 23 0.190 7.837 -10.857 1.00 0.00 N ATOM 326 CZ ARG A 23 -0.312 7.689 -12.091 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.946 6.558 -12.425 1.00 0.00 N ATOM 328 NH2 ARG A 23 -0.179 8.674 -12.990 1.00 0.00 N ATOM 0 H ARG A 23 2.330 8.513 -6.589 1.00 0.00 H new ATOM 0 HA ARG A 23 1.057 6.207 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.827 6.999 -8.491 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.866 5.533 -8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.048 7.308 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.975 8.393 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.620 5.906 -10.104 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.948 6.535 -9.636 1.00 0.00 H new ATOM 0 HE ARG A 23 0.667 8.711 -10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.047 5.809 -11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.328 6.446 -13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.304 9.535 -12.735 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.561 8.562 -13.929 1.00 0.00 H new ATOM 342 N GLU A 24 4.276 5.537 -6.581 1.00 0.00 N ATOM 343 CA GLU A 24 5.318 4.564 -6.303 1.00 0.00 C ATOM 344 C GLU A 24 5.319 4.196 -4.818 1.00 0.00 C ATOM 345 O GLU A 24 5.178 3.027 -4.465 1.00 0.00 O ATOM 346 CB GLU A 24 6.688 5.089 -6.739 1.00 0.00 C ATOM 347 CG GLU A 24 6.713 5.377 -8.241 1.00 0.00 C ATOM 348 CD GLU A 24 6.015 4.263 -9.024 1.00 0.00 C ATOM 349 OE1 GLU A 24 6.532 3.126 -8.978 1.00 0.00 O ATOM 350 OE2 GLU A 24 4.979 4.574 -9.651 1.00 0.00 O ATOM 0 H GLU A 24 4.591 6.368 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 24 5.110 3.663 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.925 5.998 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.457 4.357 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.222 6.329 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.745 5.473 -8.579 1.00 0.00 H new ATOM 357 N GLN A 25 5.479 5.217 -3.988 1.00 0.00 N ATOM 358 CA GLN A 25 5.500 5.015 -2.550 1.00 0.00 C ATOM 359 C GLN A 25 4.302 4.169 -2.115 1.00 0.00 C ATOM 360 O GLN A 25 4.473 3.092 -1.544 1.00 0.00 O ATOM 361 CB GLN A 25 5.523 6.354 -1.809 1.00 0.00 C ATOM 362 CG GLN A 25 6.947 6.723 -1.388 1.00 0.00 C ATOM 363 CD GLN A 25 6.944 7.510 -0.076 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.116 6.968 1.004 1.00 0.00 O ATOM 365 NE2 GLN A 25 6.740 8.815 -0.229 1.00 0.00 N ATOM 0 H GLN A 25 5.595 6.186 -4.285 1.00 0.00 H new ATOM 0 HA GLN A 25 6.412 4.478 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.115 7.136 -2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.883 6.298 -0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.542 5.817 -1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.419 7.316 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.603 9.204 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.721 9.427 0.587 1.00 0.00 H new ATOM 374 N VAL A 26 3.117 4.687 -2.401 1.00 0.00 N ATOM 375 CA VAL A 26 1.891 3.992 -2.047 1.00 0.00 C ATOM 376 C VAL A 26 2.002 2.525 -2.467 1.00 0.00 C ATOM 377 O VAL A 26 1.931 1.628 -1.628 1.00 0.00 O ATOM 378 CB VAL A 26 0.688 4.703 -2.670 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.620 4.014 -2.276 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.666 6.183 -2.284 1.00 0.00 C ATOM 0 H VAL A 26 2.980 5.580 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 26 1.739 4.010 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 26 0.786 4.641 -3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.459 4.539 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.606 2.981 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.728 4.030 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.199 6.665 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.603 6.275 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.578 6.665 -2.637 1.00 0.00 H new ATOM 390 N ASN A 27 2.173 2.325 -3.765 1.00 0.00 N ATOM 391 CA ASN A 27 2.295 0.983 -4.307 1.00 0.00 C ATOM 392 C ASN A 27 3.161 0.136 -3.371 1.00 0.00 C ATOM 393 O ASN A 27 2.662 -0.775 -2.713 1.00 0.00 O ATOM 394 CB ASN A 27 2.964 1.002 -5.682 1.00 0.00 C ATOM 395 CG ASN A 27 3.191 -0.420 -6.202 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.550 -1.370 -5.784 1.00 0.00 O ATOM 397 ND2 ASN A 27 4.135 -0.511 -7.134 1.00 0.00 N ATOM 0 H ASN A 27 2.230 3.071 -4.458 1.00 0.00 H new ATOM 0 HA ASN A 27 1.293 0.565 -4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.342 1.555 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.917 1.527 -5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.361 -1.417 -7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.633 0.325 -7.438 1.00 0.00 H new ATOM 404 N ASP A 28 4.443 0.468 -3.343 1.00 0.00 N ATOM 405 CA ASP A 28 5.383 -0.250 -2.499 1.00 0.00 C ATOM 406 C ASP A 28 4.817 -0.349 -1.081 1.00 0.00 C ATOM 407 O ASP A 28 4.732 -1.439 -0.517 1.00 0.00 O ATOM 408 CB ASP A 28 6.725 0.482 -2.422 1.00 0.00 C ATOM 409 CG ASP A 28 7.956 -0.425 -2.397 1.00 0.00 C ATOM 410 OD1 ASP A 28 7.753 -1.655 -2.297 1.00 0.00 O ATOM 411 OD2 ASP A 28 9.073 0.131 -2.478 1.00 0.00 O ATOM 0 H ASP A 28 4.853 1.224 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 28 5.536 -1.239 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.805 1.154 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.732 1.103 -1.526 1.00 0.00 H new ATOM 416 N LEU A 29 4.444 0.804 -0.545 1.00 0.00 N ATOM 417 CA LEU A 29 3.887 0.861 0.796 1.00 0.00 C ATOM 418 C LEU A 29 2.939 -0.322 1.000 1.00 0.00 C ATOM 419 O LEU A 29 3.192 -1.188 1.836 1.00 0.00 O ATOM 420 CB LEU A 29 3.236 2.222 1.049 1.00 0.00 C ATOM 421 CG LEU A 29 2.018 2.222 1.974 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.405 1.794 3.391 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.316 3.581 1.957 1.00 0.00 C ATOM 0 H LEU A 29 4.517 1.706 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 29 4.677 0.769 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.988 2.889 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.938 2.644 0.089 1.00 0.00 H new ATOM 0 HG LEU A 29 1.305 1.487 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.521 1.803 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.824 0.788 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.147 2.486 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.454 3.553 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.009 4.353 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.985 3.807 0.943 1.00 0.00 H new ATOM 435 N PHE A 30 1.866 -0.320 0.223 1.00 0.00 N ATOM 436 CA PHE A 30 0.878 -1.382 0.308 1.00 0.00 C ATOM 437 C PHE A 30 1.533 -2.755 0.141 1.00 0.00 C ATOM 438 O PHE A 30 1.281 -3.667 0.927 1.00 0.00 O ATOM 439 CB PHE A 30 -0.115 -1.162 -0.834 1.00 0.00 C ATOM 440 CG PHE A 30 -1.093 -0.010 -0.595 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.653 0.163 0.632 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.402 0.841 -1.610 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.561 1.232 0.854 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.310 1.910 -1.388 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.870 2.083 -0.161 1.00 0.00 C ATOM 0 H PHE A 30 1.659 0.401 -0.469 1.00 0.00 H new ATOM 0 HA PHE A 30 0.389 -1.358 1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.440 -0.969 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.682 -2.080 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.407 -0.513 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.957 0.704 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.006 1.369 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.556 2.586 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.560 2.896 0.008 1.00 0.00 H new ATOM 455 N SER A 31 2.362 -2.859 -0.887 1.00 0.00 N ATOM 456 CA SER A 31 3.055 -4.104 -1.167 1.00 0.00 C ATOM 457 C SER A 31 3.822 -4.567 0.074 1.00 0.00 C ATOM 458 O SER A 31 3.595 -5.668 0.573 1.00 0.00 O ATOM 459 CB SER A 31 4.010 -3.949 -2.353 1.00 0.00 C ATOM 460 OG SER A 31 3.421 -3.208 -3.418 1.00 0.00 O ATOM 0 H SER A 31 2.569 -2.100 -1.537 1.00 0.00 H new ATOM 0 HA SER A 31 2.312 -4.857 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.920 -3.448 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.302 -4.935 -2.715 1.00 0.00 H new ATOM 0 HG SER A 31 3.409 -2.256 -3.187 1.00 0.00 H new ATOM 466 N ARG A 32 4.713 -3.703 0.536 1.00 0.00 N ATOM 467 CA ARG A 32 5.514 -4.009 1.709 1.00 0.00 C ATOM 468 C ARG A 32 4.616 -4.472 2.859 1.00 0.00 C ATOM 469 O ARG A 32 4.760 -5.590 3.352 1.00 0.00 O ATOM 470 CB ARG A 32 6.320 -2.789 2.160 1.00 0.00 C ATOM 471 CG ARG A 32 7.820 -3.025 1.977 1.00 0.00 C ATOM 472 CD ARG A 32 8.602 -2.571 3.211 1.00 0.00 C ATOM 473 NE ARG A 32 9.926 -3.230 3.242 1.00 0.00 N ATOM 474 CZ ARG A 32 10.995 -2.801 2.558 1.00 0.00 C ATOM 475 NH1 ARG A 32 10.902 -1.710 1.786 1.00 0.00 N ATOM 476 NH2 ARG A 32 12.158 -3.462 2.647 1.00 0.00 N ATOM 0 H ARG A 32 4.898 -2.791 0.119 1.00 0.00 H new ATOM 0 HA ARG A 32 6.205 -4.807 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.013 -1.914 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.107 -2.575 3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.005 -4.083 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.172 -2.483 1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.726 -1.488 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.044 -2.815 4.115 1.00 0.00 H new ATOM 0 HE ARG A 32 10.032 -4.063 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.018 -1.206 1.719 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.716 -1.383 1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.229 -4.292 3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.972 -3.135 2.126 1.00 0.00 H new ATOM 490 N LYS A 33 3.710 -3.589 3.252 1.00 0.00 N ATOM 491 CA LYS A 33 2.790 -3.893 4.334 1.00 0.00 C ATOM 492 C LYS A 33 2.113 -5.238 4.060 1.00 0.00 C ATOM 493 O LYS A 33 2.039 -6.091 4.943 1.00 0.00 O ATOM 494 CB LYS A 33 1.805 -2.740 4.540 1.00 0.00 C ATOM 495 CG LYS A 33 2.522 -1.493 5.061 1.00 0.00 C ATOM 496 CD LYS A 33 2.850 -1.630 6.549 1.00 0.00 C ATOM 497 CE LYS A 33 3.896 -0.600 6.978 1.00 0.00 C ATOM 498 NZ LYS A 33 4.931 -1.233 7.825 1.00 0.00 N ATOM 0 H LYS A 33 3.594 -2.663 2.840 1.00 0.00 H new ATOM 0 HA LYS A 33 3.330 -3.993 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.306 -2.510 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.031 -3.040 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.440 -1.335 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.895 -0.616 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.943 -1.499 7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.220 -2.635 6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.360 -0.156 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.414 0.209 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.633 -0.519 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.486 -1.636 