USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 30 LYS NZ :NH3+ -160:sc= 1.1 (180deg=0.743) USER MOD Set 1.2: A 34 THR OG1 : rot 86:sc= 0.339 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0575 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 11 THR OG1 : rot 44:sc= 0.0578 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 29 GLN : amide:sc= -1.07! X(o=-1.1!,f=-0.77) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00882) USER MOD Single : A 37 ASN : amide:sc= -0.0943 K(o=-0.094,f=-0.79) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.08) USER MOD Single : A 46 TYR OH : rot 65:sc= 0.202 USER MOD Single : A 48 SER OG : rot 65:sc= 1.08 USER MOD Single : A 54 ASN : amide:sc=-0.00643 X(o=-0.0064,f=-0.47) USER MOD Single : A 55 ASN : amide:sc= -0.0396 K(o=-0.04,f=-0.77) USER MOD Single : A 56 GLN : amide:sc= -0.659 K(o=-0.66,f=-0.13) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00283) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= 0.0049 (180deg=-0.326) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 40:sc= 0.0755 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.633 -22.590 -2.601 1.00 0.00 N ATOM 2 CA GLY A 1 -18.265 -22.062 -2.599 1.00 0.00 C ATOM 3 C GLY A 1 -18.210 -20.631 -3.102 1.00 0.00 C ATOM 4 O GLY A 1 -19.234 -19.989 -3.338 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.903 -22.859 -1.633 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.286 -21.861 -2.952 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.682 -23.425 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.860 -22.107 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.632 -22.691 -3.225 1.00 0.00 H new ATOM 8 N SER A 2 -16.999 -20.122 -3.291 1.00 0.00 N ATOM 9 CA SER A 2 -16.739 -18.897 -4.040 1.00 0.00 C ATOM 10 C SER A 2 -16.155 -19.300 -5.401 1.00 0.00 C ATOM 11 O SER A 2 -15.657 -20.420 -5.547 1.00 0.00 O ATOM 12 CB SER A 2 -15.770 -17.998 -3.255 1.00 0.00 C ATOM 13 OG SER A 2 -16.157 -17.844 -1.895 1.00 0.00 O ATOM 0 H SER A 2 -16.153 -20.557 -2.921 1.00 0.00 H new ATOM 0 HA SER A 2 -17.656 -18.327 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.767 -18.423 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.722 -17.018 -3.730 1.00 0.00 H new ATOM 0 HG SER A 2 -15.512 -17.267 -1.435 1.00 0.00 H new ATOM 19 N SER A 3 -16.174 -18.412 -6.395 1.00 0.00 N ATOM 20 CA SER A 3 -15.674 -18.739 -7.729 1.00 0.00 C ATOM 21 C SER A 3 -14.153 -18.963 -7.748 1.00 0.00 C ATOM 22 O SER A 3 -13.658 -19.705 -8.598 1.00 0.00 O ATOM 23 CB SER A 3 -16.086 -17.639 -8.717 1.00 0.00 C ATOM 24 OG SER A 3 -16.569 -18.214 -9.917 1.00 0.00 O ATOM 0 H SER A 3 -16.530 -17.461 -6.301 1.00 0.00 H new ATOM 0 HA SER A 3 -16.124 -19.684 -8.034 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.856 -17.010 -8.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.233 -16.995 -8.932 1.00 0.00 H new ATOM 0 HG SER A 3 -16.830 -17.503 -10.539 1.00 0.00 H new ATOM 30 N GLY A 4 -13.412 -18.358 -6.817 1.00 0.00 N ATOM 31 CA GLY A 4 -11.959 -18.393 -6.769 1.00 0.00 C ATOM 32 C GLY A 4 -11.364 -17.340 -7.701 1.00 0.00 C ATOM 33 O GLY A 4 -12.079 -16.691 -8.473 1.00 0.00 O ATOM 0 H GLY A 4 -13.823 -17.816 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.619 -18.217 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.604 -19.383 -7.056 1.00 0.00 H new ATOM 37 N SER A 5 -10.051 -17.154 -7.612 1.00 0.00 N ATOM 38 CA SER A 5 -9.318 -16.151 -8.366 1.00 0.00 C ATOM 39 C SER A 5 -9.111 -16.660 -9.802 1.00 0.00 C ATOM 40 O SER A 5 -8.175 -17.418 -10.058 1.00 0.00 O ATOM 41 CB SER A 5 -8.010 -15.858 -7.610 1.00 0.00 C ATOM 42 OG SER A 5 -7.538 -14.547 -7.848 1.00 0.00 O ATOM 0 H SER A 5 -9.456 -17.711 -6.999 1.00 0.00 H new ATOM 0 HA SER A 5 -9.862 -15.210 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.172 -15.996 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.249 -16.577 -7.912 1.00 0.00 H new ATOM 0 HG SER A 5 -6.708 -14.403 -7.348 1.00 0.00 H new ATOM 48 N SER A 6 -9.976 -16.260 -10.740 1.00 0.00 N ATOM 49 CA SER A 6 -9.890 -16.588 -12.162 1.00 0.00 C ATOM 50 C SER A 6 -9.902 -15.291 -12.979 1.00 0.00 C ATOM 51 O SER A 6 -10.893 -14.956 -13.638 1.00 0.00 O ATOM 52 CB SER A 6 -11.022 -17.542 -12.567 1.00 0.00 C ATOM 53 OG SER A 6 -10.758 -18.876 -12.177 1.00 0.00 O ATOM 0 H SER A 6 -10.784 -15.678 -10.519 1.00 0.00 H new ATOM 0 HA SER A 6 -8.955 -17.110 -12.366 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.956 -17.210 -12.113 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.161 -17.501 -13.647 1.00 0.00 H new ATOM 0 HG SER A 6 -11.503 -19.451 -12.452 1.00 0.00 H new ATOM 59 N GLY A 7 -8.787 -14.557 -12.938 1.00 0.00 N ATOM 60 CA GLY A 7 -8.701 -13.210 -13.484 1.00 0.00 C ATOM 61 C GLY A 7 -9.447 -12.227 -12.583 1.00 0.00 C ATOM 62 O GLY A 7 -9.947 -12.601 -11.520 1.00 0.00 O ATOM 0 H GLY A 7 -7.916 -14.887 -12.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.656 -12.912 -13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.125 -13.189 -14.488 1.00 0.00 H new ATOM 66 N ASP A 8 -9.513 -10.962 -12.997 1.00 0.00 N ATOM 67 CA ASP A 8 -10.188 -9.895 -12.251 1.00 0.00 C ATOM 68 C ASP A 8 -10.784 -8.895 -13.248 1.00 0.00 C ATOM 69 O ASP A 8 -11.993 -8.714 -13.278 1.00 0.00 O ATOM 70 CB ASP A 8 -9.171 -9.257 -11.294 1.00 0.00 C ATOM 71 CG ASP A 8 -9.767 -8.490 -10.123 1.00 0.00 C ATOM 72 OD1 ASP A 8 -10.717 -7.701 -10.318 1.00 0.00 O ATOM 73 OD2 ASP A 8 -9.154 -8.567 -9.035 1.00 0.00 O ATOM 0 H ASP A 8 -9.094 -10.643 -13.871 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.012 -10.277 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.526 -10.042 -10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.536 -8.579 -11.865 1.00 0.00 H new ATOM 78 N ARG A 9 -9.941 -8.392 -14.164 1.00 0.00 N ATOM 79 CA ARG A 9 -10.192 -7.469 -15.282 1.00 0.00 C ATOM 80 C ARG A 9 -10.788 -6.123 -14.898 1.00 0.00 C ATOM 81 O ARG A 9 -11.497 -5.979 -13.907 1.00 0.00 O ATOM 82 CB ARG A 9 -11.052 -8.090 -16.392 1.00 0.00 C ATOM 83 CG ARG A 9 -10.405 -9.308 -17.054 1.00 0.00 C ATOM 84 CD ARG A 9 -10.991 -10.626 -16.545 1.00 0.00 C ATOM 85 NE ARG A 9 -12.391 -10.783 -16.957 1.00 0.00 N ATOM 86 CZ ARG A 9 -12.840 -11.203 -18.146 1.00 0.00 C ATOM 87 NH1 ARG A 9 -12.013 -11.505 -19.144 1.00 0.00 N ATOM 88 NH2 ARG A 9 -14.143 -11.338 -18.323 1.00 0.00 N ATOM 0 H ARG A 9 -8.955 -8.652 -14.135 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.185 -7.280 -15.655 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.015 -8.382 -15.974 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.250 -7.335 -17.153 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.540 -9.246 -18.134 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.332 -9.294 -16.866 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.402 -11.460 -16.927 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.924 -10.660 -15.458 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.099 -10.546 -16.262 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.005 -11.419 -19.015 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.387 -11.822 -20.038 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.786 -11.123 -17.561 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.505 -11.657 -19.222 1.00 0.00 H new ATOM 102 N VAL A 10 -10.518 -5.146 -15.767 1.00 0.00 N ATOM 103 CA VAL A 10 -10.751 -3.730 -15.551 1.00 0.00 C ATOM 104 C VAL A 10 -10.352 -3.408 -14.116 1.00 0.00 C ATOM 105 O VAL A 10 -11.181 -3.100 -13.266 1.00 0.00 O ATOM 106 CB VAL A 10 -12.182 -3.342 -15.963 1.00 0.00 C ATOM 107 CG1 VAL A 10 -12.408 -1.838 -15.797 1.00 0.00 C ATOM 108 CG2 VAL A 10 -12.436 -3.697 -17.438 1.00 0.00 C ATOM 0 H VAL A 10 -10.111 -5.338 -16.682 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.131 -3.104 -16.193 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.865 -3.895 -15.318 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.426 -1.588 -16.094 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.256 -1.560 -14.754 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.703 -1.293 -16.424 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.453 -3.415 -17.710 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.729 -3.158 -18.069 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.306 -4.770 -17.582 1.00 0.00 H new ATOM 118 N THR A 11 -9.053 -3.540 -13.850 1.00 0.00 N ATOM 119 CA THR A 11 -8.457 -3.175 -12.582 1.00 0.00 C ATOM 120 C THR A 11 -8.761 -1.699 -12.333 1.00 0.00 C ATOM 121 O THR A 11 -8.163 -0.840 -12.991 1.00 0.00 O ATOM 122 CB THR A 11 -6.950 -3.486 -12.612 1.00 0.00 C ATOM 123 OG1 THR A 11 -6.384 -3.134 -13.870 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.672 -4.973 -12.388 1.00 0.00 C ATOM 0 H THR A 11 -8.382 -3.909 -14.524 1.00 0.00 H new ATOM 0 HA THR A 11 -8.873 -3.753 -11.756 1.00 0.00 H new ATOM 0 HB THR A 11 -6.503 -2.901 -11.809 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.720 -2.255 -14.145 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.597 -5.150 -12.417 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.064 -5.274 -11.416 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.157 -5.556 -13.171 1.00 0.00 H new ATOM 132 N LEU A 12 -9.729 -1.416 -11.455 1.00 0.00 N ATOM 133 CA LEU A 12 -10.084 -0.060 -11.056 1.00 0.00 C ATOM 134 C LEU A 12 -8.854 0.610 -10.449 1.00 0.00 C ATOM 135 O LEU A 12 -7.921 -0.079 -10.035 1.00 0.00 O ATOM 136 CB LEU A 12 -11.219 -0.052 -10.021 1.00 0.00 C ATOM 137 CG LEU A 12 -12.639 -0.215 -10.593 1.00 0.00 C ATOM 138 CD1 LEU A 12 -13.042 -1.689 -10.658 1.00 0.00 C ATOM 139 CD2 LEU A 12 -13.643 0.539 -9.710 1.00 0.00 C ATOM 0 H LEU A 12 -10.292 -2.134 -10.999 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.428 0.478 -11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.040 -0.854 -9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.175 0.885 -9.466 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.644 0.195 -11.603 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.049 -1.773 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.345 -2.229 -11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.020 -2.117 -9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.647 0.421 -10.118 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.613 0.135 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.383 1.597 -9.686 1.00 0.00 H new ATOM 151 N GLU A 13 -8.855 1.941 -10.349 1.00 0.00 N ATOM 152 CA GLU A 13 -7.698 2.702 -9.897 1.00 0.00 C ATOM 153 C GLU A 13 -7.141 2.175 -8.573 1.00 0.00 C ATOM 154 O GLU A 13 -5.939 1.941 -8.500 1.00 0.00 O ATOM 155 CB GLU A 13 -8.019 4.198 -9.779 1.00 0.00 C ATOM 156 CG GLU A 13 -8.176 4.953 -11.106 1.00 0.00 C ATOM 157 CD GLU A 13 -9.527 4.803 -11.822 1.00 0.00 C ATOM 158 OE1 GLU A 13 -10.447 4.088 -11.359 1.00 0.00 O ATOM 159 OE2 GLU A 13 -9.668 5.424 -12.902 1.00 0.00 O ATOM 0 H GLU A 13 -9.663 2.519 -10.581 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.928 2.572 -10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.941 4.309 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.227 4.676 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.005 6.013 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.391 4.619 -11.784 1.00 0.00 H new ATOM 166 N VAL A 14 -7.978 1.945 -7.553 1.00 0.00 N ATOM 167 CA VAL A 14 -7.512 1.426 -6.269 1.00 0.00 C ATOM 168 C VAL A 14 -6.825 0.068 -6.466 1.00 0.00 C ATOM 169 O VAL A 14 -5.643 -0.039 -6.156 1.00 0.00 O ATOM 170 CB VAL A 14 -8.666 1.460 -5.248 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.388 0.721 -3.947 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.932 2.908 -4.817 1.00 0.00 C ATOM 0 H VAL A 14 -8.983 2.112 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.737 2.060 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.497 0.982 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.255 0.799 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.188 -0.329 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.521 1.163 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.748 2.929 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.033 3.323 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.204 3.503 -5.689 1.00 0.00 H new ATOM 182 N GLY A 15 -7.503 -0.952 -6.996 1.00 0.00 N ATOM 183 CA GLY A 15 -6.939 -2.273 -7.223 1.00 0.00 C ATOM 184 C GLY A 15 -5.676 -2.250 -8.076 1.00 0.00 C ATOM 185 O GLY A 15 -4.697 -2.893 -7.699 1.00 0.00 O ATOM 0 H GLY A 15 -8.479 -0.876 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.712 -2.734 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.686 -2.901 -7.709 1.00 0.00 H new ATOM 189 N LYS A 16 -5.661 -1.505 -9.187 1.00 0.00 N ATOM 190 CA LYS A 16 -4.469 -1.346 -10.017 1.00 0.00 C ATOM 191 C LYS A 16 -3.330 -0.799 -9.169 1.00 0.00 C ATOM 192 O LYS A 16 -2.269 -1.415 -9.146 1.00 0.00 O ATOM 193 CB LYS A 16 -4.739 -0.457 -11.240 1.00 0.00 C ATOM 194 CG LYS A 16 -3.469 -0.301 -12.094 1.00 0.00 C ATOM 195 CD LYS A 16 -3.829 0.152 -13.511 1.00 0.00 C ATOM 196 CE LYS A 16 -2.604 0.620 -14.307 1.00 0.00 C ATOM 197 NZ LYS A 16 -1.652 -0.467 -14.630 1.00 0.00 N ATOM 0 H LYS A 16 -6.475 -0.997 -9.533 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.183 -2.324 -10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.536 -0.892 -11.842 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.085 0.523 -10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.800 0.425 -11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.932 -1.249 -12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.310 -0.670 -14.041 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.554 0.964 -13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.940 1.084 -15.234 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.083 1.389 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.851 -0.079 -15.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.303 -0.896 -13.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.133 -1.191 -15.201 1.00 0.00 H new ATOM 211 N VAL A 17 -3.537 0.330 -8.490 1.00 0.00 N ATOM 212 CA VAL A 17 -2.507 0.983 -7.697 1.00 0.00 C ATOM 213 C VAL A 17 -2.040 0.067 -6.561 1.00 0.00 C ATOM 214 O VAL A 17 -0.850 0.049 -6.256 1.00 0.00 O ATOM 215 CB VAL A 17 -3.034 2.342 -7.189 1.00 0.00 C ATOM 216 CG1 VAL A 17 -2.027 3.003 -6.271 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.278 3.346 -8.337 1.00 0.00 C ATOM 0 H VAL A 17 -4.433 0.817 -8.478 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.631 1.179 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.968 2.115 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.421 3.959 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.838 2.358 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.095 3.169 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.648 4.285 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.343 3.525 -8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.015 2.937 -9.028 1.00 0.00 H new ATOM 227 N ILE A 18 -2.941 -0.698 -5.939 1.00 0.00 N ATOM 228 CA ILE A 18 -2.601 -1.666 -4.906 1.00 0.00 C ATOM 229 C ILE A 18 -1.669 -2.700 -5.526 1.00 0.00 C ATOM 230 O ILE A 18 -0.531 -2.821 -5.077 1.00 0.00 O ATOM 231 CB ILE A 18 -3.873 -2.269 -4.254 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.564 -1.178 -3.412 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.500 -3.444 -3.317 1.00 0.00 C ATOM 234 CD1 ILE A 18 -6.014 -1.505 -3.057 1.00 0.00 C ATOM 0 H ILE A 18 -3.939 -0.658 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.076 -1.188 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.533 -2.633 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.999 -1.028 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.537 -0.236 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.405 -3.854 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.995 -4.221 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.836 -3.085 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.435 -0.693 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.594 -1.626 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.048 -2.430 -2.481 1.00 0.00 H new ATOM 246 N GLN A 19 -2.132 -3.431 -6.539 1.00 0.00 N ATOM 247 CA GLN A 19 -1.412 -4.514 -7.189 1.00 0.00 C ATOM 248 C GLN A 19 -0.023 -4.029 -7.640 1.00 0.00 C ATOM 249 O GLN A 19 0.986 -4.679 -7.369 1.00 0.00 O ATOM 250 CB GLN A 19 -2.294 -5.020 -8.344 1.00 0.00 C ATOM 251 CG GLN A 19 -1.822 -6.332 -8.976 1.00 0.00 C ATOM 252 CD GLN A 19 -2.826 -6.818 -10.020 1.00 0.00 C ATOM 253 OE1 GLN A 19 -3.104 -6.128 -10.999 1.00 0.00 O ATOM 254 NE2 GLN A 19 -3.373 -8.014 -9.873 1.00 0.00 N ATOM 0 H GLN A 19 -3.056 -3.275 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.223 -5.346 -6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.311 -5.154 -7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.334 -4.253 -9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.847 -6.188 -9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.697 -7.090 -8.203 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.141 -8.585 -9.060 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.027 -8.365 -10.573 1.00 0.00 H new ATOM 263 N GLN A 20 0.042 -2.849 -8.260 1.00 0.00 N ATOM 264 CA GLN A 20 1.257 -2.176 -8.684 1.00 0.00 C ATOM 265 C GLN A 20 2.181 -1.885 -7.508 1.00 0.00 C ATOM 266 O GLN A 20 3.333 -2.313 -7.515 1.00 0.00 O ATOM 267 CB GLN A 20 0.856 -0.867 -9.375 1.00 0.00 C ATOM 268 CG GLN A 20 0.470 -1.102 -10.844 1.00 0.00 C ATOM 269 CD GLN A 20 1.719 -1.108 -11.714 1.00 0.00 C ATOM 270 OE1 GLN A 20 2.204 -0.055 -12.131 1.00 0.00 O ATOM 271 NE2 GLN A 20 2.267 -2.272 -12.001 1.00 0.00 N ATOM 0 H GLN A 20 -0.797 -2.316 -8.488 1.00 0.00 H new ATOM 0 HA GLN A 20 1.805 -2.824 -9.368 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.017 -0.416 -8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.683 -0.159 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.057 -2.051 -10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.213 -0.321 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.851 -3.133 -11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.107 -2.312 -12.578 1.00 0.00 H new ATOM 280 N GLY A 21 1.703 -1.131 -6.518 1.00 0.00 N ATOM 281 CA GLY A 21 2.461 -0.757 -5.340 1.00 0.00 C ATOM 282 C GLY A 21 3.056 -1.987 -4.679 1.00 0.00 C ATOM 283 O GLY A 21 4.269 -2.026 -4.457 1.00 0.00 O ATOM 0 H GLY A 21 0.754 -0.758 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.256 -0.065 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.815 -0.235 -4.635 1.00 0.00 H new ATOM 287 N ARG A 22 2.225 -3.000 -4.416 1.00 0.00 N ATOM 288 CA ARG A 22 2.644 -4.277 -3.874 1.00 0.00 C ATOM 289 C ARG A 22 3.841 -4.804 -4.662 1.00 0.00 C ATOM 290 O ARG A 22 4.927 -4.961 -4.097 1.00 0.00 O ATOM 291 CB ARG A 22 1.484 -5.288 -3.967 1.00 0.00 C ATOM 292 CG ARG A 22 0.345 -5.152 -2.975 1.00 0.00 C ATOM 293 CD ARG A 22 -0.305 -6.509 -2.666 1.00 0.00 C ATOM 294 NE ARG A 22 -1.020 -7.117 -3.807 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.570 -7.860 -4.832 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.710 -8.192 -4.987 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.436 -8.286 -5.734 1.00 0.00 N ATOM 0 H ARG A 22 1.220 -2.944 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 22 2.927 -4.145 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.063 -5.223 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.903 -6.289 -3.861 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.718 -4.708 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.406 -4.471 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.467 -7.199 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.005 -6.383 -1.840 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.025 -6.943 -3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.404 -7.879 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.997 -8.759 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.424 -8.049 -5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.117 -8.851 -6.521 1.00 0.00 H new ATOM 311 N GLN A 23 3.660 -5.053 -5.960 1.00 0.00 N ATOM 312 CA GLN A 23 4.671 -5.602 -6.833 1.00 0.00 C ATOM 313 C GLN A 23 5.936 -4.743 -6.865 1.00 0.00 C ATOM 314 O GLN A 23 7.027 -5.294 -7.000 1.00 0.00 O ATOM 315 CB GLN A 23 4.062 -5.699 -8.233 1.00 0.00 C ATOM 316 CG GLN A 23 3.089 -6.874 -8.389 1.00 0.00 C ATOM 317 CD GLN A 23 2.451 -6.896 -9.779 1.00 0.00 C ATOM 318 OE1 GLN A 23 2.056 -5.864 -10.328 1.00 0.00 O ATOM 319 NE2 GLN A 23 2.359 -8.053 -10.406 1.00 0.00 N ATOM 0 H GLN A 23 2.777 -4.869 -6.436 1.00 0.00 H new ATOM 0 HA GLN A 23 4.973 -6.582 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.539 -4.770 -8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.864 -5.800 -8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.618 -7.811 -8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.309 -6.804 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.685 -8.906 -9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.961 -8.094 -11.344 1.00 0.00 H new ATOM 328 N SER A 24 5.842 -3.417 -6.743 1.00 0.00 N ATOM 329 CA SER A 24 6.994 -2.541 -6.916 1.00 0.00 C ATOM 330 C SER A 24 7.988 -2.673 -5.752 1.00 0.00 C ATOM 331 O SER A 24 9.192 -2.523 -5.969 1.00 0.00 O ATOM 332 CB SER A 24 6.527 -1.092 -7.132 1.00 0.00 C ATOM 333 OG SER A 24 7.303 -0.466 -8.143 1.00 0.00 O ATOM 0 H SER A 24 4.974 -2.928 -6.524 1.00 0.00 H new ATOM 0 HA SER A 24 7.537 -2.851 -7.