USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 923 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 106 THR OG1 : rot 180:sc= -0.0345 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 92 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 SER OG : rot 120:sc= -0.0487 USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0.176 USER MOD Set 3.2: A 84 SER OG : rot -98:sc= 0.193 USER MOD Set 4.1: A 55 SER OG : rot -66:sc= -0.262 USER MOD Set 4.2: A 64 HIS : no HE2:sc= 0.117 K(o=-0.15,f=-8!) USER MOD Set 5.1: A 35 HIS : no HD1:sc= -0.474 X(o=-1.3,f=-1.2) USER MOD Set 5.2: A 39 THR OG1 : rot -119:sc= -0.828 USER MOD Set 6.1: A 23 MET CE :methyl 172:sc= -3.27 (180deg=-3.51!) USER MOD Set 6.2: A 28 THR OG1 : rot 79:sc= 1.11 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 0.698 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -57:sc= 1.27 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 22 ASN : amide:sc= 0.332 K(o=0.33,f=-0.38) USER MOD Single : A 26 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.19) USER MOD Single : A 27 GLN : amide:sc= -6! C(o=-6!,f=-9.4!) USER MOD Single : A 30 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.57) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -44:sc= 0.0493 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 146:sc= 1.51 USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= -2.15! (180deg=-4.07!) USER MOD Single : A 59 ASN : amide:sc= -0.0916 K(o=-0.092,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -140:sc= -2.46! (180deg=-4.09!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 75 HIS : no HD1:sc= -0.339 K(o=-0.34,f=-1) USER MOD Single : A 77 THR OG1 : rot -53:sc= 0.311 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.31! X(o=-1.3!,f=-1.5) USER MOD Single : A 94 CYS SG : rot -22:sc= 0.148 USER MOD Single : A 95 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-8.7!) USER MOD Single : A 96 SER OG : rot 113:sc= 1.44 USER MOD Single : A 98 LYS NZ :NH3+ 157:sc=0.000727 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00184) USER MOD Single : A 103 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.65) USER MOD Single : A 107 THR OG1 : rot 31:sc= 0.0408 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -32:sc=0.000802 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.366 -35.494 -0.610 1.00 0.00 N ATOM 2 CA GLY A 1 0.487 -35.463 -2.056 1.00 0.00 C ATOM 3 C GLY A 1 1.564 -34.507 -2.526 1.00 0.00 C ATOM 4 O GLY A 1 2.755 -34.774 -2.365 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.383 -36.162 -0.339 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.269 -35.798 -0.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.126 -34.544 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.711 -36.466 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.469 -35.172 -2.492 1.00 0.00 H new ATOM 8 N SER A 2 1.147 -33.389 -3.111 1.00 0.00 N ATOM 9 CA SER A 2 2.085 -32.391 -3.612 1.00 0.00 C ATOM 10 C SER A 2 2.140 -31.183 -2.683 1.00 0.00 C ATOM 11 O SER A 2 3.218 -30.729 -2.299 1.00 0.00 O ATOM 12 CB SER A 2 1.686 -31.947 -5.021 1.00 0.00 C ATOM 13 OG SER A 2 2.675 -31.107 -5.590 1.00 0.00 O ATOM 0 H SER A 2 0.165 -33.151 -3.250 1.00 0.00 H new ATOM 0 HA SER A 2 3.075 -32.845 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.540 -32.822 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.733 -31.419 -4.983 1.00 0.00 H new ATOM 0 HG SER A 2 2.397 -30.838 -6.491 1.00 0.00 H new ATOM 19 N SER A 3 0.969 -30.665 -2.324 1.00 0.00 N ATOM 20 CA SER A 3 0.883 -29.507 -1.443 1.00 0.00 C ATOM 21 C SER A 3 1.486 -28.272 -2.108 1.00 0.00 C ATOM 22 O SER A 3 2.192 -27.492 -1.469 1.00 0.00 O ATOM 23 CB SER A 3 1.600 -29.790 -0.122 1.00 0.00 C ATOM 24 OG SER A 3 1.093 -28.971 0.919 1.00 0.00 O ATOM 0 H SER A 3 0.067 -31.030 -2.630 1.00 0.00 H new ATOM 0 HA SER A 3 -0.170 -29.312 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.477 -30.840 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.669 -29.614 -0.240 1.00 0.00 H new ATOM 0 HG SER A 3 1.566 -29.172 1.753 1.00 0.00 H new ATOM 30 N GLY A 4 1.202 -28.103 -3.395 1.00 0.00 N ATOM 31 CA GLY A 4 1.724 -26.963 -4.126 1.00 0.00 C ATOM 32 C GLY A 4 0.866 -25.725 -3.959 1.00 0.00 C ATOM 33 O GLY A 4 -0.294 -25.815 -3.556 1.00 0.00 O ATOM 0 H GLY A 4 0.620 -28.735 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.736 -26.748 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.792 -27.214 -5.184 1.00 0.00 H new ATOM 37 N SER A 5 1.438 -24.565 -4.268 1.00 0.00 N ATOM 38 CA SER A 5 0.718 -23.302 -4.144 1.00 0.00 C ATOM 39 C SER A 5 1.380 -22.215 -4.985 1.00 0.00 C ATOM 40 O SER A 5 2.598 -22.210 -5.165 1.00 0.00 O ATOM 41 CB SER A 5 0.661 -22.866 -2.678 1.00 0.00 C ATOM 42 OG SER A 5 -0.470 -23.417 -2.026 1.00 0.00 O ATOM 0 H SER A 5 2.396 -24.474 -4.605 1.00 0.00 H new ATOM 0 HA SER A 5 -0.297 -23.452 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.570 -23.182 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.624 -21.778 -2.620 1.00 0.00 H new ATOM 0 HG SER A 5 -0.652 -24.310 -2.386 1.00 0.00 H new ATOM 48 N SER A 6 0.570 -21.296 -5.498 1.00 0.00 N ATOM 49 CA SER A 6 1.075 -20.206 -6.323 1.00 0.00 C ATOM 50 C SER A 6 1.511 -19.027 -5.459 1.00 0.00 C ATOM 51 O SER A 6 1.048 -18.865 -4.331 1.00 0.00 O ATOM 52 CB SER A 6 0.004 -19.754 -7.319 1.00 0.00 C ATOM 53 OG SER A 6 0.449 -18.640 -8.074 1.00 0.00 O ATOM 0 H SER A 6 -0.440 -21.284 -5.357 1.00 0.00 H new ATOM 0 HA SER A 6 1.942 -20.571 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.244 -20.577 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.909 -19.493 -6.783 1.00 0.00 H new ATOM 0 HG SER A 6 -0.252 -18.371 -8.704 1.00 0.00 H new ATOM 59 N GLY A 7 2.407 -18.205 -5.998 1.00 0.00 N ATOM 60 CA GLY A 7 2.891 -17.052 -5.263 1.00 0.00 C ATOM 61 C GLY A 7 4.235 -16.565 -5.768 1.00 0.00 C ATOM 62 O GLY A 7 4.529 -15.371 -5.718 1.00 0.00 O ATOM 0 H GLY A 7 2.806 -18.318 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.163 -16.244 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.974 -17.307 -4.207 1.00 0.00 H new ATOM 66 N SER A 8 5.053 -17.493 -6.254 1.00 0.00 N ATOM 67 CA SER A 8 6.377 -17.153 -6.765 1.00 0.00 C ATOM 68 C SER A 8 6.270 -16.252 -7.993 1.00 0.00 C ATOM 69 O SER A 8 7.157 -15.442 -8.261 1.00 0.00 O ATOM 70 CB SER A 8 7.153 -18.423 -7.116 1.00 0.00 C ATOM 71 OG SER A 8 8.551 -18.197 -7.063 1.00 0.00 O ATOM 0 H SER A 8 4.823 -18.485 -6.305 1.00 0.00 H new ATOM 0 HA SER A 8 6.913 -16.613 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.884 -19.221 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.873 -18.760 -8.114 1.00 0.00 H new ATOM 0 HG SER A 8 9.025 -19.024 -7.290 1.00 0.00 H new ATOM 77 N ARG A 9 5.177 -16.402 -8.735 1.00 0.00 N ATOM 78 CA ARG A 9 4.954 -15.605 -9.935 1.00 0.00 C ATOM 79 C ARG A 9 3.868 -14.559 -9.699 1.00 0.00 C ATOM 80 O ARG A 9 3.092 -14.243 -10.600 1.00 0.00 O ATOM 81 CB ARG A 9 4.562 -16.506 -11.107 1.00 0.00 C ATOM 82 CG ARG A 9 5.752 -17.074 -11.864 1.00 0.00 C ATOM 83 CD ARG A 9 6.375 -18.247 -11.123 1.00 0.00 C ATOM 84 NE ARG A 9 7.661 -18.635 -11.697 1.00 0.00 N ATOM 85 CZ ARG A 9 8.790 -17.964 -11.493 1.00 0.00 C ATOM 86 NH1 ARG A 9 8.791 -16.878 -10.733 1.00 0.00 N ATOM 87 NH2 ARG A 9 9.920 -18.380 -12.050 1.00 0.00 N ATOM 0 H ARG A 9 4.433 -17.068 -8.526 1.00 0.00 H new ATOM 0 HA ARG A 9 5.884 -15.091 -10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.953 -17.329 -10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.940 -15.938 -11.799 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.434 -17.396 -12.856 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.500 -16.294 -12.007 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.511 -17.983 -10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.694 -19.097 -11.152 1.00 0.00 H new ATOM 0 HE ARG A 9 7.694 -19.467 -12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.924 -16.556 -10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.659 -16.365 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.923 -19.215 -12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.786 -17.864 -11.893 1.00 0.00 H new ATOM 101 N GLU A 10 3.821 -14.027 -8.481 1.00 0.00 N ATOM 102 CA GLU A 10 2.829 -13.019 -8.127 1.00 0.00 C ATOM 103 C GLU A 10 3.187 -11.667 -8.737 1.00 0.00 C ATOM 104 O GLU A 10 4.356 -11.379 -8.994 1.00 0.00 O ATOM 105 CB GLU A 10 2.720 -12.891 -6.606 1.00 0.00 C ATOM 106 CG GLU A 10 1.500 -12.110 -6.147 1.00 0.00 C ATOM 107 CD GLU A 10 0.197 -12.781 -6.539 1.00 0.00 C ATOM 108 OE1 GLU A 10 0.014 -13.968 -6.194 1.00 0.00 O ATOM 109 OE2 GLU A 10 -0.639 -12.120 -7.190 1.00 0.00 O ATOM 0 H GLU A 10 4.458 -14.277 -7.724 1.00 0.00 H new ATOM 0 HA GLU A 10 1.866 -13.336 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.689 -13.888 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.618 -12.403 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.533 -11.994 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.532 -11.108 -6.576 1.00 0.00 H new ATOM 116 N ILE A 11 2.172 -10.841 -8.967 1.00 0.00 N ATOM 117 CA ILE A 11 2.379 -9.519 -9.546 1.00 0.00 C ATOM 118 C ILE A 11 3.578 -8.823 -8.913 1.00 0.00 C ATOM 119 O ILE A 11 3.597 -8.572 -7.707 1.00 0.00 O ATOM 120 CB ILE A 11 1.133 -8.629 -9.377 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.068 -9.253 -10.091 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.406 -7.230 -9.910 1.00 0.00 C ATOM 123 CD1 ILE A 11 -0.929 -10.108 -9.188 1.00 0.00 C ATOM 0 H ILE A 11 1.198 -11.064 -8.761 1.00 0.00 H new ATOM 0 HA ILE A 11 2.568 -9.666 -10.609 1.00 0.00 H new ATOM 0 HB ILE A 11 0.900 -8.553 -8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.680 -8.458 -10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.289 -9.861 -10.922 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.517 -6.613 -9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.236 -6.787 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.661 -7.287 -10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.761 -10.518 -9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.331 -10.924 -8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.316 -9.499 -8.371 1.00 0.00 H new ATOM 135 N ASP A 12 4.576 -8.512 -9.732 1.00 0.00 N ATOM 136 CA ASP A 12 5.779 -7.841 -9.253 1.00 0.00 C ATOM 137 C ASP A 12 5.469 -6.409 -8.828 1.00 0.00 C ATOM 138 O ASP A 12 5.492 -5.489 -9.645 1.00 0.00 O ATOM 139 CB ASP A 12 6.856 -7.842 -10.338 1.00 0.00 C ATOM 140 CG ASP A 12 8.205 -7.388 -9.815 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.430 -7.488 -8.591 1.00 0.00 O ATOM 142 OD2 ASP A 12 9.035 -6.934 -10.629 1.00 0.00 O ATOM 0 H ASP A 12 4.576 -8.714 -10.732 1.00 0.00 H new ATOM 0 HA ASP A 12 6.149 -8.387 -8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.949 -8.846 -10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.547 -7.188 -11.153 1.00 0.00 H new ATOM 147 N TYR A 13 5.179 -6.228 -7.544 1.00 0.00 N ATOM 148 CA TYR A 13 4.860 -4.909 -7.011 1.00 0.00 C ATOM 149 C TYR A 13 6.105 -4.025 -6.965 1.00 0.00 C ATOM 150 O TYR A 13 6.011 -2.798 -7.006 1.00 0.00 O ATOM 151 CB TYR A 13 4.259 -5.033 -5.610 1.00 0.00 C ATOM 152 CG TYR A 13 3.149 -6.055 -5.517 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.997 -5.929 -6.283 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.251 -7.145 -4.663 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.978 -6.861 -6.200 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.240 -8.082 -4.575 1.00 0.00 C ATOM 157 CZ TYR A 13 1.106 -7.935 -5.345 1.00 0.00 C ATOM 158 OH TYR A 13 0.095 -8.865 -5.260 1.00 0.00 O ATOM 0 H TYR A 13 5.158 -6.978 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 13 4.129 -4.445 -7.673 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.048 -5.301 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.874 -4.061 -5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.895 -5.089 -6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.137 -7.262 -4.057 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.088 -6.748 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.337 -8.925 -3.907 1.00 0.00 H new ATOM 0 HH TYR A 13 0.342 -9.559 -4.613 1.00 0.00 H new ATOM 168 N THR A 14 7.270 -4.659 -6.881 1.00 0.00 N ATOM 169 CA THR A 14 8.533 -3.933 -6.830 1.00 0.00 C ATOM 170 C THR A 14 8.881 -3.338 -8.189 1.00 0.00 C ATOM 171 O THR A 14 9.922 -2.702 -8.351 1.00 0.00 O ATOM 172 CB THR A 14 9.687 -4.845 -6.371 1.00 0.00 C ATOM 173 OG1 THR A 14 10.035 -5.757 -7.418 1.00 0.00 O ATOM 174 CG2 THR A 14 9.298 -5.623 -5.122 1.00 0.00 C ATOM 0 H THR A 14 7.365 -5.674 -6.847 1.00 0.00 H new ATOM 0 HA THR A 14 8.405 -3.128 -6.106 1.00 0.00 H new ATOM 0 HB THR A 14 10.546 -4.217 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.244 -6.274 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.128 -6.260 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.061 -4.926 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.426 -6.241 -5.335 1.00 0.00 H new ATOM 182 N ALA A 15 8.002 -3.548 -9.165 1.00 0.00 N ATOM 183 CA ALA A 15 8.215 -3.029 -10.510 1.00 0.00 C ATOM 184 C ALA A 15 7.623 -1.632 -10.659 1.00 0.00 C ATOM 185 O ALA A 15 8.102 -0.826 -11.458 1.00 0.00 O ATOM 186 CB ALA A 15 7.614 -3.973 -11.541 1.00 0.00 C ATOM 0 H ALA A 15 7.136 -4.074 -9.048 1.00 0.00 H new ATOM 0 HA ALA A 15 9.289 -2.959 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.780 -3.573 -12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.087 -4.951 -11.458 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.543 -4.072 -11.363 1.00 0.00 H new ATOM 192 N TYR A 16 6.577 -1.352 -9.889 1.00 0.00 N ATOM 193 CA TYR A 16 5.917 -0.053 -9.939 1.00 0.00 C ATOM 194 C TYR A 16 6.733 1.002 -9.198 1.00 0.00 C ATOM 195 O TYR A 16 7.435 0.712 -8.229 1.00 0.00 O ATOM 196 CB TYR A 16 4.515 -0.146 -9.335 1.00 0.00 C ATOM 197 CG TYR A 16 3.533 -0.905 -10.199 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.012 -0.337 -11.355 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.125 -2.189 -9.859 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.113 -1.027 -12.147 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.229 -2.886 -10.646 1.00 0.00 C ATOM 202 CZ TYR A 16 1.726 -2.301 -11.788 1.00 0.00 C ATOM 203 OH TYR A 16 0.832 -2.991 -12.574 1.00 0.00 O ATOM 0 H TYR A 16 6.168 -2.007 -9.223 1.00 0.00 H new ATOM 0 HA TYR A 16 5.836 0.245 -10.984 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.580 -0.631 -8.361 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.134 0.861 -9.165 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.314 0.660 -11.640 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.515 -2.650 -8.964 