8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.403 -1.990 7.290 1.00 0.00 H new ATOM 512 N PHE A 34 1.636 -5.385 2.833 1.00 0.00 N ATOM 513 CA PHE A 34 0.969 -6.611 2.431 1.00 0.00 C ATOM 514 C PHE A 34 1.909 -7.812 2.550 1.00 0.00 C ATOM 515 O PHE A 34 1.457 -8.952 2.642 1.00 0.00 O ATOM 516 CB PHE A 34 0.562 -6.440 0.966 1.00 0.00 C ATOM 517 CG PHE A 34 0.064 -7.726 0.304 1.00 0.00 C ATOM 518 CD1 PHE A 34 -1.109 -8.287 0.705 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.793 -8.308 -0.685 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.571 -9.481 0.090 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.331 -9.502 -1.299 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.842 -10.063 -0.899 1.00 0.00 C ATOM 0 H PHE A 34 1.698 -4.675 2.104 1.00 0.00 H new ATOM 0 HA PHE A 34 0.108 -6.793 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.221 -5.684 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.416 -6.062 0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.688 -7.825 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.724 -7.862 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.502 -9.927 0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.911 -9.965 -2.084 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.194 -10.970 -1.367 1.00 0.00 H new ATOM 532 N GLY A 35 3.200 -7.514 2.544 1.00 0.00 N ATOM 533 CA GLY A 35 4.209 -8.555 2.649 1.00 0.00 C ATOM 534 C GLY A 35 4.056 -9.336 3.957 1.00 0.00 C ATOM 535 O GLY A 35 3.781 -10.534 3.940 1.00 0.00 O ATOM 0 H GLY A 35 3.571 -6.567 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.124 -9.236 1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.203 -8.110 2.601 1.00 0.00 H new ATOM 539 N GLU A 36 4.241 -8.624 5.059 1.00 0.00 N ATOM 540 CA GLU A 36 4.128 -9.234 6.372 1.00 0.00 C ATOM 541 C GLU A 36 2.840 -10.055 6.466 1.00 0.00 C ATOM 542 O GLU A 36 2.810 -11.097 7.120 1.00 0.00 O ATOM 543 CB GLU A 36 4.185 -8.176 7.476 1.00 0.00 C ATOM 544 CG GLU A 36 3.308 -6.972 7.127 1.00 0.00 C ATOM 545 CD GLU A 36 3.121 -6.060 8.341 1.00 0.00 C ATOM 546 OE1 GLU A 36 4.144 -5.509 8.801 1.00 0.00 O ATOM 547 OE2 GLU A 36 1.958 -5.934 8.783 1.00 0.00 O ATOM 0 H GLU A 36 4.469 -7.630 5.069 1.00 0.00 H new ATOM 0 HA GLU A 36 4.976 -9.905 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.853 -8.611 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.215 -7.851 7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.764 -6.410 6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.336 -7.316 6.773 1.00 0.00 H new ATOM 554 N ALA A 37 1.808 -9.555 5.803 1.00 0.00 N ATOM 555 CA ALA A 37 0.520 -10.229 5.804 1.00 0.00 C ATOM 556 C ALA A 37 0.698 -11.658 5.286 1.00 0.00 C ATOM 557 O ALA A 37 -0.138 -12.524 5.544 1.00 0.00 O ATOM 558 CB ALA A 37 -0.477 -9.426 4.968 1.00 0.00 C ATOM 0 H ALA A 37 1.837 -8.691 5.261 1.00 0.00 H new ATOM 0 HA ALA A 37 0.120 -10.292 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.443 -9.931 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.589 -8.429 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.111 -9.344 3.945 1.00 0.00 H new ATOM 564 N ILE A 38 1.790 -11.861 4.565 1.00 0.00 N ATOM 565 CA ILE A 38 2.088 -13.170 4.009 1.00 0.00 C ATOM 566 C ILE A 38 3.442 -13.648 4.538 1.00 0.00 C ATOM 567 O ILE A 38 4.054 -14.546 3.963 1.00 0.00 O ATOM 568 CB ILE A 38 2.001 -13.136 2.482 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.641 -11.862 1.925 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.555 -13.304 2.011 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.388 -11.734 0.422 1.00 0.00 C ATOM 0 H ILE A 38 2.480 -11.141 4.353 1.00 0.00 H new ATOM 0 HA ILE A 38 1.344 -13.899 4.331 1.00 0.00 H new ATOM 0 HB ILE A 38 2.568 -13.980 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.236 -10.992 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.714 -11.876 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.522 -13.276 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.167 -14.260 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.055 -12.495 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.853 -10.821 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.816 -12.594 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.315 -11.696 0.236 1.00 0.00 H new ATOM 583 N GLY A 39 3.869 -13.027 5.627 1.00 0.00 N ATOM 584 CA GLY A 39 5.139 -13.378 6.240 1.00 0.00 C ATOM 585 C GLY A 39 6.268 -13.366 5.207 1.00 0.00 C ATOM 586 O GLY A 39 7.319 -13.967 5.423 1.00 0.00 O ATOM 0 H GLY A 39 3.358 -12.282 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.367 -12.675 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.067 -14.366 6.694 1.00 0.00 H new ATOM 590 N MET A 40 6.012 -12.674 4.106 1.00 0.00 N ATOM 591 CA MET A 40 6.993 -12.575 3.039 1.00 0.00 C ATOM 592 C MET A 40 8.085 -11.562 3.391 1.00 0.00 C ATOM 593 O MET A 40 7.806 -10.528 3.996 1.00 0.00 O ATOM 594 CB MET A 40 6.299 -12.149 1.744 1.00 0.00 C ATOM 595 CG MET A 40 5.425 -13.278 1.194 1.00 0.00 C ATOM 596 SD MET A 40 6.443 -14.491 0.371 1.00 0.00 S ATOM 597 CE MET A 40 5.658 -14.518 -1.232 1.00 0.00 C ATOM 0 H MET A 40 5.139 -12.177 3.930 1.00 0.00 H new ATOM 0 HA MET A 40 7.458 -13.552 2.907 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.686 -11.267 1.929 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.046 -11.868 1.002 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.870 -13.748 2.006 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.691 -12.874 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.389 -14.797 -1.991 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.845 -15.244 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.259 -13.529 -1.459 1.00 0.00 H new ATOM 607 N GLY A 41 9.305 -11.894 2.996 1.00 0.00 N ATOM 608 CA GLY A 41 10.440 -11.027 3.261 1.00 0.00 C ATOM 609 C GLY A 41 10.624 -10.005 2.137 1.00 0.00 C ATOM 610 O GLY A 41 11.751 -9.682 1.766 1.00 0.00 O ATOM 0 H GLY A 41 9.532 -12.752 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.293 -10.508 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.344 -11.627 3.363 1.00 0.00 H new ATOM 614 N PHE A 42 9.499 -9.526 1.626 1.00 0.00 N ATOM 615 CA PHE A 42 9.523 -8.548 0.552 1.00 0.00 C ATOM 616 C PHE A 42 8.109 -8.065 0.220 1.00 0.00 C ATOM 617 O PHE A 42 7.127 -8.696 0.607 1.00 0.00 O ATOM 618 CB PHE A 42 10.112 -9.246 -0.675 1.00 0.00 C ATOM 619 CG PHE A 42 9.604 -10.674 -0.883 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.277 -10.903 -1.075 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.479 -11.715 -0.876 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.805 -12.228 -1.267 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.008 -13.040 -1.069 1.00 0.00 C ATOM 624 CZ PHE A 42 8.681 -13.269 -1.261 1.00 0.00 C ATOM 0 H PHE A 42 8.566 -9.797 1.936 1.00 0.00 H new ATOM 0 HA PHE A 42 10.114 -7.682 0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.880 -8.656 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.198 -9.268 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.582 -10.076 -1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.533 -11.533 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.751 -12.410 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.703 -13.866 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.323 -14.277 -1.409 1.00 0.00 H new ATOM 634 N PRO A 43 8.050 -6.920 -0.512 1.00 0.00 N ATOM 635 CA PRO A 43 6.774 -6.345 -0.901 1.00 0.00 C ATOM 636 C PRO A 43 6.135 -7.146 -2.037 1.00 0.00 C ATOM 637 O PRO A 43 6.741 -7.324 -3.093 1.00 0.00 O ATOM 638 CB PRO A 43 7.091 -4.911 -1.290 1.00 0.00 C ATOM 639 CG PRO A 43 8.588 -4.870 -1.550 1.00 0.00 C ATOM 640 CD PRO A 43 9.193 -6.146 -0.988 1.00 0.00 C ATOM 0 HA PRO A 43 6.038 -6.372 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.532 -4.615 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.814 -4.220 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.788 -4.791 -2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.034 -3.995 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.749 -6.690 -1.751 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.890 -5.930 -0.178 1.00 0.00 H new ATOM 648 N VAL A 44 4.919 -7.607 -1.783 1.00 0.00 N ATOM 649 CA VAL A 44 4.192 -8.385 -2.771 1.00 0.00 C ATOM 650 C VAL A 44 3.069 -7.530 -3.361 1.00 0.00 C ATOM 651 O VAL A 44 2.628 -6.564 -2.740 1.00 0.00 O ATOM 652 CB VAL A 44 3.686 -9.686 -2.145 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.136 -10.632 -3.215 1.00 0.00 C ATOM 654 CG2 VAL A 44 4.787 -10.364 -1.327 1.00 0.00 C ATOM 0 H VAL A 44 4.419 -7.456 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 44 4.850 -8.670 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 44 2.870 -9.437 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.783 -11.549 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.309 -10.150 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.924 -10.871 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.402 -11.287 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.633 -10.594 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.112 -9.696 -0.530 1.00 0.00 H new ATOM 664 N LYS A 45 2.637 -7.916 -4.552 1.00 0.00 N ATOM 665 CA LYS A 45 1.574 -7.196 -5.233 1.00 0.00 C ATOM 666 C LYS A 45 0.374 -7.059 -4.293 1.00 0.00 C ATOM 667 O LYS A 45 0.201 -7.865 -3.380 1.00 0.00 O ATOM 668 CB LYS A 45 1.238 -7.870 -6.565 1.00 0.00 C ATOM 669 CG LYS A 45 0.216 -8.992 -6.369 1.00 0.00 C ATOM 670 CD LYS A 45 0.539 -10.190 -7.264 1.00 0.00 C ATOM 671 CE LYS A 45 -0.427 -11.347 -7.002 1.00 0.00 C ATOM 672 NZ LYS A 45 -0.465 -12.264 -8.164 1.00 0.00 N ATOM 0 H LYS A 45 3.004 -8.719 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 45 1.899 -6.187 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.843 -7.131 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.146 -8.274 -7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.210 -9.305 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.784 -8.622 -6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.480 -9.893 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.563 -10.518 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.117 -11.893 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.426 -10.957 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.125 -13.044 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.782 -11.744 -9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.486 -12.650 -8.333 1.00 0.00 H new ATOM 686 N VAL A 46 -0.423 -6.032 -4.548 1.00 0.00 N ATOM 687 CA VAL A 46 -1.601 -5.780 -3.736 1.00 0.00 C ATOM 688 C VAL A 46 -2.841 -5.774 -4.633 1.00 0.00 C ATOM 689 O VAL A 46 -3.030 -4.858 -5.432 1.00 0.00 O ATOM 690 CB VAL A 46 -1.426 -4.479 -2.950 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.747 -4.038 -2.318 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.331 -4.621 -1.891 1.00 0.00 C ATOM 0 H VAL A 46 -0.276 -5.365 