USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 771 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 -21 HIS : no HD1:sc= 0 X(o=-0.75,f=-0.93) USER MOD Set 1.2: A -23 HIS : no HD1:sc= -0.752 K(o=-0.75,f=-1.8!) USER MOD Set 2.1: A -19 HIS : no HE2:sc= 0.624 K(o=-3,f=-7.5!) USER MOD Set 2.2: A -22 HIS : no HE2:sc= -3.61! C(o=-3!,f=-3.8!) USER MOD Set 3.1: A -10 ASN : amide:sc= 0.193 X(o=0.34,f=0.21) USER MOD Set 3.2: A -13 THR OG1 : rot 39:sc= 0.144 USER MOD Set 4.1: A 65 SER OG : rot 180:sc= 0.0202 USER MOD Set 4.2: A 69 ASN : amide:sc= 0 X(o=0.02,f=0.02) USER MOD Set 5.1: A 32 HIS : no HE2:sc= -2.07 K(o=-2.3,f=-6!) USER MOD Set 5.2: A 79 SER OG : rot -130:sc= -0.273 USER MOD Set 6.1: A 26 TYR OH : rot -130:sc= -3.07! USER MOD Set 6.2: A 40 GLN : amide:sc= -4.6 K(o=-7.7,f=-12!) USER MOD Set 7.1: A 15 GLN : amide:sc= -0.822! X(o=-0.36!,f=-0.27) USER MOD Set 7.2: A 45 GLN : amide:sc= 0.462 X(o=-0.36,f=-0.27) USER MOD Set 8.1: A 6 HIS : no HE2:sc= 1.48 K(o=1.8,f=-4.4!) USER MOD Set 8.2: A 36 TYR OH : rot 37:sc= 0.324 USER MOD Single : A 9 SER OG : rot 109:sc= 1.24 USER MOD Single : A -1 SER OG : rot 40:sc= 0.977 USER MOD Single : A -3 MET CE :methyl -163:sc= -3.61! (180deg=-5.28!) USER MOD Single : A -6 GLN : amide:sc= -0.852 K(o=-0.85,f=-1.7!) USER MOD Single : A -8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.576 K(o=0.58,f=-0.0068) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0.105 USER MOD Single : A 23 GLN : amide:sc= -0.857 K(o=-0.86,f=-4.6!) USER MOD Single : A 24 THR OG1 : rot -159:sc= 0.566 USER MOD Single : A 29 ASN : amide:sc= 0.92 K(o=0.92,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.16) USER MOD Single : A 43 SER OG : rot -170:sc= 0 USER MOD Single : A 44 SER OG : rot 120:sc= -0.477 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 58 MET CE :methyl -121:sc= -1.52 (180deg=-4.12!) USER MOD Single : A 60 LYS NZ :NH3+ -117:sc= 0.886 (180deg=-0.507) USER MOD Single : A 61 SER OG : rot -69:sc= 0.145 USER MOD Single : A 71 SER OG : rot 102:sc= 0.112 USER MOD Single : A 72 SER OG : rot -81:sc= 0.229 USER MOD Single : A 73 SER OG : rot 80:sc= 0.699 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 78 SER OG : rot 180:sc= 0.139 USER MOD Single : A -12 THR OG1 : rot 90:sc= 1.42 USER MOD Single : A -17 TYR OH : rot 180:sc= 0 USER MOD Single : A -20 HIS : no HD1:sc= -0.095 X(o=-0.095,f=-0.26) USER MOD Single : A -24 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.0002) USER MOD Single : A -25 TYR OH : rot 180:sc= 0 USER MOD Single : A -26 TYR OH : rot 180:sc= 0 USER MOD Single : A -27 SER N :NH3+ 156:sc= 0.428 (180deg=0.0883) USER MOD Single : A -27 SER OG : rot 180:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 -16.100 7.424 52.569 1.00 0.00 N ATOM 2 CA SER A -27 -17.293 6.688 52.064 1.00 0.00 C ATOM 3 C SER A -27 -18.565 7.232 52.732 1.00 0.00 C ATOM 4 O SER A -27 -19.165 6.587 53.578 1.00 0.00 O ATOM 5 CB SER A -27 -17.051 5.220 52.448 1.00 0.00 C ATOM 6 OG SER A -27 -15.658 4.917 52.317 1.00 0.00 O ATOM 0 H1 SER A -27 -15.253 6.831 52.456 1.00 0.00 H new ATOM 0 H2 SER A -27 -15.981 8.305 52.029 1.00 0.00 H new ATOM 0 H3 SER A -27 -16.232 7.651 53.575 1.00 0.00 H new ATOM 0 HA SER A -27 -17.430 6.801 50.989 1.00 0.00 H new ATOM 0 HB2 SER A -27 -17.378 5.042 53.472 1.00 0.00 H new ATOM 0 HB3 SER A -27 -17.639 4.563 51.807 1.00 0.00 H new ATOM 0 HG SER A -27 -15.502 3.981 52.563 1.00 0.00 H new ATOM 14 N TYR A -26 -18.980 8.419 52.363 1.00 0.00 N ATOM 15 CA TYR A -26 -20.207 9.017 52.974 1.00 0.00 C ATOM 16 C TYR A -26 -21.449 8.237 52.532 1.00 0.00 C ATOM 17 O TYR A -26 -22.119 8.595 51.580 1.00 0.00 O ATOM 18 CB TYR A -26 -20.246 10.460 52.452 1.00 0.00 C ATOM 19 CG TYR A -26 -21.096 11.316 53.362 1.00 0.00 C ATOM 20 CD1 TYR A -26 -20.898 11.279 54.748 1.00 0.00 C ATOM 21 CD2 TYR A -26 -22.080 12.148 52.819 1.00 0.00 C ATOM 22 CE1 TYR A -26 -21.685 12.068 55.587 1.00 0.00 C ATOM 23 CE2 TYR A -26 -22.868 12.940 53.662 1.00 0.00 C ATOM 24 CZ TYR A -26 -22.669 12.899 55.047 1.00 0.00 C ATOM 25 OH TYR A -26 -23.438 13.680 55.878 1.00 0.00 O ATOM 0 H TYR A -26 -18.520 9.001 51.663 1.00 0.00 H new ATOM 0 HA TYR A -26 -20.190 8.984 54.063 1.00 0.00 H new ATOM 0 HB2 TYR A -26 -19.235 10.864 52.399 1.00 0.00 H new ATOM 0 HB3 TYR A -26 -20.650 10.479 51.440 1.00 0.00 H new ATOM 0 HD1 TYR A -26 -20.136 10.639 55.167 1.00 0.00 H new ATOM 0 HD2 TYR A -26 -22.232 12.179 51.750 1.00 0.00 H new ATOM 0 HE1 TYR A -26 -21.533 12.036 56.656 1.00 0.00 H new ATOM 0 HE2 TYR A -26 -23.629 13.582 53.244 1.00 0.00 H new ATOM 0 HH TYR A -26 -24.074 14.199 55.343 1.00 0.00 H new ATOM 35 N TYR A -25 -21.752 7.172 53.224 1.00 0.00 N ATOM 36 CA TYR A -25 -22.940 6.340 52.869 1.00 0.00 C ATOM 37 C TYR A -25 -24.221 7.180 52.861 1.00 0.00 C ATOM 38 O TYR A -25 -25.145 6.900 52.122 1.00 0.00 O ATOM 39 CB TYR A -25 -23.024 5.265 53.957 1.00 0.00 C ATOM 40 CG TYR A -25 -22.218 4.059 53.539 1.00 0.00 C ATOM 41 CD1 TYR A -25 -20.846 4.009 53.807 1.00 0.00 C ATOM 42 CD2 TYR A -25 -22.841 2.990 52.880 1.00 0.00 C ATOM 43 CE1 TYR A -25 -20.096 2.895 53.421 1.00 0.00 C ATOM 44 CE2 TYR A -25 -22.090 1.876 52.493 1.00 0.00 C ATOM 45 CZ TYR A -25 -20.717 1.826 52.761 1.00 0.00 C ATOM 46 OH TYR A -25 -19.979 0.726 52.379 1.00 0.00 O ATOM 0 H TYR A -25 -21.222 6.839 54.029 1.00 0.00 H new ATOM 0 HA TYR A -25 -22.839 5.913 51.871 1.00 0.00 H new ATOM 0 HB2 TYR A -25 -22.647 5.658 54.901 1.00 0.00 H new ATOM 0 HB3 TYR A -25 -24.063 4.981 54.123 1.00 0.00 H new ATOM 0 HD1 TYR A -25 -20.365 4.833 54.313 1.00 0.00 H new ATOM 0 HD2 TYR A -25 -23.900 3.027 52.671 1.00 0.00 H new ATOM 0 HE1 TYR A -25 -19.037 2.858 53.631 1.00 0.00 H new ATOM 0 HE2 TYR A -25 -22.570 1.052 51.986 1.00 0.00 H new ATOM 0 HH TYR A -25 -20.564 0.077 51.935 1.00 0.00 H new ATOM 56 N HIS A -24 -24.285 8.194 53.683 1.00 0.00 N ATOM 57 CA HIS A -24 -25.512 9.048 53.744 1.00 0.00 C ATOM 58 C HIS A -24 -25.798 9.703 52.388 1.00 0.00 C ATOM 59 O HIS A -24 -26.936 9.750 51.948 1.00 0.00 O ATOM 60 CB HIS A -24 -25.208 10.108 54.809 1.00 0.00 C ATOM 61 CG HIS A -24 -25.147 9.451 56.164 1.00 0.00 C ATOM 62 ND1 HIS A -24 -24.331 9.922 57.179 1.00 0.00 N ATOM 63 CD2 HIS A -24 -25.790 8.352 56.681 1.00 0.00 C ATOM 64 CE1 HIS A -24 -24.502 9.115 58.243 1.00 0.00 C ATOM 65 NE2 HIS A -24 -25.379 8.143 57.992 1.00 0.00 N ATOM 0 H HIS A -24 -23.537 8.470 54.319 1.00 0.00 H new ATOM 0 HA HIS A -24 -26.399 8.464 53.990 1.00 0.00 H new ATOM 0 HB2 HIS A -24 -24.261 10.600 54.588 1.00 0.00 H new ATOM 0 HB3 HIS A -24 -25.978 10.879 54.801 1.00 0.00 H new ATOM 0 HD2 HIS A -24 -26.506 7.743 56.149 1.00 0.00 H new ATOM 0 HE1 HIS A -24 -23.990 9.240 59.186 1.00 0.00 H new ATOM 0 HE2 HIS A -24 -25.683 7.404 58.626 1.00 0.00 H new ATOM 73 N HIS A -23 -24.799 10.206 51.713 1.00 0.00 N ATOM 74 CA HIS A -23 -25.061 10.844 50.392 1.00 0.00 C ATOM 75 C HIS A -23 -24.573 9.941 49.263 1.00 0.00 C ATOM 76 O HIS A -23 -23.515 10.148 48.695 1.00 0.00 O ATOM 77 CB HIS A -23 -24.295 12.161 50.401 1.00 0.00 C ATOM 78 CG HIS A -23 -24.732 12.985 49.221 1.00 0.00 C ATOM 79 ND1 HIS A -23 -26.050 13.380 49.048 1.00 0.00 N ATOM 80 CD2 HIS A -23 -24.048 13.479 48.140 1.00 0.00 C ATOM 81 CE1 HIS A -23 -26.116 14.077 47.899 1.00 0.00 C ATOM 82 NE2 HIS A -23 -24.924 14.166 47.306 1.00 0.00 N ATOM 0 H HIS A -23 -23.825 10.203 52.015 1.00 0.00 H new ATOM 0 HA HIS A -23 -26.126 11.010 50.229 1.00 0.00 H new ATOM 0 HB2 HIS A -23 -24.484 12.701 51.329 1.00 0.00 H new ATOM 0 HB3 HIS A -23 -23.222 11.974 50.354 1.00 0.00 H new ATOM 0 HD2 HIS A -23 -22.990 13.354 47.963 1.00 0.00 H new ATOM 0 HE1 HIS A -23 -27.023 14.511 47.505 1.00 0.00 H new ATOM 0 HE2 HIS A -23 -24.703 14.637 46.429 1.00 0.00 H new ATOM 90 N HIS A -22 -25.348 8.948 48.924 1.00 0.00 N ATOM 91 CA HIS A -22 -24.947 8.039 47.815 1.00 0.00 C ATOM 92 C HIS A -22 -25.474 8.608 46.498 1.00 0.00 C ATOM 93 O HIS A -22 -26.359 8.051 45.874 1.00 0.00 O ATOM 94 CB HIS A -22 -25.595 6.685 48.130 1.00 0.00 C ATOM 95 CG HIS A -22 -24.544 5.721 48.591 1.00 0.00 C ATOM 96 ND1 HIS A -22 -24.336 5.438 49.931 1.00 0.00 N ATOM 97 CD2 HIS A -22 -23.637 4.961 47.899 1.00 0.00 C ATOM 98 CE1 HIS A -22 -23.339 4.537 50.002 1.00 0.00 C ATOM 99 NE2 HIS A -22 -22.877 4.211 48.793 1.00 0.00 N ATOM 0 H HIS A -22 -26.240 8.727 49.366 1.00 0.00 H new ATOM 0 HA HIS A -22 -23.866 7.935 47.723 1.00 0.00 H new ATOM 0 HB2 HIS A -22 -26.356 6.805 48.901 1.00 0.00 H new ATOM 0 HB3 HIS A -22 -26.097 6.296 47.244 1.00 0.00 H new ATOM 0 HD1 HIS A -22 -24.845 5.839 50.719 1.00 0.00 H new ATOM 0 HD2 HIS A -22 -23.528 4.946 46.825 1.00 0.00 H new ATOM 0 HE1 HIS A -22 -22.959 4.127 50.926 1.00 0.00 H new ATOM 107 N HIS A -21 -24.943 9.726 46.083 1.00 0.00 N ATOM 108 CA HIS A -21 -25.408 10.360 44.814 1.00 0.00 C ATOM 109 C HIS A -21 -24.207 10.604 43.894 1.00 0.00 C ATOM 110 O HIS A -21 -23.125 10.092 44.129 1.00 0.00 O ATOM 111 CB HIS A -21 -26.047 11.687 45.244 1.00 0.00 C ATOM 112 CG HIS A -21 -27.458 11.448 45.709 1.00 0.00 C ATOM 113 ND1 HIS A -21 -27.783 11.335 47.053 1.00 0.00 N ATOM 114 CD2 HIS A -21 -28.640 11.299 45.025 1.00 0.00 C ATOM 115 CE1 HIS A -21 -29.108 11.124 47.134 1.00 0.00 C ATOM 116 NE2 HIS A -21 -29.679 11.093 45.929 1.00 0.00 N ATOM 0 H HIS A -21 -24.203 10.231 46.571 1.00 0.00 H new ATOM 0 HA HIS A -21 -26.113 9.737 44.263 1.00 0.00 H new ATOM 0 HB2 HIS A -21 -25.462 12.140 46.045 1.00 0.00 H new ATOM 0 HB3 HIS A -21 -26.043 12.390 44.411 1.00 0.00 H new ATOM 0 HD2 HIS A -21 -28.747 11.336 43.951 1.00 0.00 H new ATOM 0 HE1 HIS A -21 -29.645 10.995 48.062 1.00 0.00 H new ATOM 0 HE2 HIS A -21 -30.666 10.949 45.715 1.00 0.00 H new ATOM 124 N HIS A -20 -24.391 11.382 42.853 1.00 0.00 N ATOM 125 CA HIS A -20 -23.271 11.684 41.899 1.00 0.00 C ATOM 126 C HIS A -20 -22.480 10.419 41.554 1.00 0.00 C ATOM 127 O HIS A -20 -21.260 10.435 41.511 1.00 0.00 O ATOM 128 CB HIS A -20 -22.374 12.688 42.626 1.00 0.00 C ATOM 129 CG HIS A -20 -22.423 14.008 41.912 1.00 0.00 C ATOM 130 ND1 HIS A -20 -22.170 14.133 40.551 1.00 0.00 N ATOM 131 CD2 HIS A -20 -22.704 15.272 42.358 1.00 0.00 C ATOM 132 CE1 HIS A -20 -22.303 15.432 40.235 1.00 0.00 C ATOM 133 NE2 HIS A -20 -22.628 16.172 41.300 1.00 0.00 N ATOM 0 H HIS A -20 -25.279 11.826 42.620 1.00 0.00 H new ATOM 0 HA HIS A -20 -23.651 12.079 40.957 1.00 0.00 H new ATOM 0 HB2 HIS A -20 -22.705 12.808 43.658 1.00 0.00 H new ATOM 0 HB3 HIS A -20 -21.349 12.318 42.661 1.00 0.00 H new ATOM 0 HD2 HIS A -20 -22.948 15.531 43.378 1.00 0.00 H new ATOM 0 HE1 HIS A -20 -22.164 15.830 39.241 1.00 0.00 H new ATOM 0 HE2 HIS A -20 -22.786 17.179 41.330 1.00 0.00 H new ATOM 141 N HIS A -19 -23.155 9.333 41.293 1.00 0.00 N ATOM 142 CA HIS A -19 -22.439 8.073 40.935 1.00 0.00 C ATOM 143 C HIS A -19 -21.984 8.169 39.482 1.00 0.00 C ATOM 144 O HIS A -19 -22.567 7.578 38.591 1.00 0.00 O ATOM 145 CB HIS A -19 -23.465 6.948 41.124 1.00 0.00 C ATOM 146 CG HIS A -19 -23.404 6.431 42.535 1.00 0.00 C ATOM 147 ND1 HIS A -19 -23.213 7.274 43.618 1.00 0.00 N ATOM 148 CD2 HIS A -19 -23.513 5.164 43.062 1.00 0.00 C ATOM 149 CE1 HIS A -19 -23.214 6.517 44.728 1.00 0.00 C ATOM 150 NE2 HIS A -19 -23.393 5.223 44.446 1.00 0.00 N ATOM 0 H HIS A -19 -24.172 9.263 41.312 1.00 0.00 H new ATOM 0 HA HIS A -19 -21.556 7.892 41.547 1.00 0.00 H new ATOM 0 HB2 HIS A -19 -24.467 7.317 40.906 1.00 0.00 H new ATOM 0 HB3 HIS A -19 -23.264 6.139 40.422 1.00 0.00 H new ATOM 0 HD1 HIS A -19 -23.093 8.286 43.579 1.00 0.00 H new ATOM 0 HD2 HIS A -19 -23.668 4.262 42.488 1.00 0.00 H new ATOM 0 HE1 HIS A -19 -23.086 6.907 45.727 1.00 0.00 H new ATOM 158 N ASP A -18 -20.955 8.938 39.240 1.00 0.00 N ATOM 159 CA ASP A -18 -20.446 9.116 37.849 1.00 0.00 C ATOM 160 C ASP A -18 -19.793 7.823 37.358 1.00 0.00 C ATOM 161 O ASP A -18 -18.581 7.719 37.280 1.00 0.00 O ATOM 162 CB ASP A -18 -19.420 10.247 37.951 1.00 0.00 C ATOM 163 CG ASP A -18 -20.043 11.542 37.445 1.00 0.00 C ATOM 164 OD1 ASP A -18 -20.045 11.744 36.245 1.00 0.00 O ATOM 165 OD2 ASP A -18 -20.507 12.314 38.265 1.00 0.00 O ATOM 0 H ASP A -18 -20.441 9.455 39.954 1.00 0.00 H new ATOM 0 HA ASP A -18 -21.238 9.352 37.139 1.00 0.00 H new ATOM 0 HB2 ASP A -18 -19.095 10.366 38.985 1.00 0.00 H new ATOM 0 HB3 ASP A -18 -18.534 10.003 37.365 1.00 0.00 