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.716 -0.571 -13.042 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.924 -3.884 -10.368 1.00 0.00 H new ATOM 0 HH TYR A 16 0.665 -3.874 -12.182 1.00 0.00 H new ATOM 213 N PRO A 17 6.639 2.256 -9.663 1.00 0.00 N ATOM 214 CA PRO A 17 7.360 3.380 -9.059 1.00 0.00 C ATOM 215 C PRO A 17 6.816 3.746 -7.683 1.00 0.00 C ATOM 216 O PRO A 17 7.537 4.284 -6.842 1.00 0.00 O ATOM 217 CB PRO A 17 7.125 4.525 -10.049 1.00 0.00 C ATOM 218 CG PRO A 17 5.850 4.174 -10.737 1.00 0.00 C ATOM 219 CD PRO A 17 5.821 2.673 -10.814 1.00 0.00 C ATOM 0 HA PRO A 17 8.412 3.148 -8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.047 5.483 -9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.948 4.610 -10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.991 4.553 -10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.809 4.617 -11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.804 2.287 -10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.236 2.311 -11.754 1.00 0.00 H new ATOM 227 N TRP A 18 5.540 3.450 -7.459 1.00 0.00 N ATOM 228 CA TRP A 18 4.900 3.748 -6.183 1.00 0.00 C ATOM 229 C TRP A 18 5.209 2.668 -5.153 1.00 0.00 C ATOM 230 O TRP A 18 4.568 2.592 -4.105 1.00 0.00 O ATOM 231 CB TRP A 18 3.386 3.876 -6.366 1.00 0.00 C ATOM 232 CG TRP A 18 2.807 2.830 -7.268 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.414 2.994 -8.566 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.552 1.460 -6.939 1.00 0.00 C ATOM 235 NE1 TRP A 18 1.931 1.808 -9.064 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.006 0.852 -8.086 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.734 0.688 -5.789 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.640 -0.492 -8.113 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.370 -0.645 -5.817 1.00 0.00 C ATOM 240 CH2 TRP A 18 1.829 -1.224 -6.972 1.00 0.00 C ATOM 0 H TRP A 18 4.929 3.004 -8.144 1.00 0.00 H new ATOM 0 HA TRP A 18 5.297 4.695 -5.819 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.903 3.813 -5.391 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.158 4.862 -6.771 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.474 3.920 -9.119 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.574 1.663 -10.009 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.152 1.125 -4.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.222 -0.940 -9.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.505 -1.251 -4.933 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.556 -2.269 -6.962 1.00 0.00 H new ATOM 251 N PHE A 19 6.197 1.832 -5.457 1.00 0.00 N ATOM 252 CA PHE A 19 6.592 0.755 -4.557 1.00 0.00 C ATOM 253 C PHE A 19 7.661 1.228 -3.578 1.00 0.00 C ATOM 254 O PHE A 19 8.688 1.774 -3.980 1.00 0.00 O ATOM 255 CB PHE A 19 7.111 -0.442 -5.357 1.00 0.00 C ATOM 256 CG PHE A 19 7.991 -1.361 -4.558 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.440 -2.355 -3.767 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.369 -1.230 -4.601 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.247 -3.202 -3.031 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.182 -2.073 -3.866 1.00 0.00 C ATOM 261 CZ PHE A 19 9.620 -3.061 -3.081 1.00 0.00 C ATOM 0 H PHE A 19 6.739 1.880 -6.320 1.00 0.00 H new ATOM 0 HA PHE A 19 5.713 0.450 -3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.262 -1.008 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.668 -0.078 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.367 -2.470 -3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.813 -0.461 -5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.805 -3.973 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.255 -1.959 -3.906 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.253 -3.722 -2.507 1.00 0.00 H new ATOM 271 N ALA A 20 7.412 1.015 -2.289 1.00 0.00 N ATOM 272 CA ALA A 20 8.353 1.418 -1.252 1.00 0.00 C ATOM 273 C ALA A 20 9.121 0.217 -0.712 1.00 0.00 C ATOM 274 O ALA A 20 10.344 0.255 -0.587 1.00 0.00 O ATOM 275 CB ALA A 20 7.622 2.131 -0.125 1.00 0.00 C ATOM 0 H ALA A 20 6.566 0.565 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 20 9.073 2.106 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.337 2.426 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.124 3.018 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.880 1.461 0.309 1.00 0.00 H new ATOM 281 N GLY A 21 8.394 -0.849 -0.391 1.00 0.00 N ATOM 282 CA GLY A 21 9.025 -2.047 0.134 1.00 0.00 C ATOM 283 C GLY A 21 9.136 -2.028 1.646 1.00 0.00 C ATOM 284 O GLY A 21 8.296 -1.445 2.330 1.00 0.00 O ATOM 0 H GLY A 21 7.380 -0.905 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.451 -2.921 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.020 -2.150 -0.299 1.00 0.00 H new ATOM 288 N ASN A 22 10.175 -2.670 2.169 1.00 0.00 N ATOM 289 CA ASN A 22 10.391 -2.728 3.610 1.00 0.00 C ATOM 290 C ASN A 22 11.001 -1.425 4.122 1.00 0.00 C ATOM 291 O ASN A 22 12.048 -1.430 4.768 1.00 0.00 O ATOM 292 CB ASN A 22 11.303 -3.904 3.964 1.00 0.00 C ATOM 293 CG ASN A 22 12.460 -4.051 2.994 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.497 -4.987 2.194 1.00 0.00 O ATOM 295 ND2 ASN A 22 13.409 -3.126 3.059 1.00 0.00 N ATOM 0 H ASN A 22 10.881 -3.157 1.617 1.00 0.00 H new ATOM 0 HA ASN A 22 9.423 -2.870 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.693 -3.767 4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.719 -4.824 3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.211 -3.173 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.337 -2.368 3.738 1.00 0.00 H new ATOM 302 N MET A 23 10.338 -0.312 3.825 1.00 0.00 N ATOM 303 CA MET A 23 10.814 0.998 4.256 1.00 0.00 C ATOM 304 C MET A 23 10.473 1.244 5.724 1.00 0.00 C ATOM 305 O MET A 23 9.572 0.613 6.275 1.00 0.00 O ATOM 306 CB MET A 23 10.202 2.097 3.388 1.00 0.00 C ATOM 307 CG MET A 23 11.059 3.349 3.297 1.00 0.00 C ATOM 308 SD MET A 23 10.855 4.220 1.732 1.00 0.00 S ATOM 309 CE MET A 23 9.215 4.910 1.941 1.00 0.00 C ATOM 0 H MET A 23 9.471 -0.291 3.288 1.00 0.00 H new ATOM 0 HA MET A 23 11.898 1.018 4.144 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.037 1.706 2.384 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.225 2.364 3.790 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.803 4.020 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 23 12.107 3.077 3.423 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.000 5.593 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.480 4.105 1.946 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.166 5.452 2.886 1.00 0.00 H new ATOM 319 N GLU A 24 11.202 2.164 6.348 1.00 0.00 N ATOM 320 CA GLU A 24 10.977 2.491 7.752 1.00 0.00 C ATOM 321 C GLU A 24 9.781 3.427 7.907 1.00 0.00 C ATOM 322 O GLU A 24 9.672 4.433 7.205 1.00 0.00 O ATOM 323 CB GLU A 24 12.225 3.137 8.354 1.00 0.00 C ATOM 324 CG GLU A 24 13.388 2.173 8.524 1.00 0.00 C ATOM 325 CD GLU A 24 14.173 1.974 7.242 1.00 0.00 C ATOM 326 OE1 GLU A 24 15.082 2.788 6.972 1.00 0.00 O ATOM 327 OE2 GLU A 24 13.879 1.007 6.510 1.00 0.00 O ATOM 0 H GLU A 24 11.952 2.695 5.905 1.00 0.00 H new ATOM 0 HA GLU A 24 10.763 1.565 8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.539 3.964 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.971 3.562 9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.055 2.548 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.010 1.210 8.867 1.00 0.00 H new ATOM 334 N ARG A 25 8.888 3.088 8.830 1.00 0.00 N ATOM 335 CA ARG A 25 7.700 3.895 9.076 1.00 0.00 C ATOM 336 C ARG A 25 8.071 5.361 9.280 1.00 0.00 C ATOM 337 O ARG A 25 7.499 6.249 8.648 1.00 0.00 O ATOM 338 CB ARG A 25 6.948 3.374 10.303 1.00 0.00 C ATOM 339 CG ARG A 25 7.826 3.212 11.533 1.00 0.00 C ATOM 340 CD ARG A 25 7.117 2.426 12.624 1.00 0.00 C ATOM 341 NE ARG A 25 7.798 2.540 13.911 1.00 0.00 N ATOM 342 CZ ARG A 25 8.982 1.993 14.167 1.00 0.00 C ATOM 343 NH1 ARG A 25 9.612 1.299 13.229 1.00 0.00 N ATOM 344 NH2 ARG A 25 9.538 2.140 15.363 1.00 0.00 N ATOM 0 H ARG A 25 8.965 2.260 9.420 1.00 0.00 H new ATOM 0 HA ARG A 25 7.053 3.819 8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.133 4.059 10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.496 2.412 10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.749 2.702 11.258 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.105 4.194 11.914 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.093 2.786 12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.060 1.376 12.336 1.00 0.00 H new ATOM 0 HE ARG A 25 7.340 3.068 14.654 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.188 1.184 12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.521 0.880 13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.057 2.673 16.087 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.447 1.720 15.558 1.00 0.00 H new ATOM 358 N GLN A 26 9.031 5.605 10.166 1.00 0.00 N ATOM 359 CA GLN A 26 9.477 6.964 10.453 1.00 0.00 C ATOM 360 C GLN A 26 9.931 7.668 9.179 1.00 0.00 C ATOM 361 O GLN A 26 9.511 8.790 8.896 1.00 0.00 O ATOM 362 CB GLN A 26 10.618 6.944 11.473 1.00 0.00 C ATOM 363 CG GLN A 26 11.778 6.047 11.071 1.00 0.00 C ATOM 364 CD GLN A 26 12.537 5.504 12.265 1.00 0.00 C ATOM 365 OE1 GLN A 26 11.943 4.963 13.199 1.00 0.00 O ATOM 366 NE2 GLN A 26 13.857 5.645 12.242 1.00 0.00 N ATOM 0 H GLN A 26 9.515 4.881 10.697 1.00 0.00 H new ATOM 0 HA GLN A 26 8.635 7.516 10.871 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.987 7.960 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.228 6.611 12.435 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.400 5.215 10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.463 6.608 10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.308 6.100 11.448 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.420 5.299 13.018 1.00 0.00 H new ATOM 375 N GLN A 27 10.790 7.003 8.415 1.00 0.00 N ATOM 376 CA GLN A 27 11.301 7.566 7.171 1.00 0.00 C ATOM 377 C GLN A 27 10.162 7.882 6.207 1.00 0.00 C ATOM 378 O GLN A 27 10.118 8.960 5.612 1.00 0.00 O ATOM 379 CB GLN A 27 12.286 6.598 6.514 1.00 0.00 C ATOM 380 CG GLN A 27 13.383 7.291 5.721 1.00 0.00 C ATOM 381 CD GLN A 27 12.855 8.420 4.858 1.00 0.00 C ATOM 382 OE1 GLN A 27 12.448 9.465 5.364 1.00 0.00 O ATOM 383 NE2 GLN A 27 12.860 8.214 3.546 1.00 0.00 N ATOM 0 H GLN A 27 11.147 6.073 8.635 1.00 0.00 H new ATOM 0 HA GLN A 27 11.819 8.495 7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.743 5.978 7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.737 5.929 5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.131 7.684 6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.886 6.560 5.088 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.207 7.332 3.170 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.517 8.938 2.915 1.00 0.00 H new ATOM 392 N THR A 28 9.241 6.936 6.059 1.00 0.00 N ATOM 393 CA THR A 28 8.101 7.113 5.166 1.00 0.00 C ATOM 394 C THR A 28 7.233 8.285 5.609 1.00 0.00 C ATOM 395 O THR A 28 6.868 9.139 4.801 1.00 0.00 O ATOM 396 CB THR A 28 7.235 5.841 5.104 1.00 0.00 C ATOM 397 OG1 THR A 28 8.064 4.677 5.198 1.00 0.00 O ATOM 398 CG2 THR A 28 6.434 5.795 3.811 1.00 0.00 C ATOM 0 H THR A 28 9.261 6.040 6.545 1.00 0.00 H new ATOM 0 HA THR A 28 8.504 7.318 4.174 1.00 0.00 H new ATOM 0 HB THR A 28 6.541 5.860 5.944 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.314 4.528 6.134 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.830 4.888 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.782 6.667 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.116 5.797 2.960 1.00 0.00 H new ATOM 406 N ASP A 29 6.906 8.320 6.896 1.00 0.00 N ATOM 407 CA ASP A 29 6.081 9.389 7.446 1.00 0.00 C ATOM 408 C ASP A 29 6.784 10.737 7.320 1.00 0.00 C ATOM 409 O ASP A 29 6.137 11.779 7.233 1.00 0.00 O ATOM 410 CB ASP A 29 5.753 9.106 8.913 1.00 0.00 C ATOM 411 CG ASP A 29 4.696 10.043 9.462 1.00 0.00 C ATOM 412 OD1 ASP A 29 4.683 11.224 9.056 1.00 0.00 O ATOM 413 OD2 ASP A 29 3.882 9.597 10.298 1.00 0.00 O ATOM 0 H ASP A 29 7.200 7.620 7.578 1.00 0.00 H new ATOM 0 HA ASP A 29 5.153 9.428 6.876 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.409 8.077 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.661 9.198 9.509 1.00 0.00 H new ATOM 418 N ASN A 30 8.113 10.707 7.313 1.00 0.00 N ATOM 419 CA ASN A 30 8.903 11.927 7.199 1.00 0.00 C ATOM 420 C ASN A 30 9.016 12.369 5.743 1.00 0.00 C ATOM 421 O ASN A 30 8.511 13.426 5.363 1.00 0.00 O ATOM 422 CB ASN A 30 10.300 11.711 7.788 1.00 0.00 C ATOM 423 CG ASN A 30 10.307 11.790 9.303 1.00 0.00 C ATOM 424 OD1 ASN A 30 9.672 12.665 9.893 1.00 0.00 O ATOM 425 ND2 ASN A 30 11.027 10.873 9.938 1.00 0.00 N ATOM 0 H ASN A 30 8.665 9.852 7.385 1.00 0.00 H new ATOM 0 HA ASN A 30 8.396 12.712 7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.676 10.737 7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.981 12.460 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.070 10.874 10.957 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.537 10.167 9.407 1.00 0.00 H new ATOM 432 N LEU A 31 9.682 11.553 4.933 1.00 0.00 N ATOM 433 CA LEU A 31 9.860 11.858 3.518 1.00 0.00 C ATOM 434 C LEU A 31 8.539 12.272 2.879 1.00 0.00 C ATOM 435 O LEU A 31 8.497 13.173 2.039 1.00 0.00 O ATOM 436 CB LEU A 31 10.439 10.648 2.783 1.00 0.00 C ATOM 437 CG LEU A 31 9.448 9.534 2.441 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.861 9.750 1.055 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.123 8.173 2.532 1.00 0.00 C ATOM 0 H LEU A 31 10.107 10.675 5.232 1.00 0.00 H new ATOM 0 HA LEU A 31 10.558 12.692 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.898 10.996 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.236 10.224 3.394 1.00 0.00 H new ATOM 0 HG LEU A 31 8.634 9.562 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.158 8.948 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.341 10.707 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.662 9.749 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.403 7.393 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.956 8.133 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.494 8.018 3.545 1.00 0.00 H new ATOM 451 N LEU A 32 7.460 11.609 3.282 1.00 0.00 N ATOM 452 CA LEU A 32 6.135 11.909 2.751 1.00 0.00 C ATOM 453 C LEU A 32 5.764 13.367 3.002 1.00 0.00 C ATOM 454 O LEU A 32 5.081 13.994 2.193 1.00 0.00 O ATOM 455 CB LEU A 32 5.090 10.989 3.383 1.00 0.00 C ATOM 456 CG LEU A 32 4.818 9.676 2.648 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.593 8.985 3.224 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.641 9.926 1.157 1.00 0.00 C ATOM 0 H LEU A 32 7.477 10.860 3.975 1.00 0.00 H new ATOM 0 HA LEU A 32 6.156 11.739 