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.474 -1.081 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.613 -0.533 -6.200 1.00 0.00 H new ATOM 0 HG SER A 24 6.993 0.455 -8.270 1.00 0.00 H new ATOM 339 N LYS A 25 7.532 -3.015 -4.539 1.00 0.00 N ATOM 340 CA LYS A 25 8.422 -3.431 -3.444 1.00 0.00 C ATOM 341 C LYS A 25 8.562 -4.949 -3.372 1.00 0.00 C ATOM 342 O LYS A 25 9.259 -5.461 -2.497 1.00 0.00 O ATOM 343 CB LYS A 25 7.961 -2.835 -2.105 1.00 0.00 C ATOM 344 CG LYS A 25 8.402 -1.378 -2.000 1.00 0.00 C ATOM 345 CD LYS A 25 7.905 -0.786 -0.677 1.00 0.00 C ATOM 346 CE LYS A 25 7.550 0.682 -0.865 1.00 0.00 C ATOM 347 NZ LYS A 25 8.719 1.583 -0.789 1.00 0.00 N ATOM 0 H LYS A 25 6.543 -3.012 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 25 9.415 -3.035 -3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.876 -2.902 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.379 -3.410 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.489 -1.311 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.005 -0.806 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.033 -1.338 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.674 -0.888 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.065 0.810 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.826 0.973 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.409 2.566 -0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.170 1.488 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.402 1.330 -1.532 1.00 0.00 H new ATOM 361 N GLY A 26 7.943 -5.683 -4.293 1.00 0.00 N ATOM 362 CA GLY A 26 7.945 -7.127 -4.286 1.00 0.00 C ATOM 363 C GLY A 26 7.286 -7.662 -3.025 1.00 0.00 C ATOM 364 O GLY A 26 7.825 -8.566 -2.386 1.00 0.00 O ATOM 0 H GLY A 26 7.422 -5.278 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.417 -7.500 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.969 -7.494 -4.350 1.00 0.00 H new ATOM 368 N LEU A 27 6.154 -7.078 -2.633 1.00 0.00 N ATOM 369 CA LEU A 27 5.362 -7.475 -1.477 1.00 0.00 C ATOM 370 C LEU A 27 4.062 -8.103 -1.978 1.00 0.00 C ATOM 371 O LEU A 27 3.641 -7.904 -3.122 1.00 0.00 O ATOM 372 CB LEU A 27 5.107 -6.264 -0.561 1.00 0.00 C ATOM 373 CG LEU A 27 6.393 -5.591 -0.039 1.00 0.00 C ATOM 374 CD1 LEU A 27 6.079 -4.277 0.680 1.00 0.00 C ATOM 375 CD2 LEU A 27 7.151 -6.508 0.922 1.00 0.00 C ATOM 0 H LEU A 27 5.751 -6.286 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 27 5.899 -8.211 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.519 -5.526 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.506 -6.585 0.290 1.00 0.00 H new ATOM 0 HG LEU A 27 7.016 -5.388 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.006 -3.827 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.585 -3.593 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.422 -4.474 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.052 -6.004 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.515 -6.747 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.427 -7.428 0.406 1.00 0.00 H new ATOM 387 N THR A 28 3.431 -8.884 -1.108 1.00 0.00 N ATOM 388 CA THR A 28 2.299 -9.738 -1.429 1.00 0.00 C ATOM 389 C THR A 28 1.058 -9.278 -0.656 1.00 0.00 C ATOM 390 O THR A 28 1.166 -8.470 0.273 1.00 0.00 O ATOM 391 CB THR A 28 2.706 -11.199 -1.202 1.00 0.00 C ATOM 392 OG1 THR A 28 1.644 -12.045 -1.559 1.00 0.00 O ATOM 393 CG2 THR A 28 3.057 -11.456 0.255 1.00 0.00 C ATOM 0 H THR A 28 3.705 -8.940 -0.127 1.00 0.00 H new ATOM 0 HA THR A 28 2.017 -9.660 -2.479 1.00 0.00 H new ATOM 0 HB THR A 28 3.583 -11.400 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.906 -12.978 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.341 -12.501 0.382 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.889 -10.816 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.193 -11.236 0.882 1.00 0.00 H new ATOM 401 N GLN A 29 -0.119 -9.812 -0.995 1.00 0.00 N ATOM 402 CA GLN A 29 -1.369 -9.572 -0.287 1.00 0.00 C ATOM 403 C GLN A 29 -1.226 -9.916 1.196 1.00 0.00 C ATOM 404 O GLN A 29 -1.621 -9.112 2.036 1.00 0.00 O ATOM 405 CB GLN A 29 -2.501 -10.376 -0.937 1.00 0.00 C ATOM 406 CG GLN A 29 -2.801 -9.864 -2.356 1.00 0.00 C ATOM 407 CD GLN A 29 -3.885 -10.672 -3.061 1.00 0.00 C ATOM 408 OE1 GLN A 29 -4.146 -11.817 -2.721 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.539 -10.101 -4.052 1.00 0.00 N ATOM 0 H GLN A 29 -0.226 -10.440 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.616 -8.513 -0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.225 -11.430 -0.978 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.400 -10.305 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.110 -8.820 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.887 -9.896 -2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.314 -9.145 -4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.271 -10.615 -4.543 1.00 0.00 H new ATOM 418 N LYS A 30 -0.600 -11.050 1.543 1.00 0.00 N ATOM 419 CA LYS A 30 -0.306 -11.386 2.939 1.00 0.00 C ATOM 420 C LYS A 30 0.513 -10.294 3.624 1.00 0.00 C ATOM 421 O LYS A 30 0.255 -10.018 4.792 1.00 0.00 O ATOM 422 CB LYS A 30 0.395 -12.756 3.043 1.00 0.00 C ATOM 423 CG LYS A 30 -0.545 -13.922 3.408 1.00 0.00 C ATOM 424 CD LYS A 30 -0.602 -14.262 4.912 1.00 0.00 C ATOM 425 CE LYS A 30 -1.339 -13.246 5.798 1.00 0.00 C ATOM 426 NZ LYS A 30 -0.468 -12.231 6.426 1.00 0.00 N ATOM 0 H LYS A 30 -0.287 -11.751 0.871 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.258 -11.454 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.877 -12.978 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.184 -12.692 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.551 -13.679 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.228 -14.810 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.083 -15.233 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.418 -14.365 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.092 -12.737 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.870 -13.786 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.956 -11.813 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.416 -12.679 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.250 -11.485 5.735 1.00 0.00 H new ATOM 440 N ASP A 31 1.489 -9.684 2.951 1.00 0.00 N ATOM 441 CA ASP A 31 2.353 -8.685 3.579 1.00 0.00 C ATOM 442 C ASP A 31 1.630 -7.361 3.743 1.00 0.00 C ATOM 443 O ASP A 31 1.799 -6.702 4.766 1.00 0.00 O ATOM 444 CB ASP A 31 3.668 -8.493 2.801 1.00 0.00 C ATOM 445 CG ASP A 31 4.794 -9.335 3.405 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.525 -10.360 4.072 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.965 -8.913 3.266 1.00 0.00 O ATOM 0 H ASP A 31 1.701 -9.865 1.970 1.00 0.00 H new ATOM 0 HA ASP A 31 2.609 -9.061 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.521 -8.772 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.951 -7.440 2.813 1.00 0.00 H new ATOM 452 N LEU A 32 0.799 -6.991 2.769 1.00 0.00 N ATOM 453 CA LEU A 32 -0.081 -5.830 2.823 1.00 0.00 C ATOM 454 C LEU A 32 -1.031 -5.988 4.012 1.00 0.00 C ATOM 455 O LEU A 32 -1.149 -5.085 4.835 1.00 0.00 O ATOM 456 CB LEU A 32 -0.856 -5.768 1.492 1.00 0.00 C ATOM 457 CG LEU A 32 -1.411 -4.397 1.074 1.00 0.00 C ATOM 458 CD1 LEU A 32 -2.122 -3.622 2.179 1.00 0.00 C ATOM 459 CD2 LEU A 32 -0.303 -3.515 0.505 1.00 0.00 C ATOM 0 H LEU A 32 0.719 -7.509 1.894 1.00 0.00 H new ATOM 0 HA LEU A 32 0.479 -4.904 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.198 -6.124 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.690 -6.468 1.552 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.162 -4.632 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.477 -2.670 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.970 -4.203 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.428 -3.439 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.719 -2.550 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.468 -3.366 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.134 -3.998 -0.369 1.00 0.00 H new ATOM 471 N ALA A 33 -1.662 -7.160 4.123 1.00 0.00 N ATOM 472 CA ALA A 33 -2.569 -7.522 5.196 1.00 0.00 C ATOM 473 C ALA A 33 -1.866 -7.355 6.541 1.00 0.00 C ATOM 474 O ALA A 33 -2.402 -6.693 7.422 1.00 0.00 O ATOM 475 CB ALA A 33 -3.053 -8.952 4.969 1.00 0.00 C ATOM 0 H ALA A 33 -1.545 -7.906 3.437 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.440 -6.867 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.736 -9.236 5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.570 -9.013 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.199 -9.629 4.964 1.00 0.00 H new ATOM 481 N THR A 34 -0.656 -7.892 6.705 1.00 0.00 N ATOM 482 CA THR A 34 0.144 -7.684 7.905 1.00 0.00 C ATOM 483 C THR A 34 0.413 -6.188 8.133 1.00 0.00 C ATOM 484 O THR A 34 0.250 -5.702 9.253 1.00 0.00 O ATOM 485 CB THR A 34 1.425 -8.525 7.777 1.00 0.00 C ATOM 486 OG1 THR A 34 1.088 -9.899 7.700 1.00 0.00 O ATOM 487 CG2 THR A 34 2.402 -8.358 8.943 1.00 0.00 C ATOM 0 H THR A 34 -0.206 -8.484 6.007 1.00 0.00 H new ATOM 0 HA THR A 34 -0.394 -8.016 8.793 1.00 0.00 H new ATOM 0 HB THR A 34 1.919 -8.167 6.874 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.893 -10.136 6.769 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.278 -8.984 8.776 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.710 -7.315 9.013 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.915 -8.656 9.871 1.00 0.00 H new ATOM 495 N LYS A 35 0.784 -5.430 7.097 1.00 0.00 N ATOM 496 CA LYS A 35 1.073 -4.007 7.205 1.00 0.00 C ATOM 497 C LYS A 35 -0.132 -3.178 7.655 1.00 0.00 C ATOM 498 O LYS A 35 0.096 -2.148 8.281 1.00 0.00 O ATOM 499 CB LYS A 35 1.630 -3.495 5.868 1.00 0.00 C ATOM 500 CG LYS A 35 3.141 -3.748 5.739 1.00 0.00 C ATOM 501 CD LYS A 35 3.768 -2.877 4.644 1.00 0.00 C ATOM 502 CE LYS A 35 5.131 -3.381 4.154 1.00 0.00 C ATOM 503 NZ LYS A 35 6.110 -3.586 5.242 1.00 0.00 N ATOM 0 H LYS A 35 0.892 -5.797 6.151 1.00 0.00 H new ATOM 0 HA LYS A 35 1.822 -3.884 7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.109 -3.986 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.432 -2.427 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.628 -3.541 6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.316 -4.800 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.084 -2.827 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.882 -1.861 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.991 -4.321 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.538 -2.666 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.023 -3.877 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.233 -2.699 5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.764 -4.327 5.885 1.00 0.00 H new ATOM 517 N ILE A 36 -1.374 -3.594 7.397 1.00 0.00 N ATOM 518 CA ILE A 36 -2.580 -2.896 7.862 1.00 0.00 C ATOM 519 C ILE A 36 -3.303 -3.653 8.987 1.00 0.00 C ATOM 520 O ILE A 36 -4.379 -3.230 9.407 1.00 0.00 O ATOM 521 CB ILE A 36 -3.504 -2.547 6.683 1.00 0.00 C ATOM 522 CG1 ILE A 36 -4.172 -3.776 6.049 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.777 -1.694 5.636 1.00 0.00 C ATOM 524 CD1 ILE A 36 -5.204 -3.375 4.995 1.00 0.00 C ATOM 0 H ILE A 36 -1.575 -4.434 6.854 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.262 -1.954 8.308 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.315 -1.950 7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.411 -4.409 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.656 -4.369 6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.458 -1.465 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.437 -0.766 6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.918 -2.244 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.655 -4.271 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.978 -2.764 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.715 -2.804 4.206 1.00 0.00 H new ATOM 536 N ASN A 37 -2.715 -4.743 9.487 1.00 0.00 N ATOM 537 CA ASN A 37 -3.303 -5.675 10.448 1.00 0.00 C ATOM 538 C ASN A 37 -4.722 -6.123 10.051 1.00 0.00 C ATOM 539 O ASN A 37 -5.708 -5.893 10.757 1.00 0.00 O ATOM 540 CB ASN A 37 -3.216 -5.105 11.869 1.00 0.00 C ATOM 541 CG ASN A 37 -3.714 -6.112 12.895 1.00 0.00 C ATOM 542 OD1 ASN A 37 -3.503 -7.314 12.751 1.00 0.00 O ATOM 543 ND2 ASN A 37 -4.383 -5.655 13.932 1.00 0.00 N ATOM 0 H ASN A 37 -1.768 -5.011 9.218 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.713 -6.591 10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.184 -4.833 12.093 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.807 -4.192 11.935 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.738 -6.303 14.636 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.547 -4.653 14.032 1.00 0.00 H new ATOM 550 N GLU A 38 -4.816 -6.788 8.903 1.00 0.00 N ATOM 551 CA GLU A 38 -6.021 -7.382 8.327 1.00 0.00 C ATOM 552 C GLU A 38 -5.705 -8.808 7.852 1.00 0.00 C ATOM 553 O GLU A 38 -4.578 -9.292 8.013 1.00 0.00 O ATOM 554 CB GLU A 38 -6.514 -6.501 7.164 1.00 0.00 C ATOM 555 CG GLU A 38 -7.167 -5.188 7.633 1.00 0.00 C ATOM 556 CD GLU A 38 -8.405 -5.381 8.512 1.00 0.00 C ATOM 557 OE1 GLU A 38 -9.142 -6.376 8.300 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.687 -4.520 9.375 1.00 0.00 O ATOM 0 H GLU A 38 -3.999 -6.937 8.311 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.813 -7.438 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.673 -6.268 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.233 -7.065 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.430 -4.606 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.445 -4.601 6.758 1.00 0.00 H new ATOM 565 N LYS A 39 -6.688 -9.522 7.294 1.00 0.00 N ATOM 566 CA LYS A 39 -6.500 -10.802 6.596 1.00 0.00 C ATOM 567 C LYS A 39 -6.168 -10.546 5.125 1.00 0.00 C ATOM 568 O LYS A 39 -6.590 -9.536 4.569 1.00 0.00 O ATOM 569 CB LYS A 39 -7.792 -11.628 6.702 1.00 0.00 C ATOM 570 CG LYS A 39 -8.128 -12.031 8.149 1.00 0.00 C ATOM 571 CD LYS A 39 -7.207 -13.111 8.746 1.00 0.00 C ATOM 572 CE LYS A 39 -7.221 -13.115 10.279 1.00 0.00 C ATOM 573 NZ LYS A 39 -8.558 -13.352 10.867 1.00 0.00 N ATOM 0 H LYS A 39 -7.662 -9.220 7.315 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.677 -11.351 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.620 -11.052 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.694 -12.527 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.080 -11.143 8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.156 -12.391 8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.517 -14.090 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.188 -12.948 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.536 -13.884 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.842 -12.158 10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.488 -13.341 11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.211 -12.605 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.916 -14.277 10.554 1.00 0.00 H new ATOM 587 N PRO A 40 -5.452 -11.461 4.457 1.00 0.00 N ATOM 588 CA PRO A 40 -5.147 -11.326 3.038 1.00 0.00 C ATOM 589 C PRO A 40 -6.409 -11.454 2.181 1.00 0.00 C ATOM 590 O PRO A 40 -6.488 -10.819 1.131 1.00 0.00 O ATOM 591 CB PRO A 40 -4.091 -12.393 2.757 1.00 0.00 C ATOM 592 CG PRO A 40 -4.329 -13.457 3.829 1.00 0.00 C ATOM 593 CD PRO A 40 -4.911 -12.691 5.007 1.00 0.00 C ATOM 0 HA PRO A 40 -4.761 -10.340 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.202 -12.807 1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.084 -11.982 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.016 -14.227 3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.401 -13.959 4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.688 -13.271 5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.144 -12.481 5.753 1.00 0.00 H new ATOM 601 N GLN A 41 -7.424 -12.171 2.676 1.00 0.00 N ATOM 602 CA GLN A 41 -8.695 -12.358 1.996 1.00 0.00 C ATOM 603 C GLN A 41 -9.424 -11.036 1.742 1.00 0.00 C ATOM 604 O GLN A 41 -10.171 -10.947 0.767 1.00 0.00 O ATOM 605 CB GLN A 41 -9.576 -13.293 2.842 1.00 0.00 C ATOM 606 CG GLN A 41 -10.647 -14.022 2.017 1.00 0.00 C ATOM 607 CD GLN A 41 -10.005 -15.049 1.089 1.00 0.00 C ATOM 608 OE1 GLN A 41 -9.392 -16.010 1.548 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.062 -14.852 -0.213 1.00 0.00 N ATOM 0 H GLN A 41 -7.376 -12.644 3.579 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.495 -12.799 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.943 -14.030 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.062 -12.713 3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.352 -14.518 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.216 -13.300 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.573 -14.052 -0.586 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.595 -15.500 -0.848 1.00 0.00 H new ATOM 618 N VAL A 42 -9.246 -10.012 2.589 1.00 0.00 N ATOM 619 CA VAL A 42 -9.833 -8.712 2.284 1.00 0.00 C ATOM 620 C VAL A 42 -8.964 -7.978 1.267 1.00 0.00 C ATOM 621 O VAL A 42 -9.523 -7.323 0.400 1.00 0.00 O ATOM 622 CB VAL A 42 -10.192 -7.885 3.537 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.220 -8.643 4.393 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.017 -7.501 4.440 1.00 0.00 C ATOM 0 H VAL A 42 -8.718 -10.059 3.460 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.805 -8.877 1.818 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.589 -6.953 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.467 -8.051 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.123 -8.817 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.800 -9.599 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.384 -6.923 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.526 -8.404 4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.304 -6.902 3.874 1.00 0.00 H new ATOM 634 N ILE A 43 -7.630 -8.108 1.299 1.00 0.00 N ATOM 635 CA ILE A 43 -6.752 -7.434 0.332 1.00 0.00 C ATOM 636 C ILE A 43 -7.079 -7.901 -1.088 1.00 0.00 C ATOM 637 O ILE A 43 -7.206 -7.076 -1.993 1.00 0.00 O ATOM 638 CB ILE A 43 -5.254 -7.645 0.655 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.901 -7.348 2.123 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.361 -6.806 -0.281 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.290 -5.957 2.631 1.00 0.00 C ATOM 0 H ILE A 43 -7.134 -8.676 1.986 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.939 -6.363 0.405 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.060 -8.704 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.387 -8.094 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.826 -7.474 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.313 -6.974 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.539 -7.101 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.598 -5.749 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.995 -5.856 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.783 -5.197 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.369 -5.826 2.544 1.00 0.00 H new ATOM 653 N ALA A 44 -7.254 -9.210 -1.274 1.00 0.00 N ATOM 654 CA ALA A 44 -7.639 -9.775 -2.559 1.00 0.00 C ATOM 655 C ALA A 44 -8.958 -9.192 -3.081 1.00 0.00 C ATOM 656 O ALA A 44 -9.146 -9.075 -4.299 1.00 0.00 O ATOM 657 CB ALA A 44 -7.711 -11.297 -2.425 1.00 0.00 C ATOM 0 H ALA A 44 -7.132 -9.904 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.884 -9.509 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.999 -11.733 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.735 -11.683 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.450 -11.561 -1.669 1.00 0.00 H new ATOM 663 N ASP A 45 -9.856 -8.804 -2.175 1.00 0.00 N ATOM 664 CA ASP A 45 -11.145 -8.209 -2.508 1.00 0.00 C ATOM 665 C ASP A 45 -11.055 -6.686 -2.630 1.00 0.00 C ATOM 666 O ASP A 45 -11.839 -6.106 -3.379 1.00 0.00 O ATOM 667 CB ASP A 45 -12.202 -8.617 -1.473 1.00 0.00 C ATOM 668 CG ASP A 45 -12.777 -10.014 -1.713 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.399 -10.731 -2.660 1.00 0.00 O ATOM 670 OD2 ASP A 45 -13.633 -10.440 -0.909 1.00 0.00 O ATOM 0 H ASP A 45 -9.702 -8.897 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.446 -8.590 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.759 -8.580 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.014 -7.890 -1.487 1.00 0.00 H new ATOM 675 N TYR A 46 -10.094 -6.019 -1.984 1.00 0.00 N ATOM 676 CA TYR A 46 -9.749 -4.623 -2.248 1.00 0.00 C ATOM 677 C TYR A 46 -9.242 -4.501 -3.685 1.00 0.00 C ATOM 678 O TYR A 46 -9.663 -3.598 -4.412 1.00 0.00 O ATOM 679 CB TYR A 46 -8.694 -4.095 -1.255 1.00 0.00 C ATOM 680 CG TYR A 46 -9.263 -3.448 -0.005 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.616 -2.089 -0.035 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.418 -4.169 1.193 1.00 0.00 C ATOM 683 CE1 TYR A 46 -10.179 -1.476 1.093 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.990 -3.566 2.327 1.00 0.00 C ATOM 685 CZ TYR A 46 -10.394 -2.214 2.269 1.00 0.00 C ATOM 686 OH TYR A 46 -10.948 -1.593 3.338 1.00 0.00 O ATOM 0 H TYR A 46 -9.526 -6.443 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.642 -4.013 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.050 -4.922 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.064 -3.369 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.453 -1.512 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.094 -5.198 1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.449 -0.431 1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.120 -4.133 3.237 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.865 -1.324 3.121 1.00 0.00 H new ATOM 696 N GLU A 47 -8.378 -5.426 -4.115 1.00 0.00 N ATOM 697 CA GLU A 47 -7.932 -5.520 -5.500 1.00 0.00 C ATOM 698 C GLU A 47 -9.121 -5.755 -6.433 1.00 0.00 C ATOM 699 O GLU A 47 -9.234 -5.061 -7.444 1.00 0.00 O ATOM 700 CB GLU A 47 -6.854 -6.603 -5.649 1.00 0.00 C ATOM 701 CG GLU A 47 -5.460 -6.032 -5.350 1.00 0.00 C ATOM 702 CD GLU A 47 -4.404 -7.131 -5.318 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.195 -7.841 -6.327 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.747 -7.338 -4.281 1.00 0.00 O ATOM 0 H GLU A 47 -7.968 -6.133 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.478 -4.573 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.066 -7.429 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.876 -7.008 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.197 -5.295 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.476 -5.512 -4.392 1.00 0.00 H new ATOM 711 N SER A 48 -10.053 -6.643 -6.072 1.00 0.00 N ATOM 712 CA SER A 48 -11.212 -6.922 -6.919 1.00 0.00 C ATOM 713 C SER A 48 -12.141 -5.707 -7.032 1.00 0.00 C ATOM 714 O SER A 48 -12.707 -5.458 -8.098 1.00 0.00 O ATOM 715 CB SER A 48 -12.012 -8.089 -6.349 1.00 0.00 C ATOM 716 OG SER A 48 -11.222 -9.253 -6.157 1.00 0.00 O ATOM 0 H SER A 48 -10.026 -7.177 -5.203 1.00 0.00 H new ATOM 0 HA SER A 48 -10.831 -7.168 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.452 -7.792 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.837 -8.322 -7.022 1.00 0.00 H new ATOM 0 HG SER A 48 -10.539 -9.076 -5.477 1.00 0.00 H new ATOM 722 N GLY A 49 -12.307 -4.955 -5.945 1.00 0.00 N ATOM 723 CA GLY A 49 -13.311 -3.906 -5.832 1.00 0.00 C ATOM 724 C GLY A 49 -14.565 -4.414 -5.125 1.00 0.00 C ATOM 725 O GLY A 49 -15.669 -3.985 -5.442 1.00 0.00 O ATOM 0 H GLY A 49 -11.737 -5.062 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.897 -3.061 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.573 -3.542 -6.825 1.00 0.00 H new ATOM 729 N ARG A 50 -14.413 -5.390 -4.229 1.00 0.00 N ATOM 730 CA ARG A 50 -15.497 -6.118 -3.581 1.00 0.00 C ATOM 731 C ARG A 50 -15.587 -5.781 -2.099 1.00 0.00 C ATOM 732 O ARG A 50 -16.695 -5.848 -1.558 1.00 0.00 O ATOM 733 CB ARG A 50 -15.264 -7.624 -3.780 1.00 0.00 C ATOM 734 CG ARG A 50 -15.479 -8.084 -5.229 1.00 0.00 C ATOM 735 CD ARG A 50 -16.964 -8.315 -5.536 1.00 0.00 C ATOM 736 NE ARG A 50 -17.133 -8.993 -6.828 1.00 0.00 N ATOM 737 CZ ARG A 50 -18.147 -9.788 -7.177 1.00 0.00 C ATOM 738 NH1 ARG A 50 -19.190 -9.965 -6.374 1.00 0.00 N ATOM 739 NH2 ARG A 50 -18.109 -10.448 -8.327 1.00 0.00 N ATOM 0 H ARG A 50 -13.492 -5.705 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.444 -5.824 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.247 -7.871 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.937 -8.179 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.078 -7.335 -5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.923 -9.005 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.414 -8.914 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.489 -7.360 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.405 -8.842 -7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.226 -9.489 -5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.955 -10.577 -6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.304 -10.348 -8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.884 -11.055 -8.592 1.00 0.00 H new ATOM 753 N ALA A 51 -14.470 -5.429 -1.451 1.00 0.00 N ATOM 754 CA ALA A 51 -14.457 -4.896 -0.094 1.00 0.00 C ATOM 755 C ALA A 51 -15.047 -3.472 -0.079 1.00 0.00 C ATOM 756 O ALA A 51 -15.472 -2.959 -1.120 1.00 0.00 O ATOM 757 CB ALA A 51 -13.022 -4.957 0.454 1.00 0.00 C ATOM 0 H ALA A 51 -13.541 -5.509 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.086 -5.498 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.003 -4.560 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.679 -5.992 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.365 -4.362 -0.180 1.00 0.00 H new ATOM 763 N ILE A 52 -15.140 -2.847 1.101 1.00 0.00 N ATOM 764 CA ILE A 52 -15.627 -1.480 1.254 1.00 0.00 C ATOM 765 C ILE A 52 -14.443 -0.589 1.641 1.00 0.00 C ATOM 766 O ILE A 52 -13.906 -0.748 2.744 1.00 0.00 O ATOM 767 CB ILE A 52 -16.771 -1.403 2.274 1.00 0.00 C ATOM 768 CG1 ILE A 52 -17.954 -2.282 1.825 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.203 0.063 2.475 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.805 -1.723 0.676 1.00 0.00 C ATOM 0 H ILE A 52 -14.875 -3.285 1.983 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.046 -1.127 0.312 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.420 -1.786 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.565 -3.255 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.603 -2.450 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.015 0.107 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.357 0.645 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.543 0.476 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.607 -2.423 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.233 -0.766 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.179 -1.583 -0.205 1.00 0.00 H new ATOM 782 N PRO A 53 -14.038 0.347 0.769 1.00 0.00 N ATOM 783 CA PRO A 53 -12.878 1.186 0.983 1.00 0.00 C ATOM 784 C PRO A 53 -13.235 2.299 1.960 1.00 0.00 C ATOM 785 O PRO A 53 -14.091 3.142 1.675 1.00 0.00 O ATOM 786 CB PRO A 53 -12.479 1.672 -0.412 1.00 0.00 C ATOM 787 CG PRO A 53 -13.808 1.729 -1.164 1.00 0.00 C ATOM 788 CD PRO A 53 -14.663 0.652 -0.507 1.00 0.00 C ATOM 0 HA PRO A 53 -12.031 0.674 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.997 2.649 -0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.777 0.989 -0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.271 2.712 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.671 1.534 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.685 1.002 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.716 -0.237 -1.135 1.00 0.00 H new ATOM 796 N ASN A 54 -12.594 2.291 3.125 1.00 0.00 N ATOM 797 CA ASN A 54 -12.848 3.205 4.233 1.00 0.00 C ATOM 798 C ASN A 54 -11.582 4.002 4.517 1.00 0.00 C ATOM 799 O ASN A 54 -10.498 3.429 4.423 1.00 0.00 O ATOM 800 CB ASN A 54 -13.226 2.384 5.470 1.00 0.00 C ATOM 801 CG ASN A 54 -13.385 3.284 6.687 1.00 0.00 C ATOM 802 OD1 ASN A 54 -13.973 4.358 6.599 1.00 0.00 O ATOM 803 ND2 ASN A 54 -12.800 2.899 7.807 1.00 0.00 N ATOM 0 H ASN A 54 -11.854 1.620 3.331 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.659 3.888 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.156 1.847 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.458 1.635 5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.829 3.500 8.630 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.319 2.000 7.848 1.00 0.00 H new ATOM 810 N ASN A 55 -11.708 5.278 4.904 1.00 0.00 N ATOM 811 CA ASN A 55 -10.607 6.240 5.051 1.00 0.00 C ATOM 812 C ASN A 55 -9.452 5.662 5.844 1.00 0.00 C ATOM 813 O ASN A 55 -8.292 5.855 5.487 1.00 0.00 O ATOM 814 CB ASN A 55 -11.020 7.501 5.835 1.00 0.00 C ATOM 815 CG ASN A 55 -12.240 8.245 5.347 1.00 0.00 C ATOM 816 OD1 ASN A 55 -12.759 7.979 4.270 1.00 0.00 O ATOM 817 ND2 ASN A 55 -12.689 9.208 6.125 1.00 0.00 N ATOM 0 H ASN A 55 -12.615 5.685 5.132 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.326 6.480 4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.192 7.213 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.178 8.193 5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.496 9.762 5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.230 9.400 7.015 1.00 0.00 H new ATOM 824 N GLN A 56 -9.781 5.008 6.957 1.00 0.00 N ATOM 825 CA GLN A 56 -8.797 4.515 7.890 1.00 0.00 C ATOM 826 C GLN A 56 -7.941 3.453 7.204 1.00 0.00 C ATOM 827 O GLN A 56 -6.715 3.561 7.204 1.00 0.00 O ATOM 828 CB GLN A 56 -9.520 3.988 9.138 1.00 0.00 C ATOM 829 CG GLN A 56 -8.692 4.066 10.422 1.00 0.00 C ATOM 830 CD GLN A 56 -8.567 5.499 10.937 1.00 0.00 C ATOM 831 OE1 GLN A 56 -9.332 5.949 11.790 1.00 0.00 O ATOM 832 NE2 GLN A 56 -7.595 6.249 10.455 1.00 0.00 N ATOM 0 H GLN A 56 -10.744 4.810 7.228 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.123 5.309 8.212 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.440 4.555 9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.807 2.951 8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.153 3.444 11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.698 3.659 10.237 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.963 5.873 9.748 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.475 7.205 10.789 1.00 0.00 H new ATOM 841 N VAL A 57 -8.579 2.452 6.598 1.00 0.00 N ATOM 842 CA VAL A 57 -7.918 1.362 5.897 1.00 0.00 C ATOM 843 C VAL A 57 -7.163 1.931 4.694 1.00 0.00 C ATOM 844 O VAL A 57 -5.968 1.669 4.591 1.00 0.00 O ATOM 845 CB VAL A 57 -8.938 0.264 5.519 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.164 -0.988 5.084 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.822 -0.123 6.717 1.00 0.00 C ATOM 0 H VAL A 57 -9.596 2.379 6.583 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.186 0.878 6.544 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.574 0.649 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.868 -1.775 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.539 -0.749 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.535 -1.331 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.527 -0.897 6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.195 -0.499 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.371 0.753 7.062 1.00 