H new ATOM 170 N TYR A -17 -20.579 6.838 37.039 1.00 0.00 N ATOM 171 CA TYR A -17 -20.004 5.546 36.560 1.00 0.00 C ATOM 172 C TYR A -17 -19.962 5.509 35.027 1.00 0.00 C ATOM 173 O TYR A -17 -19.372 4.620 34.440 1.00 0.00 O ATOM 174 CB TYR A -17 -20.955 4.473 37.084 1.00 0.00 C ATOM 175 CG TYR A -17 -20.673 4.174 38.550 1.00 0.00 C ATOM 176 CD1 TYR A -17 -19.822 5.001 39.307 1.00 0.00 C ATOM 177 CD2 TYR A -17 -21.270 3.061 39.152 1.00 0.00 C ATOM 178 CE1 TYR A -17 -19.573 4.709 40.654 1.00 0.00 C ATOM 179 CE2 TYR A -17 -21.019 2.770 40.498 1.00 0.00 C ATOM 180 CZ TYR A -17 -20.172 3.594 41.248 1.00 0.00 C ATOM 181 OH TYR A -17 -19.924 3.302 42.575 1.00 0.00 O ATOM 0 H TYR A -17 -21.597 6.868 37.088 1.00 0.00 H new ATOM 0 HA TYR A -17 -18.982 5.402 36.909 1.00 0.00 H new ATOM 0 HB2 TYR A -17 -21.986 4.806 36.967 1.00 0.00 H new ATOM 0 HB3 TYR A -17 -20.845 3.563 36.494 1.00 0.00 H new ATOM 0 HD1 TYR A -17 -19.360 5.863 38.848 1.00 0.00 H new ATOM 0 HD2 TYR A -17 -21.926 2.425 38.577 1.00 0.00 H new ATOM 0 HE1 TYR A -17 -18.919 5.344 41.233 1.00 0.00 H new ATOM 0 HE2 TYR A -17 -21.480 1.908 40.958 1.00 0.00 H new ATOM 0 HH TYR A -17 -20.419 2.496 42.831 1.00 0.00 H new ATOM 191 N ASP A -16 -20.585 6.457 34.371 1.00 0.00 N ATOM 192 CA ASP A -16 -20.589 6.473 32.881 1.00 0.00 C ATOM 193 C ASP A -16 -19.787 7.667 32.368 1.00 0.00 C ATOM 194 O ASP A -16 -20.260 8.789 32.349 1.00 0.00 O ATOM 195 CB ASP A -16 -22.062 6.600 32.478 1.00 0.00 C ATOM 196 CG ASP A -16 -22.173 6.737 30.961 1.00 0.00 C ATOM 197 OD1 ASP A -16 -21.542 5.962 30.264 1.00 0.00 O ATOM 198 OD2 ASP A -16 -22.892 7.611 30.515 1.00 0.00 O ATOM 0 H ASP A -16 -21.094 7.224 34.810 1.00 0.00 H new ATOM 0 HA ASP A -16 -20.134 5.576 32.460 1.00 0.00 H new ATOM 0 HB2 ASP A -16 -22.618 5.725 32.815 1.00 0.00 H new ATOM 0 HB3 ASP A -16 -22.508 7.467 32.964 1.00 0.00 H new ATOM 203 N ILE A -15 -18.582 7.428 31.950 1.00 0.00 N ATOM 204 CA ILE A -15 -17.732 8.530 31.418 1.00 0.00 C ATOM 205 C ILE A -15 -17.976 8.659 29.908 1.00 0.00 C ATOM 206 O ILE A -15 -18.119 7.662 29.221 1.00 0.00 O ATOM 207 CB ILE A -15 -16.287 8.105 31.715 1.00 0.00 C ATOM 208 CG1 ILE A -15 -16.077 7.986 33.233 1.00 0.00 C ATOM 209 CG2 ILE A -15 -15.306 9.144 31.156 1.00 0.00 C ATOM 210 CD1 ILE A -15 -16.239 9.357 33.896 1.00 0.00 C ATOM 0 H ILE A -15 -18.141 6.508 31.953 1.00 0.00 H new ATOM 0 HA ILE A -15 -17.952 9.498 31.868 1.00 0.00 H new ATOM 0 HB ILE A -15 -16.105 7.140 31.242 1.00 0.00 H new ATOM 0 HG12 ILE A -15 -16.796 7.283 33.653 1.00 0.00 H new ATOM 0 HG13 ILE A -15 -15.084 7.588 33.440 1.00 0.00 H new ATOM 0 HG21 ILE A -15 -14.284 8.833 31.372 1.00 0.00 H new ATOM 0 HG22 ILE A -15 -15.440 9.227 30.077 1.00 0.00 H new ATOM 0 HG23 ILE A -15 -15.497 10.111 31.621 1.00 0.00 H new ATOM 0 HD11 ILE A -15 -16.088 9.261 34.971 1.00 0.00 H new ATOM 0 HD12 ILE A -15 -15.503 10.048 33.486 1.00 0.00 H new ATOM 0 HD13 ILE A -15 -17.242 9.738 33.703 1.00 0.00 H new ATOM 222 N PRO A -14 -18.026 9.882 29.436 1.00 0.00 N ATOM 223 CA PRO A -14 -18.270 10.127 27.992 1.00 0.00 C ATOM 224 C PRO A -14 -17.101 9.618 27.145 1.00 0.00 C ATOM 225 O PRO A -14 -15.966 10.019 27.339 1.00 0.00 O ATOM 226 CB PRO A -14 -18.405 11.649 27.905 1.00 0.00 C ATOM 227 CG PRO A -14 -17.670 12.167 29.102 1.00 0.00 C ATOM 228 CD PRO A -14 -17.852 11.136 30.184 1.00 0.00 C ATOM 0 HA PRO A -14 -19.149 9.607 27.613 1.00 0.00 H new ATOM 0 HB2 PRO A -14 -17.974 12.032 26.980 1.00 0.00 H new ATOM 0 HB3 PRO A -14 -19.451 11.955 27.920 1.00 0.00 H new ATOM 0 HG2 PRO A -14 -16.614 12.313 28.877 1.00 0.00 H new ATOM 0 HG3 PRO A -14 -18.066 13.133 29.414 1.00 0.00 H new ATOM 0 HD2 PRO A -14 -16.987 11.092 30.846 1.00 0.00 H new ATOM 0 HD3 PRO A -14 -18.719 11.356 30.806 1.00 0.00 H new ATOM 236 N THR A -13 -17.366 8.750 26.205 1.00 0.00 N ATOM 237 CA THR A -13 -16.269 8.230 25.342 1.00 0.00 C ATOM 238 C THR A -13 -15.709 9.376 24.493 1.00 0.00 C ATOM 239 O THR A -13 -16.431 10.022 23.757 1.00 0.00 O ATOM 240 CB THR A -13 -16.908 7.145 24.474 1.00 0.00 C ATOM 241 OG1 THR A -13 -18.174 7.586 23.991 1.00 0.00 O ATOM 242 CG2 THR A -13 -17.103 5.875 25.301 1.00 0.00 C ATOM 0 H THR A -13 -18.294 8.380 25.999 1.00 0.00 H new ATOM 0 HA THR A -13 -15.436 7.821 25.914 1.00 0.00 H new ATOM 0 HB THR A -13 -16.251 6.939 23.629 1.00 0.00 H new ATOM 0 HG1 THR A -13 -18.123 8.537 23.761 1.00 0.00 H new ATOM 0 HG21 THR A -13 -17.558 5.103 24.681 1.00 0.00 H new ATOM 0 HG22 THR A -13 -16.137 5.525 25.664 1.00 0.00 H new ATOM 0 HG23 THR A -13 -17.753 6.089 26.149 1.00 0.00 H new ATOM 250 N THR A -12 -14.441 9.653 24.616 1.00 0.00 N ATOM 251 CA THR A -12 -13.830 10.780 23.845 1.00 0.00 C ATOM 252 C THR A -12 -13.167 10.287 22.551 1.00 0.00 C ATOM 253 O THR A -12 -13.485 10.735 21.466 1.00 0.00 O ATOM 254 CB THR A -12 -12.760 11.365 24.782 1.00 0.00 C ATOM 255 OG1 THR A -12 -12.445 10.429 25.817 1.00 0.00 O ATOM 256 CG2 THR A -12 -13.286 12.650 25.407 1.00 0.00 C ATOM 0 H THR A -12 -13.795 9.146 25.221 1.00 0.00 H new ATOM 0 HA THR A -12 -14.585 11.509 23.549 1.00 0.00 H new ATOM 0 HB THR A -12 -11.859 11.574 24.206 1.00 0.00 H new ATOM 0 HG1 THR A -12 -11.712 9.850 25.522 1.00 0.00 H new ATOM 0 HG21 THR A -12 -12.530 13.067 26.072 1.00 0.00 H new ATOM 0 HG22 THR A -12 -13.515 13.370 24.621 1.00 0.00 H new ATOM 0 HG23 THR A -12 -14.190 12.434 25.976 1.00 0.00 H new ATOM 264 N GLU A -11 -12.231 9.386 22.679 1.00 0.00 N ATOM 265 CA GLU A -11 -11.477 8.855 21.488 1.00 0.00 C ATOM 266 C GLU A -11 -12.406 8.339 20.386 1.00 0.00 C ATOM 267 O GLU A -11 -12.035 8.281 19.229 1.00 0.00 O ATOM 268 CB GLU A -11 -10.617 7.709 22.041 1.00 0.00 C ATOM 269 CG GLU A -11 -9.679 8.240 23.138 1.00 0.00 C ATOM 270 CD GLU A -11 -10.172 7.786 24.511 1.00 0.00 C ATOM 271 OE1 GLU A -11 -11.122 8.365 25.004 1.00 0.00 O ATOM 272 OE2 GLU A -11 -9.586 6.872 25.051 1.00 0.00 O ATOM 0 H GLU A -11 -11.946 8.983 23.572 1.00 0.00 H new ATOM 0 HA GLU A -11 -10.886 9.644 21.023 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -11.257 6.925 22.446 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -10.033 7.260 21.237 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -8.665 7.877 22.968 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -9.639 9.329 23.098 1.00 0.00 H new ATOM 279 N ASN A -10 -13.600 7.978 20.729 1.00 0.00 N ATOM 280 CA ASN A -10 -14.556 7.468 19.696 1.00 0.00 C ATOM 281 C ASN A -10 -15.028 8.596 18.769 1.00 0.00 C ATOM 282 O ASN A -10 -15.592 8.357 17.721 1.00 0.00 O ATOM 283 CB ASN A -10 -15.731 6.854 20.477 1.00 0.00 C ATOM 284 CG ASN A -10 -16.945 7.792 20.454 1.00 0.00 C ATOM 285 OD1 ASN A -10 -17.845 7.613 19.663 1.00 0.00 O ATOM 286 ND2 ASN A -10 -17.006 8.796 21.287 1.00 0.00 N ATOM 0 H ASN A -10 -13.966 8.010 21.680 1.00 0.00 H new ATOM 0 HA ASN A -10 -14.084 6.729 19.048 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -16.000 5.892 20.042 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -15.430 6.665 21.508 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -17.809 9.425 21.270 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -16.251 8.951 21.955 1.00 0.00 H new ATOM 293 N LEU A -9 -14.791 9.814 19.149 1.00 0.00 N ATOM 294 CA LEU A -9 -15.213 10.971 18.303 1.00 0.00 C ATOM 295 C LEU A -9 -14.075 11.405 17.363 1.00 0.00 C ATOM 296 O LEU A -9 -14.217 12.351 16.608 1.00 0.00 O ATOM 297 CB LEU A -9 -15.533 12.085 19.302 1.00 0.00 C ATOM 298 CG LEU A -9 -16.994 11.973 19.747 1.00 0.00 C ATOM 299 CD1 LEU A -9 -17.099 12.269 21.243 1.00 0.00 C ATOM 300 CD2 LEU A -9 -17.840 12.982 18.962 1.00 0.00 C ATOM 0 H LEU A -9 -14.319 10.066 20.017 1.00 0.00 H new ATOM 0 HA LEU A -9 -16.063 10.724 17.667 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -14.873 12.013 20.166 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -15.355 13.059 18.845 1.00 0.00 H new ATOM 0 HG LEU A -9 -17.358 10.964 19.555 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -18.140 12.189 21.558 1.00 0.00 H new ATOM 0 HD12 LEU A -9 -16.495 11.552 21.799 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -16.737 13.278 21.441 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -18.881 12.906 19.276 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -17.476 13.991 19.156 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -17.766 12.768 17.896 1.00 0.00 H new ATOM 312 N TYR A -8 -12.950 10.735 17.402 1.00 0.00 N ATOM 313 CA TYR A -8 -11.806 11.124 16.518 1.00 0.00 C ATOM 314 C TYR A -8 -11.920 10.499 15.124 1.00 0.00 C ATOM 315 O TYR A -8 -11.024 10.626 14.306 1.00 0.00 O ATOM 316 CB TYR A -8 -10.552 10.619 17.236 1.00 0.00 C ATOM 317 CG TYR A -8 -9.455 11.650 17.123 1.00 0.00 C ATOM 318 CD1 TYR A -8 -9.675 12.962 17.560 1.00 0.00 C ATOM 319 CD2 TYR A -8 -8.212 11.290 16.589 1.00 0.00 C ATOM 320 CE1 TYR A -8 -8.658 13.911 17.459 1.00 0.00 C ATOM 321 CE2 TYR A -8 -7.194 12.242 16.488 1.00 0.00 C ATOM 322 CZ TYR A -8 -7.416 13.552 16.925 1.00 0.00 C ATOM 323 OH TYR A -8 -6.414 14.492 16.824 1.00 0.00 O ATOM 0 H TYR A -8 -12.773 9.934 18.009 1.00 0.00 H new ATOM 0 HA TYR A -8 -11.785 12.202 16.356 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -10.775 10.424 18.285 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -10.225 9.676 16.799 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -10.633 13.239 17.975 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -8.040 10.277 16.255 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -8.829 14.924 17.793 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -6.236 11.966 16.073 1.00 0.00 H new ATOM 0 HH TYR A -8 -5.616 14.079 16.433 1.00 0.00 H new ATOM 333 N PHE A -7 -12.997 9.823 14.845 1.00 0.00 N ATOM 334 CA PHE A -7 -13.168 9.184 13.514 1.00 0.00 C ATOM 335 C PHE A -7 -14.488 9.618 12.880 1.00 0.00 C ATOM 336 O PHE A -7 -15.500 9.757 13.549 1.00 0.00 O ATOM 337 CB PHE A -7 -13.220 7.675 13.789 1.00 0.00 C ATOM 338 CG PHE A -7 -11.833 7.128 14.050 1.00 0.00 C ATOM 339 CD1 PHE A -7 -10.939 6.945 12.987 1.00 0.00 C ATOM 340 CD2 PHE A -7 -11.447 6.792 15.353 1.00 0.00 C ATOM 341 CE1 PHE A -7 -9.658 6.430 13.229 1.00 0.00 C ATOM 342 CE2 PHE A -7 -10.168 6.278 15.592 1.00 0.00 C ATOM 343 CZ PHE A -7 -9.274 6.095 14.535 1.00 0.00 C ATOM 0 H PHE A -7 -13.775 9.685 15.490 1.00 0.00 H new ATOM 0 HA PHE A -7 -12.362 9.461 12.835 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -13.861 7.479 14.649 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -13.664 7.161 12.937 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -11.237 7.201 11.981 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -12.136 6.929 16.173 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -8.968 6.291 12.410 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -9.871 6.022 16.598 1.00 0.00 H new ATOM 0 HZ PHE A -7 -8.288 5.696 14.723 1.00 0.00 H new ATOM 353 N GLN A -6 -14.492 9.785 11.592 1.00 0.00 N ATOM 354 CA GLN A -6 -15.751 10.151 10.871 1.00 0.00 C ATOM 355 C GLN A -6 -16.466 8.832 10.584 1.00 0.00 C ATOM 356 O GLN A -6 -17.374 8.431 11.284 1.00 0.00 O ATOM 357 CB GLN A -6 -15.294 10.873 9.585 1.00 0.00 C ATOM 358 CG GLN A -6 -14.403 12.077 9.943 1.00 0.00 C ATOM 359 CD GLN A -6 -13.309 12.235 8.883 1.00 0.00 C ATOM 360 OE1 GLN A -6 -13.563 12.737 7.808 1.00 0.00 O ATOM 361 NE2 GLN A -6 -12.093 11.828 9.137 1.00 0.00 N ATOM 0 H GLN A -6 -13.671 9.684 10.995 1.00 0.00 H new ATOM 0 HA GLN A -6 -16.432 10.802 11.419 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -14.745 10.182 8.946 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -16.163 11.209 9.019 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -15.004 12.984 9.998 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -13.954 11.932 10.926 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -11.875 11.405 10.039 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -11.363 11.933 8.433 1.00 0.00 H new ATOM 370 N GLY A -5 -15.974 8.131 9.629 1.00 0.00 N ATOM 371 CA GLY A -5 -16.484 6.768 9.311 1.00 0.00 C ATOM 372 C GLY A -5 -15.276 5.888 9.582 1.00 0.00 C ATOM 373 O GLY A -5 -14.854 5.760 10.719 1.00 0.00 O ATOM 0 H GLY A -5 -15.213 8.446 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -17.332 6.496 9.939 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -16.817 6.691 8.276 1.00 0.00 