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.409 10.754 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.152 11.539 3.462 1.00 0.00 H new ATOM 0 HG LEU A 32 5.677 9.020 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.416 8.053 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.759 8.771 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.725 9.635 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.448 8.981 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.800 10.601 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.548 10.376 0.753 1.00 0.00 H new ATOM 470 N LYS A 33 6.220 13.902 4.129 1.00 0.00 N ATOM 471 CA LYS A 33 5.941 15.288 4.488 1.00 0.00 C ATOM 472 C LYS A 33 6.517 16.245 3.450 1.00 0.00 C ATOM 473 O LYS A 33 5.855 17.194 3.032 1.00 0.00 O ATOM 474 CB LYS A 33 6.519 15.606 5.868 1.00 0.00 C ATOM 475 CG LYS A 33 5.827 14.869 7.003 1.00 0.00 C ATOM 476 CD LYS A 33 6.675 14.865 8.264 1.00 0.00 C ATOM 477 CE LYS A 33 6.390 16.082 9.132 1.00 0.00 C ATOM 478 NZ LYS A 33 6.954 15.931 10.500 1.00 0.00 N ATOM 0 H LYS A 33 6.785 13.396 4.811 1.00 0.00 H new ATOM 0 HA LYS A 33 4.859 15.419 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.579 15.354 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.446 16.679 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.866 15.340 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.620 13.843 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.478 13.957 8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.731 14.849 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.811 16.970 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.313 16.237 9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.739 16.780 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.533 15.098 10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.985 15.809 10.439 1.00 0.00 H new ATOM 492 N SER A 34 7.755 15.989 3.039 1.00 0.00 N ATOM 493 CA SER A 34 8.422 16.830 2.052 1.00 0.00 C ATOM 494 C SER A 34 7.738 16.718 0.692 1.00 0.00 C ATOM 495 O SER A 34 8.118 17.394 -0.264 1.00 0.00 O ATOM 496 CB SER A 34 9.895 16.438 1.928 1.00 0.00 C ATOM 497 OG SER A 34 10.657 17.489 1.360 1.00 0.00 O ATOM 0 H SER A 34 8.316 15.206 3.374 1.00 0.00 H new ATOM 0 HA SER A 34 8.356 17.865 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.292 16.188 2.912 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.986 15.544 1.311 1.00 0.00 H new ATOM 0 HG SER A 34 10.176 17.864 0.593 1.00 0.00 H new ATOM 503 N HIS A 35 6.726 15.859 0.615 1.00 0.00 N ATOM 504 CA HIS A 35 5.988 15.658 -0.627 1.00 0.00 C ATOM 505 C HIS A 35 4.661 16.410 -0.599 1.00 0.00 C ATOM 506 O HIS A 35 4.300 17.012 0.413 1.00 0.00 O ATOM 507 CB HIS A 35 5.738 14.168 -0.861 1.00 0.00 C ATOM 508 CG HIS A 35 6.821 13.494 -1.646 1.00 0.00 C ATOM 509 ND1 HIS A 35 7.011 13.700 -2.996 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.776 12.614 -1.263 1.00 0.00 C ATOM 511 CE1 HIS A 35 8.035 12.976 -3.410 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.518 12.307 -2.377 1.00 0.00 N ATOM 0 H HIS A 35 6.399 15.292 1.397 1.00 0.00 H new ATOM 0 HA HIS A 35 6.591 16.051 -1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.636 13.670 0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.790 14.045 -1.386 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.926 12.226 -0.267 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.414 12.937 -4.421 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.312 11.667 -2.403 1.00 0.00 H new ATOM 521 N ALA A 36 3.941 16.372 -1.715 1.00 0.00 N ATOM 522 CA ALA A 36 2.653 17.049 -1.816 1.00 0.00 C ATOM 523 C ALA A 36 1.561 16.260 -1.103 1.00 0.00 C ATOM 524 O ALA A 36 1.823 15.212 -0.513 1.00 0.00 O ATOM 525 CB ALA A 36 2.286 17.265 -3.277 1.00 0.00 C ATOM 0 H ALA A 36 4.227 15.880 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 36 2.739 18.019 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.323 17.771 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.049 17.877 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.223 16.301 -3.783 1.00 0.00 H new ATOM 531 N SER A 37 0.335 16.771 -1.162 1.00 0.00 N ATOM 532 CA SER A 37 -0.798 16.116 -0.518 1.00 0.00 C ATOM 533 C SER A 37 -1.405 15.057 -1.433 1.00 0.00 C ATOM 534 O SER A 37 -2.522 14.593 -1.207 1.00 0.00 O ATOM 535 CB SER A 37 -1.861 17.147 -0.135 1.00 0.00 C ATOM 536 OG SER A 37 -2.516 17.654 -1.285 1.00 0.00 O ATOM 0 H SER A 37 0.101 17.636 -1.649 1.00 0.00 H new ATOM 0 HA SER A 37 -0.437 15.626 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.592 16.690 0.532 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.397 17.966 0.414 1.00 0.00 H new ATOM 0 HG SER A 37 -3.192 18.310 -1.014 1.00 0.00 H new ATOM 542 N GLY A 38 -0.661 14.681 -2.468 1.00 0.00 N ATOM 543 CA GLY A 38 -1.141 13.680 -3.403 1.00 0.00 C ATOM 544 C GLY A 38 -0.171 12.527 -3.568 1.00 0.00 C ATOM 545 O GLY A 38 -0.446 11.574 -4.298 1.00 0.00 O ATOM 0 H GLY A 38 0.266 15.052 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.101 13.296 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.314 14.147 -4.373 1.00 0.00 H new ATOM 549 N THR A 39 0.968 12.613 -2.889 1.00 0.00 N ATOM 550 CA THR A 39 1.984 11.570 -2.965 1.00 0.00 C ATOM 551 C THR A 39 1.556 10.328 -2.190 1.00 0.00 C ATOM 552 O THR A 39 1.221 10.406 -1.008 1.00 0.00 O ATOM 553 CB THR A 39 3.336 12.062 -2.417 1.00 0.00 C ATOM 554 OG1 THR A 39 3.816 13.156 -3.207 1.00 0.00 O ATOM 555 CG2 THR A 39 4.362 10.939 -2.420 1.00 0.00 C ATOM 0 H THR A 39 1.211 13.394 -2.280 1.00 0.00 H new ATOM 0 HA THR A 39 2.098 11.316 -4.019 1.00 0.00 H new ATOM 0 HB THR A 39 3.187 12.394 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.676 12.915 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.309 11.310 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.007 10.120 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.506 10.581 -3.439 1.00 0.00 H new ATOM 563 N TYR A 40 1.570 9.183 -2.864 1.00 0.00 N ATOM 564 CA TYR A 40 1.182 7.924 -2.238 1.00 0.00 C ATOM 565 C TYR A 40 2.266 6.867 -2.425 1.00 0.00 C ATOM 566 O TYR A 40 3.206 7.054 -3.199 1.00 0.00 O ATOM 567 CB TYR A 40 -0.139 7.425 -2.826 1.00 0.00 C ATOM 568 CG TYR A 40 0.007 6.781 -4.186 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.158 7.554 -5.331 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.003 5.399 -4.326 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.292 6.970 -6.575 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.131 4.806 -5.567 1.00 0.00 C ATOM 573 CZ TYR A 40 0.278 5.595 -6.688 1.00 0.00 C ATOM 574 OH TYR A 40 0.412 5.009 -7.926 1.00 0.00 O ATOM 0 H TYR A 40 1.845 9.101 -3.843 1.00 0.00 H new ATOM 0 HA TYR A 40 1.053 8.102 -1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.584 6.705 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.832 8.263 -2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.171 8.631 -5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.117 4.777 -3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.407 7.586 -7.455 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.121 3.730 -5.658 1.00 0.00 H new ATOM 0 HH TYR A 40 0.906 4.167 -7.838 1.00 0.00 H new ATOM 584 N LEU A 41 2.127 5.756 -1.710 1.00 0.00 N ATOM 585 CA LEU A 41 3.094 4.666 -1.796 1.00 0.00 C ATOM 586 C LEU A 41 2.571 3.419 -1.091 1.00 0.00 C ATOM 587 O LEU A 41 1.620 3.487 -0.310 1.00 0.00 O ATOM 588 CB LEU A 41 4.428 5.091 -1.180 1.00 0.00 C ATOM 589 CG LEU A 41 4.485 5.117 0.348 1.00 0.00 C ATOM 590 CD1 LEU A 41 4.918 3.762 0.888 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.428 6.210 0.829 1.00 0.00 C ATOM 0 H LEU A 41 1.355 5.586 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 41 3.246 4.430 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.203 4.415 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.675 6.086 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 41 3.486 5.335 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.953 3.799 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.205 3.000 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.907 3.515 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.456 6.213 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.429 6.023 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.075 7.178 0.472 1.00 0.00 H new ATOM 603 N ILE A 42 3.199 2.281 -1.368 1.00 0.00 N ATOM 604 CA ILE A 42 2.799 1.019 -0.759 1.00 0.00 C ATOM 605 C ILE A 42 3.988 0.323 -0.105 1.00 0.00 C ATOM 606 O ILE A 42 4.937 -0.073 -0.782 1.00 0.00 O ATOM 607 CB ILE A 42 2.167 0.069 -1.793 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.773 0.562 -2.185 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.099 -1.347 -1.240 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.775 1.503 -3.368 1.00 0.00 C ATOM 0 H ILE A 42 3.987 2.208 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 42 2.057 1.258 0.003 1.00 0.00 H new ATOM 0 HB ILE A 42 2.792 0.059 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.144 -0.298 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.321 1.066 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.650 -2.006 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.105 -1.695 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.493 -1.355 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.247 1.812 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.377 2.381 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.197 0.996 -4.236 1.00 0.00 H new ATOM 622 N ARG A 43 3.930 0.176 1.214 1.00 0.00 N ATOM 623 CA ARG A 43 5.001 -0.472 1.959 1.00 0.00 C ATOM 624 C ARG A 43 4.570 -1.856 2.438 1.00 0.00 C ATOM 625 O ARG A 43 3.391 -2.205 2.377 1.00 0.00 O ATOM 626 CB ARG A 43 5.413 0.387 3.155 1.00 0.00 C ATOM 627 CG ARG A 43 4.273 0.676 4.119 1.00 0.00 C ATOM 628 CD ARG A 43 4.486 1.987 4.859 1.00 0.00 C ATOM 629 NE ARG A 43 5.175 1.793 6.132 1.00 0.00 N ATOM 630 CZ ARG A 43 6.493 1.681 6.246 1.00 0.00 C ATOM 631 NH1 ARG A 43 7.263 1.745 5.167 1.00 0.00 N ATOM 632 NH2 ARG A 43 7.045 1.505 7.440 1.00 0.00 N ATOM 0 H ARG A 43 3.151 0.498 1.789 1.00 0.00 H new ATOM 0 HA ARG A 43 5.855 -0.586 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.215 -0.117 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.818 1.331 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.332 0.716 3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.188 -0.139 4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.065 2.666 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.522 2.463 5.038 1.00 0.00 H new ATOM 0 HE ARG A 43 4.612 1.741 6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.842 1.881 4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.275 1.659 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.457 1.456 8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.058 1.419 7.526 1.00 0.00 H new ATOM 646 N GLU A 44 5.533 -2.639 2.913 1.00 0.00 N ATOM 647 CA GLU A 44 5.253 -3.985 3.400 1.00 0.00 C ATOM 648 C GLU A 44 5.608 -4.112 4.879 1.00 0.00 C ATOM 649 O GLU A 44 6.780 -4.230 5.238 1.00 0.00 O ATOM 650 CB GLU A 44 6.032 -5.018 2.586 1.00 0.00 C ATOM 651 CG GLU A 44 6.096 -6.388 3.242 1.00 0.00 C ATOM 652 CD GLU A 44 6.540 -7.475 2.283 1.00 0.00 C ATOM 653 OE1 GLU A 44 6.450 -7.257 1.056 1.00 0.00 O ATOM 654 OE2 GLU A 44 6.977 -8.543 2.759 1.00 0.00 O ATOM 0 H GLU A 44 6.514 -2.365 2.971 1.00 0.00 H new ATOM 0 HA GLU A 44 4.186 -4.172 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.571 -5.116 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.047 -4.653 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.784 -6.350 4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.114 -6.641 3.642 1.00 0.00 H new ATOM 661 N ARG A 45 4.588 -4.089 5.731 1.00 0.00 N ATOM 662 CA ARG A 45 4.793 -4.201 7.170 1.00 0.00 C ATOM 663 C ARG A 45 4.762 -5.661 7.612 1.00 0.00 C ATOM 664 O ARG A 45 3.908 -6.444 7.193 1.00 0.00 O ATOM 665 CB ARG A 45 3.723 -3.406 7.922 1.00 0.00 C ATOM 666 CG ARG A 45 4.108 -3.067 9.352 1.00 0.00 C ATOM 667 CD ARG A 45 3.156 -2.049 9.959 1.00 0.00 C ATOM 668 NE ARG A 45 3.132 -2.124 11.418 1.00 0.00 N ATOM 669 CZ ARG A 45 2.566 -1.205 12.192 1.00 0.00 C ATOM 670 NH1 ARG A 45 1.978 -0.147 11.650 1.00 0.00 N ATOM 671 NH2 ARG A 45 2.586 -1.343 13.512 1.00 0.00 N ATOM 0 H ARG A 45 3.612 -3.994 5.450 1.00 0.00 H new ATOM 0 HA ARG A 45 5.775 -3.789 7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.522 -2.482 7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.796 -3.979 7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.105 -3.975 9.956 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.124 -2.674 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.454 -1.046 9.652 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.151 -2.216 9.571 1.00 0.00 H new ATOM 0 HE ARG A 45 3.574 -2.926 11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.960 -0.037 10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.544 0.557 12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.036 -2.156 13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.151 -0.636 14.105 1.00 0.00 H new ATOM 685 N PRO A 46 5.713 -6.038 8.479 1.00 0.00 N ATOM 686 CA PRO A 46 5.816 -7.406 8.996 1.00 0.00 C ATOM 687 C PRO A 46 4.675 -7.753 9.946 1.00 0.00 C ATOM 688 O PRO A 46 4.600 -7.230 11.058 1.00 0.00 O ATOM 689 CB PRO A 46 7.153 -7.403 9.742 1.00 0.00 C ATOM 690 CG PRO A 46 7.371 -5.979 10.123 1.00 0.00 C ATOM 691 CD PRO A 46 6.762 -5.158 9.020 1.00 0.00 C ATOM 0 HA PRO A 46 5.759 -8.149 8.200 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.117 -8.047 10.621 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.960 -7.772 9.109 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.902 -5.755 11.081 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.434 -5.762 10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.347 -4.223 9.397 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.498 -4.896 8.260 1.00 0.00 H new ATOM 699 N ALA A 47 3.790 -8.639 9.502 1.00 0.00 N ATOM 700 CA ALA A 47 2.655 -9.058 10.315 1.00 0.00 C ATOM 701 C ALA A 47 1.873 -10.174 9.632 1.00 0.00 C ATOM 702 O ALA A 47 1.631 -10.127 8.426 1.00 0.00 O ATOM 703 CB ALA A 47 1.745 -7.872 10.603 1.00 0.00 C ATOM 0 H ALA A 47 3.837 -9.081 8.584 1.00 0.00 H new ATOM 0 HA ALA A 47 3.039 -9.445 11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.902 -8.200 11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.304 -7.106 11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.377 -7.460 9.664 1.00 0.00 H new ATOM 709 N GLU A 48 1.479 -11.177 10.411 1.00 0.00 N ATOM 710 CA GLU A 48 0.725 -12.306 9.879 1.00 0.00 C ATOM 711 C GLU A 48 -0.357 -11.831 8.913 1.00 0.00 C ATOM 712 O