0.00 H new ATOM 857 N LEU A 58 -7.788 2.787 3.877 1.00 0.00 N ATOM 858 CA LEU A 58 -7.166 3.504 2.765 1.00 0.00 C ATOM 859 C LEU A 58 -5.847 4.111 3.222 1.00 0.00 C ATOM 860 O LEU A 58 -4.796 3.776 2.686 1.00 0.00 O ATOM 861 CB LEU A 58 -8.130 4.574 2.211 1.00 0.00 C ATOM 862 CG LEU A 58 -9.261 3.970 1.358 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.456 4.917 1.252 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.786 3.667 -0.063 1.00 0.00 C ATOM 0 H LEU A 58 -8.779 3.005 3.979 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.954 2.808 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.564 5.131 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.567 5.287 1.609 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.559 3.050 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.233 4.456 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.849 5.120 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.139 5.852 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.608 3.242 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.449 4.588 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.962 2.955 -0.027 1.00 0.00 H new ATOM 876 N GLY A 59 -5.874 4.933 4.271 1.00 0.00 N ATOM 877 CA GLY A 59 -4.688 5.554 4.838 1.00 0.00 C ATOM 878 C GLY A 59 -3.632 4.547 5.301 1.00 0.00 C ATOM 879 O GLY A 59 -2.437 4.829 5.206 1.00 0.00 O ATOM 0 H GLY A 59 -6.736 5.187 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.245 6.217 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.982 6.175 5.684 1.00 0.00 H new ATOM 883 N LYS A 60 -4.037 3.373 5.799 1.00 0.00 N ATOM 884 CA LYS A 60 -3.104 2.333 6.218 1.00 0.00 C ATOM 885 C LYS A 60 -2.446 1.722 4.985 1.00 0.00 C ATOM 886 O LYS A 60 -1.226 1.555 4.989 1.00 0.00 O ATOM 887 CB LYS A 60 -3.827 1.259 7.049 1.00 0.00 C ATOM 888 CG LYS A 60 -4.355 1.797 8.383 1.00 0.00 C ATOM 889 CD LYS A 60 -5.492 0.954 8.966 1.00 0.00 C ATOM 890 CE LYS A 60 -5.098 -0.397 9.521 1.00 0.00 C ATOM 891 NZ LYS A 60 -4.398 -0.348 10.824 1.00 0.00 N ATOM 0 H LYS A 60 -5.018 3.122 5.921 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.332 2.772 6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.658 0.857 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.143 0.433 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.536 1.837 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.705 2.820 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.971 1.526 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.240 0.801 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.995 -1.007 9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.456 -0.899 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.165 -1.314 11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.522 0.205 10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.014 0.100 11.532 1.00 0.00 H new ATOM 905 N ILE A 61 -3.230 1.386 3.956 1.00 0.00 N ATOM 906 CA ILE A 61 -2.750 0.809 2.703 1.00 0.00 C ATOM 907 C ILE A 61 -1.811 1.794 2.019 1.00 0.00 C ATOM 908 O ILE A 61 -0.815 1.382 1.431 1.00 0.00 O ATOM 909 CB ILE A 61 -3.914 0.387 1.780 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.707 -0.748 2.455 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.375 -0.048 0.396 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.841 -1.290 1.592 1.00 0.00 C ATOM 0 H ILE A 61 -4.242 1.512 3.975 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.197 -0.103 2.927 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.582 1.234 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.025 -1.562 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.119 -0.384 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.208 -0.342 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.841 0.783 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.696 -0.892 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.358 -2.086 2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.544 -0.487 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.433 -1.684 0.661 1.00 0.00 H new ATOM 924 N GLU A 62 -2.082 3.093 2.118 1.00 0.00 N ATOM 925 CA GLU A 62 -1.176 4.079 1.539 1.00 0.00 C ATOM 926 C GLU A 62 0.222 3.895 2.132 1.00 0.00 C ATOM 927 O GLU A 62 1.188 3.738 1.391 1.00 0.00 O ATOM 928 CB GLU A 62 -1.643 5.534 1.777 1.00 0.00 C ATOM 929 CG GLU A 62 -2.911 5.924 1.016 1.00 0.00 C ATOM 930 CD GLU A 62 -3.602 7.191 1.540 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.926 8.085 2.101 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.844 7.297 1.446 1.00 0.00 O ATOM 0 H GLU A 62 -2.903 3.481 2.583 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.166 3.913 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.816 5.677 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.839 6.212 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.659 6.070 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.617 5.095 1.062 1.00 0.00 H new ATOM 939 N ARG A 63 0.360 3.830 3.464 1.00 0.00 N ATOM 940 CA ARG A 63 1.653 3.518 4.088 1.00 0.00 C ATOM 941 C ARG A 63 2.183 2.170 3.625 1.00 0.00 C ATOM 942 O ARG A 63 3.378 2.050 3.368 1.00 0.00 O ATOM 943 CB ARG A 63 1.597 3.553 5.621 1.00 0.00 C ATOM 944 CG ARG A 63 1.093 4.879 6.199 1.00 0.00 C ATOM 945 CD ARG A 63 1.405 4.928 7.698 1.00 0.00 C ATOM 946 NE ARG A 63 0.918 6.160 8.339 1.00 0.00 N ATOM 947 CZ ARG A 63 1.502 6.791 9.365 1.00 0.00 C ATOM 948 NH1 ARG A 63 2.698 6.415 9.796 1.00 0.00 N ATOM 949 NH2 ARG A 63 0.916 7.815 9.972 1.00 0.00 N ATOM 0 H ARG A 63 -0.401 3.988 4.125 1.00 0.00 H new ATOM 0 HA ARG A 63 2.337 4.302 3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.949 2.748 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.593 3.353 6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.570 5.716 5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.020 4.976 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.953 4.065 8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.482 4.849 7.844 1.00 0.00 H new ATOM 0 HE ARG A 63 0.060 6.569 7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.182 5.638 9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.135 6.902 10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.000 8.137 9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.381 8.280 10.752 1.00 0.00 H new ATOM 963 N ALA A 64 1.307 1.184 3.458 1.00 0.00 N ATOM 964 CA ALA A 64 1.666 -0.173 3.100 1.00 0.00 C ATOM 965 C ALA A 64 2.455 -0.277 1.787 1.00 0.00 C ATOM 966 O ALA A 64 3.209 -1.242 1.638 1.00 0.00 O ATOM 967 CB ALA A 64 0.390 -1.009 3.031 1.00 0.00 C ATOM 0 H ALA A 64 0.302 1.316 3.572 1.00 0.00 H new ATOM 0 HA ALA A 64 2.338 -0.552 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.641 -2.035 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.105 -0.999 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.279 -0.591 2.279 1.00 0.00 H new ATOM 973 N ILE A 65 2.305 0.678 0.857 1.00 0.00 N ATOM 974 CA ILE A 65 3.075 0.746 -0.392 1.00 0.00 C ATOM 975 C ILE A 65 3.871 2.069 -0.511 1.00 0.00 C ATOM 976 O ILE A 65 4.726 2.220 -1.385 1.00 0.00 O ATOM 977 CB ILE A 65 2.137 0.503 -1.592 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.054 1.596 -1.711 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.496 -0.894 -1.474 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.294 1.525 -3.033 1.00 0.00 C ATOM 0 H ILE A 65 1.632 1.438 0.955 1.00 0.00 H new ATOM 0 HA ILE A 65 3.826 -0.044 -0.386 1.00 0.00 H new ATOM 0 HB ILE A 65 2.734 0.550 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.350 1.496 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.520 2.577 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.834 -1.063 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.278 -1.654 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.923 -0.954 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.456 2.316 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.991 1.653 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.197 0.556 -3.119 1.00 0.00 H new ATOM 992 N GLY A 66 3.605 3.037 0.368 1.00 0.00 N ATOM 993 CA GLY A 66 4.188 4.376 0.401 1.00 0.00 C ATOM 994 C GLY A 66 3.737 5.260 -0.757 1.00 0.00 C ATOM 995 O GLY A 66 4.482 6.149 -1.172 1.00 0.00 O ATOM 0 H GLY A 66 2.934 2.896 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.921 4.858 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.275 4.292 0.383 1.00 0.00 H new ATOM 999 N LEU A 67 2.537 5.029 -1.286 1.00 0.00 N ATOM 1000 CA LEU A 67 1.953 5.757 -2.406 1.00 0.00 C ATOM 1001 C LEU A 67 0.460 6.010 -2.078 1.00 0.00 C ATOM 1002 O LEU A 67 -0.079 5.403 -1.153 1.00 0.00 O ATOM 1003 CB LEU A 67 2.154 4.959 -3.715 1.00 0.00 C ATOM 1004 CG LEU A 67 3.540 4.533 -4.242 1.00 0.00 C ATOM 1005 CD1 LEU A 67 3.325 3.599 -5.454 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.428 5.714 -4.661 1.00 0.00 C ATOM 0 H LEU A 67 1.921 4.298 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 67 2.442 6.719 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.570 4.045 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.690 5.546 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 67 4.063 4.032 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.292 3.283 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.756 2.723 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.775 4.131 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.386 5.339 -5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.936 6.275 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.593 6.367 -3.804 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.207 6.939 -2.774 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.549 7.461 -2.483 1.00 0.00 C ATOM 1020 C LYS A 68 -2.647 6.608 -3.099 1.00 0.00 C ATOM 1021 O LYS A 68 -2.523 6.166 -4.239 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.689 8.880 -3.054 1.00 0.00 C ATOM 1023 CG LYS A 68 -0.953 9.903 -2.191 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.219 11.330 -2.666 1.00 0.00 C ATOM 1025 CE LYS A 68 -0.555 12.364 -1.756 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.209 12.489 -0.435 1.00 0.00 N ATOM 0 H LYS A 68 0.199 7.372 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.661 7.453 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.293 8.906 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.744 9.146 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.268 9.799 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.118 9.702 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.848 