H new ATOM 377 N ALA A -4 -14.636 5.386 8.567 1.00 0.00 N ATOM 378 CA ALA A -4 -13.366 4.652 8.814 1.00 0.00 C ATOM 379 C ALA A -4 -12.322 5.765 8.956 1.00 0.00 C ATOM 380 O ALA A -4 -12.029 6.221 10.043 1.00 0.00 O ATOM 381 CB ALA A -4 -13.114 3.776 7.582 1.00 0.00 C ATOM 0 H ALA A -4 -14.930 5.449 7.592 1.00 0.00 H new ATOM 0 HA ALA A -4 -13.358 4.004 9.691 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -12.189 3.216 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -13.944 3.081 7.454 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -13.030 4.408 6.698 1.00 0.00 H new ATOM 387 N MET A -3 -11.857 6.282 7.845 1.00 0.00 N ATOM 388 CA MET A -3 -10.937 7.456 7.882 1.00 0.00 C ATOM 389 C MET A -3 -11.729 8.655 7.318 1.00 0.00 C ATOM 390 O MET A -3 -12.909 8.781 7.576 1.00 0.00 O ATOM 391 CB MET A -3 -9.700 7.095 7.036 1.00 0.00 C ATOM 392 CG MET A -3 -10.095 6.627 5.632 1.00 0.00 C ATOM 393 SD MET A -3 -9.372 4.993 5.309 1.00 0.00 S ATOM 394 CE MET A -3 -7.768 5.251 6.110 1.00 0.00 C ATOM 0 H MET A -3 -12.078 5.938 6.911 1.00 0.00 H new ATOM 0 HA MET A -3 -10.589 7.716 8.882 1.00 0.00 H new ATOM 0 HB2 MET A -3 -9.044 7.963 6.960 1.00 0.00 H new ATOM 0 HB3 MET A -3 -9.133 6.310 7.536 1.00 0.00 H new ATOM 0 HG2 MET A -3 -11.181 6.579 5.546 1.00 0.00 H new ATOM 0 HG3 MET A -3 -9.747 7.343 4.888 1.00 0.00 H new ATOM 0 HE1 MET A -3 -7.065 4.490 5.771 1.00 0.00 H new ATOM 0 HE2 MET A -3 -7.386 6.238 5.851 1.00 0.00 H new ATOM 0 HE3 MET A -3 -7.886 5.180 7.191 1.00 0.00 H new ATOM 404 N GLY A -2 -11.120 9.520 6.552 1.00 0.00 N ATOM 405 CA GLY A -2 -11.880 10.679 5.990 1.00 0.00 C ATOM 406 C GLY A -2 -12.418 10.338 4.594 1.00 0.00 C ATOM 407 O GLY A -2 -12.242 11.099 3.664 1.00 0.00 O ATOM 0 H GLY A -2 -10.135 9.477 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.706 10.936 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -11.232 11.554 5.934 1.00 0.00 H new ATOM 411 N SER A -1 -13.075 9.203 4.450 1.00 0.00 N ATOM 412 CA SER A -1 -13.646 8.775 3.120 1.00 0.00 C ATOM 413 C SER A -1 -12.808 9.317 1.943 1.00 0.00 C ATOM 414 O SER A -1 -13.302 10.034 1.094 1.00 0.00 O ATOM 415 CB SER A -1 -15.069 9.345 3.087 1.00 0.00 C ATOM 416 OG SER A -1 -16.004 8.269 2.965 1.00 0.00 O ATOM 0 H SER A -1 -13.243 8.544 5.210 1.00 0.00 H new ATOM 0 HA SER A -1 -13.639 7.690 3.016 1.00 0.00 H new ATOM 0 HB2 SER A -1 -15.267 9.913 3.996 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.178 10.034 2.250 1.00 0.00 H new ATOM 0 HG SER A -1 -15.713 7.518 3.523 1.00 0.00 H new ATOM 422 N GLY A 1 -11.546 8.979 1.893 1.00 0.00 N ATOM 423 CA GLY A 1 -10.679 9.479 0.783 1.00 0.00 C ATOM 424 C GLY A 1 -10.677 8.475 -0.373 1.00 0.00 C ATOM 425 O GLY A 1 -11.251 7.410 -0.267 1.00 0.00 O ATOM 0 H GLY A 1 -11.078 8.379 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.042 10.446 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.662 9.631 1.145 1.00 0.00 H new ATOM 429 N PRO A 2 -10.018 8.851 -1.441 1.00 0.00 N ATOM 430 CA PRO A 2 -9.934 7.976 -2.647 1.00 0.00 C ATOM 431 C PRO A 2 -9.237 6.649 -2.329 1.00 0.00 C ATOM 432 O PRO A 2 -9.614 5.606 -2.829 1.00 0.00 O ATOM 433 CB PRO A 2 -9.130 8.820 -3.643 1.00 0.00 C ATOM 434 CG PRO A 2 -8.369 9.782 -2.787 1.00 0.00 C ATOM 435 CD PRO A 2 -9.274 10.104 -1.630 1.00 0.00 C ATOM 0 HA PRO A 2 -10.912 7.689 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.459 8.200 -4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.785 9.341 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.433 9.342 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.111 10.682 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.709 10.378 -0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.938 10.939 -1.856 1.00 0.00 H new ATOM 443 N CYS A 3 -8.243 6.668 -1.487 1.00 0.00 N ATOM 444 CA CYS A 3 -7.559 5.396 -1.132 1.00 0.00 C ATOM 445 C CYS A 3 -8.503 4.556 -0.270 1.00 0.00 C ATOM 446 O CYS A 3 -8.643 3.367 -0.473 1.00 0.00 O ATOM 447 CB CYS A 3 -6.309 5.803 -0.353 1.00 0.00 C ATOM 448 SG CYS A 3 -5.379 4.336 0.147 1.00 0.00 S ATOM 0 H CYS A 3 -7.877 7.504 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.289 4.799 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.682 6.448 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.592 6.380 0.527 1.00 0.00 H new ATOM 453 N ARG A 4 -9.181 5.173 0.676 1.00 0.00 N ATOM 454 CA ARG A 4 -10.136 4.401 1.524 1.00 0.00 C ATOM 455 C ARG A 4 -11.159 3.700 0.623 1.00 0.00 C ATOM 456 O ARG A 4 -11.435 2.528 0.784 1.00 0.00 O ATOM 457 CB ARG A 4 -10.823 5.440 2.420 1.00 0.00 C ATOM 458 CG ARG A 4 -12.071 4.834 3.084 1.00 0.00 C ATOM 459 CD ARG A 4 -11.732 3.478 3.721 1.00 0.00 C ATOM 460 NE ARG A 4 -13.015 2.985 4.287 1.00 0.00 N ATOM 461 CZ ARG A 4 -13.579 1.915 3.804 1.00 0.00 C ATOM 462 NH1 ARG A 4 -13.032 0.744 4.000 1.00 0.00 N ATOM 463 NH2 ARG A 4 -14.686 2.016 3.119 1.00 0.00 N ATOM 0 H ARG A 4 -9.111 6.168 0.891 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.641 3.634 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.128 5.786 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.105 6.311 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.453 5.515 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.860 4.708 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.335 2.783 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.974 3.585 4.497 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.456 3.487 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.164 0.669 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.473 -0.095 3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.107 2.932 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.129 1.179 2.740 1.00 0.00 H new ATOM 477 N ARG A 5 -11.702 4.405 -0.342 1.00 0.00 N ATOM 478 CA ARG A 5 -12.689 3.762 -1.269 1.00 0.00 C ATOM 479 C ARG A 5 -12.002 2.611 -2.006 1.00 0.00 C ATOM 480 O ARG A 5 -12.558 1.543 -2.175 1.00 0.00 O ATOM 481 CB ARG A 5 -13.105 4.853 -2.265 1.00 0.00 C ATOM 482 CG ARG A 5 -13.613 6.088 -1.511 1.00 0.00 C ATOM 483 CD ARG A 5 -14.894 6.619 -2.166 1.00 0.00 C ATOM 484 NE ARG A 5 -15.989 6.309 -1.196 1.00 0.00 N ATOM 485 CZ ARG A 5 -16.146 7.052 -0.130 1.00 0.00 C ATOM 486 NH1 ARG A 5 -16.439 8.319 -0.263 1.00 0.00 N ATOM 487 NH2 ARG A 5 -16.014 6.529 1.062 1.00 0.00 N ATOM 0 H ARG A 5 -11.507 5.389 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.554 3.362 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.257 5.124 -2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.885 4.475 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.808 5.833 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.847 6.864 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.825 7.691 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.073 6.138 -3.128 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.613 5.520 -1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.544 8.723 -1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.563 8.903 0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.788 5.539 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.137 7.111 1.891 1.00 0.00 H new ATOM 501 N HIS A 6 -10.786 2.825 -2.435 1.00 0.00 N ATOM 502 CA HIS A 6 -10.043 1.750 -3.145 1.00 0.00 C ATOM 503 C HIS A 6 -9.789 0.586 -2.192 1.00 0.00 C ATOM 504 O HIS A 6 -9.935 -0.557 -2.560 1.00 0.00 O ATOM 505 CB HIS A 6 -8.714 2.373 -3.586 1.00 0.00 C ATOM 506 CG HIS A 6 -8.876 2.992 -4.948 1.00 0.00 C ATOM 507 ND1 HIS A 6 -9.397 4.266 -5.130 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.596 2.520 -6.206 1.00 0.00 C ATOM 509 CE1 HIS A 6 -9.414 4.510 -6.454 1.00 0.00 C ATOM 510 NE2 HIS A 6 -8.936 3.478 -7.155 1.00 0.00 N ATOM 0 H HIS A 6 -10.276 3.701 -2.323 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.602 1.366 -3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.398 3.129 -2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.934 1.612 -3.611 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -9.710 4.901 -4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.175 1.550 -6.426 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.771 5.429 -6.896 1.00 0.00 H new ATOM 518 N LEU A 7 -9.412 0.870 -0.968 1.00 0.00 N ATOM 519 CA LEU A 7 -9.143 -0.231 0.009 1.00 0.00 C ATOM 520 C LEU A 7 -10.377 -1.122 0.147 1.00 0.00 C ATOM 521 O LEU A 7 -10.292 -2.321 -0.004 1.00 0.00 O ATOM 522 CB LEU A 7 -8.840 0.462 1.348 1.00 0.00 C ATOM 523 CG LEU A 7 -7.372 0.229 1.740 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.117 0.774 3.147 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.059 -1.273 1.712 1.00 0.00 C ATOM 0 H LEU A 7 -9.279 1.814 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.316 -0.863 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.038 1.531 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.499 0.074 2.125 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.729 0.747 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.075 0.606 3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.329 1.843 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.765 0.262 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.017 -1.433 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.707 -1.793 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.230 -1.662 0.708 1.00 0.00 H new ATOM 537 N ASP A 8 -11.526 -0.550 0.416 1.00 0.00 N ATOM 538 CA ASP A 8 -12.761 -1.392 0.552 1.00 0.00 C ATOM 539 C ASP A 8 -13.009 -2.164 -0.742 1.00 0.00 C ATOM 540 O ASP A 8 -13.273 -3.355 -0.730 1.00 0.00 O ATOM 541 CB ASP A 8 -13.913 -0.415 0.810 1.00 0.00 C ATOM 542 CG ASP A 8 -14.945 -1.079 1.718 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.713 -1.884 1.229 1.00 0.00 O ATOM 544 OD2 ASP A 8 -14.954 -0.764 2.892 1.00 0.00 O ATOM 0 H ASP A 8 -11.664 0.452 0.546 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.665 -2.119 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.535 0.496 1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.376 -0.123 -0.133 1.00 0.00 H new ATOM 549 N SER A 9 -12.911 -1.495 -1.854 1.00 0.00 N ATOM 550 CA SER A 9 -13.132 -2.171 -3.165 1.00 0.00 C ATOM 551 C SER A 9 -12.036 -3.217 -3.387 1.00 0.00 C ATOM 552 O SER A 9 -12.318 -4.362 -3.700 1.00 0.00 O ATOM 553 CB SER A 9 -13.062 -1.061 -4.216 1.00 0.00 C ATOM 554 OG SER A 9 -13.780 0.082 -3.750 1.00 0.00 O ATOM 0 H SER A 9 -12.686 -0.502 -1.914 1.00 0.00 H new ATOM 0 HA SER A 9 -14.088 -2.692 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.023 -0.796 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.485 -1.410 -5.158 1.00 0.00 H new ATOM 0 HG SER A 9 -13.148 0.797 -3.526 1.00 0.00 H new ATOM 560 N VAL A 10 -10.794 -2.842 -3.199 1.00 0.00 N ATOM 561 CA VAL A 10 -9.683 -3.825 -3.367 1.00 0.00 C ATOM 562 C VAL A 10 -9.867 -4.954 -2.353 1.00 0.00 C ATOM 563 O VAL A 10 -9.731 -6.105 -2.684 1.00 0.00 O ATOM 564 CB VAL A 10 -8.392 -3.047 -3.082 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.204 -4.013 -3.031 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.154 -2.014 -4.188 1.00 0.00 C ATOM 0 H VAL A 10 -10.504 -1.900 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.659 -4.267 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.490 -2.539 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.290 -3.455 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.365 -4.746 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.111 -4.526 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.236 -1.464 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.064 -2.523 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.993 -1.319 -4.223 1.00 0.00 H new ATOM 576 N LEU A 11 -10.196 -4.623 -1.129 1.00 0.00 N ATOM 577 CA LEU A 11 -10.413 -5.674 -0.091 1.00 0.00 C ATOM 578 C LEU A 11 -11.512 -6.615 -0.555 1.00 0.00 C ATOM 579 O LEU A 11 -11.359 -7.824 -0.556 1.00 0.00 O ATOM 580 CB LEU A 11 -10.895 -4.913 1.140 1.00 0.00 C ATOM 581 CG LEU A 11 -9.744 -4.670 2.112 1.00 0.00 C ATOM 582 CD1 LEU A 11 -9.547 -5.907 2.992 1.00 0.00 C ATOM 583 CD2 LEU A 11 -8.445 -4.367 1.353 1.00 0.00 C ATOM 0 H LEU A 11 -10.324 -3.665 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.515 -6.260 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.329 -3.960 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.683 -5.478 1.637 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.991 -3.810 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.725 -5.733 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.460 -6.103 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.315 -6.767 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.638 -4.197 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.192 -5.212 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.581 -3.476 0.740 1.00 0.00 H new ATOM 595 N GLN A 12 -12.624 -6.065 -0.958 1.00 0.00 N ATOM 596 CA GLN A 12 -13.751 -6.927 -1.436 1.00 0.00 C ATOM 597 C GLN A 12 -13.307 -7.718 -2.672 1.00 0.00 C ATOM 598 O GLN A 12 -13.534 -8.911 -2.772 1.00 0.00 O ATOM 599 CB GLN A 12 -14.871 -5.956 -1.803 1.00 0.00 C ATOM 600 CG GLN A 12 -15.507 -5.408 -0.525 1.00 0.00 C ATOM 601 CD GLN A 12 -16.953 -5.879 -0.442 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.835 -5.243 -0.979 1.00 0.00 O ATOM 603 NE2 GLN A 12 -17.235 -6.979 0.194 1.00 0.00 N ATOM 0 H GLN A 12 -12.804 -5.061 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.071 -7.647 -0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.475 -5.138 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.623 -6.463 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.950 -5.750 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.466 -4.319 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.492 -7.512 0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.199 -7.308 0.241 1.00 0.00 H new ATOM 612 N GLN A 13 -12.664 -7.066 -3.603 1.00 0.00 N ATOM 613 CA GLN A 13 -12.183 -7.776 -4.830 1.00 0.00 C ATOM 614 C GLN A 13 -10.998 -8.696 -4.501 1.00 0.00 C ATOM 615 O GLN A 13 -10.801 -9.702 -5.143 1.00 0.00 O ATOM 616 CB GLN A 13 -11.759 -6.677 -5.810 1.00 0.00 C ATOM 617 CG GLN A 13 -12.852 -6.496 -6.866 1.00 0.00 C ATOM 618 CD GLN A 13 -12.961 -5.019 -7.257 1.00 0.00 C ATOM 619 OE1 GLN A 13 -12.836 -4.679 -8.417 1.00 0.00 O ATOM 620 NE2 GLN A 13 -13.194 -4.123 -6.341 1.00 0.00 N ATOM 0 H GLN A 13 -12.449 -6.069 -3.569 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.962 -8.411 -5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.594 -5.741 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.816 -6.943 -6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.623 -7.098 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.807 -6.850 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.299 -4.405 -5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.271 -3.139 -6.598 1.00 0.00 H new ATOM 629 N LEU A 14 -10.190 -8.335 -3.537 1.00 0.00 N ATOM 630 CA LEU A 14 -8.979 -9.148 -3.191 1.00 0.00 C ATOM 631 C LEU A 14 -9.301 -10.626 -3.023 1.00 0.00 C ATOM 632 O LEU A 14 -8.580 -11.465 -3.514 1.00 0.00 O ATOM 633 CB LEU A 14 -8.498 -8.598 -1.846 1.00 0.00 C ATOM 634 CG LEU A 14 -6.984 -8.420 -1.879 1.00 0.00 C ATOM 635 CD1 LEU A 14 -6.557 -7.510 -0.733 1.00 0.00 C ATOM 636 CD2 LEU A 14 -6.313 -9.782 -1.715 1.00 0.00 C ATOM 0 H LEU A 14 -10.318 -7.500 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.238 -9.075 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.982 -7.644 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.777 -9.279 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.689 -7.976 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.475 -7.381 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.040 -6.539 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.850 -7.958 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.230 -9.659 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.608 -10.221 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.621 -10.440 -2.528 1.00 0.00 H new ATOM 648 N GLN A 15 -10.352 -10.968 -2.331 1.00 0.00 N ATOM 649 CA GLN A 15 -10.651 -12.417 -2.148 1.00 0.00 C ATOM 650 C GLN A 15 -11.254 -13.021 -3.416 1.00 0.00 C ATOM 651 O GLN A 15 -11.160 -14.213 -3.638 1.00 0.00 O ATOM 652 CB GLN A 15 -11.628 -12.510 -0.966 1.00 0.00 C ATOM 653 CG GLN A 15 -11.937 -13.982 -0.645 1.00 0.00 C ATOM 654 CD GLN A 15 -10.649 -14.720 -0.252 1.00 0.00 C ATOM 655 OE1 GLN A 15 -10.392 -14.944 0.917 1.00 0.00 O ATOM 656 NE2 GLN A 15 -9.833 -15.122 -1.188 1.00 0.00 N ATOM 0 H GLN A 15 -11.007 -10.321 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.741 -12.983 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.199 -12.022 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.551 -11.981 -1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.661 -14.040 0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.391 -14.463 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.048 -14.934 -2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.980 -15.624 -0.940 1.00 0.00 H new ATOM 665 N THR A 16 -11.852 -12.226 -4.245 1.00 0.00 N ATOM 666 CA THR A 16 -12.436 -12.766 -5.491 1.00 0.00 C ATOM 667 C THR A 16 -11.400 -12.680 -6.617 1.00 0.00 C ATOM 668 O THR A 16 -11.244 -13.593 -7.409 1.00 0.00 O ATOM 669 CB THR A 16 -13.635 -11.852 -5.774 1.00 0.00 C ATOM 670 OG1 THR A 16 -14.716 -12.200 -4.917 1.00 0.00 O ATOM 671 CG2 THR A 16 -14.054 -12.008 -7.229 1.00 0.00 C ATOM 0 H THR A 16 -11.962 -11.221 -4.113 1.00 0.00 H new ATOM 0 HA THR A 16 -12.734 -13.812 -5.413 1.00 0.00 H new ATOM 0 HB THR A 16 -13.356 -10.815 -5.588 1.00 0.00 H new ATOM 0 HG1 THR A 16 -15.480 -11.613 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.906 -11.360 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.223 -11.732 -7.878 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.333 -13.045 -7.418 1.00 0.00 H new ATOM 679 N GLU A 17 -10.698 -11.585 -6.684 1.00 0.00 N ATOM 680 CA GLU A 17 -9.663 -11.396 -7.745 1.00 0.00 C ATOM 681 C GLU A 17 -8.269 -11.751 -7.210 1.00 0.00 C ATOM 682 O GLU A 17 -7.283 -11.156 -7.606 1.00 0.00 O ATOM 683 CB GLU A 17 -9.747 -9.914 -8.123 1.00 0.00 C ATOM 684 CG GLU A 17 -11.106 -9.619 -8.769 1.00 0.00 C ATOM 685 CD GLU A 17 -10.892 -9.059 -10.170 1.00 0.00 C ATOM 686 OE1 GLU A 17 -10.749 -9.841 -11.089 1.00 0.00 O ATOM 687 OE2 GLU A 17 -10.866 -7.852 -10.307 1.00 0.00 O ATOM 0 H GLU A 17 -10.797 -10.800 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.833 -12.043 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.614 -9.295 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.943 -9.659 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.703 -10.530 -8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.662 -8.905 -8.161 1.00 0.00 H new ATOM 694 N VAL A 18 -8.183 -12.689 -6.309 1.00 0.00 N ATOM 695 CA VAL A 18 -6.851 -13.059 -5.725 1.00 0.00 C ATOM 696 C VAL A 18 -5.804 -13.319 -6.808 1.00 0.00 C ATOM 697 O VAL A 18 -4.652 -12.958 -6.685 1.00 0.00 O ATOM 698 CB VAL A 18 -7.086 -14.351 -4.921 1.00 0.00 C ATOM 699 CG1 VAL A 18 -7.764 -14.028 -3.591 1.00 0.00 C ATOM 700 CG2 VAL A 18 -7.961 -15.339 -5.710 1.00 0.00 C ATOM 0 H VAL A 18 -8.975 -13.220 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.471 -12.243 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.116 -14.811 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.925 -14.949 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.128 -13.358 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.723 -13.546 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.112 -16.243 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.926 -14.880 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.466 -15.596 -6.647 1.00 0.00 H new ATOM 710 N TYR A 19 -6.208 -13.967 -7.836 1.00 0.00 N ATOM 711 CA TYR A 19 -5.292 -14.370 -8.961 1.00 0.00 C ATOM 712 C TYR A 19 -4.398 -13.288 -9.560 1.00 0.00 C ATOM 713 O TYR A 19 -3.736 -13.551 -10.548 1.00 0.00 O ATOM 714 CB TYR A 19 -6.207 -14.942 -10.030 1.00 0.00 C ATOM 715 CG TYR A 19 -6.740 -13.823 -10.900 1.00 0.00 C ATOM 716 CD1 TYR A 19 -7.632 -12.885 -10.366 1.00 0.00 C ATOM 717 CD2 TYR A 19 -6.326 -13.709 -12.233 1.00 0.00 C ATOM 718 CE1 TYR A 19 -8.107 -11.837 -11.160 1.00 0.00 C ATOM 719 CE2 TYR A 19 -6.806 -12.663 -13.029 1.00 0.00 C ATOM 720 CZ TYR A 19 -7.696 -11.727 -12.492 1.00 0.00 C ATOM 721 OH TYR A 19 -8.166 -10.690 -13.273 1.00 0.00 O ATOM 0 H TYR A 19 -7.177 -14.258 -7.970 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.563 -15.070 -8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.662 -15.662 -10.641 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.034 -15.479 -9.565 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.954 -12.971 -9.339 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.636 -14.429 -12.647 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.791 -11.112 -10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.489 -12.578 -14.058 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.783 -10.758 -14.172 1.00 0.00 H new ATOM 731 N ARG A 20 -4.359 -12.115 -9.027 1.00 0.00 N ATOM 732 CA ARG A 20 -3.467 -11.063 -9.641 1.00 0.00 C ATOM 733 C ARG A 20 -2.114 -11.743 -9.865 1.00 0.00 C ATOM 734 O ARG A 20 -1.677 -11.890 -10.990 1.00 0.00 O ATOM 735 CB ARG A 20 -3.393 -9.919 -8.625 1.00 0.00 C ATOM 736 CG ARG A 20 -4.207 -8.726 -9.147 1.00 0.00 C ATOM 737 CD ARG A 20 -5.650 -9.164 -9.451 1.00 0.00 C ATOM 738 NE ARG A 20 -6.219 -8.084 -10.309 1.00 0.00 N ATOM 739 CZ ARG A 20 -7.512 -8.012 -10.491 1.00 0.00 C ATOM 740 NH1 ARG A 20 -8.076 -8.687 -11.460 1.00 0.00 N ATOM 741 NH2 ARG A 20 -8.235 -7.249 -9.709 1.00 0.00 N ATOM 0 H ARG A 20 -4.889 -11.822 -8.206 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.818 -10.658 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.783 -10.247 -7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.356 -9.625 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.210 -7.926 -8.407 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.743 -8.325 -10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.669 -10.125 -9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.227 -9.282 -8.533 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.601 -7.404 -10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.507 -9.270 -12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.085 -8.630 -11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.789 -6.715 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.244 -7.189 -9.846 1.00 0.00 H new ATOM 755 N GLY A 21 -1.564 -12.335 -8.844 1.00 0.00 N ATOM 756 CA GLY A 21 -0.386 -13.219 -9.087 1.00 0.00 C ATOM 757 C GLY A 21 -0.916 -14.549 -8.572 1.00 0.00 C ATOM 758 O GLY A 21 -1.472 -15.331 -9.322 1.00 0.00 O ATOM 0 H GLY A 21 -1.867 -12.251 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.113 -13.263 -10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.498 -12.888 -8.543 1.00 0.00 H new ATOM 762 N ALA A 22 -0.982 -14.691 -7.269 1.00 0.00 N ATOM 763 CA ALA A 22 -1.742 -15.827 -6.676 1.00 0.00 C ATOM 764 C ALA A 22 -2.988 -15.181 -6.077 1.00 0.00 C ATOM 765 O ALA A 22 -4.096 -15.347 -6.527 1.00 0.00 O ATOM 766 CB ALA A 22 -0.882 -16.442 -5.599 1.00 0.00 C ATOM 0 H ALA A 22 -0.541 -14.067 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.007 -16.609 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.412 -17.279 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.051 -16.798 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.663 -15.694 -4.837 1.00 0.00 H new ATOM 772 N GLN A 23 -2.710 -14.375 -5.053 1.00 0.00 N ATOM 773 CA GLN A 23 -3.705 -13.521 -4.317 1.00 0.00 C ATOM 774 C GLN A 23 -3.190 -12.050 -4.336 1.00 0.00 C ATOM 775 O GLN A 23 -3.625 -11.226 -3.566 1.00 0.00 O ATOM 776 CB GLN A 23 -3.748 -14.033 -2.870 1.00 0.00 C ATOM 777 CG GLN A 23 -3.807 -15.564 -2.832 1.00 0.00 C ATOM 778 CD GLN A 23 -2.936 -16.076 -1.675 1.00 0.00 C ATOM 779 OE1 GLN A 23 -2.600 -15.327 -0.773 1.00 0.00 O ATOM 780 NE2 GLN A 23 -2.546 -17.322 -1.655 1.00 0.00 N ATOM 0 H GLN A 23 -1.764 -14.279 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.696 -13.565 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.867 -13.686 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.617 -13.619 -2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.837 -15.897 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.455 -15.977 -3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.823 -17.955 -2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.965 -17.662 -0.889 1.00 0.00 H new ATOM 789 N THR A 24 -2.156 -11.800 -5.109 1.00 0.00 N ATOM 790 CA THR A 24 -1.386 -10.494 -5.111 1.00 0.00 C ATOM 791 C THR A 24 -2.089 -9.235 -5.626 1.00 0.00 C ATOM 792 O THR A 24 -1.549 -8.497 -6.438 1.00 0.00 O ATOM 793 CB THR A 24 -0.134 -10.761 -5.932 1.00 0.00 C ATOM 794 OG1 THR A 24 -0.030 -12.157 -6.243 1.00 0.00 O ATOM 795 CG2 THR A 24 1.057 -10.311 -5.104 1.00 0.00 C ATOM 0 H THR A 24 -1.792 -12.481 -5.775 1.00 0.00 H new ATOM 0 HA THR A 24 -1.214 -10.237 -4.066 1.00 0.00 H new ATOM 0 HB THR A 24 -0.170 -10.216 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.900 -12.374 -6.464 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.976 -10.488 -5.663 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.966 -9.248 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.085 -10.874 -4.171 1.00 0.00 H new ATOM 803 N LEU A 25 -3.248 -8.950 -5.151 1.00 0.00 N ATOM 804 CA LEU A 25 -3.932 -7.709 -5.601 1.00 0.00 C ATOM 805 C LEU A 25 -3.247 -6.492 -4.957 1.00 0.00 C ATOM 806 O LEU A 25 -2.647 -6.566 -3.901 1.00 0.00 O ATOM 807 CB LEU A 25 -5.367 -7.810 -5.087 1.00 0.00 C ATOM 808 CG LEU A 25 -6.153 -8.804 -5.933 1.00 0.00 C ATOM 809 CD1 LEU A 25 -6.236 -10.131 -5.187 1.00 0.00 C ATOM 810 CD2 LEU A 25 -7.564 -8.262 -6.171 1.00 0.00 C ATOM 0 H LEU A 25 -3.760 -9.513 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.897 -7.597 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.367 -8.127 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.845 -6.831 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.656 -8.951 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.797 -10.850 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.230 -10.513 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.740 -9.981 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.129 -8.971 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.066 -8.121 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.504 -7.307 -6.693 1.00 0.00 H new ATOM 822 N TYR A 26 -3.313 -5.390 -5.627 1.00 0.00 N ATOM 823 CA TYR A 26 -2.651 -4.130 -5.143 1.00 0.00 C ATOM 824 C TYR A 26 -3.433 -3.505 -3.979 1.00 0.00 C ATOM 825 O TYR A 26 -4.508 -2.970 -4.162 1.00 0.00 O ATOM 826 CB TYR A 26 -2.693 -3.226 -6.380 1.00 0.00 C ATOM 827 CG TYR A 26 -1.882 -1.963 -6.196 1.00 0.00 C ATOM 828 CD1 TYR A 26 -2.311 -0.970 -5.311 1.00 0.00 C ATOM 829 CD2 TYR A 26 -0.733 -1.760 -6.967 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.597 0.230 -5.202 1.00 0.00 C ATOM 831 CE2 TYR A 26 -0.017 -0.571 -6.851 1.00 0.00 C ATOM 832 CZ TYR A 26 -0.446 0.429 -5.976 1.00 0.00 C ATOM 833 OH TYR A 26 0.261 1.611 -5.883 1.00 0.00 O ATOM 0 H TYR A 26 -3.807 -5.292 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.643 -4.294 -4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.315 -3.776 -7.242 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.728 -2.962 -6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.194 -1.128 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.401 -2.525 -7.653 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.933 1.000 -4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.875 -0.422 -7.441 1.00 0.00 H new ATOM 0 HH TYR A 26 0.421 1.968 -6.782 1.00 0.00 H new ATOM 843 N VAL A 27 -2.894 -3.550 -2.789 1.00 0.00 N ATOM 844 CA VAL A 27 -3.599 -2.940 -1.622 1.00 0.00 C ATOM 845 C VAL A 27 -2.941 -1.594 -1.274 1.00 0.00 C ATOM 846 O VAL A 27 -1.757 -1.536 -0.993 1.00 0.00 O ATOM 847 CB VAL A 27 -3.447 -3.954 -0.478 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.078 -3.403 0.802 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.159 -5.253 -0.859 1.00 0.00 C ATOM 0 H VAL A 27 -1.996 -3.983 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.651 -2.736 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.387 -4.140 -0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.964 -4.130 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.582 -2.473 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.138 -3.212 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.054 -5.976 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.216 -5.052 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.715 -5.658 -1.768 1.00 0.00 H new ATOM 859 N PRO A 28 -3.731 -0.552 -1.335 1.00 0.00 N ATOM 860 CA PRO A 28 -3.228 0.812 -1.048 1.00 0.00 C ATOM 861 C PRO A 28 -3.283 1.141 0.452 1.00 0.00 C ATOM 862 O PRO A 28 -4.155 0.683 1.166 1.00 0.00 O ATOM 863 CB PRO A 28 -4.195 1.699 -1.826 1.00 0.00 C ATOM 864 CG PRO A 28 -5.468 0.909 -1.962 1.00 0.00 C ATOM 865 CD PRO A 28 -5.155 -0.543 -1.682 1.00 0.00 C ATOM 0 HA PRO A 28 -2.183 0.941 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.373 2.637 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.788 1.954 -2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.220 1.277 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.881 1.022 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.765 -0.930 -0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.355 -1.167 -2.553 1.00 0.00 H new ATOM 873 N ASN A 29 -2.373 1.957 0.923 1.00 0.00 N ATOM 874 CA ASN A 29 -2.379 2.361 2.366 1.00 0.00 C ATOM 875 C ASN A 29 -2.922 3.780 2.454 1.00 0.00 C ATOM 876 O ASN A 29 -2.462 4.659 1.748 1.00 0.00 O ATOM 877 CB ASN A 29 -0.923 2.342 2.819 1.00 0.00 C ATOM 878 CG ASN A 29 -0.859 2.315 4.348 1.00 0.00 C ATOM 879 OD1 ASN A 29 -0.747 1.261 4.942 1.00 0.00 O ATOM 880 ND2 ASN A 29 -0.929 3.434 5.017 1.00 0.00 N ATOM 0 H ASN A 29 -1.621 2.364 0.367 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.990 1.701 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.416 1.469 2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.402 3.221 2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.890 3.422 6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.023 4.320 4.520 1.00 0.00 H new ATOM 887 N CYS A 30 -3.894 4.025 3.281 1.00 0.00 N ATOM 888 CA CYS A 30 -4.451 5.404 3.348 1.00 0.00 C ATOM 889 C CYS A 30 -4.312 5.994 4.750 1.00 0.00 C ATOM 890 O CYS A 30 -4.395 5.298 5.746 1.00 0.00 O ATOM 891 CB CYS A 30 -5.937 5.255 2.996 1.00 0.00 C ATOM 892 SG CYS A 30 -6.198 3.817 1.915 1.00 0.00 S ATOM 0 H CYS A 30 -4.324 3.343 3.906 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.921 6.074 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.523 5.142 3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.291 6.159 2.500 1.00 0.00 H new ATOM 897 N ASP A 31 -4.131 7.281 4.826 1.00 0.00 N ATOM 898 CA ASP A 31 -4.021 7.971 6.142 1.00 0.00 C ATOM 899 C ASP A 31 -5.408 8.495 6.545 1.00 0.00 C ATOM 900 O ASP A 31 -6.374 8.309 5.826 1.00 0.00 O ATOM 901 CB ASP A 31 -3.029 9.115 5.927 1.00 0.00 C ATOM 902 CG ASP A 31 -3.745 10.314 5.315 1.00 0.00 C ATOM 903 OD1 ASP A 31 -4.031 10.271 4.129 1.00 0.00 O ATOM 904 OD2 ASP A 31 -3.998 11.253 6.045 1.00 0.00 O ATOM 0 H ASP A 31 -4.053 7.897 4.016 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.677 7.314 6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.575 9.397 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.221 8.789 5.272 1.00 0.00 H new ATOM 909 N HIS A 32 -5.516 9.124 7.686 1.00 0.00 N ATOM 910 CA HIS A 32 -6.848 9.651 8.149 1.00 0.00 C ATOM 911 C HIS A 32 -7.548 10.445 7.033 1.00 0.00 C ATOM 912 O HIS A 32 -8.760 10.532 7.002 1.00 0.00 O ATOM 913 CB HIS A 32 -6.539 10.584 9.328 1.00 0.00 C ATOM 914 CG HIS A 32 -5.838 9.823 10.417 1.00 0.00 C ATOM 915 ND1 HIS A 32 -4.584 10.185 10.875 1.00 0.00 N ATOM 916 CD2 HIS A 32 -6.197 8.710 11.136 1.00 0.00 C ATOM 917 CE1 HIS A 32 -4.230 9.303 11.827 1.00 0.00 C ATOM 918 NE2 HIS A 32 -5.180 8.384 12.025 1.00 0.00 N ATOM 0 H HIS A 32 -4.740 9.299 8.324 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.514 8.834 8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.915 11.412 8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.463 11.016 9.712 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -4.029 10.977 10.550 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.127 8.171 11.027 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.294 9.334 12.365 1.00 0.00 H new ATOM 926 N ARG A 33 -6.808 11.003 6.110 1.00 0.00 N ATOM 927 CA ARG A 33 -7.431 11.772 4.998 1.00 0.00 C ATOM 928 C ARG A 33 -7.964 10.804 3.906 1.00 0.00 C ATOM 929 O ARG A 33 -8.477 11.220 2.884 1.00 0.00 O ATOM 930 CB ARG A 33 -6.293 12.677 4.492 1.00 0.00 C ATOM 931 CG ARG A 33 -6.473 12.998 3.014 1.00 0.00 C ATOM 932 CD ARG A 33 -7.717 13.875 2.825 1.00 0.00 C ATOM 933 NE ARG A 33 -7.310 15.248 3.246 1.00 0.00 N ATOM 934 CZ ARG A 33 -6.991 16.138 2.343 1.00 0.00 C ATOM 935 NH1 ARG A 33 -7.910 16.609 1.537 1.00 0.00 N ATOM 936 NH2 ARG A 33 -5.754 16.550 2.252 1.00 0.00 N ATOM 0 H ARG A 33 -5.789 10.957 6.081 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.298 12.359 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.273 13.601 5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.334 12.184 4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.591 13.514 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.575 12.076 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.049 13.866 1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.548 13.511 3.428 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.281 15.491 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.873 16.281 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.663 17.303 0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.045 16.177 2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.498 17.244 1.550 1.00 0.00 H new ATOM 950 N GLY A 34 -7.879 9.516 4.128 1.00 0.00 N ATOM 951 CA GLY A 34 -8.397 8.534 3.133 1.00 0.00 C ATOM 952 C GLY A 34 -7.585 8.526 1.829 1.00 0.00 C ATOM 953 O GLY A 34 -7.902 7.771 0.930 1.00 0.00 O ATOM 0 H GLY A 34 -7.469 9.102 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.382 7.536 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.438 8.767 2.907 1.00 0.00 H new ATOM 957 N PHE A 35 -6.547 9.314 1.703 1.00 0.00 N ATOM 958 CA PHE A 35 -5.739 9.277 0.439 1.00 0.00 C ATOM 959 C PHE A 35 -4.651 8.200 0.563 1.00 0.00 C ATOM 960 O PHE A 35 -4.351 7.755 1.653 1.00 0.00 O ATOM 961 CB PHE A 35 -5.097 10.663 0.324 1.00 0.00 C ATOM 962 CG PHE A 35 -5.911 11.521 -0.617 1.00 0.00 C ATOM 963 CD1 PHE A 35 -7.074 12.148 -0.158 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.506 11.685 -1.948 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.826 12.948 -1.026 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.259 12.485 -2.813 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.422 13.114 -2.353 1.00 0.00 C ATOM 0 H PHE A 35 -6.224 9.975 2.410 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.346 9.042 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.043 11.133 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.075 10.572 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.392 12.015 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.613 11.194 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.720 13.438 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.943 12.618 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.006 13.727 -3.023 1.00 0.00 H new ATOM 977 N TYR A 36 -4.027 7.805 -0.525 1.00 0.00 N ATOM 978 CA TYR A 36 -2.920 6.787 -0.418 1.00 0.00 C ATOM 979 C TYR A 36 -1.734 7.551 0.147 1.00 0.00 C ATOM 980 O TYR A 36 -0.984 8.140 -0.596 1.00 0.00 O ATOM 981 CB TYR A 36 -2.570 6.294 -1.843 1.00 0.00 C ATOM 982 CG TYR A 36 -3.775 6.272 -2.769 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.565 5.121 -2.869 1.00 0.00 C ATOM 984 CD2 TYR A 36 -4.082 7.399 -3.542 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.666 5.101 -3.739 1.00 0.00 C ATOM 986 CE2 TYR A 36 -5.179 7.381 -4.410 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.970 6.234 -4.510 1.00 0.00 C ATOM 988 OH TYR A 36 -7.056 6.219 -5.364 1.00 0.00 O ATOM 0 H TYR A 36 -4.229 8.135 -1.469 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.191 5.931 0.199 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.802 6.940 -2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.145 5.292 -1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.328 4.249 -2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.469 8.285 