GLU A 48 -0.275 -12.065 7.708 1.00 0.00 O ATOM 713 CB GLU A 48 0.092 -13.108 11.018 1.00 0.00 C ATOM 714 CG GLU A 48 1.098 -13.890 11.843 1.00 0.00 C ATOM 715 CD GLU A 48 0.538 -14.333 13.181 1.00 0.00 C ATOM 716 OE1 GLU A 48 -0.383 -13.659 13.691 1.00 0.00 O ATOM 717 OE2 GLU A 48 1.019 -15.352 13.719 1.00 0.00 O ATOM 0 H GLU A 48 1.669 -11.230 11.412 1.00 0.00 H new ATOM 0 HA GLU A 48 1.417 -12.948 9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.451 -12.427 11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.640 -13.800 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.421 -14.766 11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.982 -13.275 12.009 1.00 0.00 H new ATOM 724 N ALA A 49 -1.371 -11.162 9.453 1.00 0.00 N ATOM 725 CA ALA A 49 -2.469 -10.652 8.641 1.00 0.00 C ATOM 726 C ALA A 49 -2.040 -9.424 7.847 1.00 0.00 C ATOM 727 O ALA A 49 -2.067 -9.429 6.616 1.00 0.00 O ATOM 728 CB ALA A 49 -3.667 -10.323 9.520 1.00 0.00 C ATOM 0 H ALA A 49 -1.455 -10.961 10.449 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.755 -11.429 7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.479 -9.943 8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.996 -11.224 10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.384 -9.566 10.252 1.00 0.00 H new ATOM 734 N GLU A 50 -1.645 -8.372 8.558 1.00 0.00 N ATOM 735 CA GLU A 50 -1.213 -7.137 7.918 1.00 0.00 C ATOM 736 C GLU A 50 0.177 -7.298 7.308 1.00 0.00 C ATOM 737 O GLU A 50 1.175 -6.873 7.890 1.00 0.00 O ATOM 738 CB GLU A 50 -1.208 -5.987 8.927 1.00 0.00 C ATOM 739 CG GLU A 50 -2.463 -5.922 9.782 1.00 0.00 C ATOM 740 CD GLU A 50 -2.377 -6.801 11.015 1.00 0.00 C ATOM 741 OE1 GLU A 50 -1.327 -6.775 11.689 1.00 0.00 O ATOM 742 OE2 GLU A 50 -3.360 -7.514 11.304 1.00 0.00 O ATOM 0 H GLU A 50 -1.616 -8.352 9.577 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.918 -6.907 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.340 -6.090 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.095 -5.045 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.636 -4.890 10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.322 -6.226 9.183 1.00 0.00 H new ATOM 749 N ARG A 51 0.232 -7.914 6.132 1.00 0.00 N ATOM 750 CA ARG A 51 1.498 -8.133 5.443 1.00 0.00 C ATOM 751 C ARG A 51 1.902 -6.898 4.642 1.00 0.00 C ATOM 752 O ARG A 51 3.089 -6.617 4.472 1.00 0.00 O ATOM 753 CB ARG A 51 1.396 -9.345 4.515 1.00 0.00 C ATOM 754 CG ARG A 51 2.637 -9.571 3.668 1.00 0.00 C ATOM 755 CD ARG A 51 2.496 -10.804 2.790 1.00 0.00 C ATOM 756 NE ARG A 51 3.697 -11.053 1.998 1.00 0.00 N ATOM 757 CZ ARG A 51 4.856 -11.440 2.521 1.00 0.00 C ATOM 758 NH1 ARG A 51 4.968 -11.622 3.829 1.00 0.00 N ATOM 759 NH2 ARG A 51 5.905 -11.646 1.734 1.00 0.00 N ATOM 0 H ARG A 51 -0.585 -8.270 5.636 1.00 0.00 H new ATOM 0 HA ARG A 51 2.263 -8.324 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.209 -10.236 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.536 -9.217 3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.816 -8.696 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.506 -9.682 4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.288 -11.672 3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.642 -10.679 2.124 1.00 0.00 H new ATOM 0 HE ARG A 51 3.644 -10.923 0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.164 -11.465 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.858 -11.919 4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.822 -11.507 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.794 -11.943 2.136 1.00 0.00 H new ATOM 773 N PHE A 52 0.908 -6.166 4.152 1.00 0.00 N ATOM 774 CA PHE A 52 1.159 -4.962 3.367 1.00 0.00 C ATOM 775 C PHE A 52 0.452 -3.757 3.979 1.00 0.00 C ATOM 776 O PHE A 52 -0.489 -3.905 4.758 1.00 0.00 O ATOM 777 CB PHE A 52 0.694 -5.162 1.924 1.00 0.00 C ATOM 778 CG PHE A 52 1.415 -6.270 1.209 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.704 -6.083 0.735 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.805 -7.499 1.014 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.370 -7.100 0.078 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.467 -8.519 0.358 1.00 0.00 C ATOM 783 CZ PHE A 52 2.750 -8.319 -0.112 1.00 0.00 C ATOM 0 H PHE A 52 -0.079 -6.385 4.284 1.00 0.00 H new ATOM 0 HA PHE A 52 2.232 -4.772 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.375 -5.374 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.836 -4.232 1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.194 -5.131 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.199 -7.661 1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.374 -6.942 -0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.981 -9.473 0.213 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.268 -9.115 -0.627 1.00 0.00 H new ATOM 793 N ALA A 53 0.913 -2.563 3.621 1.00 0.00 N ATOM 794 CA ALA A 53 0.324 -1.332 4.133 1.00 0.00 C ATOM 795 C ALA A 53 0.416 -0.210 3.104 1.00 0.00 C ATOM 796 O ALA A 53 1.227 -0.269 2.179 1.00 0.00 O ATOM 797 CB ALA A 53 1.007 -0.919 5.428 1.00 0.00 C ATOM 0 H ALA A 53 1.693 -2.422 2.978 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.731 -1.520 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.557 0.002 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.885 -1.707 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.069 -0.755 5.243 1.00 0.00 H new ATOM 803 N ILE A 54 -0.420 0.809 3.270 1.00 0.00 N ATOM 804 CA ILE A 54 -0.431 1.943 2.355 1.00 0.00 C ATOM 805 C ILE A 54 -0.097 3.241 3.083 1.00 0.00 C ATOM 806 O ILE A 54 -0.477 3.432 4.239 1.00 0.00 O ATOM 807 CB ILE A 54 -1.799 2.095 1.663 1.00 0.00 C ATOM 808 CG1 ILE A 54 -2.434 0.722 1.435 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.646 2.839 0.345 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.879 0.789 0.992 1.00 0.00 C ATOM 0 H ILE A 54 -1.098 0.872 4.029 1.00 0.00 H new ATOM 0 HA ILE A 54 0.330 1.746 1.600 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.455 2.675 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.857 0.184 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.372 0.145 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.621 2.938 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.231 3.829 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.976 2.283 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.263 -0.221 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.470 1.298 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.947 1.338 0.053 1.00 0.00 H new ATOM 822 N SER A 55 0.615 4.131 2.399 1.00 0.00 N ATOM 823 CA SER A 55 1.002 5.411 2.981 1.00 0.00 C ATOM 824 C SER A 55 0.830 6.541 1.972 1.00 0.00 C ATOM 825 O SER A 55 1.477 6.556 0.924 1.00 0.00 O ATOM 826 CB SER A 55 2.453 5.357 3.463 1.00 0.00 C ATOM 827 OG SER A 55 2.591 4.487 4.573 1.00 0.00 O ATOM 0 H SER A 55 0.936 3.989 1.441 1.00 0.00 H new ATOM 0 HA SER A 55 0.351 5.607 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.097 5.020 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.785 6.358 3.738 1.00 0.00 H new ATOM 0 HG SER A 55 2.104 4.855 5.340 1.00 0.00 H new ATOM 833 N ILE A 56 -0.046 7.487 2.295 1.00 0.00 N ATOM 834 CA ILE A 56 -0.302 8.622 1.418 1.00 0.00 C ATOM 835 C ILE A 56 -0.264 9.935 2.192 1.00 0.00 C ATOM 836 O ILE A 56 -0.666 9.996 3.355 1.00 0.00 O ATOM 837 CB ILE A 56 -1.666 8.493 0.715 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.854 7.074 0.175 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.781 9.513 -0.409 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.365 6.097 1.211 1.00 0.00 C ATOM 0 H ILE A 56 -0.590 7.489 3.158 1.00 0.00 H new ATOM 0 HA ILE A 56 0.487 8.624 0.666 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.453 8.692 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.552 7.102 -0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.902 6.713 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.750 9.410 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.687 10.518 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.988 9.342 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.475 5.111 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.657 6.040 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.332 6.435 1.584 1.00 0.00 H new ATOM 852 N LYS A 57 0.221 10.987 1.541 1.00 0.00 N ATOM 853 CA LYS A 57 0.309 12.301 2.166 1.00 0.00 C ATOM 854 C LYS A 57 -0.976 13.093 1.949 1.00 0.00 C ATOM 855 O LYS A 57 -1.245 13.568 0.846 1.00 0.00 O ATOM 856 CB LYS A 57 1.501 13.077 1.601 1.00 0.00 C ATOM 857 CG LYS A 57 1.718 14.426 2.266 1.00 0.00 C ATOM 858 CD LYS A 57 1.965 14.279 3.758 1.00 0.00 C ATOM 859 CE LYS A 57 2.237 15.625 4.413 1.00 0.00 C ATOM 860 NZ LYS A 57 2.916 15.474 5.730 1.00 0.00 N ATOM 0 H LYS A 57 0.560 10.955 0.579 1.00 0.00 H new ATOM 0 HA LYS A 57 0.450 12.159 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.403 12.475 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.352 13.228 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.568 14.928 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.846 15.058 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.098 13.813 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.813 13.614 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.856 16.232 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.297 16.160 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.557 16.278 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.203 15.449 6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.462 14.589 5.740 1.00 0.00 H new ATOM 874 N PHE A 58 -1.765 13.234 3.010 1.00 0.00 N ATOM 875 CA PHE A 58 -3.021 13.970 2.935 1.00 0.00 C ATOM 876 C PHE A 58 -3.364 14.598 4.284 1.00 0.00 C ATOM 877 O PHE A 58 -3.156 13.991 5.333 1.00 0.00 O ATOM 878 CB PHE A 58 -4.154 13.043 2.489 1.00 0.00 C ATOM 879 CG PHE A 58 -5.521 13.636 2.672 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.189 13.513 3.881 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.139 14.319 1.637 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.448 14.057 4.050 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.398 14.867 1.802 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.052 14.736 3.012 1.00 0.00 C ATOM 0 H PHE A 58 -1.556 12.848 3.931 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.903 14.767 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.014 12.791 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.093 12.111 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.720 12.986 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.631 14.425 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.959 13.951 4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.869 15.396 0.987 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.034 15.164 3.145 1.00 0.00 H new ATOM 894 N ASN A 59 -3.889 15.819 4.245 1.00 0.00 N ATOM 895 CA ASN A 59 -4.259 16.530 5.463 1.00 0.00 C ATOM 896 C ASN A 59 -3.024 16.871 6.290 1.00 0.00 C ATOM 897 O ASN A 59 -3.074 16.889 7.521 1.00 0.00 O ATOM 898 CB ASN A 59 -5.229 15.687 6.296 1.00 0.00 C ATOM 899 CG ASN A 59 -6.151 16.539 7.146 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.516 17.652 6.763 1.00 0.00 O ATOM 901 ND2 ASN A 59 -6.533 16.021 8.306 1.00 0.00 N ATOM 0 H ASN A 59 -4.067 16.336 3.384 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.750 17.460 5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.826 15.062 5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.662 15.016 6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.153 16.548 8.920 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.206 15.095 8.583 1.00 0.00 H new ATOM 908 N ASP A 60 -1.918 17.143 5.607 1.00 0.00 N ATOM 909 CA ASP A 60 -0.669 17.486 6.279 1.00 0.00 C ATOM 910 C ASP A 60 -0.297 16.424 7.309 1.00 0.00 C ATOM 911 O ASP A 60 0.373 16.716 8.299 1.00 0.00 O ATOM 912 CB ASP A 60 -0.789 18.852 6.955 1.00 0.00 C ATOM 913 CG ASP A 60 0.521 19.313 7.563 1.00 0.00 C ATOM 914 OD1 ASP A 60 1.446 19.650 6.795 1.00 0.00 O ATOM 915 OD2 ASP A 60 0.621 19.340 8.807 1.00 0.00 O ATOM 0 H ASP A 60 -1.860 17.133 4.589 1.00 0.00 H new ATOM 0 HA ASP A 60 0.120 17.529 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.126 19.587 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.551 18.804 7.733 1.00 0.00 H new ATOM 920 N GLU A 61 -0.737 15.194 7.068 1.00 0.00 N ATOM 921 CA GLU A 61 -0.451 14.090 7.977 1.00 0.00 C ATOM 922 C GLU A 61 -0.273 12.783 7.207 1.00 0.00 C ATOM 923 O GLU A 61 -1.083 12.443 6.345 1.00 0.00 O ATOM 924 CB GLU A 61 -1.575 13.940 9.004 1.00 0.00 C ATOM 925 CG GLU A 61 -1.755 15.161 9.891 1.00 0.00 C ATOM 926 CD GLU A 61 -2.740 14.921 11.018 1.00 0.00 C ATOM 927 OE1 GLU A 61 -2.472 14.042 11.864 1.00 0.00 O ATOM 928 OE2 GLU A 61 -3.779 15.614 11.056 1.00 0.00 O ATOM 0 H GLU A 61 -1.292 14.936 6.252 1.00 0.00 H new ATOM 0 HA GLU A 61 0.479 14.315 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.510 13.740 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.369 13.073 9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.790 15.446 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.099 15.999 9.285 1.00 0.00 H new ATOM 935 N VAL A 62 0.794 12.056 7.526 1.00 0.00 N ATOM 936 CA VAL A 62 1.078 10.787 6.866 1.00 0.00 C ATOM 937 C VAL A 62 0.266 9.654 7.480 1.00 0.00 C ATOM 938 O VAL A 62 0.516 9.238 8.612 1.00 0.00 O ATOM 939 CB VAL A 62 2.576 10.436 6.949 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.824 9.034 6.414 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.406 11.460 6.191 1.00 0.00 C ATOM 0 H VAL A 62 1.475 12.324 8.237 1.00 0.00 H new ATOM 0 HA VAL A 62 0.797 10.904 5.819 1.00 0.00 H new ATOM 0 HB VAL A 62 2.881 10.460 7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.887 8.802 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.258 8.314 7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.505 8.980 5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.461 11.196 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.103 11.471 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.250 12.448 6.624 1.00 0.00 H new ATOM 951 N LYS A 63 -0.709 9.156 6.727 1.00 0.00 N ATOM 952 CA LYS A 63 -1.559 8.067 7.196 1.00 0.00 C ATOM 953 C LYS A 63 -1.004 6.716 6.758 1.00 0.00 C ATOM 954 O LYS A 63 -0.369 6.605 5.709 1.00 0.00 O ATOM 955 CB LYS A 63 -2.984 8.241 6.666 1.00 0.00 C ATOM 956 CG LYS A 63 -3.504 9.664 6.774 1.00 0.00 C ATOM 957 CD LYS A 63 -3.846 10.025 8.210 1.00 0.00 C ATOM 958 CE LYS A 63 -4.910 11.109 8.275 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.640 11.094 9.573 1.00 0.00 N ATOM 0 H LYS A 63 -0.931 9.489 5.789 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.577 