11.450 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.294 11.509 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.491 12.092 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.566 13.334 -2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.722 13.217 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.205 12.760 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.161 11.578 0.064 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.767 6.454 -2.395 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.908 5.611 -2.772 1.00 0.00 C ATOM 1042 C LEU A 69 -6.182 6.452 -2.940 1.00 0.00 C ATOM 1043 O LEU A 69 -7.270 5.904 -3.127 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.073 4.497 -1.723 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.152 3.275 -1.903 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.505 2.442 -3.131 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.664 3.536 -2.064 1.00 0.00 C ATOM 0 H LEU A 69 -3.914 6.933 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.722 5.146 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.894 4.922 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.108 4.156 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.332 2.774 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.822 1.596 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.528 2.076 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.418 3.058 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.139 2.588 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.496 4.155 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.288 4.053 -1.181 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.071 7.783 -2.865 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.186 8.716 -2.951 1.00 0.00 C ATOM 1061 C ARG A 70 -6.757 9.949 -3.740 1.00 0.00 C ATOM 1062 O ARG A 70 -5.568 10.276 -3.767 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.645 9.097 -1.532 1.00 0.00 C ATOM 1064 CG ARG A 70 -8.395 7.951 -0.834 1.00 0.00 C ATOM 1065 CD ARG A 70 -8.742 8.302 0.611 1.00 0.00 C ATOM 1066 NE ARG A 70 -7.602 8.103 1.516 1.00 0.00 N ATOM 1067 CZ ARG A 70 -7.591 8.402 2.815 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -8.648 8.955 3.402 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -6.494 8.142 3.505 1.00 0.00 N ATOM 0 H ARG A 70 -5.172 8.249 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.024 8.251 -3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.777 9.377 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.292 9.973 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.309 7.726 -1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.782 7.050 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.069 9.341 0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.579 7.687 0.942 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.751 7.704 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.486 9.158 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.621 9.177 4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.687 7.724 3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.454 8.359 4.501 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.736 10.652 -4.309 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.528 11.792 -5.190 1.00 0.00 C ATOM 1085 C GLY A 71 -7.035 11.361 -6.569 1.00 0.00 C ATOM 1086 O GLY A 71 -6.693 10.201 -6.792 1.00 0.00 O ATOM 0 H GLY A 71 -8.722 10.435 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.461 12.346 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.803 12.471 -4.741 1.00 0.00 H new ATOM 1090 N LYS A 72 -6.961 12.313 -7.507 1.00 0.00 N ATOM 1091 CA LYS A 72 -6.344 12.081 -8.819 1.00 0.00 C ATOM 1092 C LYS A 72 -4.846 11.811 -8.677 1.00 0.00 C ATOM 1093 O LYS A 72 -4.227 11.268 -9.591 1.00 0.00 O ATOM 1094 CB LYS A 72 -6.586 13.288 -9.742 1.00 0.00 C ATOM 1095 CG LYS A 72 -7.854 13.164 -10.594 1.00 0.00 C ATOM 1096 CD LYS A 72 -9.157 12.930 -9.817 1.00 0.00 C ATOM 1097 CE LYS A 72 -10.321 13.033 -10.808 1.00 0.00 C ATOM 1098 NZ LYS A 72 -11.612 12.613 -10.239 1.00 0.00 N ATOM 0 H LYS A 72 -7.324 13.258 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.807 11.200 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.653 14.191 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.726 13.409 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.963 14.073 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.719 12.342 -11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.147 11.949 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.266 13.669 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.403 14.063 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.100 12.419 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.356 12.707 -10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.550 11.621 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.843 13.214 -9.422 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.268 12.138 -7.524 1.00 0.00 N ATOM 1113 CA ASP A 73 -2.895 11.833 -7.156 1.00 0.00 C ATOM 1114 C ASP A 73 -2.684 10.328 -6.924 1.00 0.00 C ATOM 1115 O ASP A 73 -1.647 9.972 -6.369 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.415 12.593 -5.897 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.052 13.941 -5.591 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -4.289 13.995 -5.390 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -2.321 14.949 -5.424 1.00 0.00 O ATOM 0 H ASP A 73 -4.768 12.644 -6.793 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.301 12.165 -8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.574 11.945 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.339 12.745 -5.988 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.633 9.432 -7.237 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.452 8.015 -6.978 1.00 0.00 C ATOM 1126 C ILE A 74 -2.151 7.528 -7.618 1.00 0.00 C ATOM 1127 O ILE A 74 -1.879 7.784 -8.797 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.697 7.203 -7.397 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -4.936 6.121 -6.339 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -4.684 6.750 -8.865 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.206 5.294 -6.537 1.00 0.00 C ATOM 0 H ILE A 74 -4.526 9.673 -7.667 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.353 7.852 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.581 7.841 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.079 5.447 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.979 6.596 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.592 6.186 -9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.637 7.624 -9.515 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.814 6.118 -9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.287 4.556 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.075 5.951 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.162 4.785 -7.500 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.344 6.837 -6.824 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.050 6.348 -7.254 1.00 0.00 C ATOM 1145 C GLY A 75 1.098 7.314 -7.013 1.00 0.00 C ATOM 1146 O GLY A 75 2.253 6.885 -7.057 1.00 0.00 O ATOM 0 H GLY A 75 -1.574 6.601 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.163 5.413 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.098 6.118 -8.318 1.00 0.00 H new ATOM 1150 N LYS A 76 0.828 8.593 -6.743 1.00 0.00 N ATOM 1151 CA LYS A 76 1.839 9.525 -6.302 1.00 0.00 C ATOM 1152 C LYS A 76 2.274 9.111 -4.906 1.00 0.00 C ATOM 1153 O LYS A 76 1.497 8.520 -4.162 1.00 0.00 O ATOM 1154 CB LYS A 76 1.313 10.964 -6.287 1.00 0.00 C ATOM 1155 CG LYS A 76 0.969 11.443 -7.703 1.00 0.00 C ATOM 1156 CD LYS A 76 1.643 12.768 -8.053 1.00 0.00 C ATOM 1157 CE LYS A 76 1.074 13.909 -7.210 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.032 15.021 -7.058 1.00 0.00 N ATOM 0 H LYS A 76 -0.103 9.001 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 76 2.681 9.501 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.427 11.024 -5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.062 11.623 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.272 10.683 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.112 11.554 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.717 12.689 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.499 12.986 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.160 14.280 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.801 13.530 -6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.604 15.772 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.895 14.675 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.274 15.402 -7.995 1.00 0.00 H new ATOM 1172 N PRO A 77 3.506 9.420 -4.523 1.00 0.00 N ATOM 1173 CA PRO A 77 4.069 8.976 -3.266 1.00 0.00 C ATOM 1174 C PRO A 77 3.437 9.715 -2.090 1.00 0.00 C ATOM 1175 O PRO A 77 2.976 10.852 -2.237 1.00 0.00 O ATOM 1176 CB PRO A 77 5.571 9.207 -3.400 1.00 0.00 C ATOM 1177 CG PRO A 77 5.703 10.246 -4.518 1.00 0.00 C ATOM 1178 CD PRO A 77 4.452 10.090 -5.370 1.00 0.00 C ATOM 0 HA PRO A 77 3.867 7.925 -3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.001 9.572 -2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.093 8.284 -3.653 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.776 11.254 -4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.603 10.075 -5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.073 11.059 -5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.657 9.509 -6.269 1.00 0.00 H new ATOM 1186 N ILE A 78 3.509 9.123 -0.899 1.00 0.00 N ATOM 1187 CA ILE A 78 3.245 9.828 0.351 1.00 0.00 C ATOM 1188 C ILE A 78 4.617 10.135 0.944 1.00 0.00 C ATOM 1189 O ILE A 78 5.465 9.239 1.004 1.00 0.00 O ATOM 1190 CB ILE A 78 2.296 9.041 1.286 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.937 7.783 1.895 1.00 0.00 C ATOM 1192 CG2 ILE A 78 1.002 8.696 0.530 1.00 0.00 C ATOM 1193 CD1 ILE A 78 1.959 6.920 2.693 1.00 0.00 C ATOM 0 H ILE A 78 3.752 8.140 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 78 2.697 10.756 0.191 1.00 0.00 H new ATOM 0 HB ILE A 78 2.067 9.687 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.369 7.182 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.758 8.083 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.333 8.142 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.513 9.615 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.241 8.086 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.482 