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.735 -6.573 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.115 -3.704 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.594 -3.111 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.488 -3.876 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.101 -4.812 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.227 -3.682 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.599 -5.416 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.614 -4.866 -2.376 1.00 0.00 H new ATOM 702 N PRO A 47 -3.676 -6.835 -4.465 1.00 0.00 N ATOM 703 CA PRO A 47 -4.893 -6.960 -5.250 1.00 0.00 C ATOM 704 C PRO A 47 -5.968 -5.992 -4.753 1.00 0.00 C ATOM 705 O PRO A 47 -6.929 -6.404 -4.106 1.00 0.00 O ATOM 706 CB PRO A 47 -5.299 -8.419 -5.114 1.00 0.00 C ATOM 707 CG PRO A 47 -4.564 -8.945 -3.892 1.00 0.00 C ATOM 708 CD PRO A 47 -3.484 -7.938 -3.529 1.00 0.00 C ATOM 0 HA PRO A 47 -4.747 -6.696 -6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.378 -8.514 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.028 -8.984 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.255 -9.081 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.123 -9.919 -4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.585 -7.603 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.489 -8.372 -3.627 1.00 0.00 H new ATOM 716 N TYR A 48 -5.769 -4.722 -5.075 1.00 0.00 N ATOM 717 CA TYR A 48 -6.710 -3.691 -4.670 1.00 0.00 C ATOM 718 C TYR A 48 -8.136 -4.054 -5.090 1.00 0.00 C ATOM 719 O TYR A 48 -9.077 -3.885 -4.316 1.00 0.00 O ATOM 720 CB TYR A 48 -6.283 -2.418 -5.404 1.00 0.00 C ATOM 721 CG TYR A 48 -4.798 -2.082 -5.254 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.295 -1.709 -4.024 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.960 -2.152 -6.349 1.00 0.00 C ATOM 724 CE1 TYR A 48 -2.898 -1.393 -3.883 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.563 -1.836 -6.208 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.100 -1.472 -4.982 1.00 0.00 C ATOM 727 OH TYR A 48 -0.780 -1.173 -4.848 1.00 0.00 O ATOM 0 H TYR A 48 -4.970 -4.384 -5.612 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.704 -3.571 -3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.515 -2.526 -6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.874 -1.581 -5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.950 -1.654 -3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.353 -2.444 -7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.492 -1.100 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.897 -1.887 -7.057 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.332 -1.273 -5.714 1.00 0.00 H new ATOM 737 N ARG A 49 -8.250 -4.545 -6.315 1.00 0.00 N ATOM 738 CA ARG A 49 -9.545 -4.933 -6.848 1.00 0.00 C ATOM 739 C ARG A 49 -10.222 -5.942 -5.916 1.00 0.00 C ATOM 740 O ARG A 49 -11.312 -5.687 -5.407 1.00 0.00 O ATOM 741 CB ARG A 49 -9.406 -5.550 -8.241 1.00 0.00 C ATOM 742 CG ARG A 49 -10.733 -6.148 -8.711 1.00 0.00 C ATOM 743 CD ARG A 49 -10.803 -7.644 -8.396 1.00 0.00 C ATOM 744 NE ARG A 49 -11.253 -8.392 -9.590 1.00 0.00 N ATOM 745 CZ ARG A 49 -11.455 -9.717 -9.615 1.00 0.00 C ATOM 746 NH1 ARG A 49 -11.248 -10.447 -8.510 1.00 0.00 N ATOM 747 NH2 ARG A 49 -11.864 -10.312 -10.744 1.00 0.00 N ATOM 0 H ARG A 49 -7.467 -4.683 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.156 -4.033 -6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.075 -4.789 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.639 -6.325 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.561 -5.631 -8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.846 -5.993 -9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.824 -8.003 -8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.490 -7.818 -7.568 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.420 -7.867 -10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.937 -9.994 -7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.402 -11.455 -8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.022 -9.757 -11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.018 -11.320 -10.762 1.00 0.00 H new ATOM 761 N LYS A 50 -9.546 -7.065 -5.722 1.00 0.00 N ATOM 762 CA LYS A 50 -10.068 -8.112 -4.861 1.00 0.00 C ATOM 763 C LYS A 50 -10.579 -7.490 -3.560 1.00 0.00 C ATOM 764 O LYS A 50 -11.745 -7.654 -3.205 1.00 0.00 O ATOM 765 CB LYS A 50 -9.018 -9.205 -4.650 1.00 0.00 C ATOM 766 CG LYS A 50 -8.579 -9.809 -5.985 1.00 0.00 C ATOM 767 CD LYS A 50 -8.469 -11.332 -5.888 1.00 0.00 C ATOM 768 CE LYS A 50 -9.854 -11.982 -5.869 1.00 0.00 C ATOM 769 NZ LYS A 50 -9.865 -13.204 -6.704 1.00 0.00 N ATOM 0 H LYS A 50 -8.642 -7.272 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.918 -8.605 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.153 -8.789 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.426 -9.987 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.295 -9.541 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.617 -9.389 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.896 -11.713 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.923 -11.604 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.131 -12.232 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.598 -11.276 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.812 -13.632 -6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.622 -12.957 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.169 -13.883 -6.335 1.00 0.00 H new ATOM 783 N ILE A 51 -9.680 -6.789 -2.884 1.00 0.00 N ATOM 784 CA ILE A 51 -10.025 -6.141 -1.630 1.00 0.00 C ATOM 785 C ILE A 51 -11.193 -5.181 -1.861 1.00 0.00 C ATOM 786 O ILE A 51 -12.005 -4.958 -0.965 1.00 0.00 O ATOM 787 CB ILE A 51 -8.793 -5.475 -1.015 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.948 -6.490 -0.242 1.00 0.00 C ATOM 789 CG2 ILE A 51 -9.192 -4.281 -0.145 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.485 -6.436 -0.685 1.00 0.00 C ATOM 0 H ILE A 51 -8.713 -6.656 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.358 -6.878 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.173 -5.091 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.016 -6.286 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.343 -7.493 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.298 -3.826 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.718 -3.547 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.845 -4.619 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.907 -7.167 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.418 -6.664 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.086 -5.438 -0.502 1.00 0.00 H new ATOM 802 N THR A 52 -11.240 -4.637 -3.069 1.00 0.00 N ATOM 803 CA THR A 52 -12.295 -3.705 -3.429 1.00 0.00 C ATOM 804 C THR A 52 -13.643 -4.425 -3.493 1.00 0.00 C ATOM 805 O THR A 52 -14.518 -4.186 -2.662 1.00 0.00 O ATOM 806 CB THR A 52 -11.902 -3.032 -4.746 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.660 -1.676 -4.384 1.00 0.00 O ATOM 808 CG2 THR A 52 -13.068 -2.952 -5.733 1.00 0.00 C ATOM 0 H THR A 52 -10.565 -4.824 -3.810 1.00 0.00 H new ATOM 0 HA THR A 52 -12.412 -2.929 -2.673 1.00 0.00 H new ATOM 0 HB THR A 52 -11.078 -3.580 -5.202 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.398 -1.167 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.736 -2.466 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.420 -3.958 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.880 -2.375 -5.291 1.00 0.00 H new ATOM 816 N ILE A 53 -13.769 -5.292 -4.487 1.00 0.00 N ATOM 817 CA ILE A 53 -14.996 -6.048 -4.669 1.00 0.00 C ATOM 818 C ILE A 53 -15.402 -6.683 -3.338 1.00 0.00 C ATOM 819 O ILE A 53 -16.581 -6.701 -2.989 1.00 0.00 O ATOM 820 CB ILE A 53 -14.838 -7.057 -5.809 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.665 -8.003 -5.546 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.709 -6.345 -7.157 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.430 -8.930 -6.740 1.00 0.00 C ATOM 0 H ILE A 53 -13.041 -5.488 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.810 -5.387 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.740 -7.667 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.763 -7.424 -5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.865 -8.597 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.598 -7.085 -7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.602 -5.748 -7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.835 -5.694 -7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.591 -9.592 -6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.325 -9.525 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.206 -8.334 -7.625 1.00 0.00 H new ATOM 835 N ASN A 54 -14.402 -7.189 -2.631 1.00 0.00 N ATOM 836 CA ASN A 54 -14.640 -7.823 -1.346 1.00 0.00 C ATOM 837 C ASN A 54 -13.302 -8.058 -0.642 1.00 0.00 C ATOM 838 O ASN A 54 -12.422 -8.727 -1.181 1.00 0.00 O ATOM 839 CB ASN A 54 -15.327 -9.179 -1.519 1.00 0.00 C ATOM 840 CG ASN A 54 -14.353 -10.221 -2.073 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.565 -10.815 -1.356 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.451 -10.409 -3.386 1.00 0.00 N ATOM 0 H ASN A 54 -13.425 -7.173 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.282 -7.165 -0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.719 -9.517 -0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.177 -9.076 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.844 -11.084 -3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.133 -9.878 -3.928 1.00 0.00 H new ATOM 849 N PRO A 55 -13.188 -7.480 0.584 1.00 0.00 N ATOM 850 CA PRO A 55 -11.972 -7.620 1.367 1.00 0.00 C ATOM 851 C PRO A 55 -11.872 -9.019 1.979 1.00 0.00 C ATOM 852 O PRO A 55 -10.776 -9.499 2.264 1.00 0.00 O ATOM 853 CB PRO A 55 -12.048 -6.519 2.412 1.00 0.00 C ATOM 854 CG PRO A 55 -13.508 -6.102 2.472 1.00 0.00 C ATOM 855 CD PRO A 55 -14.209 -6.681 1.254 1.00 0.00 C ATOM 0 HA PRO A 55 -11.070 -7.517 0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.704 -6.877 3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.412 -5.677 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.972 -6.467 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.595 -5.015 2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -15.064 -7.292 1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.586 -5.893 0.602 1.00 0.00 H new ATOM 863 N GLY A 56 -13.031 -9.634 2.163 1.00 0.00 N ATOM 864 CA GLY A 56 -13.088 -10.968 2.736 1.00 0.00 C ATOM 865 C GLY A 56 -11.711 -11.636 2.706 1.00 0.00 C ATOM 866 O GLY A 56 -11.150 -11.956 3.753 1.00 0.00 O ATOM 0 H GLY A 56 -13.938 -9.233 1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.447 -10.911 3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.803 -11.576 2.182 1.00 0.00 H new ATOM 870 N CYS A 57 -11.208 -11.828 1.496 1.00 0.00 N ATOM 871 CA CYS A 57 -9.908 -12.452 1.316 