USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 470 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 41 THR OG1 : rot 117:sc= 0.087 USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= 0.0125 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.455 K(o=-0.46,f=-1.6) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= -0.0107 (180deg=-0.246) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.4!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 25 ASN : amide:sc= -0.0581 K(o=-0.058,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.05 K(o=-2,f=-10!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.7 K(o=-0.7,f=-5.1!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.043 USER MOD Single : A 46 ASN : amide:sc= -0.75 K(o=-0.75,f=-5.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -0.233 (180deg=-0.984) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.114) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.828 F(o=-0.84,f=0.83) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ILE A 3 1.581 0.077 1.884 1.00 0.00 N ATOM 32 CA ILE A 3 2.673 0.660 1.112 1.00 0.00 C ATOM 33 C ILE A 3 3.997 -0.005 1.470 1.00 0.00 C ATOM 34 O ILE A 3 4.245 -0.333 2.631 1.00 0.00 O ATOM 35 CB ILE A 3 2.762 2.163 1.386 1.00 0.00 C ATOM 36 CG1 ILE A 3 3.519 2.846 0.244 1.00 0.00 C ATOM 37 CG2 ILE A 3 3.503 2.403 2.704 1.00 0.00 C ATOM 38 CD1 ILE A 3 2.607 2.961 -0.980 1.00 0.00 C ATOM 0 HA ILE A 3 2.473 0.496 0.053 1.00 0.00 H new ATOM 0 HB ILE A 3 1.756 2.577 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.852 3.836 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.412 2.274 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.565 3.474 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.964 1.918 3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.509 1.988 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.147 3.447 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.296 1.966 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.728 3.552 -0.724 1.00 0.00 H new ATOM 50 N GLU A 4 4.845 -0.203 0.466 1.00 0.00 N ATOM 51 CA GLU A 4 6.142 -0.832 0.686 1.00 0.00 C ATOM 52 C GLU A 4 7.101 0.138 1.370 1.00 0.00 C ATOM 53 O GLU A 4 6.959 1.354 1.250 1.00 0.00 O ATOM 54 CB GLU A 4 6.737 -1.282 -0.650 1.00 0.00 C ATOM 55 CG GLU A 4 7.019 -0.058 -1.523 1.00 0.00 C ATOM 56 CD GLU A 4 7.538 -0.499 -2.887 1.00 0.00 C ATOM 57 OE1 GLU A 4 7.631 -1.695 -3.105 1.00 0.00 O ATOM 58 OE2 GLU A 4 7.837 0.367 -3.693 1.00 0.00 O ATOM 0 H GLU A 4 4.659 0.061 -0.502 1.00 0.00 H new ATOM 0 HA GLU A 4 5.999 -1.699 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.658 -1.840 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.046 -1.954 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.109 0.530 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.752 0.585 -1.036 1.00 0.00 H new ATOM 65 N SER A 5 8.076 -0.411 2.087 1.00 0.00 N ATOM 66 CA SER A 5 9.054 0.415 2.787 1.00 0.00 C ATOM 67 C SER A 5 9.956 1.136 1.790 1.00 0.00 C ATOM 68 O SER A 5 10.288 0.596 0.735 1.00 0.00 O ATOM 69 CB SER A 5 9.906 -0.456 3.711 1.00 0.00 C ATOM 70 OG SER A 5 9.075 -1.038 4.706 1.00 0.00 O ATOM 0 H SER A 5 8.210 -1.416 2.199 1.00 0.00 H new ATOM 0 HA SER A 5 8.519 1.157 3.379 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.405 -1.236 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.686 0.145 4.178 1.00 0.00 H new ATOM 0 HG SER A 5 9.618 -1.598 5.299 1.00 0.00 H new ATOM 76 N HIS A 6 10.347 2.360 2.132 1.00 0.00 N ATOM 77 CA HIS A 6 11.210 3.147 1.259 1.00 0.00 C ATOM 78 C HIS A 6 12.588 2.501 1.136 1.00 0.00 C ATOM 79 O HIS A 6 13.301 2.722 0.157 1.00 0.00 O ATOM 80 CB HIS A 6 11.357 4.565 1.812 1.00 0.00 C ATOM 81 CG HIS A 6 12.083 4.518 3.128 1.00 0.00 C ATOM 82 ND1 HIS A 6 13.467 4.490 3.208 1.00 0.00 N ATOM 83 CD2 HIS A 6 11.632 4.492 4.424 1.00 0.00 C ATOM 84 CE1 HIS A 6 13.797 4.449 4.512 1.00 0.00 C ATOM 85 NE2 HIS A 6 12.716 4.449 5.296 1.00 0.00 N ATOM 0 H HIS A 6 10.082 2.825 3.000 1.00 0.00 H new ATOM 0 HA HIS A 6 10.753 3.187 0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 6 11.905 5.188 1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 6 10.375 5.019 1.943 1.00 0.00 H new ATOM 0 HD2 HIS A 6 10.594 4.503 4.722 1.00 0.00 H new ATOM 0 HE1 HIS A 6 14.812 4.420 4.880 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.690 4.423 6.315 1.00 0.00 H new ATOM 94 N GLN A 7 12.957 1.704 2.134 1.00 0.00 N ATOM 95 CA GLN A 7 14.252 1.034 2.123 1.00 0.00 C ATOM 96 C GLN A 7 14.175 -0.271 1.335 1.00 0.00 C ATOM 97 O GLN A 7 13.323 -1.118 1.602 1.00 0.00 O ATOM 98 CB GLN A 7 14.700 0.741 3.556 1.00 0.00 C ATOM 99 CG GLN A 7 16.080 0.080 3.536 1.00 0.00 C ATOM 100 CD GLN A 7 16.582 -0.121 4.961 1.00 0.00 C ATOM 101 OE1 GLN A 7 15.785 -0.305 5.881 1.00 0.00 O ATOM 102 NE2 GLN A 7 17.865 -0.097 5.201 1.00 0.00 N ATOM 0 H GLN A 7 12.383 1.508 2.954 1.00 0.00 H new ATOM 0 HA GLN A 7 14.976 1.692 1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.736 1.665 4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 7 13.979 0.087 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.025 -0.880 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.782 0.701 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.524 0.056 4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.209 -0.231 6.152 1.00 0.00 H new ATOM 111 N VAL A 8 15.070 -0.424 0.365 1.00 0.00 N ATOM 112 CA VAL A 8 15.094 -1.630 -0.456 1.00 0.00 C ATOM 113 C VAL A 8 16.530 -2.075 -0.711 1.00 0.00 C ATOM 114 O VAL A 8 17.436 -1.250 -0.821 1.00 0.00 O ATOM 115 CB VAL A 8 14.393 -1.368 -1.790 1.00 0.00 C ATOM 116 CG1 VAL A 8 15.135 -0.267 -2.550 1.00 0.00 C ATOM 117 CG2 VAL A 8 14.394 -2.651 -2.625 1.00 0.00 C ATOM 0 H VAL A 8 15.783 0.266 0.129 1.00 0.00 H new ATOM 0 HA VAL A 8 14.570 -2.422 0.079 1.00 0.00 H new ATOM 0 HB VAL A 8 13.366 -1.053 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.635 -0.081 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.137 0.647 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.162 -0.582 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.895 -2.466 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.422 -2.964 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.866 -3.437 -2.085 1.00 0.00 H new ATOM 127 N GLU A 9 16.730 -3.386 -0.804 1.00 0.00 N ATOM 128 CA GLU A 9 18.061 -3.931 -1.046 