8.096 8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.015 7.930 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.651 7.577 7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.754 10.357 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.389 9.777 6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.198 9.137 8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.947 10.365 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.444 12.084 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.619 10.971 7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.356 11.848 9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.106 10.173 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.968 11.251 10.351 1.00 0.00 H new ATOM 973 N HIS A 64 -1.247 5.690 7.568 1.00 0.00 N ATOM 974 CA HIS A 64 -0.772 4.346 7.263 1.00 0.00 C ATOM 975 C HIS A 64 -1.917 3.338 7.324 1.00 0.00 C ATOM 976 O HIS A 64 -2.429 3.031 8.400 1.00 0.00 O ATOM 977 CB HIS A 64 0.332 3.938 8.238 1.00 0.00 C ATOM 978 CG HIS A 64 1.598 4.721 8.070 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.571 4.391 7.151 1.00 0.00 N ATOM 980 CD2 HIS A 64 2.046 5.827 8.710 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.564 5.259 7.233 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.270 6.141 8.172 1.00 0.00 N ATOM 0 H HIS A 64 -1.770 5.764 8.440 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.369 4.352 6.250 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.031 4.064 9.258 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.549 2.878 8.105 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.531 3.600 6.508 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.536 6.362 9.497 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.463 5.249 6.634 1.00 0.00 H new ATOM 991 N ILE A 65 -2.314 2.831 6.162 1.00 0.00 N ATOM 992 CA ILE A 65 -3.398 1.859 6.084 1.00 0.00 C ATOM 993 C ILE A 65 -2.877 0.438 6.266 1.00 0.00 C ATOM 994 O ILE A 65 -1.703 0.159 6.018 1.00 0.00 O ATOM 995 CB ILE A 65 -4.142 1.953 4.738 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.702 3.363 4.537 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.257 0.920 4.677 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.181 3.627 3.127 1.00 0.00 C ATOM 0 H ILE A 65 -1.902 3.077 5.262 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.092 2.095 6.891 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.436 1.745 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.530 3.518 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.932 4.091 4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.774 0.998 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.833 -0.079 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.964 1.099 5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.565 4.645 3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.351 3.504 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.973 2.923 2.874 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.757 -0.459 6.698 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.388 -1.853 6.911 1.00 0.00 C ATOM 1012 C LYS A 66 -4.012 -2.750 5.846 1.00 0.00 C ATOM 1013 O LYS A 66 -5.218 -2.699 5.606 1.00 0.00 O ATOM 1014 CB LYS A 66 -3.829 -2.312 8.302 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.320 -2.157 8.550 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.644 -2.188 10.035 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.925 -3.603 10.514 1.00 0.00 C ATOM 1018 NZ LYS A 66 -4.687 -4.286 10.980 1.00 0.00 N ATOM 0 H LYS A 66 -4.732 -0.245 6.908 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.303 -1.931 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.554 -3.358 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.283 -1.742 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.665 -1.217 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.859 -2.956 8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.810 -1.771 10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.510 -1.557 10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.652 -3.574 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.374 -4.178 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.698 -5.277 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.855 -3.806 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.642 -4.252 12.018 1.00 0.00 H new ATOM 1032 N VAL A 67 -3.182 -3.571 5.211 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.654 -4.482 4.173 1.00 0.00 C ATOM 1034 C VAL A 67 -3.728 -5.913 4.692 1.00 0.00 C ATOM 1035 O VAL A 67 -2.710 -6.595 4.813 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.739 -4.442 2.935 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.293 -5.333 1.834 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.573 -3.013 2.441 1.00 0.00 C ATOM 0 H VAL A 67 -2.180 -3.625 5.396 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.652 -4.150 3.888 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.757 -4.821 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.634 -5.292 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.356 -6.360 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.287 -4.986 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.923 -3.004 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.548 -2.605 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.129 -2.405 3.229 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.942 -6.364 4.995 1.00 0.00 N ATOM 1049 CA VAL A 68 -5.150 -7.717 5.498 1.00 0.00 C ATOM 1050 C VAL A 68 -5.124 -8.736 4.364 1.00 0.00 C ATOM 1051 O VAL A 68 -5.833 -8.588 3.370 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.489 -7.836 6.250 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.825 -9.296 6.515 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.440 -7.047 7.551 1.00 0.00 C ATOM 0 H VAL A 68 -5.795 -5.813 4.901 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.333 -7.927 6.189 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.276 -7.415 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.774 -9.360 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.903 -9.829 5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.038 -9.746 7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.394 -7.142 8.070 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.643 -7.437 8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.249 -5.996 7.332 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.303 -9.768 4.522 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.185 -10.812 3.510 1.00 0.00 C ATOM 1066 C GLU A 69 -4.535 -12.177 4.093 1.00 0.00 C ATOM 1067 O GLU A 69 -3.743 -12.777 4.821 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.767 -10.839 2.935 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.663 -11.567 1.606 1.00 0.00 C ATOM 1070 CD GLU A 69 -2.439 -13.057 1.774 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -1.264 -13.475 1.851 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -3.437 -13.806 1.829 1.00 0.00 O ATOM 0 H GLU A 69 -3.710 -9.904 5.340 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.889 -10.587 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.416 -9.815 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.101 -11.316 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.576 -11.403 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.843 -11.143 1.027 1.00 0.00 H new ATOM 1079 N LYS A 70 -5.728 -12.664 3.770 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.186 -13.959 4.260 1.00 0.00 C ATOM 1081 C LYS A 70 -7.043 -14.665 3.215 1.00 0.00 C ATOM 1082 O LYS A 70 -7.731 -14.019 2.424 1.00 0.00 O ATOM 1083 CB LYS A 70 -6.981 -13.785 5.556 1.00 0.00 C ATOM 1084 CG LYS A 70 -7.346 -15.098 6.226 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.478 -14.919 7.224 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.029 -14.127 8.442 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.054 -14.136 9.521 1.00 0.00 N ATOM 0 H LYS A 70 -6.396 -12.181 3.170 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.309 -14.575 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.398 -13.181 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.894 -13.230 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.639 -15.825 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.472 -15.503 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.311 -14.407 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.844 -15.896 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.097 -14.545 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.820 -13.098 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.708 -13.585 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.936 -13.714 9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.235 -15.116 9.820 1.00 0.00 H new ATOM 1101 N ASP A 71 -6.999 -15.993 3.218 1.00 0.00 N ATOM 1102 CA ASP A 71 -7.774 -16.785 2.271 1.00 0.00 C ATOM 1103 C ASP A 71 -7.433 -16.403 0.834 1.00 0.00 C ATOM 1104 O ASP A 71 -8.305 -16.371 -0.033 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.271 -16.597 2.521 1.00 0.00 C ATOM 1106 CG ASP A 71 -9.750 -17.335 3.756 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -9.768 -18.584 3.730 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.106 -16.665 4.747 1.00 0.00 O ATOM 0 H ASP A 71 -6.435 -16.543 3.866 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.518 -17.834 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.487 -15.534 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.828 -16.948 1.653 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.159 -16.112 0.592 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.703 -15.730 -0.740 1.00 0.00 C ATOM 1115 C ASN A 72 -6.426 -14.475 -1.223 1.00 0.00 C ATOM 1116 O ASN A 72 -6.698 -14.323 -2.414 1.00 0.00 O ATOM 1117 CB ASN A 72 -5.931 -16.875 -1.729 1.00 0.00 C ATOM 1118 CG ASN A 72 -4.919 -16.875 -2.858 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -4.390 -15.828 -3.231 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -4.647 -18.052 -3.409 1.00 0.00 N ATOM 0 H ASN A 72 -5.425 -16.133 1.300 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.636 -15.515 -0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.879 -17.826 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.935 -16.797 -2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.975 -18.114 -4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.110 -18.894 -3.067 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.732 -13.580 -0.291 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.423 -12.339 -0.621 1.00 0.00 C ATOM 1129 C TRP A 73 -6.678 -11.135 -0.054 1.00 0.00 C ATOM 1130 O TRP A 73 -5.870 -11.271 0.865 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.855 -12.369 -0.084 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.619 -13.589 -0.499 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.322 -14.431 0.314 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.755 -14.106 -1.828 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -10.887 -15.440 -0.429 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.554 -15.262 -1.746 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.280 -13.702 -3.078 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -10.887 -16.018 -2.867 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.612 -14.453 -4.190 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.409 -15.599 -4.079 1.00 0.00 C ATOM 0 H TRP A 73 -6.513 -13.690 0.699 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.453 -12.246 -1.707 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.828 -12.318 1.005 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.384 -11.482 -0.431 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.420 -14.320 1.384 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.461 -16.198 -0.060 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.665 -12.819 -3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.500 -16.903 -2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.250 -14.151 -5.162 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.651 -16.163 -4.967 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.957 -9.959 -0.604 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.315 -8.732 -0.151 1.00 0.00 C ATOM 1153 C ILE A 74 -7.318 -7.585 -0.064 1.00 0.00 C ATOM 1154 O ILE A 74 -8.005 -7.274 -1.037 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.162 -8.321 -1.086 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.904 -9.130 -0.767 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.886 -6.830 -0.963 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -2.958 -9.265 -1.939 1.00 0.00 C ATOM 0 H ILE A 74 -7.624 -9.830 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.912 -8.935 0.841 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.455 -8.532 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.378 -8.656 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.197 -10.125 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.069 -6.555 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.781 -6.271 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.610 -6.595 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.089 -9.850 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.467 -9.767 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.635 -8.275 -2.262 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.394 -6.961 1.107 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.311 -5.847 1.320 1.00 0.00 C ATOM 1172 C HIS A 75 -7.993 -5.124 2.625 1.00 0.00 C ATOM 1173 O HIS A 75 -7.012 -5.442 3.298 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.756 -6.345 1.338 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.968 -7.537 2.221 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.609 -7.561 3.552 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.508 -8.749 1.956 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.916 -8.737 4.068 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.464 -9.477 3.120 1.00 0.00 N ATOM 0 H HIS A 75 -6.832 -7.207 1.922 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.187 -5.144 0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.406 -5.536 1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.057 -6.598 0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.900 -9.082 1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.748 -9.042 5.090 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.800 -10.433 3.234 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.827 -4.152 2.976 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.635 -3.385 4.200 1.00 0.00 C ATOM 1190 C ILE A 76 -9.958 -3.165 4.926 1.00 0.00 C ATOM 1191 O ILE A 76 -11.025 -3.177 4.312 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.987 -2.017 3.913 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.962 -1.117 3.150 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.698 -2.197 3.125 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.389 0.239 2.805 1.00 0.00 C ATOM 0 H ILE A 76 -9.643 -3.877 2.430 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.968 -3.968 4.834 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.746 -1.539 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.264 -1.619 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.862 -0.980 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.252 -1.222 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.001 -2.806 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.916 -2.692 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.135 0.823 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.113 0.761 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.505 0.112 2.179 1.00 0.00 H new ATOM 1207 N THR A 77 -9.881 -2.963 6.238 1.00 0.00 N ATOM 1208 CA THR A 77 -11.072 -2.740 7.047 1.00 0.00 C ATOM 1209 C THR A 77 -12.270 -3.496 6.484 1.00 0.00 C ATOM 1210 O THR A 77 -13.399 -3.008 6.525 1.00 0.00 O ATOM 1211 CB THR A 77 -11.420 -1.242 7.135 1.00 0.00 C ATOM 1212 OG1 THR A 77 -12.372 -1.020 8.182 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.983 -0.740 5.815 1.00 0.00 C ATOM 0 H THR A 77 -9.006 -2.949 6.762 1.00 0.00 H new ATOM 0 HA THR A 77 -10.848 -3.113 8.047 1.00 0.00 H new ATOM 0 HB THR A 77 -10.505 -0.691 7.355 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.141 -1.615 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.222 0.320 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.244 -0.883 5.026 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.888 -1.297 5.570 1.00 0.00 H new ATOM 1221 N GLU A 78 -12.016 -4.690 5.957 1.00 0.00 N ATOM 1222 CA GLU A 78 -13.075 -5.512 5.385 1.00 0.00 C ATOM 1223 C GLU A 78 -14.138 -4.645 4.718 1.00 0.00 C ATOM 1224 O GLU A 78 -15.333 -4.815 4.955 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.718 -6.382 6.468 1.00 0.00 C ATOM 1226 CG GLU A 78 -13.014 -7.712 6.678 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.718 -8.591 7.694 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -13.780 -8.196 8.877 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -14.207 -9.671 7.306 1.00 0.00 O ATOM 0 H GLU A 78 -11.087 -5.109 5.915 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.629 -6.157 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.724 -5.831 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.758 -6.569 6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.953 -8.240 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.991 -7.529 7.008 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.692 -3.712 3.881 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.604 -2.818 3.178 1.00 0.00 C ATOM 1238 C ALA A 79 -14.879 -3.316 1.764 1.00 0.00 C ATOM 1239 O ALA A 79 -15.977 -3.139 1.234 1.00 0.00 O ATOM 1240 CB ALA A 79 -14.035 -1.407 3.142 1.00 0.00 C ATOM 0 H ALA A 79 -12.705 -3.556 3.674 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.550 -2.803 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.726 -0.749 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.896 -1.045 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.075 -1.415 2.625 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.877 -3.940 1.155 1.00 0.00 N ATOM 1247 CA LYS A 80 -14.010 -4.466 -0.198 1.00 0.00 C ATOM 1248 C LYS A 80 -12.899 -5.464 -0.507 1.00 0.00 C ATOM 1249 O LYS A 80 -11.717 -5.163 -0.343 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.981 -3.323 -1.216 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.901 -3.794 -2.657 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.280 -4.074 -3.230 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.939 -2.803 -3.744 1.00 0.00 C ATOM 1254 NZ LYS A 80 -17.423 -2.863 -3.634 1.00 0.00 N ATOM 0 H LYS A 80 -12.962 -4.094 1.578 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.967 -4.983 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.876 -2.714 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.126 -2.681 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.402 -3.036 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.293 -4.697 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.198 -4.796 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.909 -4.527 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.567 -1.948 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.658 -2.644 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.834 -1.978 -3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.780 -3.664 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.692 -2.989 -2.637 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.286 -6.653 -0.956 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.323 -7.695 -1.291 1.00 0.00 C ATOM 1270 C LYS A 81 -11.781 -7.502 -2.704 1.00 0.00 C ATOM 1271 O LYS A 81 -12.517 -7.120 -3.614 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.970 -9.076 -1.165 1.00 0.00 C ATOM 1273 CG LYS A 81 -14.402 -9.125 -1.671 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.803 -10.535 -2.070 1.00 0.00 C ATOM 1275 CE LYS A 81 -16.251 -10.591 -2.534 1.00 0.00 C ATOM 1276 NZ LYS A 81 -16.865 -11.924 -2.279 1.00 0.00 N ATOM 0 H LYS A 81 -14.261 -6.919 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.491 -7.625 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.373 -9.800 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.952 -9.382 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.076 -8.759 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.510 -8.459 -2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.150 -10.888 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.665 -11.207 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.827 -9.822 -2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.300 -10.367 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.851 -11.921 -2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.331 -12.656 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.842 -12.127 -1.259 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.492 -7.771 -2.881 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.853 -7.629 -4.184 1.00 0.00 C ATOM 1292 C PHE A 82 -9.090 -8.895 -4.557 1.00 0.00 C ATOM 1293 O PHE A 82 -8.698 -9.676 -3.690 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.902 -6.429 -4.180 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.604 -5.107 -4.298 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.425 -4.838 -5.381 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.442 -4.133 -3.326 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.071 -3.621 -5.492 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.086 -2.915 -3.431 1.00 0.00 C ATOM 1300 CZ PHE A 82 -10.903 -2.659 -4.516 1.00 0.00 C ATOM 0 H PHE A 82 -9.869 -8.089 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.633 -7.465 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.319 -6.441 -3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.197 -6.532 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.562 -5.587 -6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.805 -4.328 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.707 -3.423 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.951 -2.164 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.409 -1.709 -4.600 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.884 -9.094 -5.855 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.168 -10.266 -6.345 1.00 0.00 C ATOM 1312 C ASP A 83 -6.708 -10.235 -5.904 1.00 0.00 C ATOM 1313 O ASP A 83 -6.085 -11.279 -5.715 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.252 -10.339 -7.871 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.548 -11.560 -8.431 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -8.085 -12.676 -8.280 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -6.460 -11.397 -9.023 1.00 0.00 O ATOM 0 H ASP A 83 -9.203 -8.459 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.638 -11.153 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.299 -10.356 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.810 -9.440 -8.300 1.00 0.00 H new ATOM 1322 N SER A 84 -6.169 -9.030 -5.744 1.00 0.00 N ATOM 1323 CA SER A 84 -4.781 -8.864 -5.330 1.00 0.00 C ATOM 1324 C SER A 84 -4.513 -7.426 -4.893 1.00 0.00 C ATOM 1325 O SER A 84 -5.414 -6.585 -4.899 1.00 0.00 O ATOM 1326 CB SER A 84 -3.837 -9.247 -6.471 1.00 0.00 C ATOM 1327 OG SER A 84 -2.610 -9.748 -5.969 1.00 0.00 O ATOM 0 H SER A 84 -6.672 -8.156 -5.895 1.00 0.00 H new ATOM 0 HA SER A 84 -4.599 -9.523 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.310 -9.999 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.649 -8.377 -7.099 1.00 0.00 H new ATOM 0 HG SER A 84 -1.937 -9.036 -5.979 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.270 -7.151 -4.516 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.882 -5.816 -4.075 1.00 0.00 C ATOM 1335 C LEU A 85 -2.921 -4.828 -5.237 1.00 0.00 C ATOM 1336 O LEU A 85 -3.156 -3.633 -5.043 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.480 -5.846 -3.465 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.814 -4.487 -3.243 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.345 -3.834 -1.976 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.698 -4.639 -3.174 1.00 0.00 C ATOM 0 H LEU A 85 -2.513 -7.835 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.594 -5.489 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.534 -6.362 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.837 -6.442 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.055 -3.842 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.860 -2.868 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.422 -3.690 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.134 -4.475 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.155 -3.662 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.960 -5.300 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.064 -5.064 -4.109 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.691 -5.331 -6.444 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.702 -4.494 -7.638 1.00 0.00 C ATOM 1354 C LEU A 86 -4.080 -3.876 -7.857 1.00 0.00 C ATOM 1355 O LEU A 86 -4.202 -2.673 -8.085 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.297 -5.314 -8.864 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.030 -4.519 -10.144 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.030 -3.404 -9.882 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.528 -5.440 -11.247 1.00 0.00 C ATOM 0 H LEU A 86 -2.494 -6.316 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.982 -3.689 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.399 -5.880 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.085 -6.039 -9.068 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.967 -4.068 -10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.853 -2.850 -10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.428 -2.729 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.091 -3.832 -9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.343 -4.859 -12.150 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.602 -5.919 -10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.279 -6.203 -11.454 1.00 0.00 H new ATOM 1371 N GLU A 87 -5.115 -4.708 -7.783 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.483 -4.242 -7.972 1.00 0.00 C ATOM 1373 C GLU A 87 -6.889 -3.280 -6.859 1.00 0.00 C ATOM 1374 O GLU A 87 -7.593 -2.298 -7.098 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.448 -5.429 -8.013 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.608 -6.037 -9.396 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.661 -5.329 -10.226 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.540 -4.670 -9.631 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.608 -5.434 -11.469 1.00 0.00 O ATOM 0 H GLU A 87 -5.031 -5.707 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.531 -3.711 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.094 -6.198 -7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.424 -5.105 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.652 -5.998 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.875 -7.089 -9.298 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.441 -3.570 -5.642 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.757 -2.732 -4.492 1.00 0.00 C ATOM 1388 C LEU A 88 -6.197 -1.325 -4.672 1.00 0.00 C ATOM 1389 O LEU A 88 -6.823 -0.341 -4.277 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.197 -3.356 -3.213 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.335 -2.518 -1.940 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.385 -3.417 -0.714 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.190 -1.523 -1.829 1.00 0.00 C ATOM 0 H LEU A 88 -5.858 -4.379 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.842 -2.663 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.695 -4.312 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.140 -3.570 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.269 -1.959 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.483 -2.805 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.240 -4.089 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.468 -4.003 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.305 -0.936 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.242 -2.061 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.201 -0.858 -2.693 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.015 -1.236 -5.273 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.372 0.051 -5.510 1.00 0.00 C ATOM 1407 C VAL A 89 -4.984 0.758 -6.714 1.00 0.00 C ATOM 1408 O VAL A 89 -5.284 1.950 -6.659 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.858 -0.112 -5.739 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.205 1.242 -5.971 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.216 -0.829 -4.561 1.00 0.00 C ATOM 0 H VAL A 89 -4.483 -2.040 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.534 0.655 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.705 -0.719 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.135 1.107 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.647 