1.00 0.00 C ATOM 872 C CYS A 57 -8.884 -11.677 2.148 1.00 0.00 C ATOM 873 O CYS A 57 -8.633 -12.016 3.303 1.00 0.00 O ATOM 874 CB CYS A 57 -9.512 -12.519 -0.160 1.00 0.00 C ATOM 875 SG CYS A 57 -10.563 -13.735 -1.036 1.00 0.00 S ATOM 0 H CYS A 57 -11.677 -11.562 0.630 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.947 -13.485 1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.619 -11.536 -0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.463 -12.800 -0.251 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.220 -13.782 -2.289 1.00 0.00 H new ATOM 881 N VAL A 58 -8.320 -10.652 1.527 1.00 0.00 N ATOM 882 CA VAL A 58 -7.329 -9.826 2.196 1.00 0.00 C ATOM 883 C VAL A 58 -7.994 -8.543 2.697 1.00 0.00 C ATOM 884 O VAL A 58 -8.839 -7.968 2.012 1.00 0.00 O ATOM 885 CB VAL A 58 -6.150 -9.560 1.257 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.250 -8.452 1.807 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.352 -10.840 1.003 1.00 0.00 C ATOM 0 H VAL A 58 -8.530 -10.374 0.568 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.925 -10.344 3.066 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.552 -9.221 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.420 -8.283 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.827 -7.533 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.861 -8.749 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.520 -10.623 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.966 -11.222 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.000 -11.588 0.547 1.00 0.00 H new ATOM 897 N VAL A 59 -7.589 -8.131 3.890 1.00 0.00 N ATOM 898 CA VAL A 59 -8.136 -6.927 4.492 1.00 0.00 C ATOM 899 C VAL A 59 -7.063 -5.837 4.506 1.00 0.00 C ATOM 900 O VAL A 59 -5.885 -6.117 4.289 1.00 0.00 O ATOM 901 CB VAL A 59 -8.688 -7.242 5.884 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.203 -5.974 6.569 1.00 0.00 C ATOM 903 CG2 VAL A 59 -9.781 -8.309 5.812 1.00 0.00 C ATOM 0 H VAL A 59 -6.888 -8.610 4.456 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.973 -6.551 3.903 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.871 -7.640 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.590 -6.225 7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.387 -5.258 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.999 -5.534 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.156 -8.514 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.598 -7.951 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.369 -9.223 5.385 1.00 0.00 H new ATOM 913 N VAL A 60 -7.508 -4.616 4.764 1.00 0.00 N ATOM 914 CA VAL A 60 -6.600 -3.482 4.809 1.00 0.00 C ATOM 915 C VAL A 60 -7.067 -2.504 5.889 1.00 0.00 C ATOM 916 O VAL A 60 -8.213 -2.057 5.873 1.00 0.00 O ATOM 917 CB VAL A 60 -6.496 -2.840 3.425 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.747 -1.507 3.494 1.00 0.00 C ATOM 919 CG2 VAL A 60 -5.830 -3.791 2.428 1.00 0.00 C ATOM 0 H VAL A 60 -8.486 -4.387 4.944 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.595 -3.807 5.077 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.508 -2.639 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.687 -1.071 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.279 -0.825 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.741 -1.675 3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.768 -3.310 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.827 -4.038 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.420 -4.704 2.346 1.00 0.00 H new ATOM 929 N ASP A 61 -6.156 -2.200 6.801 1.00 0.00 N ATOM 930 CA ASP A 61 -6.460 -1.282 7.886 1.00 0.00 C ATOM 931 C ASP A 61 -5.381 -0.200 7.951 1.00 0.00 C ATOM 932 O ASP A 61 -4.420 -0.230 7.184 1.00 0.00 O ATOM 933 CB ASP A 61 -6.483 -2.009 9.232 1.00 0.00 C ATOM 934 CG ASP A 61 -7.843 -2.581 9.635 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.344 -3.441 8.878 1.00 0.00 O ATOM 936 OD2 ASP A 61 -8.351 -2.147 10.691 1.00 0.00 O ATOM 0 H ASP A 61 -5.207 -2.573 6.811 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.441 -0.847 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.758 -2.823 9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.153 -1.317 10.007 1.00 0.00 H new ATOM 941 N GLY A 62 -5.575 0.730 8.874 1.00 0.00 N ATOM 942 CA GLY A 62 -4.630 1.820 9.049 1.00 0.00 C ATOM 943 C GLY A 62 -4.988 3.006 8.152 1.00 0.00 C ATOM 944 O GLY A 62 -4.606 4.141 8.435 1.00 0.00 O ATOM 0 H GLY A 62 -6.373 0.751 9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.624 2.137 10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.623 1.474 8.816 1.00 0.00 H new ATOM 948 N MET A 63 -5.718 2.703 7.088 1.00 0.00 N ATOM 949 CA MET A 63 -6.132 3.731 6.148 1.00 0.00 C ATOM 950 C MET A 63 -6.719 4.939 6.880 1.00 0.00 C ATOM 951 O MET A 63 -7.252 4.805 7.980 1.00 0.00 O ATOM 952 CB MET A 63 -7.178 3.155 5.191 1.00 0.00 C ATOM 953 CG MET A 63 -6.593 2.009 4.364 1.00 0.00 C ATOM 954 SD MET A 63 -5.152 2.573 3.474 1.00 0.00 S ATOM 955 CE MET A 63 -5.938 3.467 2.144 1.00 0.00 C ATOM 0 H MET A 63 -6.033 1.761 6.856 1.00 0.00 H new ATOM 0 HA MET A 63 -5.256 4.060 5.588 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.037 2.797 5.758 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.539 3.940 4.527 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.325 1.178 5.017 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.340 1.636 3.664 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.333 3.383 1.241 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.927 3.048 1.958 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.035 4.517 2.419 1.00 0.00 H new ATOM 965 N PRO A 64 -6.599 6.124 6.222 1.00 0.00 N ATOM 966 CA PRO A 64 -7.111 7.355 6.798 1.00 0.00 C ATOM 967 C PRO A 64 -8.637 7.414 6.697 1.00 0.00 C ATOM 968 O PRO A 64 -9.243 6.653 5.945 1.00 0.00 O ATOM 969 CB PRO A 64 -6.422 8.468 6.025 1.00 0.00 C ATOM 970 CG PRO A 64 -5.908 7.829 4.745 1.00 0.00 C ATOM 971 CD PRO A 64 -5.975 6.321 4.917 1.00 0.00 C ATOM 0 HA PRO A 64 -6.901 7.439 7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.116 9.279 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.604 8.897 6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.511 8.143 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.884 8.145 4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.562 5.858 4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.982 5.874 4.882 1.00 0.00 H new ATOM 979 N PRO A 65 -9.229 8.350 7.486 1.00 0.00 N ATOM 980 CA PRO A 65 -10.672 8.519 7.493 1.00 0.00 C ATOM 981 C PRO A 65 -11.147 9.236 6.227 1.00 0.00 C ATOM 982 O PRO A 65 -10.494 10.166 5.755 1.00 0.00 O ATOM 983 CB PRO A 65 -10.972 9.297 8.764 1.00 0.00 C ATOM 984 CG PRO A 65 -9.657 9.936 9.180 1.00 0.00 C ATOM 985 CD PRO A 65 -8.543 9.270 8.389 1.00 0.00 C ATOM 0 HA PRO A 65 -11.206 7.569 7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.736 10.054 8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.351 8.638 9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.675 11.008 8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.493 9.810 10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.956 10.004 7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.853 8.740 9.046 1.00 0.00 H new ATOM 993 N GLY A 66 -12.278 8.776 5.714 1.00 0.00 N ATOM 994 CA GLY A 66 -12.848 9.362 4.512 1.00 0.00 C ATOM 995 C GLY A 66 -11.952 9.103 3.299 1.00 0.00 C ATOM 996 O GLY A 66 -12.018 9.829 2.308 1.00 0.00 O ATOM 0 H GLY A 66 -12.816 8.004 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.838 8.943 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.976 10.435 4.652 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.135 8.066 3.417 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.227 7.703 2.342 1.00 0.00 C ATOM 1002 C VAL A 67 -10.354 6.205 2.058 1.00 0.00 C ATOM 1003 O VAL A 67 -10.030 5.378 2.910 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.800 8.125 2.697 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.825 7.757 1.577 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.734 9.621 3.012 1.00 0.00 C ATOM 0 H VAL A 67 -11.083 7.466 4.240 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.489 8.232 1.426 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.502 7.580 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.818 8.068 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.842 6.678 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.120 8.262 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.709 9.895 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.061 10.191 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.385 9.844 3.857 1.00 0.00 H new ATOM 1016 N SER A 68 -10.826 5.900 0.859 1.00 0.00 N ATOM 1017 CA SER A 68 -11.000 4.516 0.452 1.00 0.00 C ATOM 1018 C SER A 68 -9.668 3.944 -0.039 1.00 0.00 C ATOM 1019 O SER A 68 -8.847 4.667 -0.601 1.00 0.00 O ATOM 1020 CB SER A 68 -12.065 4.392 -0.639 1.00 0.00 C ATOM 1021 OG SER A 68 -12.619 5.657 -0.991 1.00 0.00 O ATOM 0 H SER A 68 -11.094 6.588 0.155 1.00 0.00 H new ATOM 0 HA SER A 68 -11.337 3.945 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.626 3.930 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.861 3.731 -0.295 1.00 0.00 H new ATOM 0 HG SER A 68 -13.293 5.535 -1.691 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.496 2.651 0.192 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.278 1.973 -0.220 1.00 0.00 C ATOM 1029 C PHE A 69 -8.409 1.425 -1.642 1.00 0.00 C ATOM 1030 O PHE A 69 -9.437 0.851 -1.997 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.067 0.806 0.746 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.028 -0.213 0.274 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.742 0.175 0.061 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.391 -1.507 0.066 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.778 -0.771 -0.378 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.427 -2.453 -0.373 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.141 -2.065 -0.585 1.00 0.00 C ATOM 0 H PHE A 69 -10.179 2.055 0.659 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.441 2.671 -0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.760 1.201 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.018 0.296 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.454 1.203 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.412 -1.815 0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.757 -0.463 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.715 -3.481 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.408 -2.785 -0.918 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.353 1.621 -2.418 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.338 1.153 -3.794 1.00 0.00 C ATOM 1049 C LYS A 70 -5.983 1.483 -4.425 1.00 0.00 C ATOM 1050 O LYS A 70 -5.172 2.188 -3.827 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.530 1.721 -4.566 