1.00 0.00 C ATOM 129 C GLU A 9 17.996 -5.080 -2.048 1.00 0.00 C ATOM 130 O GLU A 9 16.931 -5.649 -2.286 1.00 0.00 O ATOM 131 CB GLU A 9 18.674 -4.427 0.267 1.00 0.00 C ATOM 132 CG GLU A 9 17.570 -4.942 1.195 1.00 0.00 C ATOM 133 CD GLU A 9 16.706 -5.966 0.468 1.00 0.00 C ATOM 134 OE1 GLU A 9 17.268 -6.885 -0.106 1.00 0.00 O ATOM 135 OE2 GLU A 9 15.496 -5.817 0.494 1.00 0.00 O ATOM 0 H GLU A 9 15.993 -4.086 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 9 18.686 -3.139 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 9 19.392 -5.222 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.221 -3.618 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.013 -5.394 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.953 -4.110 1.534 1.00 0.00 H new ATOM 142 N LYS A 10 19.143 -5.415 -2.631 1.00 0.00 N ATOM 143 CA LYS A 10 19.205 -6.498 -3.607 1.00 0.00 C ATOM 144 C LYS A 10 20.458 -7.341 -3.394 1.00 0.00 C ATOM 145 O LYS A 10 21.340 -6.975 -2.617 1.00 0.00 O ATOM 146 CB LYS A 10 19.209 -5.925 -5.026 1.00 0.00 C ATOM 147 CG LYS A 10 20.285 -4.843 -5.139 1.00 0.00 C ATOM 148 CD LYS A 10 19.620 -3.477 -5.315 1.00 0.00 C ATOM 149 CE LYS A 10 20.584 -2.378 -4.864 1.00 0.00 C ATOM 150 NZ LYS A 10 20.471 -2.193 -3.389 1.00 0.00 N ATOM 0 H LYS A 10 20.035 -4.957 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 10 18.328 -7.131 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 10 19.399 -6.718 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.231 -5.506 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 10 20.910 -4.842 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 10 20.939 -5.053 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.344 -3.327 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.700 -3.431 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 10 21.607 -2.645 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.354 -1.444 -5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.126 -1.446 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 19.497 -1.920 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 20.711 -3.083 -2.908 1.00 0.00 H new ATOM 164 N ARG A 11 20.529 -8.472 -4.089 1.00 0.00 N ATOM 165 CA ARG A 11 21.679 -9.361 -3.968 1.00 0.00 C ATOM 166 C ARG A 11 22.123 -9.853 -5.343 1.00 0.00 C ATOM 167 O ARG A 11 22.077 -11.046 -5.635 1.00 0.00 O ATOM 168 CB ARG A 11 21.368 -10.566 -3.053 1.00 0.00 C ATOM 169 CG ARG A 11 19.882 -10.974 -3.115 1.00 0.00 C ATOM 170 CD ARG A 11 19.596 -11.732 -4.414 1.00 0.00 C ATOM 171 NE ARG A 11 19.305 -10.799 -5.500 1.00 0.00 N ATOM 172 CZ ARG A 11 18.104 -10.233 -5.637 1.00 0.00 C ATOM 173 NH1 ARG A 11 17.138 -10.494 -4.793 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.890 -9.409 -6.627 1.00 0.00 N ATOM 0 H ARG A 11 19.810 -8.793 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 11 22.489 -8.790 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 11 21.988 -11.413 -3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.633 -10.318 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 11 19.633 -11.600 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 11 19.251 -10.087 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.455 -12.349 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 11 18.751 -12.406 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 11 20.039 -10.574 -6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.298 -11.137 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.225 -10.054 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.638 -9.202 -7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.975 -8.972 -6.738 1.00 0.00 H new ATOM 188 N LYS A 12 22.559 -8.921 -6.184 1.00 0.00 N ATOM 189 CA LYS A 12 23.013 -9.269 -7.526 1.00 0.00 C ATOM 190 C LYS A 12 24.434 -8.764 -7.758 1.00 0.00 C ATOM 191 O LYS A 12 24.846 -7.773 -7.154 1.00 0.00 O ATOM 192 CB LYS A 12 22.075 -8.656 -8.569 1.00 0.00 C ATOM 193 CG LYS A 12 22.159 -7.130 -8.498 1.00 0.00 C ATOM 194 CD LYS A 12 21.156 -6.517 -9.477 1.00 0.00 C ATOM 195 CE LYS A 12 21.189 -4.992 -9.356 1.00 0.00 C ATOM 196 NZ LYS A 12 22.493 -4.480 -9.865 1.00 0.00 N ATOM 0 H LYS A 12 22.608 -7.926 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 12 23.005 -10.355 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 12 22.349 -9.000 -9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 12 21.051 -8.983 -8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.947 -6.790 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 12 23.169 -6.799 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.398 -6.817 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.153 -6.887 -9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.368 -4.554 -9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.051 -4.696 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.421 -3.457 -10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.236 -4.660 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.734 -4.965 -10.753 1.00 0.00 H new ATOM 210 N CYS A 13 25.160 -9.460 -8.643 1.00 0.00 N ATOM 211 CA CYS A 13 26.547 -9.114 -8.984 1.00 0.00 C ATOM 212 C CYS A 13 27.294 -8.503 -7.800 1.00 0.00 C ATOM 213 O CYS A 13 27.614 -7.314 -7.802 1.00 0.00 O ATOM 214 CB CYS A 13 26.556 -8.125 -10.151 1.00 0.00 C ATOM 215 SG CYS A 13 28.133 -8.241 -11.031 1.00 0.00 S ATOM 0 H CYS A 13 24.804 -10.276 -9.141 1.00 0.00 H new ATOM 0 HA CYS A 13 27.057 -10.036 -9.262 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.732 -8.341 -10.831 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.407 -7.110 -9.782 1.00 0.00 H new ATOM 0 HG CYS A 13 28.139 -7.402 -12.024 1.00 0.00 H new ATOM 220 N ASN A 14 27.561 -9.322 -6.788 1.00 0.00 N ATOM 221 CA ASN A 14 28.264 -8.851 -5.601 1.00 0.00 C ATOM 222 C ASN A 14 29.633 -9.513 -5.480 1.00 0.00 C ATOM 223 O ASN A 14 30.166 -9.658 -4.379 1.00 0.00 O ATOM 224 CB ASN A 14 27.436 -9.157 -4.351 1.00 0.00 C ATOM 225 CG ASN A 14 27.133 -10.650 -4.278 1.00 0.00 C ATOM 226 OD1 ASN A 14 28.034 -11.476 -4.425 1.00 0.00 O ATOM 227 ND2 ASN A 14 25.909 -11.047 -4.060 1.00 0.00 N ATOM 0 H ASN A 14 27.303 -10.309 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 14 28.406 -7.774 -5.693 1.00 0.00 H new ATOM 0 HB2 ASN A 14 27.979 -8.844 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 14 26.506 -8.589 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.697 -12.044 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.164 -10.361 -3.939 1.00 0.00 H new ATOM 234 N THR A 15 30.201 -9.912 -6.614 1.00 0.00 N ATOM 235 CA THR A 15 31.511 -10.554 -6.612 1.00 0.00 C ATOM 236 C THR A 15 32.617 -9.510 -6.741 1.00 0.00 C ATOM 237 O THR A 15 32.346 -8.309 -6.779 1.00 0.00 O ATOM 238 CB THR A 15 31.606 -11.557 -7.766 1.00 0.00 C ATOM 239 OG1 THR A 15 32.808 -12.305 -7.641 1.00 0.00 O ATOM 240 CG2 THR A 15 31.604 -10.814 -9.103 1.00 0.00 C ATOM 0 H THR A 15 29.780 -9.804 -7.537 1.00 0.00 H new ATOM 0 HA THR A 15 31.636 -11.082 -5.667 1.00 0.00 H new ATOM 0 HB THR A 15 30.749 -12.230 -7.730 1.00 0.00 H new ATOM 0 HG1 THR A 15 32.871 -12.949 -8.377 1.00 0.00 H new ATOM 0 HG21 THR A 15 31.672 -11.533 -9.919 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.682 -10.241 -9.200 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.457 -10.137 -9.144 1.00 0.00 H new ATOM 306 N GLN A 21 34.060 -3.240 -12.231 1.00 0.00 N ATOM 307 CA GLN A 21 33.202 -2.489 -13.140 1.00 0.00 C ATOM 308 C GLN A 21 32.981 -1.066 -12.629 1.00 0.00 C ATOM 309 O GLN A 21 32.777 -0.143 -13.418 1.00 0.00 O ATOM 310 CB GLN A 21 31.856 -3.207 -13.311 1.00 0.00 C ATOM 311 CG GLN A 21 30.786 -2.554 -12.429 1.00 0.00 C ATOM 312 CD GLN A 21 29.541 -3.433 -12.391 1.00 0.00 C ATOM 313 OE1 GLN A 21 29.404 -4.353 -13.196 1.00 0.00 O ATOM 314 NE2 GLN A 21 28.619 -3.203 -11.496 1.00 0.00 N ATOM 0 HA GLN A 21 33.698 -2.430 -14.109 1.00 0.00 H new ATOM 0 HB2 GLN A 21 31.547 -3.170 -14.356 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.962 -4.259 -13.047 1.00 0.00 H new ATOM 0 HG2 GLN A 21 31.172 -2.410 -11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 21 30.534 -1.567 -12.817 1.00 0.00 H new ATOM 0 HE21 GLN A 21 28.734 -2.440 -10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.783 -3.787 -11.463 1.00 0.00 H new ATOM 323 N ARG A 22 33.021 -0.889 -11.310 1.00 0.00 N ATOM 324 CA ARG A 22 32.821 0.437 -10.733 1.00 0.00 C ATOM 325 C ARG A 22 34.084 1.284 -10.885 1.00 0.00 C ATOM 326 O ARG A 22 34.021 2.513 -10.889 1.00 0.00 O ATOM 327 CB ARG A 22 32.403 0.322 -9.254 1.00 0.00 C ATOM 328 CG ARG A 22 33.619 0.382 -8.316 1.00 0.00 C ATOM 329 CD ARG A 22 33.889 1.833 -7.906 1.00 0.00 C ATOM 330 NE ARG A 22 33.672 2.001 -6.473 1.00 0.00 N ATOM 331 CZ ARG A 22 34.580 1.614 -5.574 1.00 0.00 C ATOM 332 NH1 ARG A 22 35.706 1.065 -5.953 1.00 0.00 N ATOM 333 NH2 ARG A 22 34.342 1.785 -4.303 1.00 0.00 N ATOM 0 H ARG A 22 33.187 -1.633 -10.632 1.00 0.00 H new ATOM 0 HA ARG A 22 32.016 0.935 -11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.712 1.128 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.868 -0.615 -9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 22 33.437 -0.227 -7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 22 34.495 -0.033 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 22 34.913 2.106 -8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.233 2.503 -8.461 1.00 0.00 H new ATOM 0 HE ARG A 22 32.803 2.426 -6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.898 0.928 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.391 0.774 