6.051 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.546 7.504 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.151 6.589 2.041 1.00 0.00 H new ATOM 1205 N GLU A 79 4.838 11.403 1.312 1.00 0.00 N ATOM 1206 CA GLU A 79 6.065 11.945 1.905 1.00 0.00 C ATOM 1207 C GLU A 79 7.335 11.221 1.431 1.00 0.00 C ATOM 1208 O GLU A 79 8.045 10.611 2.238 1.00 0.00 O ATOM 1209 CB GLU A 79 5.916 11.999 3.439 1.00 0.00 C ATOM 1210 CG GLU A 79 5.231 10.765 4.060 1.00 0.00 C ATOM 1211 CD GLU A 79 5.153 10.833 5.577 1.00 0.00 C ATOM 1212 OE1 GLU A 79 4.361 11.644 6.120 1.00 0.00 O ATOM 1213 OE2 GLU A 79 5.863 10.032 6.224 1.00 0.00 O ATOM 0 H GLU A 79 4.122 12.120 1.197 1.00 0.00 H new ATOM 0 HA GLU A 79 6.200 12.966 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.905 12.112 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.344 12.888 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.224 10.671 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.777 9.868 3.769 1.00 0.00 H new ATOM 1220 N LYS A 80 7.599 11.219 0.113 1.00 0.00 N ATOM 1221 CA LYS A 80 8.725 10.454 -0.426 1.00 0.00 C ATOM 1222 C LYS A 80 10.016 10.959 0.198 1.00 0.00 C ATOM 1223 O LYS A 80 10.182 12.169 0.365 1.00 0.00 O ATOM 1224 CB LYS A 80 8.815 10.522 -1.964 1.00 0.00 C ATOM 1225 CG LYS A 80 9.246 9.146 -2.499 1.00 0.00 C ATOM 1226 CD LYS A 80 9.371 9.087 -4.025 1.00 0.00 C ATOM 1227 CE LYS A 80 9.418 7.626 -4.493 1.00 0.00 C ATOM 1228 NZ LYS A 80 9.007 7.481 -5.907 1.00 0.00 N ATOM 0 H LYS A 80 7.057 11.730 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 80 8.564 9.407 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.851 10.805 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.532 11.285 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.205 8.878 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.523 8.398 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.526 9.598 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.273 9.609 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.429 7.238 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.765 7.023 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.743 6.492 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.192 8.099 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.797 7.750 -6.528 1.00 0.00 H new ATOM 1242 N GLY A 81 10.927 10.050 0.509 1.00 0.00 N ATOM 1243 CA GLY A 81 12.193 10.366 1.130 1.00 0.00 C ATOM 1244 C GLY A 81 13.299 9.888 0.205 1.00 0.00 C ATOM 1245 O GLY A 81 13.387 10.380 -0.924 1.00 0.00 O ATOM 0 H GLY A 81 10.799 9.054 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.276 11.439 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.273 9.880 2.103 1.00 0.00 H new ATOM 1249 N PRO A 82 14.127 8.931 0.643 1.00 0.00 N ATOM 1250 CA PRO A 82 15.210 8.409 -0.166 1.00 0.00 C ATOM 1251 C PRO A 82 14.677 7.667 -1.396 1.00 0.00 C ATOM 1252 O PRO A 82 13.550 7.168 -1.416 1.00 0.00 O ATOM 1253 CB PRO A 82 15.999 7.479 0.765 1.00 0.00 C ATOM 1254 CG PRO A 82 14.964 7.037 1.797 1.00 0.00 C ATOM 1255 CD PRO A 82 14.051 8.249 1.922 1.00 0.00 C ATOM 0 HA PRO A 82 15.843 9.204 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.414 6.628 0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.836 7.997 1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.417 6.154 1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 82 15.429 6.784 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.028 7.947 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.375 8.901 2.733 1.00 0.00 H new ATOM 1263 N ARG A 83 15.559 7.506 -2.385 1.00 0.00 N ATOM 1264 CA ARG A 83 15.340 6.757 -3.618 1.00 0.00 C ATOM 1265 C ARG A 83 14.192 7.358 -4.420 1.00 0.00 C ATOM 1266 O ARG A 83 13.070 6.845 -4.409 1.00 0.00 O ATOM 1267 CB ARG A 83 15.190 5.245 -3.355 1.00 0.00 C ATOM 1268 CG ARG A 83 16.465 4.577 -2.811 1.00 0.00 C ATOM 1269 CD ARG A 83 17.321 3.920 -3.902 1.00 0.00 C ATOM 1270 NE ARG A 83 17.868 4.874 -4.884 1.00 0.00 N ATOM 1271 CZ ARG A 83 18.774 4.583 -5.823 1.00 0.00 C ATOM 1272 NH1 ARG A 83 19.280 3.359 -5.920 1.00 0.00 N ATOM 1273 NH2 ARG A 83 19.181 5.525 -6.657 1.00 0.00 N ATOM 0 H ARG A 83 16.492 7.917 -2.342 1.00 0.00 H new ATOM 0 HA ARG A 83 16.230 6.850 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.378 5.089 -2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.901 4.752 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 83 17.064 5.324 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 83 16.186 3.823 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.146 3.385 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.718 3.179 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 83 17.527 5.835 -4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.978 2.630 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.971 3.148 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.804 6.470 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.872 5.307 -7.375 1.00 0.00 H new ATOM 1287 N ALA A 84 14.529 8.398 -5.189 1.00 0.00 N ATOM 1288 CA ALA A 84 13.676 8.896 -6.257 1.00 0.00 C ATOM 1289 C ALA A 84 13.317 7.741 -7.186 1.00 0.00 C ATOM 1290 O ALA A 84 14.142 6.853 -7.442 1.00 0.00 O ATOM 1291 CB ALA A 84 14.399 9.983 -7.052 1.00 0.00 C ATOM 0 H ALA A 84 15.402 8.914 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 84 12.771 9.322 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.748 10.346 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.656 10.809 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.309 9.571 -7.488 1.00 0.00 H new ATOM 1297 N LYS A 85 12.096 7.762 -7.710 1.00 0.00 N ATOM 1298 CA LYS A 85 11.589 6.768 -8.641 1.00 0.00 C ATOM 1299 C LYS A 85 10.462 7.473 -9.388 1.00 0.00 C ATOM 1300 O LYS A 85 9.363 7.596 -8.848 1.00 0.00 O ATOM 1301 CB LYS A 85 11.152 5.507 -7.856 1.00 0.00 C ATOM 1302 CG LYS A 85 11.355 4.200 -8.624 1.00 0.00 C ATOM 1303 CD LYS A 85 10.399 4.043 -9.803 1.00 0.00 C ATOM 1304 CE LYS A 85 10.763 2.750 -10.535 1.00 0.00 C ATOM 1305 NZ LYS A 85 10.015 2.610 -11.795 1.00 0.00 N ATOM 0 H LYS A 85 11.417 8.491 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 85 12.324 6.405 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.712 5.460 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.099 5.602 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.381 4.155 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.222 3.360 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.367 4.007 -9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.479 4.897 -10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.833 2.738 -10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.554 1.896 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.287 1.722 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.995 2.596 -11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.234 3.412 -12.419 1.00 0.00 H new ATOM 1319 N SER A 86 10.761 8.066 -10.538 1.00 0.00 N ATOM 1320 CA SER A 86 9.813 8.855 -11.305 1.00 0.00 C ATOM 1321 C SER A 86 8.799 7.912 -11.954 1.00 0.00 C ATOM 1322 O SER A 86 9.156 7.071 -12.787 1.00 0.00 O ATOM 1323 CB SER A 86 10.568 9.728 -12.314 1.00 0.00 C ATOM 1324 OG SER A 86 11.476 8.975 -13.095 1.00 0.00 O ATOM 0 H SER A 86 11.684 8.009 -10.968 1.00 0.00 H new ATOM 0 HA SER A 86 9.255 9.538 -10.664 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.853 10.225 -12.969 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.110 10.510 -11.782 1.00 0.00 H new ATOM 0 HG SER A 86 11.070 8.114 -13.330 1.00 0.00 H new ATOM 1330 N GLY A 87 7.537 8.015 -11.553 1.00 0.00 N ATOM 1331 CA GLY A 87 6.506 7.099 -11.992 1.00 0.00 C ATOM 1332 C GLY A 87 5.130 7.726 -11.895 1.00 0.00 C ATOM 1333 O GLY A 87 4.385 7.335 -10.995 1.00 0.00 O ATOM 0 H GLY A 87 7.206 8.738 -10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.699 6.799 -13.022 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.539 6.194 -11.385 1.00 0.00 H new ATOM 1337 N PRO A 88 4.767 8.667 -12.785 1.00 0.00 N ATOM 1338 CA PRO A 88 3.406 9.174 -12.889 1.00 0.00 C ATOM 1339 C PRO A 88 2.476 8.112 -13.488 1.00 0.00 C ATOM 1340 O PRO A 88 2.901 6.995 -13.809 1.00 0.00 O ATOM 1341 CB PRO A 88 3.512 10.411 -13.777 1.00 0.00 C ATOM 1342 CG PRO A 88 4.623 10.022 -14.741 1.00 0.00 C ATOM 1343 CD PRO A 88 5.586 9.232 -13.851 1.00 0.00 C ATOM 0 HA PRO A 88 2.977 9.422 -11.918 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.577 10.620 -14.297 1.00 0.00 H new ATOM 0 HB3 PRO A 88 3.764 11.303 -13.204 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.248 9.418 -15.567 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.103 10.897 -15.179 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.087 8.447 -14.417 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.364 9.879 -13.446 1.00 0.00 H new ATOM 1351 N SER A 89 1.201 8.469 -13.628 1.00 0.00 N ATOM 1352 CA SER A 89 0.152 7.594 -14.119 1.00 0.00 C ATOM 1353 C SER A 89 -0.369 8.107 -15.463 1.00 0.00 C ATOM 1354 O SER A 89 -0.071 7.516 -16.500 1.00 0.00 O ATOM 1355 CB SER A 89 -0.909 7.442 -13.025 1.00 0.00 C ATOM 1356 OG SER A 89 -1.354 8.693 -12.527 1.00 0.00 O ATOM 0 H SER A 89 0.865 9.403 -13.395 1.00 0.00 H new ATOM 0 HA SER A 89 0.524 6.591 -14.327 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.760 6.888 -13.422 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.500 6.852 -12.205 1.00 0.00 H new ATOM 0 HG SER A 89 -2.031 8.547 -11.833 1.00 0.00 H new ATOM 1362 N SER A 90 -1.110 9.218 -15.470 1.00 0.00 N ATOM 1363 CA SER A 90 -1.613 9.811 -16.704 1.00 0.00 C ATOM 1364 C SER A 90 -0.458 10.246 -17.618 1.00 0.00 C ATOM 1365 O SER A 90 -0.523 9.997 -18.826 1.00 0.00 O ATOM 1366 CB SER A 90 -2.561 10.971 -16.380 1.00 0.00 C ATOM 1367 OG SER A 90 -3.650 10.502 -15.600 1.00 0.00 O ATOM 0 H SER A 90 -1.375 9.726 -14.626 1.00 0.00 H new ATOM 0 HA SER A 90 -2.181 9.059 -17.253 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.024 11.750 -15.839 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.930 11.419 -17.303 1.00 0.00 H new ATOM 0 HG SER A 90 -4.251 11.248 -15.395 1.00 0.00 H new ATOM 1373 N GLY A 91 0.605 10.823 -17.051 1.00 0.00 N ATOM 1374 CA GLY A 91 1.802 11.286 -17.736 1.00 0.00 C ATOM 1375 C GLY A 91 2.297 12.553 -17.069 1.00 0.00 C ATOM 1376 O GLY A 91 3.039 13.330 -17.697 1.00 0.00 O ATOM 0 H GLY A 91 0.650 10.986 -16.045 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.575 10.518 -17.704 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.584 11.475 -18.787 1.00 0.00 H new TER 1380 GLY A 91