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.550 3.249 -4.499 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.946 3.794 -4.810 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.975 3.270 -3.808 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.722 2.128 -4.381 1.00 0.00 N ATOM 0 H LYS A 70 -6.502 2.097 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.452 0.070 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.480 1.400 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.457 1.323 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.241 3.577 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.830 3.657 -5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.929 4.884 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.237 3.505 -5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.473 2.961 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.668 4.067 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.665 2.446 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.205 1.751 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.821 1.383 -3.663 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.782 0.957 -5.624 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.540 1.187 -6.342 1.00 0.00 C ATOM 1071 C ALA A 71 -4.242 2.687 -6.371 1.00 0.00 C ATOM 1072 O ALA A 71 -5.159 3.506 -6.341 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.643 0.586 -7.745 1.00 0.00 C ATOM 0 H ALA A 71 -6.458 0.373 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.708 0.696 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.711 0.758 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.825 -0.486 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.466 1.057 -8.283 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.922 3.010 -6.430 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.492 4.398 -6.464 1.00 0.00 C ATOM 1081 C PRO A 72 -2.741 5.016 -7.841 1.00 0.00 C ATOM 1082 O PRO A 72 -2.482 6.200 -8.050 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.020 4.363 -6.086 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.567 2.929 -6.308 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.809 2.067 -6.467 1.00 0.00 C ATOM 0 HA PRO A 72 -3.052 5.029 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.443 5.054 -6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.876 4.662 -5.048 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.061 2.860 -7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.032 2.583 -5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.790 1.514 -7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.886 1.332 -5.666 1.00 0.00 H new ATOM 1093 N SER A 73 -3.241 4.186 -8.745 1.00 0.00 N ATOM 1094 CA SER A 73 -3.528 4.637 -10.096 1.00 0.00 C ATOM 1095 C SER A 73 -4.825 5.448 -10.113 1.00 0.00 C ATOM 1096 O SER A 73 -4.989 6.345 -10.939 1.00 0.00 O ATOM 1097 CB SER A 73 -3.629 3.454 -11.061 1.00 0.00 C ATOM 1098 OG SER A 73 -4.266 3.815 -12.284 1.00 0.00 O ATOM 0 H SER A 73 -3.455 3.204 -8.568 1.00 0.00 H new ATOM 0 HA SER A 73 -2.706 5.272 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.630 3.072 -11.272 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.186 2.646 -10.587 1.00 0.00 H new ATOM 0 HG SER A 73 -4.310 3.033 -12.873 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.712 5.105 -9.192 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.990 5.790 -9.091 1.00 0.00 C ATOM 1106 C TYR A 74 -6.945 6.877 -8.015 1.00 0.00 C ATOM 1107 O TYR A 74 -7.535 7.944 -8.180 1.00 0.00 O ATOM 1108 CB TYR A 74 -8.008 4.725 -8.680 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.089 3.538 -9.642 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.016 3.747 -11.004 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.234 2.258 -9.147 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.091 2.629 -11.909 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.310 1.140 -10.052 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.235 1.381 -11.388 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.306 0.325 -12.243 1.00 0.00 O ATOM 0 H TYR A 74 -5.572 4.361 -8.508 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.245 6.269 -10.036 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.753 4.357 -7.686 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.992 5.187 -8.606 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.903 4.749 -11.391 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.290 2.095 -8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.034 2.778 -12.977 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.424 0.133 -9.678 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.407 -0.504 -11.731 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.238 6.569 -6.937 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.109 7.507 -5.834 1.00 0.00 C ATOM 1127 C LEU A 75 -5.450 8.792 -6.338 1.00 0.00 C ATOM 1128 O LEU A 75 -4.694 8.768 -7.309 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.371 6.857 -4.662 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.100 5.705 -3.967 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.211 5.056 -2.904 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.437 6.171 -3.389 1.00 0.00 C ATOM 0 H LEU A 75 -5.749 5.684 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.092 7.781 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.411 6.488 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.159 7.627 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.321 4.941 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.753 4.240 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.308 4.666 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.938 5.799 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.934 5.333 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.262 6.963 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.069 6.549 -4.193 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.761 9.885 -5.657 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.208 11.178 -6.023 1.00 0.00 C ATOM 1146 C GLU A 76 -3.953 11.472 -5.200 1.00 0.00 C ATOM 1147 O GLU A 76 -3.711 10.828 -4.180 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.248 12.287 -5.852 1.00 0.00 C ATOM 1149 CG GLU A 76 -6.929 12.611 -7.184 1.00 0.00 C ATOM 1150 CD GLU A 76 -7.775 13.881 -7.073 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -7.173 14.973 -7.163 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -9.004 13.731 -6.900 1.00 0.00 O ATOM 0 H GLU A 76 -6.389 9.902 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.928 11.146 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.997 11.979 -5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.768 13.183 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.175 12.739 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.560 11.775 -7.487 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.188 12.445 -5.673 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.963 12.832 -4.993 1.00 0.00 C ATOM 1161 C ILE A 77 -2.230 12.932 -3.489 1.00 0.00 C ATOM 1162 O ILE A 77 -1.531 12.314 -2.688 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.393 14.113 -5.603 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -1.085 13.922 -7.090 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.170 14.596 -4.821 1.00 0.00 C ATOM 1166 CD1 ILE A 77 -0.083 14.970 -7.581 1.00 0.00 C ATOM 0 H ILE A 77 -3.393 12.977 -6.519 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.194 12.072 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.150 14.893 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.683 12.923 -7.256 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.006 13.995 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.216 15.508 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.455 14.798 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.602 13.826 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.119 14.812 -8.640 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.499 15.967 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.845 14.878 -7.017 1.00 0.00 H new ATOM 1178 N SER A 78 -3.243 13.717 -3.152 1.00 0.00 N ATOM 1179 CA SER A 78 -3.611 13.906 -1.759 1.00 0.00 C ATOM 1180 C SER A 78 -3.828 12.550 -1.086 1.00 0.00 C ATOM 1181 O SER A 78 -3.185 12.240 -0.084 1.00 0.00 O ATOM 1182 CB SER A 78 -4.869 14.768 -1.634 1.00 0.00 C ATOM 1183 OG SER A 78 -5.146 15.116 -0.280 1.00 0.00 O ATOM 0 H SER A 78 -3.820 14.229 -3.819 1.00 0.00 H new ATOM 0 HA SER A 78 -2.795 14.426 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.746 15.676 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.720 14.230 -2.051 1.00 0.00 H new ATOM 0 HG SER A 78 -5.955 15.667 -0.243 1.00 0.00 H new ATOM 1189 N SER A 79 -4.736 11.777 -1.663 1.00 0.00 N ATOM 1190 CA SER A 79 -5.046 10.461 -1.131 1.00 0.00 C ATOM 1191 C SER A 79 -3.756 9.739 -0.735 1.00 0.00 C ATOM 1192 O SER A 79 -3.585 9.354 0.420 1.00 0.00 O ATOM 1193 CB SER A 79 -5.830 9.627 -2.145 1.00 0.00 C ATOM 1194 OG SER A 79 -7.133 10.155 -2.377 1.00 0.00 O ATOM 0 H SER A 79 -5.267 12.037 -2.494 1.00 0.00 H new ATOM 0 HA SER A 79 -5.670 10.589 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.281 9.590 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.913 8.602 -1.784 1.00 0.00 H new ATOM 0 HG SER A 79 -7.601 9.595 -3.031 1.00 0.00 H new ATOM 1200 N MET A 80 -2.881 9.579 -1.717 1.00 0.00 N ATOM 1201 CA MET A 80 -1.611 8.911 -1.486 1.00 0.00 C ATOM 1202 C MET A 80 -0.882 9.518 -0.286 1.00 0.00 C ATOM 1203 O MET A 80 -0.743 8.873 0.752 1.00 0.00 O ATOM 1204 CB MET A 80 -0.734 9.036 -2.734 1.00 0.00 C ATOM 1205 CG MET A 80 -1.432 8.439 -3.957 1.00 0.00 C ATOM 1206 SD MET A 80 -0.285 8.326 -5.320 1.00 0.00 S ATOM 1207 CE MET A 80 -0.936 9.606 -6.380 1.00 0.00 C ATOM 0 H MET A 80 -3.026 9.900 -2.674 1.00 0.00 H new ATOM 0 HA MET A 80 -1.808 7.860 -1.273 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.505 10.086 -2.918 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.215 8.527 -2.568 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.822 7.450 -3.717 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.284 9.058 -4.238 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.930 9.260 -7.414 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.958 9.841 -6.082 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.318 10.500 -6.293 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.436 10.752 -0.468 1.00 0.00 N ATOM 1218 CA ARG A 81 0.276 11.454 0.587 1.00 0.00 C ATOM 1219 C ARG A 81 -0.313 11.097 1.953 1.00 0.00 C ATOM 1220 O ARG A 81 0.415 10.710 2.865 1.00 0.00 O ATOM 1221 CB ARG A 81 0.202 12.969 0.387 1.00 0.00 C ATOM 1222 CG ARG A 81 1.601 13.587 0.357 1.00 0.00 C ATOM 1223 CD ARG A 81 1.813 14.402 -0.921 1.00 0.00 C ATOM 1224 NE ARG A 81 2.765 15.506 -0.665 1.00 0.00 N ATOM 1225 CZ ARG A 81 4.067 15.330 -0.402 1.00 