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.279 4.215 -3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.414 8.253 -5.002 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.788 5.713 -4.953 1.00 0.00 H new ATOM 998 N ARG A 37 -1.611 7.671 1.442 1.00 0.00 N ATOM 999 CA ARG A 37 -0.513 8.547 1.935 1.00 0.00 C ATOM 1000 C ARG A 37 0.888 7.935 1.916 1.00 0.00 C ATOM 1001 O ARG A 37 1.775 8.459 1.277 1.00 0.00 O ATOM 1002 CB ARG A 37 -0.911 8.930 3.368 1.00 0.00 C ATOM 1003 CG ARG A 37 0.128 9.899 3.933 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.552 10.900 4.872 1.00 0.00 C ATOM 1005 NE ARG A 37 -0.553 12.193 4.131 1.00 0.00 N ATOM 1006 CZ ARG A 37 -1.672 12.666 3.645 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -2.624 13.048 4.455 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -1.836 12.741 2.351 1.00 0.00 N ATOM 0 H ARG A 37 -2.193 7.224 2.150 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.421 9.396 1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.898 9.392 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.973 8.039 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.898 9.347 4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.625 10.429 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.567 10.585 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.011 10.987 5.814 1.00 0.00 H new ATOM 0 HE ARG A 37 0.318 12.709 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.494 12.977 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.497 13.417 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.093 12.431 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.707 13.109 1.968 1.00 0.00 H new ATOM 1022 N LYS A 38 1.121 6.902 2.658 1.00 0.00 N ATOM 1023 CA LYS A 38 2.511 6.339 2.710 1.00 0.00 C ATOM 1024 C LYS A 38 2.811 5.106 1.834 1.00 0.00 C ATOM 1025 O LYS A 38 3.845 5.042 1.191 1.00 0.00 O ATOM 1026 CB LYS A 38 2.706 5.971 4.180 1.00 0.00 C ATOM 1027 CG LYS A 38 4.194 5.743 4.429 1.00 0.00 C ATOM 1028 CD LYS A 38 4.591 6.310 5.791 1.00 0.00 C ATOM 1029 CE LYS A 38 4.577 5.184 6.843 1.00 0.00 C ATOM 1030 NZ LYS A 38 6.001 4.780 7.018 1.00 0.00 N ATOM 0 H LYS A 38 0.428 6.419 3.229 1.00 0.00 H new ATOM 0 HA LYS A 38 3.191 7.088 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.332 6.768 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.139 5.073 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.418 4.677 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.780 6.220 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.584 6.757 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.901 7.102 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.150 5.532 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.969 4.343 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.069 4.064 7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.361 4.382 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.568 5.612 7.279 1.00 0.00 H new ATOM 1044 N ARG A 39 1.997 4.079 1.908 1.00 0.00 N ATOM 1045 CA ARG A 39 2.344 2.810 1.179 1.00 0.00 C ATOM 1046 C ARG A 39 1.333 2.334 0.116 1.00 0.00 C ATOM 1047 O ARG A 39 0.133 2.427 0.279 1.00 0.00 O ATOM 1048 CB ARG A 39 2.452 1.784 2.320 1.00 0.00 C ATOM 1049 CG ARG A 39 2.658 0.369 1.767 1.00 0.00 C ATOM 1050 CD ARG A 39 1.543 -0.546 2.291 1.00 0.00 C ATOM 1051 NE ARG A 39 1.742 -0.610 3.777 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.085 -1.494 4.489 1.00 0.00 C ATOM 1053 NH1 ARG A 39 1.547 -2.714 4.604 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -0.011 -1.141 5.109 1.00 0.00 N ATOM 0 H ARG A 39 1.122 4.060 2.431 1.00 0.00 H new ATOM 0 HA ARG A 39 3.246 2.956 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.283 2.048 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.547 1.813 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.648 0.387 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.632 -0.015 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.559 -0.147 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.606 -1.538 1.843 1.00 0.00 H new ATOM 0 HE ARG A 39 2.388 0.034 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.417 -2.976 4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.037 -3.402 5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.351 -0.182 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.526 -1.825 5.664 1.00 0.00 H new ATOM 1068 N GLN A 40 1.849 1.696 -0.908 1.00 0.00 N ATOM 1069 CA GLN A 40 1.000 1.036 -1.949 1.00 0.00 C ATOM 1070 C GLN A 40 1.735 -0.256 -2.305 1.00 0.00 C ATOM 1071 O GLN A 40 2.919 -0.225 -2.605 1.00 0.00 O ATOM 1072 CB GLN A 40 0.913 1.949 -3.172 1.00 0.00 C ATOM 1073 CG GLN A 40 0.371 3.324 -2.778 1.00 0.00 C ATOM 1074 CD GLN A 40 -1.105 3.418 -3.157 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.964 3.197 -2.336 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -1.436 3.731 -4.378 1.00 0.00 N ATOM 0 H GLN A 40 2.852 1.604 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.015 0.838 -1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.899 2.056 -3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.265 1.498 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.493 3.481 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.937 4.108 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.711 3.918 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.420 3.789 -4.641 1.00 0.00 H new ATOM 1085 N CYS A 41 1.112 -1.397 -2.216 1.00 0.00 N ATOM 1086 CA CYS A 41 1.877 -2.645 -2.515 1.00 0.00 C ATOM 1087 C CYS A 41 1.040 -3.706 -3.218 1.00 0.00 C ATOM 1088 O CYS A 41 -0.149 -3.843 -2.972 1.00 0.00 O ATOM 1089 CB CYS A 41 2.286 -3.201 -1.148 1.00 0.00 C ATOM 1090 SG CYS A 41 3.029 -1.906 -0.128 1.00 0.00 S ATOM 0 H CYS A 41 0.133 -1.523 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 41 2.710 -2.410 -3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.413 -3.614 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.995 -4.019 -1.280 1.00 0.00 H new ATOM 1095 N ARG A 42 1.684 -4.548 -3.992 1.00 0.00 N ATOM 1096 CA ARG A 42 0.956 -5.698 -4.589 1.00 0.00 C ATOM 1097 C ARG A 42 0.882 -6.679 -3.428 1.00 0.00 C ATOM 1098 O ARG A 42 1.908 -7.114 -2.935 1.00 0.00 O ATOM 1099 CB ARG A 42 1.839 -6.236 -5.725 1.00 0.00 C ATOM 1100 CG ARG A 42 1.793 -5.272 -6.916 1.00 0.00 C ATOM 1101 CD ARG A 42 0.456 -5.417 -7.652 1.00 0.00 C ATOM 1102 NE ARG A 42 0.816 -5.756 -9.061 1.00 0.00 N ATOM 1103 CZ ARG A 42 0.882 -7.009 -9.439 1.00 0.00 C ATOM 1104 NH1 ARG A 42 -0.204 -7.743 -9.447 1.00 0.00 N ATOM 1105 NH2 ARG A 42 2.030 -7.522 -9.798 1.00 0.00 N ATOM 0 H ARG A 42 2.674 -4.485 -4.231 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.030 -5.483 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.866 -6.351 -5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.493 -7.224 -6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.918 -4.246 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.618 -5.482 -7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.157 -6.199 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.121 -4.493 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 42 1.011 -5.011 -9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.095 -7.338 -9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.158 -8.719 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.872 -6.947 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.083 -8.497 -10.092 1.00 0.00 H new ATOM 1119 N SER A 43 -0.286 -6.941 -2.915 1.00 0.00 N ATOM 1120 CA SER A 43 -0.377 -7.804 -1.698 1.00 0.00 C ATOM 1121 C SER A 43 -1.315 -9.000 -1.874 1.00 0.00 C ATOM 1122 O SER A 43 -2.198 -8.999 -2.707 1.00 0.00 O ATOM 1123 CB SER A 43 -0.919 -6.867 -0.614 1.00 0.00 C ATOM 1124 OG SER A 43 -0.185 -5.637 -0.625 1.00 0.00 O ATOM 0 H SER A 43 -1.176 -6.600 -3.279 1.00 0.00 H new ATOM 0 HA SER A 43 0.593 -8.240 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.977 -6.671 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.837 -7.341 0.364 1.00 0.00 H new ATOM 0 HG SER A 43 -0.424 -5.106 0.163 1.00 0.00 H new ATOM 1130 N SER A 44 -1.126 -10.006 -1.062 1.00 0.00 N ATOM 1131 CA SER A 44 -1.989 -11.212 -1.121 1.00 0.00 C ATOM 1132 C SER A 44 -2.751 -11.348 0.196 1.00 0.00 C ATOM 1133 O SER A 44 -2.302 -10.880 1.228 1.00 0.00 O ATOM 1134 CB SER A 44 -1.021 -12.385 -1.316 1.00 0.00 C ATOM 1135 OG SER A 44 -0.009 -12.343 -0.312 1.00 0.00 O ATOM 0 H SER A 44 -0.396 -10.039 -0.350 1.00 0.00 H new ATOM 0 HA SER A 44 -2.727 -11.169 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.563 -13.329 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.568 -12.335 -2.306 1.00 0.00 H new ATOM 0 HG SER A 44 -0.040 -13.167 0.218 1.00 0.00 H new ATOM 1141 N GLN A 45 -3.887 -11.995 0.179 1.00 0.00 N ATOM 1142 CA GLN A 45 -4.660 -12.167 1.447 1.00 0.00 C ATOM 1143 C GLN A 45 -3.791 -12.880 2.497 1.00 0.00 C ATOM 1144 O GLN A 45 -3.967 -12.694 3.684 1.00 0.00 O ATOM 1145 CB GLN A 45 -5.890 -13.009 1.071 1.00 0.00 C ATOM 1146 CG GLN A 45 -5.472 -14.423 0.648 1.00 0.00 C ATOM 1147 CD GLN A 45 -6.726 -15.245 0.349 1.00 0.00 C ATOM 1148 OE1 GLN A 45 -6.976 -15.604 -0.785 1.00 0.00 O ATOM 1149 NE2 GLN A 45 -7.536 -15.549 1.321 1.00 0.00 N ATOM 0 H GLN A 45 -4.311 -12.409 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.960 -11.214 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.572 -13.065 1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.432 -12.526 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.832 -14.378 -0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.891 -14.897 1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.326 -15.248 2.273 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.381 -16.089 1.131 1.00 0.00 H new ATOM 1158 N GLY A 46 -2.847 -13.689 2.068 1.00 0.00 N ATOM 1159 CA GLY A 46 -1.968 -14.393 3.042 1.00 0.00 C ATOM 1160 C GLY A 46 -0.887 -13.430 3.543 1.00 0.00 C ATOM 1161 O GLY A 46 -1.121 -12.244 3.699 1.00 0.00 O ATOM 0 H GLY A 46 -2.653 -13.887 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.559 -14.762 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.507 -15.261 2.571 1.00 0.00 H new ATOM 1165 N GLN A 47 0.295 -13.922 3.793 1.00 0.00 N ATOM 1166 CA GLN A 47 1.391 -13.028 4.293 1.00 0.00 C ATOM 1167 C GLN A 47 2.472 -12.820 3.219 1.00 0.00 C ATOM 1168 O GLN A 47 3.502 -12.223 3.471 1.00 0.00 O ATOM 1169 CB GLN A 47 1.975 -13.754 5.509 1.00 0.00 C ATOM 1170 CG GLN A 47 0.839 -14.283 6.398 1.00 0.00 C ATOM 1171 CD GLN A 47 1.044 -13.802 7.836 1.00 0.00 C ATOM 1172 OE1 GLN A 47 1.182 -12.617 8.077 1.00 0.00 O ATOM 1173 NE2 GLN A 47 1.076 -14.670 8.806 1.00 0.00 N ATOM 0 H GLN A 47 0.554 -14.901 3.675 1.00 0.00 H new ATOM 0 HA GLN A 47 1.016 -12.036 4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.607 -14.580 5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.608 -13.075 6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.123 -13.935 6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.818 -15.372 6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.960 -15.663 8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.217 -14.357 9.766 1.00 0.00 H new ATOM 1182 N ARG A 48 2.242 -13.301 2.024 1.00 0.00 N ATOM 1183 CA ARG A 48 3.254 -13.129 0.932 1.00 0.00 C ATOM 1184 C ARG A 48 3.158 -11.734 0.299 1.00 0.00 C ATOM 1185 O ARG A 48 3.974 -11.377 -0.526 1.00 0.00 O ATOM 1186 CB ARG A 48 2.919 -14.199 -0.110 1.00 0.00 C ATOM 1187 CG ARG A 48 3.474 -15.556 0.338 1.00 0.00 C ATOM 1188 CD ARG A 48 5.000 -15.484 0.508 1.00 0.00 C ATOM 1189 NE ARG A 48 5.517 -14.815 -0.726 1.00 0.00 N ATOM 1190 CZ ARG A 48 6.463 -13.915 -0.627 1.00 0.00 C ATOM 1191 NH1 ARG A 48 7.666 -14.281 -0.274 1.00 0.00 N ATOM 1192 NH2 ARG A 48 6.200 -12.660 -0.872 1.00 0.00 N ATOM 0 H ARG A 48 1.398 -13.806 1.755 1.00 0.00 H new ATOM 0 HA ARG A 48 4.268 -13.230 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.839 -14.264 -0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.343 -13.924 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.011 -15.852 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.220 -16.320 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.268 -14.919 1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.428 -16.480 0.621 1.00 0.00 H new ATOM 0 HE ARG A 48 5.135 -15.059 -1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.864 -15.262 -0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.408 -13.586 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.257 -12.380 -1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.938 -11.960 -0.795 1.00 0.00 H new ATOM 1206 N ARG A 49 2.154 -10.972 0.658 1.00 0.00 N ATOM 1207 CA ARG A 49 1.954 -9.602 0.078 1.00 0.00 C ATOM 1208 C ARG A 49 3.278 -8.937 -0.313 1.00 0.00 C ATOM 1209 O ARG A 49 4.105 -8.609 0.524 1.00 0.00 O ATOM 1210 CB ARG A 49 1.245 -8.790 1.174 1.00 0.00 C ATOM 1211 CG ARG A 49 2.017 -8.879 2.497 1.00 0.00 C ATOM 1212 CD ARG A 49 1.122 -9.483 3.590 1.00 0.00 C ATOM 1213 NE ARG A 49 -0.106 -8.634 3.616 1.00 0.00 N ATOM 1214 CZ ARG A 49 -0.186 -7.624 4.445 1.00 0.00 C ATOM 1215 NH1 ARG A 49 -0.398 -7.852 5.712 1.00 0.00 N ATOM 1216 NH2 ARG A 49 -0.054 -6.399 4.005 1.00 0.00 N ATOM 0 H ARG A 49 1.449 -11.246 1.343 1.00 0.00 H new ATOM 0 HA ARG A 49 1.370 -9.656 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.161 -7.748 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.231 -9.164 1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.909 -9.492 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.353 -7.887 2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.876 -10.521 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.625 -9.475 4.557 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.883 -8.841 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.500 -8.810 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.462 -7.072 6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.112 -6.228 3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.117 -5.614 4.654 1.00 0.00 H new ATOM 1230 N GLY A 50 3.470 -8.727 -1.582 1.00 0.00 N ATOM 1231 CA GLY A 50 4.713 -8.076 -2.068 1.00 0.00 C ATOM 1232 C GLY A 50 4.547 -7.766 -3.562 1.00 0.00 C ATOM 1233 O GLY A 50 3.752 -8.398 -4.238 1.00 0.00 O ATOM 0 H GLY A 50 2.808 -8.983 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.904 -7.160 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.570 -8.730 -1.910 1.00 0.00 H new ATOM 1237 N PRO A 51 5.301 -6.816 -4.039 1.00 0.00 N ATOM 1238 CA PRO A 51 6.259 -6.074 -3.195 1.00 0.00 C ATOM 1239 C PRO A 51 5.656 -4.768 -2.669 1.00 0.00 C ATOM 1240 O PRO A 51 4.807 -4.153 -3.293 1.00 0.00 O ATOM 1241 CB PRO A 51 7.392 -5.772 -4.162 1.00 0.00 C ATOM 1242 CG PRO A 51 6.776 -5.786 -5.533 1.00 0.00 C ATOM 1243 CD PRO A 51 5.372 -6.347 -5.422 1.00 0.00 C ATOM 0 HA PRO A 51 6.563 -6.635 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.843 -4.803 -3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.184 -6.517 -4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.750 -4.778 -5.947 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.375 -6.394 -6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.618 -5.587 -5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.207 -7.159 -6.130 1.00 0.00 H new ATOM 1251 N CYS A 52 6.112 -4.342 -1.528 1.00 0.00 N ATOM 1252 CA CYS A 52 5.619 -3.065 -0.934 1.00 0.00 C ATOM 1253 C CYS A 52 6.550 -1.914 -1.315 1.00 0.00 C ATOM 1254 O CYS A 52 7.755 -2.084 -1.386 1.00 0.00 O ATOM 1255 CB CYS A 52 5.649 -3.269 0.584 1.00 0.00 C ATOM 1256 SG CYS A 52 4.015 -2.941 1.298 1.00 0.00 S ATOM 0 H CYS A 52 6.815 -4.829 -0.972 1.00 0.00 H new ATOM 0 HA CYS A 52 4.619 -2.819 -1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.955 -4.289 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.389 -2.605 1.032 1.00 0.00 H new ATOM 1261 N TRP A 53 6.019 -0.743 -1.523 1.00 0.00 N ATOM 1262 CA TRP A 53 6.907 0.420 -1.850 1.00 0.00 C ATOM 1263 C TRP A 53 6.307 1.732 -1.321 1.00 0.00 C ATOM 1264 O TRP A 53 5.135 1.809 -0.992 1.00 0.00 O ATOM 1265 CB TRP A 53 7.087 0.421 -3.377 1.00 0.00 C ATOM 1266 CG TRP A 53 5.803 0.720 -4.085 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.261 1.948 -4.215 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.904 -0.199 -4.774 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.093 1.846 -4.945 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.829 0.545 -5.307 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.914 -1.593 -4.985 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.808 -0.062 -6.025 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.875 -2.208 -5.710 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.826 -1.444 -6.225 1.00 0.00 C ATOM 0 H TRP A 53 5.021 -0.536 -1.483 1.00 0.00 H new ATOM 0 HA TRP A 53 7.880 0.331 -1.366 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.837 1.162 -3.655 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.463 -0.550 -3.700 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.673 2.862 -3.814 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.498 2.639 -5.186 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.721 -2.191 -4.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.002 0.533 -6.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.890 -3.276 -5.868 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.030 -1.921 -6.777 1.00 0.00 H new ATOM 1285 N CYS A 54 7.119 2.756 -1.209 1.00 0.00 N ATOM 1286 CA CYS A 54 6.630 4.067 -0.671 1.00 0.00 C ATOM 1287 C CYS A 54 5.881 4.836 -1.746 1.00 0.00 C ATOM 1288 O CYS A 54 6.219 4.774 -2.918 1.00 0.00 O ATOM 1289 CB CYS A 54 7.890 4.833 -0.263 1.00 0.00 C ATOM 1290 SG CYS A 54 7.447 6.530 0.207 1.00 0.00 S ATOM 0 H CYS A 54 8.105 2.741 -1.468 1.00 0.00 H new ATOM 0 HA CYS A 54 5.944 3.929 0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.379 4.330 0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.602 4.848 -1.088 1.00 0.00 H new ATOM 1295 N VAL A 55 4.869 5.565 -1.362 1.00 0.00 N ATOM 1296 CA VAL A 55 4.081 6.346 -2.358 1.00 0.00 C ATOM 1297 C VAL A 55 3.682 7.703 -1.780 1.00 0.00 C ATOM 1298 O VAL A 55 3.791 7.933 -0.587 1.00 0.00 O ATOM 1299 CB VAL A 55 2.832 5.505 -2.628 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.250 4.125 -3.134 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.022 5.343 -1.336 1.00 0.00 C ATOM 0 H VAL A 55 4.552 5.654 -0.396 1.00 0.00 H new ATOM 0 HA VAL A 55 4.654 6.539 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 55 2.219 6.005 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.362 3.524 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.822 4.233 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.865 3.632 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.134 4.743 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.634 4.846 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.722 6.325 -0.969 1.00 0.00 H new ATOM 1311 N ASP A 56 3.208 8.594 -2.607 1.00 0.00 N ATOM 1312 CA ASP A 56 2.771 9.923 -2.113 1.00 0.00 C ATOM 1313 C ASP A 56 1.246 9.931 -2.016 1.00 0.00 C ATOM 1314 O ASP A 56 0.595 8.959 -2.333 1.00 0.00 O ATOM 1315 CB ASP A 56 3.270 10.940 -3.147 1.00 0.00 C ATOM 1316 CG ASP A 56 2.282 11.046 -4.309 1.00 0.00 C ATOM 1317 OD1 ASP A 56 1.917 10.022 -4.856 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.905 12.160 -4.635 1.00 0.00 O ATOM 0 H ASP A 56 3.105 8.453 -3.612 1.00 0.00 H new ATOM 0 HA ASP A 56 3.167 10.161 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.394 11.915 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.249 10.639 -3.520 1.00 0.00 H new ATOM 1323 N ARG A 57 0.689 11.023 -1.584 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.804 11.131 -1.442 1.00 0.00 C ATOM 1325 C ARG A 57 -1.549 10.584 -2.677 1.00 0.00 C ATOM 1326 O ARG A 57 -2.659 10.094 -2.566 1.00 0.00 O ATOM 1327 CB ARG A 57 -1.078 12.630 -1.267 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.690 13.386 -2.546 1.00 0.00 C ATOM 1329 CD ARG A 57 -0.360 14.842 -2.214 1.00 0.00 C ATOM 1330 NE ARG A 57 1.078 14.832 -1.820 1.00 0.00 N ATOM 1331 CZ ARG A 57 1.978 15.335 -2.625 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.441 14.623 -3.623 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.404 16.551 -2.429 1.00 0.00 N ATOM 0 H ARG A 57 1.203 11.862 -1.317 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.161 10.537 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.133 12.792 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.511 13.016 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.170 12.907 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.508 13.345 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.529 15.491 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.988 15.214 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 57 1.359 14.434 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.100 13.674 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.143 15.018 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.036 17.102 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.106 16.952 -3.051 1.00 0.00 H new ATOM 1347 N MET A 58 -0.964 10.668 -3.844 1.00 0.00 N ATOM 1348 CA MET A 58 -1.654 10.156 -5.068 1.00 0.00 C ATOM 1349 C MET A 58 -1.502 8.641 -5.174 1.00 0.00 C ATOM 1350 O MET A 58 -2.283 7.974 -5.828 1.00 0.00 O ATOM 1351 CB MET A 58 -0.955 10.836 -6.241 1.00 0.00 C ATOM 1352 CG MET A 58 -0.977 12.352 -6.047 1.00 0.00 C ATOM 1353 SD MET A 58 -2.497 13.025 -6.762 1.00 0.00 S ATOM 1354 CE MET A 58 -3.551 12.851 -5.298 1.00 0.00 C ATOM 0 H MET A 58 -0.039 11.068 -4.003 1.00 0.00 H new ATOM 0 HA MET A 58 -2.723 10.370 -5.047 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.074 10.485 -6.317 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.451 10.572 -7.175 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.922 12.595 -4.986 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.107 12.804 -6.523 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.403 12.214 -5.537 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.977 12.401 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.908 13.833 -4.988 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.516 8.092 -4.531 1.00 0.00 N ATOM 1365 CA GLY A 59 -0.318 6.620 -4.578 1.00 0.00 C ATOM 1366 C GLY A 59 0.767 6.246 -5.592 1.00 0.00 C ATOM 1367 O GLY A 59 0.903 5.084 -5.940 1.00 0.00 O ATOM 0 H GLY A 59 0.167 8.602 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.039 6.255 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.255 6.131 -4.845 1.00 0.00 H new ATOM 1371 N LYS A 60 1.554 7.192 -6.063 1.00 0.00 N ATOM 1372 CA LYS A 60 2.637 6.830 -7.034 1.00 0.00 C ATOM 1373 C LYS A 60 3.812 6.238 -6.246 1.00 0.00 C ATOM 1374 O LYS A 60 3.811 6.243 -5.040 1.00 0.00 O ATOM 1375 CB LYS A 60 3.021 8.130 -7.765 1.00 0.00 C ATOM 1376 CG LYS A 60 4.019 8.935 -6.930 1.00 0.00 C ATOM 1377 CD LYS A 60 4.146 10.357 -7.489 1.00 0.00 C ATOM 1378 CE LYS A 60 2.762 11.020 -7.592 1.00 0.00 C ATOM 1379 NZ LYS A 60 2.941 12.414 -7.082 1.00 0.00 N ATOM 0 H LYS A 60 1.493 8.181 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 60 2.325 6.085 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.456 7.894 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.128 8.727 -7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.690 8.972 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.992 8.444 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.794 10.951 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.616 10.327 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.405 11.023 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.024 10.479 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.361 12.549 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.942 12.573 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.644 13.092 -7.813 1.00 0.00 H new ATOM 1393 N SER A 61 4.799 5.714 -6.901 1.00 0.00 N ATOM 1394 CA SER A 61 5.939 5.101 -6.157 1.00 0.00 C ATOM 1395 C SER A 61 7.045 6.123 -5.887 1.00 0.00 C ATOM 1396 O SER A 61 7.683 6.628 -6.795 1.00 0.00 O ATOM 1397 CB SER A 61 6.451 3.975 -7.061 1.00 0.00 C ATOM 1398 OG SER A 61 5.345 3.286 -7.644 1.00 0.00 O ATOM 0 H SER A 61 4.873 5.680 -7.918 1.00 0.00 H new ATOM 0 HA SER A 61 5.625 4.733 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.090 4.385 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.061 3.281 -6.483 1.00 0.00 H new ATOM 0 HG SER