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.466 2.212 -4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.032 1.492 -3.611 1.00 0.00 H new ATOM 347 N LEU A 23 35.229 0.617 -11.013 1.00 0.00 N ATOM 348 CA LEU A 23 36.497 1.320 -11.169 1.00 0.00 C ATOM 349 C LEU A 23 36.483 2.157 -12.444 1.00 0.00 C ATOM 350 O LEU A 23 36.999 3.274 -12.472 1.00 0.00 O ATOM 351 CB LEU A 23 37.652 0.315 -11.223 1.00 0.00 C ATOM 352 CG LEU A 23 38.987 1.059 -11.324 1.00 0.00 C ATOM 353 CD1 LEU A 23 39.237 1.849 -10.037 1.00 0.00 C ATOM 354 CD2 LEU A 23 40.117 0.045 -11.525 1.00 0.00 C ATOM 0 H LEU A 23 35.304 -0.400 -11.012 1.00 0.00 H new ATOM 0 HA LEU A 23 36.637 1.980 -10.313 1.00 0.00 H new ATOM 0 HB2 LEU A 23 37.642 -0.312 -10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 23 37.529 -0.347 -12.080 1.00 0.00 H new ATOM 0 HG LEU A 23 38.955 1.747 -12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 23 40.188 2.377 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 23 38.433 2.570 -9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 23 39.269 1.164 -9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 23 41.069 0.571 -11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 23 40.145 -0.641 -10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 23 39.942 -0.517 -12.442 1.00 0.00 H new ATOM 366 N ALA A 24 35.881 1.610 -13.495 1.00 0.00 N ATOM 367 CA ALA A 24 35.795 2.318 -14.767 1.00 0.00 C ATOM 368 C ALA A 24 34.857 3.513 -14.644 1.00 0.00 C ATOM 369 O ALA A 24 35.120 4.583 -15.192 1.00 0.00 O ATOM 370 CB ALA A 24 35.285 1.374 -15.858 1.00 0.00 C ATOM 0 H ALA A 24 35.449 0.686 -13.492 1.00 0.00 H new ATOM 0 HA ALA A 24 36.790 2.674 -15.035 1.00 0.00 H new ATOM 0 HB1 ALA A 24 35.224 1.911 -16.804 1.00 0.00 H new ATOM 0 HB2 ALA A 24 35.971 0.533 -15.962 1.00 0.00 H new ATOM 0 HB3 ALA A 24 34.296 1.004 -15.586 1.00 0.00 H new ATOM 376 N ASN A 25 33.762 3.321 -13.915 1.00 0.00 N ATOM 377 CA ASN A 25 32.789 4.388 -13.718 1.00 0.00 C ATOM 378 C ASN A 25 33.411 5.537 -12.931 1.00 0.00 C ATOM 379 O ASN A 25 33.146 6.707 -13.205 1.00 0.00 O ATOM 380 CB ASN A 25 31.569 3.852 -12.967 1.00 0.00 C ATOM 381 CG ASN A 25 30.755 2.940 -13.880 1.00 0.00 C ATOM 382 OD1 ASN A 25 30.878 3.014 -15.102 1.00 0.00 O ATOM 383 ND2 ASN A 25 29.926 2.080 -13.355 1.00 0.00 N ATOM 0 H ASN A 25 33.528 2.442 -13.454 1.00 0.00 H new ATOM 0 HA ASN A 25 32.478 4.757 -14.695 1.00 0.00 H new ATOM 0 HB2 ASN A 25 31.889 3.303 -12.082 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.951 4.681 -12.622 1.00 0.00 H new ATOM 0 HD21 ASN A 25 29.378 1.467 -13.958 1.00 0.00 H new ATOM 0 HD22 ASN A 25 29.826 2.021 -12.342 1.00 0.00 H new ATOM 390 N PHE A 26 34.240 5.192 -11.951 1.00 0.00 N ATOM 391 CA PHE A 26 34.898 6.199 -11.127 1.00 0.00 C ATOM 392 C PHE A 26 35.858 7.040 -11.965 1.00 0.00 C ATOM 393 O PHE A 26 36.082 8.215 -11.675 1.00 0.00 O ATOM 394 CB PHE A 26 35.667 5.523 -9.990 1.00 0.00 C ATOM 395 CG PHE A 26 36.248 6.577 -9.078 1.00 0.00 C ATOM 396 CD1 PHE A 26 35.447 7.173 -8.097 1.00 0.00 C ATOM 397 CD2 PHE A 26 37.588 6.959 -9.214 1.00 0.00 C ATOM 398 CE1 PHE A 26 35.985 8.150 -7.252 1.00 0.00 C ATOM 399 CE2 PHE A 26 38.127 7.936 -8.369 1.00 0.00 C