0.00 C ATOM 1226 NH1 ARG A 81 4.580 14.093 -0.359 1.00 0.00 N ATOM 1227 NH2 ARG A 81 4.855 16.391 -0.183 1.00 0.00 N ATOM 0 H ARG A 81 -0.554 11.284 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 81 1.320 11.144 0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.318 13.191 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.380 13.418 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.738 14.228 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.352 12.799 0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.194 13.758 -1.714 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.861 14.805 -1.268 1.00 0.00 H new ATOM 0 HE ARG A 81 2.407 16.461 -0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.979 13.286 -0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.571 13.959 -0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.464 17.332 -0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.846 16.257 0.017 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.627 11.239 2.050 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.323 10.937 3.290 1.00 0.00 C ATOM 1243 C ARG A 82 -1.967 9.527 3.768 1.00 0.00 C ATOM 1244 O ARG A 82 -1.401 9.358 4.847 1.00 0.00 O ATOM 1245 CB ARG A 82 -3.838 11.039 3.110 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.264 12.486 2.853 1.00 0.00 C ATOM 1247 CD ARG A 82 -5.780 12.588 2.674 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.398 13.138 3.901 1.00 0.00 N ATOM 1249 CZ ARG A 82 -6.088 14.330 4.430 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -5.165 15.103 3.842 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -6.700 14.748 5.546 1.00 0.00 N ATOM 0 H ARG A 82 -2.228 11.559 1.291 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.007 11.668 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.152 10.410 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.340 10.661 4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.950 13.115 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.763 12.864 1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.012 13.227 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.196 11.604 2.457 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.104 12.574 4.374 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.699 14.784 2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.928 16.010 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.402 14.159 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.464 15.655 5.948 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.312 8.552 2.941 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.036 7.163 3.265 1.00 0.00 C ATOM 1267 C ILE A 83 -0.608 7.043 3.801 1.00 0.00 C ATOM 1268 O ILE A 83 -0.384 6.450 4.856 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.318 6.264 2.059 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.797 6.312 1.673 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.839 4.834 2.317 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -3.976 6.148 0.163 1.00 0.00 C ATOM 0 H ILE A 83 -2.780 8.696 2.047 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.704 6.816 4.054 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.751 6.645 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.338 5.523 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.229 7.260 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.051 4.216 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.765 4.838 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.358 4.427 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.037 6.186 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.454 6.953 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.565 5.188 -0.150 1.00 0.00 H new ATOM 1284 N LEU A 84 0.322 7.615 3.050 1.00 0.00 N ATOM 1285 CA LEU A 84 1.722 7.580 3.437 1.00 0.00 C ATOM 1286 C LEU A 84 1.861 8.070 4.879 1.00 0.00 C ATOM 1287 O LEU A 84 2.540 7.441 5.690 1.00 0.00 O ATOM 1288 CB LEU A 84 2.574 8.363 2.436 1.00 0.00 C ATOM 1289 CG LEU A 84 2.528 7.872 0.987 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.204 8.873 0.048 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.131 6.472 0.863 1.00 0.00 C ATOM 0 H LEU A 84 0.133 8.105 2.176 1.00 0.00 H new ATOM 0 HA LEU A 84 2.099 6.558 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.256 9.405 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.610 8.339 2.774 1.00 0.00 H new ATOM 0 HG LEU A 84 1.484 7.800 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.158 8.500 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.690 9.833 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.246 9.000 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.086 6.147 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.170 6.493 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.568 5.777 1.485 1.00 0.00 H new ATOM 1303 N ASP A 85 1.208 9.189 5.155 1.00 0.00 N ATOM 1304 CA ASP A 85 1.250 9.772 6.486 1.00 0.00 C ATOM 1305 C ASP A 85 0.887 8.702 7.518 1.00 0.00 C ATOM 1306 O ASP A 85 1.293 8.788 8.676 1.00 0.00 O ATOM 1307 CB ASP A 85 0.244 10.917 6.618 1.00 0.00 C ATOM 1308 CG ASP A 85 0.618 11.990 7.642 1.00 0.00 C ATOM 1309 OD1 ASP A 85 1.829 12.280 7.745 1.00 0.00 O ATOM 1310 OD2 ASP A 85 -0.317 12.497 8.300 1.00 0.00 O ATOM 0 H ASP A 85 0.647 9.708 4.480 1.00 0.00 H new ATOM 0 HA ASP A 85 2.256 10.155 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.126 11.391 5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.726 10.499 6.889 1.00 0.00 H new ATOM 1315 N SER A 86 0.128 7.717 7.060 1.00 0.00 N ATOM 1316 CA SER A 86 -0.294 6.632 7.929 1.00 0.00 C ATOM 1317 C SER A 86 0.376 5.326 7.498 1.00 0.00 C ATOM 1318 O SER A 86 -0.103 4.241 7.826 1.00 0.00 O ATOM 1319 CB SER A 86 -1.816 6.477 7.917 1.00 0.00 C ATOM 1320 OG SER A 86 -2.424 7.086 9.053 1.00 0.00 O ATOM 0 H SER A 86 -0.205 7.648 6.099 1.00 0.00 H new ATOM 0 HA SER A 86 0.012 6.871 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.219 6.923 7.008 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.072 5.418 7.893 1.00 0.00 H new ATOM 0 HG SER A 86 -2.370 6.477 9.819 1.00 0.00 H new ATOM 1326 N ALA A 87 1.473 5.473 6.770 1.00 0.00 N ATOM 1327 CA ALA A 87 2.213 4.318 6.291 1.00 0.00 C ATOM 1328 C ALA A 87 2.449 3.351 7.453 1.00 0.00 C ATOM 1329 O ALA A 87 2.383 2.135 7.276 1.00 0.00 O ATOM 1330 CB ALA A 87 3.520 4.782 5.645 1.00 0.00 C ATOM 0 H ALA A 87 1.867 6.374 6.500 1.00 0.00 H new ATOM 0 HA ALA A 87 1.643 3.786 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.076 3.916 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.297 5.443 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.120 5.318 6.381 1.00 0.00 H new ATOM 1336 N GLU A 88 2.718 3.926 8.615 1.00 0.00 N ATOM 1337 CA GLU A 88 2.963 3.130 9.806 1.00 0.00 C ATOM 1338 C GLU A 88 1.657 2.512 10.309 1.00 0.00 C ATOM 1339 O GLU A 88 1.672 1.474 10.969 1.00 0.00 O ATOM 1340 CB GLU A 88 3.630 3.968 10.898 1.00 0.00 C ATOM 1341 CG GLU A 88 2.717 5.111 11.347 1.00 0.00 C ATOM 1342 CD GLU A 88 3.417 6.000 12.376 1.00 0.00 C ATOM 1343 OE1 GLU A 88 4.485 6.545 12.023 1.00 0.00 O ATOM 1344 OE2 GLU A 88 2.868 6.116 13.493 1.00 0.00 O ATOM 0 H GLU A 88 2.772 4.935 8.758 1.00 0.00 H new ATOM 0 HA GLU A 88 3.647 2.323 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.871 3.334 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.571 4.374 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.425 5.709 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.802 4.703 11.776 1.00 0.00 H new ATOM 1351 N PHE A 89 0.560 3.176 9.978 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.752 2.705 10.389 1.00 0.00 C ATOM 1353 C PHE A 89 -1.262 1.613 9.446 1.00 0.00 C ATOM 1354 O PHE A 89 -1.873 0.642 9.888 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.700 3.904 10.322 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.873 4.636 11.654 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.328 3.963 12.745 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -1.571 5.959 11.748 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.488 4.642 13.982 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.732 6.638 12.985 1.00 0.00 C ATOM 1361 CZ PHE A 89 -2.187 5.965 14.076 1.00 0.00 C ATOM 0 H PHE A 89 0.552 4.036 9.430 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.699 2.285 11.393 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.327 4.608 9.578 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.676 3.563 9.977 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.568 2.913 12.671 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.209 6.493 10.882 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.849 4.108 14.848 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.493 7.689 13.059 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.309 6.481 15.017 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.993 1.811 8.163 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.417 0.855 7.154 1.00 0.00 C ATOM 1373 C ILE A 90 -1.220 -0.565 7.687 1.00 0.00 C ATOM 1374 O ILE A 90 -0.271 -0.829 8.424 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.699 1.121 5.830 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.899 2.569 5.378 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.137 0.120 4.758 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.332 3.034 5.644 1.00 0.00 C ATOM 0 H ILE A 90 -0.487 2.619 7.800 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.480 0.970 6.942 1.00 0.00 H new ATOM 0 HB ILE A 90 0.370 0.978 5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.199 3.218 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.676 2.656 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.612 0.331 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.900 -0.892 5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.211 0.207 4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.447 4.066 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.028 2.398 5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.543 2.969 6.711 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.132 -1.443 7.294 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.069 -2.829 7.723 1.00 0.00 C ATOM 1392 C LYS A 91 -2.817 -3.704 6.716 1.00 0.00 C ATOM 1393 O LYS A 91 -3.731 -3.235 6.039 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.581 -2.970 9.159 1.00 0.00 C ATOM 1395 CG LYS A 91 -2.128 -4.295 9.775 1.00 0.00 C ATOM 1396 CD LYS A 91 -2.263 -4.265 11.299 1.00 0.00 C ATOM 1397 CE LYS A 91 -3.398 -5.178 11.767 1.00 0.00 C ATOM 1398 NZ LYS A 91 -2.964 -5.993 12.923 1.00 0.00 N ATOM 0 H LYS A 91 -2.918 -1.221 6.683 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.036 -3.175 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.214 -2.140 9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.670 -2.914 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.725 -5.112 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.091 -4.492 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.325 -4.580 11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.452 -3.244 11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.265 -4.578 12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.708 -5.830 10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.746 -6.607 13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.150 -6.580 12.