1.713 -6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.364 1.877 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.146 -0.936 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.376 -0.250 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.665 -1.816 -4.447 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.168 0.014 -7.800 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.745 0.570 -9.018 1.00 0.00 C ATOM 1423 C GLU A 90 -7.155 1.094 -8.762 1.00 0.00 C ATOM 1424 O GLU A 90 -7.651 1.955 -9.490 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.774 -0.487 -10.124 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.427 -0.706 -10.792 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.175 0.263 -11.932 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.913 0.201 -12.937 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -3.241 1.083 -11.817 1.00 0.00 O ATOM 0 H GLU A 90 -4.926 -0.975 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.119 1.403 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.119 -1.431 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.501 -0.190 -10.880 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.636 -0.601 -10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.375 -1.727 -11.170 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.796 0.567 -7.726 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.150 0.977 -7.375 1.00 0.00 C ATOM 1438 C TYR A 91 -9.156 2.377 -6.769 1.00 0.00 C ATOM 1439 O TYR A 91 -9.927 3.243 -7.183 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.770 -0.019 -6.393 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.282 -0.009 -6.394 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -11.999 -0.517 -7.471 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.994 0.509 -5.320 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.380 -0.510 -7.477 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.375 0.518 -5.316 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.064 0.009 -6.397 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.441 0.017 -6.398 1.00 0.00 O ATOM 0 H TYR A 91 -7.399 -0.146 -7.114 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.745 0.994 -8.288 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.422 -1.022 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.414 0.206 -5.387 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.467 -0.924 -8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.458 0.912 -4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.921 -0.908 -8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.913 0.922 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.766 0.415 -5.564 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.288 2.592 -5.786 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.193 3.885 -5.118 1.00 0.00 C ATOM 1459 C TYR A 92 -7.465 4.898 -5.998 1.00 0.00 C ATOM 1460 O TYR A 92 -7.587 6.106 -5.800 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.467 3.740 -3.780 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.124 2.758 -2.838 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.508 2.640 -2.781 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.363 1.947 -2.006 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.113 1.743 -1.920 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.959 1.049 -1.142 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.335 0.950 -1.104 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.933 0.055 -0.246 1.00 0.00 O ATOM 0 H TYR A 92 -7.640 1.887 -5.434 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.205 4.248 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.441 3.422 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.416 4.716 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.121 3.259 -3.420 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.286 2.020 -2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.190 1.664 -1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.352 0.428 -0.500 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.243 -0.426 0.257 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.711 4.394 -6.969 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.963 5.254 -7.879 1.00 0.00 C ATOM 1480 C GLN A 93 -6.896 6.218 -8.607 1.00 0.00 C ATOM 1481 O GLN A 93 -6.469 7.274 -9.075 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.191 4.410 -8.893 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.790 4.038 -8.434 1.00 0.00 C ATOM 1484 CD GLN A 93 -2.962 3.408 -9.536 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.223 3.618 -10.721 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.957 2.629 -9.152 1.00 0.00 N ATOM 0 H GLN A 93 -6.602 3.395 -7.146 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.256 5.837 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.752 3.498 -9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.123 4.958 -9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.283 4.931 -8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.859 3.345 -7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.776 2.482 -8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.366 2.178 -9.850 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.167 5.846 -8.698 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.161 6.677 -9.370 1.00 0.00 C ATOM 1497 C CYS A 94 -10.327 6.991 -8.439 1.00 0.00 C ATOM 1498 O CYS A 94 -10.996 8.014 -8.587 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.672 5.979 -10.630 1.00 0.00 C ATOM 1500 SG CYS A 94 -10.969 6.887 -11.503 1.00 0.00 S ATOM 0 H CYS A 94 -8.535 4.975 -8.315 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.683 7.615 -9.652 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.834 5.820 -11.309 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.053 4.995 -10.358 1.00 0.00 H new ATOM 0 HG CYS A 94 -11.546 7.714 -10.683 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.566 6.103 -7.478 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.654 6.284 -6.523 1.00 0.00 C ATOM 1508 C HIS A 95 -11.119 6.758 -5.175 1.00 0.00 C ATOM 1509 O HIS A 95 -10.170 6.188 -4.638 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.429 4.978 -6.347 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.475 4.137 -7.586 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.351 2.764 -7.567 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.633 4.481 -8.884 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.431 2.300 -8.802 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.602 3.322 -9.620 1.00 0.00 N ATOM 0 H HIS A 95 -10.021 5.252 -7.340 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.327 7.046 -6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.974 4.400 -5.543 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.448 5.209 -6.036 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.218 2.195 -6.731 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.760 5.482 -9.270 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.367 1.262 -9.092 1.00 0.00 H new ATOM 1524 N SER A 96 -11.735 7.805 -4.635 1.00 0.00 N ATOM 1525 CA SER A 96 -11.318 8.359 -3.353 1.00 0.00 C ATOM 1526 C SER A 96 -11.291 7.277 -2.277 1.00 0.00 C ATOM 1527 O SER A 96 -12.081 6.332 -2.309 1.00 0.00 O ATOM 1528 CB SER A 96 -12.259 9.489 -2.931 1.00 0.00 C ATOM 1529 OG SER A 96 -12.062 9.836 -1.571 1.00 0.00 O ATOM 0 H SER A 96 -12.524 8.286 -5.066 1.00 0.00 H new ATOM 0 HA SER A 96 -10.310 8.759 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.089 10.362 -3.561 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.293 9.182 -3.085 1.00 0.00 H new ATOM 0 HG SER A 96 -11.694 10.742 -1.515 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.375 7.421 -1.325 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.244 6.457 -0.238 1.00 0.00 C ATOM 1537 C LEU A 97 -11.323 6.676 0.817 1.00 0.00 C ATOM 1538 O LEU A 97 -11.465 5.882 1.748 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.860 6.568 0.403 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.738 5.787 -0.283 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.379 6.338 0.121 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.837 4.306 0.053 1.00 0.00 C ATOM 0 H LEU A 97 -9.713 8.196 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.367 5.457 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.578 7.621 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.932 6.229 1.437 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.847 5.903 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.593 5.770 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.310 7.386 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.259 6.254 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.031 3.766 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.754 4.171 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.797 3.919 -0.288 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.084 7.754 0.664 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.155 8.075 1.601 1.00 0.00 C ATOM 1556 C LYS A 98 -13.983 6.836 1.925 1.00 0.00 C ATOM 1557 O LYS A 98 -14.308 6.583 3.085 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.057 9.168 1.021 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.172 8.632 0.141 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.150 9.728 -0.248 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.874 9.394 -1.544 1.00 0.00 C ATOM 1562 NZ LYS A 98 -18.116 8.610 -1.299 1.00 0.00 N ATOM 0 H LYS A 98 -11.979 8.421 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.701 8.438 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.494 9.739 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.448 9.860 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.745 8.188 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.703 7.839 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.878 9.868 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.615 10.671 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.124 10.316 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.209 8.827 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.766 8.730 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.876 7.603 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.574 8.948 -0.429 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.321 6.068 0.894 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.111 4.856 1.072 1.00 0.00 C ATOM 1578 C GLU A 99 -14.708 4.126 2.350 1.00 0.00 C ATOM 1579 O GLU A 99 -15.557 3.767 3.166 1.00 0.00 O ATOM 1580 CB GLU A 99 -14.941 3.928 -0.133 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.494 4.502 -1.426 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.007 4.441 -1.492 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -17.664 5.259 -0.814 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -17.536 3.575 -2.220 1.00 0.00 O ATOM 0 H GLU A 99 -14.060 6.264 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.159 5.145 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.881 3.710 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.438 2.981 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.171 5.538 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.075 3.955 -2.270 1.00 0.00 H new ATOM 1591 N SER A 100 -13.408 3.910 2.517 1.00 0.00 N ATOM 1592 CA SER A 100 -12.891 3.220 3.693 1.00 0.00 C ATOM 1593 C SER A 100 -12.897 4.141 4.909 1.00 0.00 C ATOM 1594 O SER A 100 -13.490 3.823 5.941 1.00 0.00 O ATOM 1595 CB SER A 100 -11.472 2.712 3.431 1.00 0.00 C ATOM 1596 OG SER A 100 -11.473 1.669 2.471 1.00 0.00 O ATOM 0 H SER A 100 -12.692 4.203 1.852 1.00 0.00 H new ATOM 0 HA SER A 100 -13.541 2.369 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.847 3.533 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.033 2.353 4.362 1.00 0.00 H new ATOM 0 HG SER A 100 -10.931 1.934 1.699 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.233 5.284 4.781 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.159 6.252 5.869 1.00 0.00 C ATOM 1604 C PHE A 101 -12.800 7.577 5.464 1.00 0.00 C ATOM 1605 O PHE A 101 -12.247 8.326 4.659 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.703 6.482 6.279 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.982 5.221 6.662 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.108 4.696 7.937 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.179 4.562 5.745 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.445 3.537 8.292 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.513 3.402 6.094 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.647 2.887 7.369 1.00 0.00 C ATOM 0 H PHE A 101 -11.738 5.563 3.934 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.709 5.847 6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.173 6.958 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.676 7.176 7.119 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.731 5.198 8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.072 4.959 4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.550 3.139 9.290 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.889 2.899 5.371 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.130 1.979 7.644 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.971 7.857 6.026 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.689 9.089 5.725 1.00 0.00 C ATOM 1624 C LYS A 102 -13.821 10.310 6.015 1.00 0.00 C ATOM 1625 O LYS A 102 -14.088 11.404 5.519 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.981 9.164 6.542 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.754 9.135 8.044 1.00 0.00 C ATOM 1628 CD LYS A 102 -17.043 9.385 8.809 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.924 8.146 8.836 1.00 0.00 C ATOM 1630 NZ LYS A 102 -17.446 7.149 9.834 1.00 0.00 N ATOM 0 H LYS A 102 -14.443 7.246 6.693 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.937 9.085 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.513 10.079 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.625 8.330 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.341 8.168 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -15.016 9.890 8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.809 9.689 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.587 10.210 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.949 8.434 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.941 7.690 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.082 6.326 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.484 6.843 9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -17.438 7.581 