A 61 4.870 2.783 -6.950 1.00 0.00 H new ATOM 1404 N LEU A 62 7.296 6.408 -4.640 1.00 0.00 N ATOM 1405 CA LEU A 62 8.385 7.366 -4.287 1.00 0.00 C ATOM 1406 C LEU A 62 9.694 6.579 -4.115 1.00 0.00 C ATOM 1407 O LEU A 62 9.663 5.368 -4.010 1.00 0.00 O ATOM 1408 CB LEU A 62 7.974 8.006 -2.956 1.00 0.00 C ATOM 1409 CG LEU A 62 6.736 8.892 -3.148 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.255 9.390 -1.786 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.086 10.101 -4.017 1.00 0.00 C ATOM 0 H LEU A 62 6.792 6.017 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 62 8.536 8.126 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.762 7.229 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.798 8.601 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 62 5.955 8.308 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.375 10.020 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.999 8.538 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.047 9.968 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.201 10.724 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.871 10.682 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.436 9.760 -4.991 1.00 0.00 H new ATOM 1423 N PRO A 63 10.797 7.284 -4.104 1.00 0.00 N ATOM 1424 CA PRO A 63 12.123 6.623 -3.945 1.00 0.00 C ATOM 1425 C PRO A 63 12.377 6.203 -2.487 1.00 0.00 C ATOM 1426 O PRO A 63 12.891 5.131 -2.222 1.00 0.00 O ATOM 1427 CB PRO A 63 13.112 7.709 -4.378 1.00 0.00 C ATOM 1428 CG PRO A 63 12.403 9.009 -4.156 1.00 0.00 C ATOM 1429 CD PRO A 63 10.918 8.742 -4.245 1.00 0.00 C ATOM 0 HA PRO A 63 12.205 5.705 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.031 7.658 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.393 7.589 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.660 9.423 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.705 9.742 -4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.373 9.263 -3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.510 9.084 -5.196 1.00 0.00 H new ATOM 1437 N GLY A 64 12.048 7.049 -1.549 1.00 0.00 N ATOM 1438 CA GLY A 64 12.291 6.729 -0.109 1.00 0.00 C ATOM 1439 C GLY A 64 11.579 5.436 0.309 1.00 0.00 C ATOM 1440 O GLY A 64 10.616 5.015 -0.303 1.00 0.00 O ATOM 0 H GLY A 64 11.617 7.958 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.362 6.629 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.942 7.554 0.512 1.00 0.00 H new ATOM 1444 N SER A 65 12.054 4.809 1.357 1.00 0.00 N ATOM 1445 CA SER A 65 11.422 3.540 1.842 1.00 0.00 C ATOM 1446 C SER A 65 10.098 3.851 2.563 1.00 0.00 C ATOM 1447 O SER A 65 10.019 4.799 3.318 1.00 0.00 O ATOM 1448 CB SER A 65 12.436 2.945 2.817 1.00 0.00 C ATOM 1449 OG SER A 65 13.758 3.143 2.317 1.00 0.00 O ATOM 0 H SER A 65 12.857 5.123 1.901 1.00 0.00 H new ATOM 0 HA SER A 65 11.187 2.854 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.333 3.414 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.244 1.881 2.952 1.00 0.00 H new ATOM 0 HG SER A 65 14.406 2.762 2.946 1.00 0.00 H new ATOM 1455 N PRO A 66 9.094 3.040 2.300 1.00 0.00 N ATOM 1456 CA PRO A 66 7.750 3.246 2.920 1.00 0.00 C ATOM 1457 C PRO A 66 7.747 2.937 4.423 1.00 0.00 C ATOM 1458 O PRO A 66 6.833 3.322 5.132 1.00 0.00 O ATOM 1459 CB PRO A 66 6.854 2.261 2.165 1.00 0.00 C ATOM 1460 CG PRO A 66 7.782 1.204 1.666 1.00 0.00 C ATOM 1461 CD PRO A 66 9.111 1.864 1.418 1.00 0.00 C ATOM 0 HA PRO A 66 7.421 4.282 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.091 1.840 2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.334 2.751 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.881 0.402 2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.398 0.755 0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.939 1.197 1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.225 2.151 0.373 1.00 0.00 H new ATOM 1469 N ASP A 67 8.742 2.252 4.915 1.00 0.00 N ATOM 1470 CA ASP A 67 8.766 1.920 6.374 1.00 0.00 C ATOM 1471 C ASP A 67 8.951 3.181 7.231 1.00 0.00 C ATOM 1472 O ASP A 67 8.811 3.135 8.438 1.00 0.00 O ATOM 1473 CB ASP A 67 9.954 0.964 6.556 1.00 0.00 C ATOM 1474 CG ASP A 67 11.268 1.715 6.349 1.00 0.00 C ATOM 1475 OD1 ASP A 67 11.714 2.360 7.275 1.00 0.00 O ATOM 1476 OD2 ASP A 67 11.810 1.631 5.265 1.00 0.00 O ATOM 0 H ASP A 67 9.537 1.908 4.376 1.00 0.00 H new ATOM 0 HA ASP A 67 7.826 1.470 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.929 0.527 7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.881 0.141 5.845 1.00 0.00 H new ATOM 1481 N GLY A 68 9.258 4.306 6.630 1.00 0.00 N ATOM 1482 CA GLY A 68 9.445 5.555 7.433 1.00 0.00 C ATOM 1483 C GLY A 68 10.902 6.014 7.352 1.00 0.00 C ATOM 1484 O GLY A 68 11.214 7.156 7.643 1.00 0.00 O ATOM 0 H GLY A 68 9.386 4.413 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.786 6.339 7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.169 5.374 8.472 1.00 0.00 H new ATOM 1488 N ASN A 69 11.798 5.146 6.954 1.00 0.00 N ATOM 1489 CA ASN A 69 13.232 5.549 6.849 1.00 0.00 C ATOM 1490 C ASN A 69 13.396 6.569 5.720 1.00 0.00 C ATOM 1491 O ASN A 69 14.237 7.445 5.780 1.00 0.00 O ATOM 1492 CB ASN A 69 13.991 4.258 6.535 1.00 0.00 C ATOM 1493 CG ASN A 69 15.423 4.588 6.109 1.00 0.00 C ATOM 1494 OD1 ASN A 69 15.732 4.591 4.931 1.00 0.00 O ATOM 1495 ND2 ASN A 69 16.320 4.866 7.016 1.00 0.00 N ATOM 0 H ASN A 69 11.599 4.179 6.698 1.00 0.00 H new ATOM 0 HA ASN A 69 13.605 6.016 7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.003 3.610 7.412 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.483 3.711 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 69 17.276 5.085 6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.064 4.864 8.003 1.00 0.00 H new ATOM 1502 N GLY A 70 12.581 6.480 4.709 1.00 0.00 N ATOM 1503 CA GLY A 70 12.658 7.459 3.589 1.00 0.00 C ATOM 1504 C GLY A 70 11.698 8.606 3.897 1.00 0.00 C ATOM 1505 O GLY A 70 10.742 8.834 3.176 1.00 0.00 O ATOM 0 H GLY A 70 11.859 5.766 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.676 7.833 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.391 6.981 2.646 1.00 0.00 H new ATOM 1509 N SER A 71 11.936 9.316 4.974 1.00 0.00 N ATOM 1510 CA SER A 71 11.032 10.444 5.363 1.00 0.00 C ATOM 1511 C SER A 71 10.867 11.437 4.207 1.00 0.00 C ATOM 1512 O SER A 71 9.818 12.035 4.046 1.00 0.00 O ATOM 1513 CB SER A 71 11.706 11.114 6.567 1.00 0.00 C ATOM 1514 OG SER A 71 12.340 10.121 7.383 1.00 0.00 O ATOM 0 H SER A 71 12.723 9.161 5.604 1.00 0.00 H new ATOM 0 HA SER A 71 10.031 10.090 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.442 11.841 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.966 11.660 7.152 1.00 0.00 H new ATOM 0 HG SER A 71 13.305 10.124 7.211 1.00 0.00 H new ATOM 1520 N SER A 72 11.877 11.610 3.393 1.00 0.00 N ATOM 1521 CA SER A 72 11.754 12.554 2.242 1.00 0.00 C ATOM 1522 C SER A 72 10.618 12.093 1.317 1.00 0.00 C ATOM 1523 O SER A 72 9.987 12.888 0.642 1.00 0.00 O ATOM 1524 CB SER A 72 13.104 12.510 1.512 1.00 0.00 C ATOM 1525 OG SER A 72 13.969 11.552 2.132 1.00 0.00 O ATOM 0 H SER A 72 12.779 11.140 3.475 1.00 0.00 H new ATOM 0 HA SER A 72 11.520 13.568 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.951 12.249 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.568 13.496 1.530 1.00 0.00 H new ATOM 0 HG SER A 72 14.386 11.952 2.924 1.00 0.00 H new ATOM 1531 N SER A 73 10.342 10.816 1.294 1.00 0.00 N ATOM 1532 CA SER A 73 9.243 10.297 0.435 1.00 0.00 C ATOM 1533 C SER A 73 8.016 9.970 1.295 1.00 0.00 C ATOM 1534 O SER A 73 6.900 10.300 0.948 1.00 0.00 O ATOM 1535 CB SER A 73 9.810 9.034 -0.213 1.00 0.00 C ATOM 1536 OG SER A 73 10.843 9.401 -1.129 1.00 0.00 O ATOM 0 H SER A 73 10.835 10.108 1.838 1.00 0.00 H new ATOM 0 HA SER A 73 8.919 11.021 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.205 8.365 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.021 8.492 -0.734 1.00 0.00 H new ATOM 0 HG SER A 73 11.671 9.575 -0.635 1.00 0.00 H new ATOM 1542 N CYS A 74 8.219 9.337 2.416 1.00 0.00 N ATOM 1543 CA CYS A 74 7.069 8.997 3.311 1.00 0.00 C ATOM 1544 C CYS A 74 7.513 9.089 4.775 1.00 0.00 C ATOM 1545 O CYS A 74 8.565 8.600 5.128 1.00 0.00 O ATOM 1546 CB CYS A 74 6.679 7.553 2.962 1.00 0.00 C ATOM 1547 SG CYS A 74 8.044 6.694 2.127 1.00 0.00 S ATOM 0 H CYS A 74 9.133 9.038 2.755 1.00 0.00 H new ATOM 0 HA CYS A 74 6.229 9.679 3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.408 7.016 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.799 7.555 2.319 1.00 0.00 H new ATOM 1552 N PRO A 75 6.695 9.714 5.587 1.00 0.00 N ATOM 1553 CA PRO A 75 7.021 9.867 7.015 1.00 0.00 C ATOM 1554 C PRO A 75 6.467 8.683 7.835 1.00 0.00 C ATOM 1555 O PRO A 75 7.083 7.634 7.910 1.00 0.00 O ATOM 1556 CB PRO A 75 6.333 11.185 7.375 1.00 0.00 C ATOM 1557 CG PRO A 75 5.211 11.349 6.382 1.00 0.00 C ATOM 1558 CD PRO A 75 5.413 10.347 5.266 1.00 0.00 C ATOM 0 HA PRO A 75 8.090 9.877 7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.951 11.160 8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.032 12.019 7.316 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.248 11.188 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.202 12.364 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.604 9.617 5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.441 10.835 4.292 1.00 0.00 H new ATOM 1566 N THR A 76 5.312 8.832 8.439 1.00 0.00 N ATOM 1567 CA THR A 76 4.747 7.710 9.247 1.00 0.00 C ATOM 1568 C THR A 76 3.213 7.786 9.301 1.00 0.00 C ATOM 1569 O THR A 76 2.579 8.398 8.458 1.00 0.00 O ATOM 1570 CB THR A 76 5.362 7.882 10.648 1.00 0.00 C ATOM 1571 OG1 THR A 76 4.978 6.780 11.462 1.00 0.00 O ATOM 1572 CG2 THR A 76 4.868 9.183 11.289 1.00 0.00 C ATOM 0 H THR A 76 4.741 9.677 8.407 1.00 0.00 H new ATOM 0 HA THR A 76 4.982 6.737 8.816 1.00 0.00 H new ATOM 0 HB THR A 76 6.448 7.923 10.560 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.368 6.882 12.355 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.311 9.292 12.279 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.159 10.029 10.666 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.782 9.155 11.378 1.00 0.00 H new ATOM 1580 N GLY A 77 2.626 7.159 10.284 1.00 0.00 N ATOM 1581 CA GLY A 77 1.141 7.170 10.423 1.00 0.00 C ATOM 1582 C GLY A 77 0.727 6.080 11.414 1.00 0.00 C ATOM 1583 O GLY A 77 -0.060 5.209 11.096 1.00 0.00 O ATOM 0 H GLY A 77 3.118 6.633 11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.803 8.145 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.671 6.998 9.455 1.00 0.00 H new ATOM 1587 N SER A 78 1.265 6.117 12.607 1.00 0.00 N ATOM 1588 CA SER A 78 0.925 5.079 13.630 1.00 0.00 C ATOM 1589 C SER A 78 -0.513 5.271 14.133 1.00 0.00 C ATOM 1590 O SER A 78 -0.748 5.686 15.258 1.00 0.00 O ATOM 1591 CB SER A 78 1.936 5.280 14.771 1.00 0.00 C ATOM 1592 OG SER A 78 3.056 6.031 14.303 1.00 0.00 O ATOM 0 H SER A 78 1.929 6.826 12.919 1.00 0.00 H new ATOM 0 HA SER A 78 0.980 4.071 13.220 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.460 5.800 15.602 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.268 4.313 15.149 1.00 0.00 H new ATOM 0 HG SER A 78 3.695 6.157 15.036 1.00 0.00 H new ATOM 1598 N SER A 79 -1.480 4.970 13.311 1.00 0.00 N ATOM 1599 CA SER A 79 -2.901 5.125 13.730 1.00 0.00 C ATOM 1600 C SER A 79 -3.756 4.038 13.066 1.00 0.00 C ATOM 1601 O SER A 79 -4.433 4.277 12.081 1.00 0.00 O ATOM 1602 CB SER A 79 -3.308 6.521 13.248 1.00 0.00 C ATOM 1603 OG SER A 79 -2.343 7.483 13.683 1.00 0.00 O ATOM 0 H SER A 79 -1.346 4.621 12.362 1.00 0.00 H new ATOM 0 HA SER A 79 -3.038 5.022 14.806 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.383 6.533 12.161 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.293 6.778 13.638 1.00 0.00 H new ATOM 0 HG SER A 79 -2.801 8.234 14.114 1.00 0.00 H new ATOM 1609 N GLY A 80 -3.712 2.841 13.591 1.00 0.00 N ATOM 1610 CA GLY A 80 -4.502 1.728 12.995 1.00 0.00 C ATOM 1611 C GLY A 80 -3.782 0.405 13.263 1.00 0.00 C ATOM 1612 O GLY A 80 -3.464 0.150 14.406 1.00 0.00 O ATOM 1613 OXT GLY A 80 -3.548 -0.321 12.322 1.00 0.00 O ATOM 0 H GLY A 80 -3.160 2.588 14.410 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.503 1.705 13.425 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.619 1.882 11.922 1.00 0.00 H new TER 1617 GLY A 80