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.690 -5.366 13.706 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.402 -4.961 6.649 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.022 -5.906 5.735 1.00 0.00 C ATOM 1414 C PHE A 92 -3.152 -7.287 6.380 1.00 0.00 C ATOM 1415 O PHE A 92 -2.151 -7.905 6.741 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.108 -6.011 4.513 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.285 -4.875 3.504 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.876 -3.616 3.818 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.852 -5.123 2.293 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -2.040 -2.562 2.881 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -3.016 -4.069 1.356 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.607 -2.810 1.670 1.00 0.00 C ATOM 0 H PHE A 92 -1.644 -5.347 7.212 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.022 -5.564 5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.071 -6.027 4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.296 -6.961 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.427 -3.418 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.178 -6.122 2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.714 -1.563 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.465 -4.267 0.394 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.733 -2.008 0.958 1.00 0.00 H new ATOM 1432 N THR A 93 -4.393 -7.732 6.506 1.00 0.00 N ATOM 1433 CA THR A 93 -4.667 -9.029 7.101 1.00 0.00 C ATOM 1434 C THR A 93 -5.092 -10.030 6.025 1.00 0.00 C ATOM 1435 O THR A 93 -6.020 -9.770 5.261 1.00 0.00 O ATOM 1436 CB THR A 93 -5.717 -8.834 8.197 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.203 -7.761 8.982 1.00 0.00 O ATOM 1438 CG2 THR A 93 -5.774 -10.013 9.170 1.00 0.00 C ATOM 0 H THR A 93 -5.221 -7.217 6.206 1.00 0.00 H new ATOM 0 HA THR A 93 -3.772 -9.451 7.559 1.00 0.00 H new ATOM 0 HB THR A 93 -6.697 -8.693 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.823 -7.566 9.716 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.535 -9.823 9.927 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.024 -10.923 8.625 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.804 -10.134 9.653 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.391 -11.155 5.999 1.00 0.00 N ATOM 1447 CA VAL A 94 -4.683 -12.197 5.030 1.00 0.00 C ATOM 1448 C VAL A 94 -5.594 -13.244 5.673 1.00 0.00 C ATOM 1449 O VAL A 94 -5.125 -14.289 6.121 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.380 -12.788 4.489 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -3.655 -14.023 3.627 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.585 -11.740 3.708 1.00 0.00 C ATOM 0 H VAL A 94 -3.621 -11.367 6.634 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.217 -11.784 4.174 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.775 -13.101 5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.712 -14.424 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.160 -14.780 4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.289 -13.745 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.663 -12.186 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.181 -11.382 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.343 -10.904 4.364 1.00 0.00 H new ATOM 1462 N ILE A 95 -6.881 -12.929 5.696 1.00 0.00 N ATOM 1463 CA ILE A 95 -7.862 -13.830 6.277 1.00 0.00 C ATOM 1464 C ILE A 95 -7.951 -15.098 5.425 1.00 0.00 C ATOM 1465 O ILE A 95 -7.823 -16.207 5.941 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.203 -13.117 6.459 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.119 -12.067 7.570 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.330 -14.122 6.704 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.242 -10.888 7.145 1.00 0.00 C ATOM 0 H ILE A 95 -7.267 -12.062 5.322 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.552 -14.137 7.276 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.438 -12.590 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.120 -11.711 7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.712 -12.520 8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.272 -13.589 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.407 -14.798 5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.115 -14.697 7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.199 -10.157 7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.236 -11.244 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.665 -10.422 6.255 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.169 -14.891 4.134 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.276 -16.003 3.206 1.00 0.00 C ATOM 1483 C ARG A 96 -7.507 -15.697 1.920 1.00 0.00 C ATOM 1484 O ARG A 96 -7.645 -14.615 1.352 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.738 -16.293 2.860 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.575 -16.479 4.128 1.00 0.00 C ATOM 1487 CD ARG A 96 -11.289 -17.832 4.120 1.00 0.00 C ATOM 1488 NE ARG A 96 -10.406 -18.874 4.691 1.00 0.00 N ATOM 1489 CZ ARG A 96 -10.797 -20.127 4.956 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -12.058 -20.503 4.703 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -9.927 -21.005 5.474 1.00 0.00 N ATOM 0 H ARG A 96 -8.274 -13.970 3.710 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.848 -16.881 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.145 -15.473 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.799 -17.191 2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.933 -16.408 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.309 -15.677 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.211 -17.769 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.568 -18.099 3.101 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.439 -18.622 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.720 -19.835 4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.356 -21.457 4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.967 -20.719 5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.225 -21.959 5.676 1.00 0.00 H new ATOM 1505 N PRO A 97 -6.691 -16.695 1.486 1.00 0.00 N ATOM 1506 CA PRO A 97 -5.899 -16.543 0.278 1.00 0.00 C ATOM 1507 C PRO A 97 -6.774 -16.670 -0.971 1.00 0.00 C ATOM 1508 O PRO A 97 -7.906 -17.146 -0.895 1.00 0.00 O ATOM 1509 CB PRO A 97 -4.833 -17.623 0.367 1.00 0.00 C ATOM 1510 CG PRO A 97 -5.345 -18.631 1.383 1.00 0.00 C ATOM 1511 CD PRO A 97 -6.502 -17.990 2.133 1.00 0.00 C ATOM 0 HA PRO A 97 -5.442 -15.557 0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.672 -18.094 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.877 -17.203 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.672 -19.543 0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.551 -18.913 2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.403 -18.600 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.272 -17.874 3.192 1.00 0.00 H new ATOM 1519 N PHE A 98 -6.217 -16.235 -2.092 1.00 0.00 N ATOM 1520 CA PHE A 98 -6.933 -16.294 -3.355 1.00 0.00 C ATOM 1521 C PHE A 98 -6.650 -17.608 -4.085 1.00 0.00 C ATOM 1522 O PHE A 98 -5.695 -18.311 -3.758 1.00 0.00 O ATOM 1523 CB PHE A 98 -6.427 -15.130 -4.210 1.00 0.00 C ATOM 1524 CG PHE A 98 -6.110 -13.863 -3.412 1.00 0.00 C ATOM 1525 CD1 PHE A 98 -7.105 -13.203 -2.762 1.00 0.00 C ATOM 1526 CD2 PHE A 98 -4.834 -13.399 -3.353 1.00 0.00 C ATOM 1527 CE1 PHE A 98 -6.811 -12.027 -2.022 1.00 0.00 C ATOM 1528 CE2 PHE A 98 -4.539 -12.223 -2.613 1.00 0.00 C ATOM 1529 CZ PHE A 98 -5.535 -11.562 -1.963 1.00 0.00 C ATOM 0 H PHE A 98 -5.278 -15.840 -2.152 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.007 -16.232 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.529 -15.446 -4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.177 -14.894 -4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.119 -13.573 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.044 -13.925 -3.869 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.601 -11.502 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.525 -11.854 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.312 -10.668 -1.400 1.00 0.00 H new ATOM 1539 N PRO A 99 -7.520 -17.908 -5.086 1.00 0.00 N ATOM 1540 CA PRO A 99 -7.373 -19.126 -5.865 1.00 0.00 C ATOM 1541 C PRO A 99 -6.217 -19.004 -6.860 1.00 0.00 C ATOM 1542 O PRO A 99 -6.421 -18.624 -8.012 1.00 0.00 O ATOM 1543 CB PRO A 99 -8.720 -19.325 -6.542 1.00 0.00 C ATOM 1544 CG PRO A 99 -9.416 -17.975 -6.490 1.00 0.00 C ATOM 1545 CD PRO A 99 -8.662 -17.099 -5.502 1.00 0.00 C ATOM 0 HA PRO A 99 -7.119 -19.990 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.594 -19.660 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.306 -20.087 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.428 -17.514 -7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.455 -18.093 -6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.339 -16.167 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.289 -16.832 -4.651 1.00 0.00 H new ATOM 1553 N GLY A 100 -5.027 -19.334 -6.378 1.00 0.00 N ATOM 1554 CA GLY A 100 -3.838 -19.267 -7.211 1.00 0.00 C ATOM 1555 C GLY A 100 -2.707 -18.527 -6.492 1.00 0.00 C ATOM 1556 O GLY A 100 -1.560 -18.561 -6.935 1.00 0.00 O ATOM 0 H GLY A 100 -4.861 -19.648 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.512 -20.275 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.073 -18.759 -8.147 1.00 0.00 H new ATOM 1560 N LEU A 101 -3.071 -17.878 -5.396 1.00 0.00 N ATOM 1561 CA LEU A 101 -2.101 -17.131 -4.613 1.00 0.00 C ATOM 1562 C LEU A 101 -0.977 -18.071 -4.172 1.00 0.00 C ATOM 1563 O LEU A 101 -1.182 -19.278 -4.052 1.00 0.00 O ATOM 1564 CB LEU A 101 -2.791 -16.411 -3.453 1.00 0.00 C ATOM 1565 CG LEU A 101 -1.933 -15.404 -2.684 1.00 0.00 C ATOM 1566 CD1 LEU A 101 -1.645 -14.166 -3.536 1.00 0.00 C ATOM 1567 CD2 LEU A 101 -2.580 -15.041 -1.346 1.00 0.00 C ATOM 0 H LEU A 101 -4.023 -17.854 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.644 -16.348 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.665 -15.890 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.154 -17.161 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.974 -15.872 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.034 -13.466 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.111 -14.462 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.585 -13.687 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.950 -14.324 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.561 -14.600 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.691 -15.940 -0.740 1.00 0.00 H new ATOM 1579 N VAL A 102 0.188 -17.482 -3.942 1.00 0.00 N ATOM 1580 CA VAL A 102 1.345 -18.251 -3.517 1.00 0.00 C ATOM 1581 C VAL A 102 1.971 -17.586 -2.289 1.00 0.00 C ATOM 1582 O VAL A 102 1.938 -16.364 -2.157 1.00 0.00 O ATOM 1583 CB VAL A 102 2.327 -18.404 -4.680 1.00 0.00 C ATOM 1584 CG1 VAL A 102 3.579 -19.168 -4.244 1.00 0.00 C ATOM 1585 CG2 VAL A 102 1.659 -19.084 -5.877 1.00 0.00 C ATOM 0 H VAL A 102 0.355 -16.481 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 102 1.048 -19.258 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 102 2.635 -17.406 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.260 -19.263 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.074 -18.626 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.296 -20.160 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.379 -19.180 -6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.308 -20.074 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.813 -18.483 -6.211 1.00 0.00 H new ATOM 1595 N ILE A 103 2.526 -18.421 -1.423 1.00 0.00 N ATOM 1596 CA ILE A 103 3.158 -17.930 -0.210 1.00 0.00 C ATOM 1597 C ILE A 103 4.548 -18.555 -0.076 1.00 0.00 C ATOM 1598 O ILE A 103 4.856 -19.180 0.937 1.00 0.00 O ATOM 1599 CB ILE A 103 2.255 -18.172 1.001 1.00 0.00 C ATOM 1600 CG1 ILE A 103 0.864 -17.574 0.776 1.00 0.00 C ATOM 1601 CG2 ILE A 103 2.904 -17.647 2.283 1.00 0.00 C ATOM 1602 CD1 ILE A 103 0.017 -17.665 2.047 1.00 0.00 C ATOM 0 H ILE A 103 2.551 -19.434 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 103 3.297 -16.850 -0.263 1.00 0.00 H new ATOM 0 HB ILE A 103 2.127 -19.248 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.957 -16.532 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.365 -18.101 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.241 -17.832 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.852 -18.159 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.082 -16.576 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.966 -17.233 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.094 -18.710 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.507 -17.116 2.851 1.00 0.00 H new ATOM 1614 N ASN A 104 5.350 -18.364 -1.113 1.00 0.00 N ATOM 1615 CA ASN A 104 6.700 -18.901 -1.124 1.00 0.00 C ATOM 1616 C ASN A 104 7.400 -18.486 -2.419 1.00 0.00 C ATOM 1617 O ASN A 104 6.875 -17.674 -3.179 1.00 0.00 O ATOM 1618 CB ASN A 104 6.685 -20.430 -1.063 1.00 0.00 C ATOM 1619 CG ASN A 104 6.005 -21.021 -2.300 1.00 0.00 C ATOM 1620 OD1 ASN A 104 6.837 -21.269 -3.308 1.00 0.00 O flip ATOM 1621 ND2 ASN A 104 4.805 -21.237 -2.337 1.00 0.00 N flip ATOM 0 H ASN A 104 5.091 -17.845 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 104 7.225 -18.510 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 104 7.706 -20.805 -0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.161 -20.757 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.223 -21.023 -1.527 1.00 0.00 H new ATOM 0 HD22 ASN A 104 4.384 -21.631 -3.178 1.00 0.00 H new ATOM 1628 N ASN A 105 8.573 -19.063 -2.632 1.00 0.00 N ATOM 1629 CA ASN A 105 9.350 -18.763 -3.823 1.00 0.00 C ATOM 1630 C ASN A 105 8.463 -18.922 -5.059 1.00 0.00 C ATOM 1631 O ASN A 105 7.301 -19.310 -4.947 1.00 0.00 O ATOM 1632 CB ASN A 105 10.534 -19.722 -3.964 1.00 0.00 C ATOM 1633 CG ASN A 105 10.135 -21.146 -3.574 1.00 0.00 C ATOM 1634 OD1 ASN A 105 9.287 -21.722 -4.422 1.00 0.00 O flip ATOM 1635 ND2 ASN A 105 10.569 -21.688 -2.571 1.00 0.00 N flip ATOM 0 H ASN A 105 9.005 -19.737 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 105 9.721 -17.742 -3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.896 -19.710 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.357 -19.385 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 105 11.218 -21.189 -1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.283 -22.640 -2.341 1.00 0.00 H new ATOM 1642 N GLN A 106 9.044 -18.614 -6.209 1.00 0.00 N ATOM 1643 CA GLN A 106 8.320 -18.718 -7.464 1.00 0.00 C ATOM 1644 C GLN A 106 7.204 -17.673 -7.522 1.00 0.00 C ATOM 1645 O GLN A 106 6.034 -18.017 -7.678 1.00 0.00 O ATOM 1646 CB GLN A 106 7.761 -20.128 -7.660 1.00 0.00 C ATOM 1647 CG GLN A 106 8.625 -20.931 -8.635 1.00 0.00 C ATOM 1648 CD GLN A 106 8.571 -20.327 -10.040 1.00 0.00 C ATOM 1649 OE1 GLN A 106 7.573 -19.771 -10.466 1.00 0.00 O ATOM 1650 NE2 GLN A 106 9.698 -20.468 -10.732 1.00 0.00 N ATOM 0 H GLN A 106 10.008 -18.292 -6.298 1.00 0.00 H new ATOM 0 HA GLN A 106 9.017 -18.523 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.717 -20.642 -6.700 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.740 -20.069 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.656 -20.949 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.280 -21.965 -8.666 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.497 -20.945 -10.314 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.763 -20.099 -11.681 1.00 0.00 H new ATOM 1659 N LEU A 107 7.606 -16.417 -7.393 1.00 0.00 N ATOM 1660 CA LEU A 107 6.654 -15.319 -7.428 1.00 0.00 C ATOM 1661 C LEU A 107 6.366 -14.947 -8.884 1.00 0.00 C ATOM 1662 O LEU A 107 7.254 -15.009 -9.732 1.00 0.00 O ATOM 1663 CB LEU A 107 7.156 -14.147 -6.582 1.00 0.00 C ATOM 1664 CG LEU A 107 6.592 -12.771 -6.940 1.00 0.00 C ATOM 1665 CD1 LEU A 107 5.866 -12.149 -5.746 1.00 0.00 C ATOM 1666 CD2 LEU A 107 7.688 -11.854 -7.486 1.00 0.00 C ATOM 0 H LEU A 107 8.578 -16.135 -7.264 1.00 0.00 H new ATOM 0 HA LEU A 107 5.707 -15.621 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 107 6.923 -14.353 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.242 -14.105 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 107 5.856 -12.899 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.475 -11.171 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.043 -12.796 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.563 -12.036 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.260 -10.882 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.465 -11.727 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.121 -12.298 -8.383 1.00 0.00 H new ATOM 1678 N VAL A 108 5.120 -14.568 -9.128 1.00 0.00 N ATOM 1679 CA VAL A 108 4.703 -14.186 -10.467 1.00 0.00 C ATOM 1680 C VAL A 108 4.286 -12.714 -10.466 1.00 0.00 C ATOM 1681 O VAL A 108 3.113 -12.397 -10.277 1.00 0.00 O ATOM 1682 CB VAL A 108 3.594 -15.121 -10.957 1.00 0.00 C ATOM 1683 CG1 VAL A 108 3.019 -14.638 -12.290 1.00 0.00 C ATOM 1684 CG2 VAL A 108 4.100 -16.560 -11.067 1.00 0.00 C ATOM 0 H VAL A 108 4.386 -14.517 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 108 5.531 -14.289 -11.169 1.00 0.00 H new ATOM 0 HB VAL A 108 2.791 -15.104 -10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.233 -15.320 -12.616 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.603 -13.638 -12.166 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.810 -14.612 -13.039 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.293 -17.204 -11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.929 -16.601 -11.773 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.439 -16.902 -10.089 1.00 0.00 H new ATOM 1694 N SER A 109 5.271 -11.853 -10.678 1.00 0.00 N ATOM 1695 CA SER A 109 5.021 -10.422 -10.704 1.00 0.00 C ATOM 1696 C SER A 109 6.342 -9.659 -10.585 1.00 0.00 C ATOM 1697 O SER A 109 6.801 -9.373 -9.480 1.00 0.00 O ATOM 1698 CB SER A 109 4.066 -10.009 -9.582 1.00 0.00 C ATOM 1699 OG SER A 109 4.107 -10.917 -8.485 1.00 0.00 O ATOM 0 H SER A 109 6.243 -12.119 -10.833 1.00 0.00 H new ATOM 0 HA SER A 109 4.549 -10.174 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 109 4.326 -9.009 -9.235 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.049 -9.957 -9.972 1.00 0.00 H new ATOM 0 HG SER A 109 3.471 -11.646 -8.640 1.00 0.00 H new ATOM 1705 N GLY A 110 6.915 -9.349 -11.739 1.00 0.00 N ATOM 1706 CA GLY A 110 8.174 -8.624 -11.778 1.00 0.00 C ATOM 1707 C GLY A 110 8.214 -7.658 -12.964 1.00 0.00 C ATOM 1708 O GLY A 110 8.613 -8.037 -14.064 1.00 0.00 O ATOM 0 H GLY A 110 6.531 -9.587 -12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 110 8.308 -8.070 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 110 9.002 -9.329 -11.851 1.00 0.00 H new ATOM 1712 N PRO A 111 7.783 -6.397 -12.693 1.00 0.00 N ATOM 1713 CA PRO A 111 7.765 -5.374 -13.725 1.00 0.00 C ATOM 1714 C PRO A 111 9.179 -4.866 -14.017 1.00 0.00 C ATOM 1715 O PRO A 111 9.458 -3.677 -13.869 1.00 0.00 O ATOM 1716 CB PRO A 111 6.843 -4.291 -13.190 1.00 0.00 C ATOM 1717 CG PRO A 111 6.748 -4.528 -11.692 1.00 0.00 C ATOM 1718 CD PRO A 111 7.303 -5.913 -11.402 1.00 0.00 C ATOM 0 HA PRO A 111 7.403 -5.748 -14.683 1.00 0.00 H new ATOM 0 HB2 PRO A 111 7.240 -3.299 -13.404 1.00 0.00 H new ATOM 0 HB3 PRO A 111 5.860 -4.349 -13.658 1.00 0.00 H new ATOM 0 HG2 PRO A 111 7.312 -3.770 -11.149 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.713 -4.454 -11.359 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.109 -5.871 -10.670 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.535 -6.570 -10.993 1.00 0.00 H new ATOM 1726 N SER A 112 10.033 -5.792 -14.428 1.00 0.00 N ATOM 1727 CA SER A 112 11.410 -5.452 -14.742 1.00 0.00 C ATOM 1728 C SER A 112 11.997 -4.570 -13.638 1.00 0.00 C ATOM 1729 O SER A 112 12.568 -3.517 -13.917 1.00 0.00 O ATOM 1730 CB SER A 112 11.508 -4.745 -16.095 1.00 0.00 C ATOM 1731 OG SER A 112 12.813 -4.221 -16.330 1.00 0.00 O ATOM 0 H SER A 112 9.798 -6.777 -14.551 1.00 0.00 H new ATOM 0 HA SER A 112 11.985 -6.376 -14.803 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.250 -5.445 -16.890 1.00 0.00 H new ATOM 0 HB3 SER A 112 10.779 -3.935 -16.135 1.00 0.00 H new ATOM 0 HG SER A 112 13.041 -3.581 -15.623 1.00 0.00 H new ATOM 1737 N SER A 113 11.836 -5.033 -12.407 1.00 0.00 N ATOM 1738 CA SER A 113 12.343 -4.300 -11.259 1.00 0.00 C ATOM 1739 C SER A 113 11.905 -4.987 -9.964 1.00 0.00 C ATOM 1740 O SER A 113 12.742 -5.419 -9.173 1.00 0.00 O ATOM 1741 CB SER A 113 11.862 -2.847 -11.278 1.00 0.00 C ATOM 1742 OG SER A 113 12.105 -2.188 -10.038 1.00 0.00 O ATOM 0 H SER A 113 11.362 -5.907 -12.179 1.00 0.00 H new ATOM 0 HA SER A 113 13.432 -4.295 -11.310 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.367 -2.308 -12.080 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.795 -2.821 -11.499 1.00 0.00 H new ATOM 0 HG SER A 113 11.786 -1.263 -10.091 1.00 0.00 H new ATOM 1748 N GLY A 114 10.595 -5.067 -9.788 1.00 0.00 N ATOM 1749 CA GLY A 114 10.036 -5.694 -8.602 1.00 0.00 C ATOM 1750 C GLY A 114 10.865 -5.357 -7.361 1.00 0.00 C ATOM 1751 O GLY A 114 10.353 -4.770 -6.409 1.00 0.00 O ATOM 0 H GLY A 114 9.904 -4.708 -10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 114 9.009 -5.359 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.003 -6.775 -8.739 1.00 0.00 H new TER 1755 GLY A 114