10.780 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.781 10.112 6.819 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.874 11.198 7.174 1.00 0.00 C ATOM 1646 C GLN A 103 -10.767 11.344 6.134 1.00 0.00 C ATOM 1647 O GLN A 103 -10.104 12.379 6.059 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.263 10.950 8.554 1.00 0.00 C ATOM 1649 CG GLN A 103 -12.241 11.161 9.699 1.00 0.00 C ATOM 1650 CD GLN A 103 -12.892 12.530 9.666 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -12.259 13.521 9.301 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -14.161 12.592 10.048 1.00 0.00 N ATOM 0 H GLN A 103 -12.546 9.211 7.236 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.449 12.124 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.882 9.929 8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.409 11.614 8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.014 10.394 9.657 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.718 11.035 10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.647 11.745 10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.651 13.487 10.047 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.573 10.301 5.333 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.547 10.313 4.297 1.00 0.00 C ATOM 1663 C LEU A 104 -10.173 10.418 2.911 1.00 0.00 C ATOM 1664 O LEU A 104 -10.744 9.453 2.402 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.689 9.049 4.389 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.312 9.124 3.729 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.291 9.715 4.689 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.869 7.746 3.259 1.00 0.00 C ATOM 0 H LEU A 104 -11.113 9.437 5.382 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.915 11.187 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.552 8.802 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.242 8.225 3.938 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.383 9.777 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.317 9.760 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.600 10.720 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.223 9.089 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.887 7.819 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.815 7.070 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.587 7.360 2.535 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.061 11.594 2.305 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.613 11.824 0.975 1.00 0.00 C ATOM 1682 C ASP A 105 -9.514 12.203 -0.013 1.00 0.00 C ATOM 1683 O ASP A 105 -9.142 13.372 -0.127 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.674 12.926 1.023 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.346 13.142 -0.318 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.188 12.279 -1.208 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -13.031 14.173 -0.478 1.00 0.00 O ATOM 0 H ASP A 105 -9.593 12.403 2.713 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.077 10.897 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.428 12.668 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.211 13.858 1.348 1.00 0.00 H new ATOM 1692 N THR A 106 -8.995 11.207 -0.724 1.00 0.00 N ATOM 1693 CA THR A 106 -7.937 11.436 -1.700 1.00 0.00 C ATOM 1694 C THR A 106 -7.716 10.203 -2.569 1.00 0.00 C ATOM 1695 O THR A 106 -8.077 9.089 -2.189 1.00 0.00 O ATOM 1696 CB THR A 106 -6.610 11.809 -1.013 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.629 12.154 -1.997 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.099 10.658 -0.160 1.00 0.00 C ATOM 0 H THR A 106 -9.290 10.234 -0.642 1.00 0.00 H new ATOM 0 HA THR A 106 -8.259 12.267 -2.327 1.00 0.00 H new ATOM 0 HB THR A 106 -6.791 12.667 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.789 12.392 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.161 10.946 0.315 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.836 10.419 0.607 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.934 9.784 -0.790 1.00 0.00 H new ATOM 1706 N THR A 107 -7.119 10.409 -3.739 1.00 0.00 N ATOM 1707 CA THR A 107 -6.849 9.314 -4.663 1.00 0.00 C ATOM 1708 C THR A 107 -5.388 9.306 -5.094 1.00 0.00 C ATOM 1709 O THR A 107 -4.842 10.334 -5.499 1.00 0.00 O ATOM 1710 CB THR A 107 -7.742 9.403 -5.915 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.698 10.729 -6.454 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.180 9.033 -5.583 1.00 0.00 C ATOM 0 H THR A 107 -6.813 11.324 -4.069 1.00 0.00 H new ATOM 0 HA THR A 107 -7.073 8.389 -4.131 1.00 0.00 H new ATOM 0 HB THR A 107 -7.364 8.697 -6.654 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.823 11.129 -6.268 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.791 9.103 -6.483 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.214 8.013 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.567 9.717 -4.828 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.756 8.140 -5.007 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.356 7.998 -5.390 1.00 0.00 C ATOM 1722 C LEU A 108 -3.049 8.809 -6.645 1.00 0.00 C ATOM 1723 O LEU A 108 -3.382 8.400 -7.758 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.018 6.524 -5.625 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.588 5.534 -4.608 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.118 4.121 -4.918 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.188 5.933 -3.195 1.00 0.00 C ATOM 0 H LEU A 108 -5.191 7.280 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.741 8.380 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.376 6.243 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.933 6.418 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.676 5.556 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.533 3.430 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.454 3.836 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.029 4.082 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.602 5.218 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.101 5.939 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.574 6.928 -2.975 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.410 9.958 -6.459 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.054 10.826 -7.575 1.00 0.00 C ATOM 1741 C LYS A 109 -0.648 10.515 -8.079 1.00 0.00 C ATOM 1742 O LYS A 109 -0.477 9.914 -9.140 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.145 12.294 -7.156 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.517 12.907 -7.373 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.753 14.091 -6.450 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.289 13.647 -5.098 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.702 14.804 -4.258 1.00 0.00 N ATOM 0 H LYS A 109 -2.127 10.311 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.760 10.642 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.882 12.379 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.407 12.869 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.613 13.229 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.285 12.152 -7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.820 14.637 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.459 14.780 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.141 12.983 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.524 13.073 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.061 14.459 -3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.884 15.425 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.450 15.337 -4.745 1.00 0.00 H new ATOM 1761 N TYR A 110 0.354 10.928 -7.312 1.00 0.00 N ATOM 1762 CA TYR A 110 1.745 10.695 -7.681 1.00 0.00 C ATOM 1763 C TYR A 110 2.426 9.765 -6.681 1.00 0.00 C ATOM 1764 O TYR A 110 2.066 9.706 -5.505 1.00 0.00 O ATOM 1765 CB TYR A 110 2.504 12.021 -7.758 1.00 0.00 C ATOM 1766 CG TYR A 110 1.702 13.143 -8.378 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.684 13.333 -9.755 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.959 14.011 -7.587 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.953 14.357 -10.325 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.223 15.037 -8.150 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.224 15.206 -9.518 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.507 16.226 -10.082 1.00 0.00 O ATOM 0 H TYR A 110 0.229 11.426 -6.431 1.00 0.00 H new ATOM 0 HA TYR A 110 1.758 10.218 -8.661 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.808 12.315 -6.753 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.416 11.875 -8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.251 12.669 -10.390 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.956 13.882 -6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.952 14.492 -11.396 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.350 15.703 -7.521 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.963 16.731 -9.376 1.00 0.00 H new ATOM 1782 N PRO A 111 3.434 9.019 -7.159 1.00 0.00 N ATOM 1783 CA PRO A 111 4.187 8.078 -6.325 1.00 0.00 C ATOM 1784 C PRO A 111 5.067 8.788 -5.302 1.00 0.00 C ATOM 1785 O PRO A 111 4.884 9.975 -5.028 1.00 0.00 O ATOM 1786 CB PRO A 111 5.049 7.319 -7.336 1.00 0.00 C ATOM 1787 CG PRO A 111 5.196 8.255 -8.486 1.00 0.00 C ATOM 1788 CD PRO A 111 3.914 9.038 -8.550 1.00 0.00 C ATOM 0 HA PRO A 111 3.529 7.436 -5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 111 6.018 7.057 -6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.573 6.387 -7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.050 8.917 -8.344 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.366 7.709 -9.414 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.082 10.055 -8.904 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.196 8.579 -9.229 1.00 0.00 H new ATOM 1796 N TYR A 112 6.022 8.055 -4.740 1.00 0.00 N ATOM 1797 CA TYR A 112 6.929 8.613 -3.745 1.00 0.00 C ATOM 1798 C TYR A 112 8.312 8.854 -4.343 1.00 0.00 C ATOM 1799 O TYR A 112 8.522 8.669 -5.542 1.00 0.00 O ATOM 1800 CB TYR A 112 7.038 7.677 -2.540 1.00 0.00 C ATOM 1801 CG TYR A 112 8.121 6.632 -2.681 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.026 5.630 -3.639 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.239 6.645 -1.856 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.012 4.672 -3.772 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.231 5.693 -1.983 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.114 4.707 -2.942 1.00 0.00 C ATOM 1807 OH TYR A 112 11.099 3.757 -3.069 1.00 0.00 O ATOM 0 H TYR A 112 6.188 7.072 -4.957 1.00 0.00 H new ATOM 0 HA TYR A 112 6.523 9.570 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.231 8.270 -1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.081 7.178 -2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.166 5.600 -4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.334 7.413 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.921 3.900 -4.521 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.095 5.720 -1.335 1.00 0.00 H new ATOM 0 HH TYR A 112 10.701 2.911 -3.362 1.00 0.00 H new ATOM 1817 N SER A 113 9.252 9.266 -3.498 1.00 0.00 N ATOM 1818 CA SER A 113 10.614 9.535 -3.942 1.00 0.00 C ATOM 1819 C SER A 113 11.023 8.574 -5.054 1.00 0.00 C ATOM 1820 O SER A 113 11.309 8.990 -6.176 1.00 0.00 O ATOM 1821 CB SER A 113 11.588 9.418 -2.768 1.00 0.00 C ATOM 1822 OG SER A 113 12.732 10.228 -2.972 1.00 0.00 O ATOM 0 H SER A 113 9.095 9.421 -2.502 1.00 0.00 H new ATOM 0 HA SER A 113 10.648 10.552 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.088 9.715 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.892 8.378 -2.646 1.00 0.00 H new ATOM 0 HG SER A 113 13.338 10.137 -2.207 1.00 0.00 H new ATOM 1828 N GLY A 114 11.049 7.283 -4.733 1.00 0.00 N ATOM 1829 CA GLY A 114 11.424 6.282 -5.714 1.00 0.00 C ATOM 1830 C GLY A 114 12.926 6.178 -5.891 1.00 0.00 C ATOM 1831 O GLY A 114 13.704 6.625 -5.048 1.00 0.00 O ATOM 0 H GLY A 114 10.817 6.913 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.029 5.313 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.964 6.526 -6.672 1.00 0.00 H new ATOM 1835 N PRO A 115 13.353 5.573 -7.009 1.00 0.00 N ATOM 1836 CA PRO A 115 14.775 5.396 -7.320 1.00 0.00 C ATOM 1837 C PRO A 115 15.464 6.715 -7.653 1.00 0.00 C ATOM 1838 O PRO A 115 15.503 7.131 -8.810 1.00 0.00 O ATOM 1839 CB PRO A 115 14.759 4.477 -8.543 1.00 0.00 C ATOM 1840 CG PRO A 115 13.434 4.719 -9.182 1.00 0.00 C ATOM 1841 CD PRO A 115 12.481 5.015 -8.057 1.00 0.00 C ATOM 0 HA PRO A 115 15.330 4.992 -6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 115 15.576 4.712 -9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 115 14.874 3.432 -8.255 1.00 0.00 H new ATOM 0 HG2 PRO A 115 13.484 5.554 -9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 115 13.109 3.847 -9.750 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.711 5.725 -8.359 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.969 4.115 -7.717 1.00 0.00 H new ATOM 1849 N SER A 116 16.007 7.368 -6.630 1.00 0.00 N ATOM 1850 CA SER A 116 16.693 8.642 -6.815 1.00 0.00 C ATOM 1851 C SER A 116 18.052 8.437 -7.477 1.00 0.00 C ATOM 1852 O SER A 116 18.971 7.881 -6.875 1.00 0.00 O ATOM 1853 CB SER A 116 16.870 9.349 -5.469 1.00 0.00 C ATOM 1854 OG SER A 116 17.632 10.535 -5.613 1.00 0.00 O ATOM 0 H SER A 116 15.985 7.036 -5.666 1.00 0.00 H new ATOM 0 HA SER A 116 16.081 9.265 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.893 9.589 -5.049 1.00 0.00 H new ATOM 0 HB3 SER A 116 17.363 8.679 -4.765 1.00 0.00 H new ATOM 0 HG SER A 116 17.730 10.969 -4.740 1.00 0.00 H new ATOM 1860 N SER A 117 18.171 8.890 -8.721 1.00 0.00 N ATOM 1861 CA SER A 117 19.417 8.753 -9.468 1.00 0.00 C ATOM 1862 C SER A 117 20.167 10.080 -9.520 1.00 0.00 C ATOM 1863 O SER A 117 20.820 10.398 -10.513 1.00 0.00 O ATOM 1864 CB SER A 117 19.132 8.258 -10.888 1.00 0.00 C ATOM 1865 OG SER A 117 20.224 7.509 -11.394 1.00 0.00 O ATOM 0 H SER A 117 17.421 9.355 -9.233 1.00 0.00 H new ATOM 0 HA SER A 117 20.042 8.022 -8.955 1.00 0.00 H new ATOM 0 HB2 SER A 117 18.233 7.642 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 117 18.936 9.109 -11.541 1.00 0.00 H new ATOM 0 HG SER A 117 20.018 7.202 -12.302 1.00 0.00 H new ATOM 1871 N GLY A 118 20.067 10.853 -8.442 1.00 0.00 N ATOM 1872 CA GLY A 118 20.740 12.137 -8.385 1.00 0.00 C ATOM 1873 C GLY A 118 21.595 12.288 -7.143 1.00 0.00 C ATOM 1874 O GLY A 118 21.083 12.568 -6.059 1.00 0.00 O ATOM 0 H GLY A 118 19.532 10.612 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 118 21.366 12.256 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 118 19.997 12.935 -8.410 1.00 0.00 H new TER 1878 GLY A 118