ATOM 400 CZ PHE A 26 37.325 8.532 -7.387 1.00 0.00 C ATOM 0 H PHE A 26 34.471 4.228 -11.709 1.00 0.00 H new ATOM 0 HA PHE A 26 34.133 6.853 -10.710 1.00 0.00 H new ATOM 0 HB2 PHE A 26 35.003 4.866 -9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 26 36.463 4.899 -10.396 1.00 0.00 H new ATOM 0 HD1 PHE A 26 34.413 6.879 -7.992 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.206 6.500 -9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 26 35.366 8.610 -6.495 1.00 0.00 H new ATOM 0 HE2 PHE A 26 39.161 8.230 -8.474 1.00 0.00 H new ATOM 0 HZ PHE A 26 37.740 9.286 -6.734 1.00 0.00 H new ATOM 410 N LEU A 27 36.426 6.430 -13.000 1.00 0.00 N ATOM 411 CA LEU A 27 37.364 7.132 -13.869 1.00 0.00 C ATOM 412 C LEU A 27 36.675 8.325 -14.532 1.00 0.00 C ATOM 413 O LEU A 27 37.259 9.402 -14.649 1.00 0.00 O ATOM 414 CB LEU A 27 37.904 6.150 -14.929 1.00 0.00 C ATOM 415 CG LEU A 27 38.954 6.794 -15.866 1.00 0.00 C ATOM 416 CD1 LEU A 27 38.264 7.567 -17.002 1.00 0.00 C ATOM 417 CD2 LEU A 27 39.892 7.731 -15.089 1.00 0.00 C ATOM 0 H LEU A 27 36.255 5.458 -13.257 1.00 0.00 H new ATOM 0 HA LEU A 27 38.199 7.511 -13.280 1.00 0.00 H new ATOM 0 HB2 LEU A 27 38.350 5.291 -14.428 1.00 0.00 H new ATOM 0 HB3 LEU A 27 37.073 5.775 -15.526 1.00 0.00 H new ATOM 0 HG LEU A 27 39.551 5.990 -16.296 1.00 0.00 H new ATOM 0 HD11 LEU A 27 39.019 8.012 -17.650 1.00 0.00 H new ATOM 0 HD12 LEU A 27 37.644 6.884 -17.583 1.00 0.00 H new ATOM 0 HD13 LEU A 27 37.639 8.354 -16.579 1.00 0.00 H new ATOM 0 HD21 LEU A 27 40.618 8.168 -15.774 1.00 0.00 H new ATOM 0 HD22 LEU A 27 39.309 8.525 -14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 27 40.415 7.165 -14.318 1.00 0.00 H new ATOM 429 N VAL A 28 35.429 8.134 -14.952 1.00 0.00 N ATOM 430 CA VAL A 28 34.683 9.216 -15.589 1.00 0.00 C ATOM 431 C VAL A 28 33.930 10.038 -14.544 1.00 0.00 C ATOM 432 O VAL A 28 33.662 11.221 -14.752 1.00 0.00 O ATOM 433 CB VAL A 28 33.701 8.653 -16.620 1.00 0.00 C ATOM 434 CG1 VAL A 28 34.469 7.847 -17.669 1.00 0.00 C ATOM 435 CG2 VAL A 28 32.685 7.743 -15.924 1.00 0.00 C ATOM 0 H VAL A 28 34.919 7.255 -14.866 1.00 0.00 H new ATOM 0 HA VAL A 28 35.394 9.867 -16.098 1.00 0.00 H new ATOM 0 HB VAL A 28 33.176 9.477 -17.103 1.00 0.00 H new ATOM 0 HG11 VAL A 28 33.770 7.446 -18.403 1.00 0.00 H new ATOM 0 HG12 VAL A 28 35.189 8.494 -18.169 1.00 0.00 H new ATOM 0 HG13 VAL A 28 34.996 7.026 -17.183 1.00 0.00 H new ATOM 0 HG21 VAL A 28 31.988 7.345 -16.661 1.00 0.00 H new ATOM 0 HG22 VAL A 28 33.208 6.920 -15.437 1.00 0.00 H new ATOM 0 HG23 VAL A 28 32.135 8.316 -15.177 1.00 0.00 H new ATOM 445 N HIS A 29 33.601 9.412 -13.419 1.00 0.00 N ATOM 446 CA HIS A 29 32.892 10.109 -12.351 1.00 0.00 C ATOM 447 C HIS A 29 33.769 11.213 -11.770 1.00 0.00 C ATOM 448 O HIS A 29 33.294 12.307 -11.466 1.00 0.00 O ATOM 449 CB HIS A 29 32.512 9.125 -11.244 1.00 0.00 C ATOM 450 CG HIS A 29 31.585 9.798 -10.270 1.00 0.00 C ATOM 451 ND1 HIS A 29 30.269 10.096 -10.587 1.00 0.00 N ATOM 452 CD2 HIS A 29 31.769 10.239 -8.983 1.00 0.00 C ATOM 453 CE1 HIS A 29 29.717 10.689 -9.513 1.00 0.00 C ATOM 454 NE2 HIS A 29 30.588 10.801 -8.507 1.00 0.00 N ATOM 0 H HIS A 29 33.811 8.433 -13.224 1.00 0.00 H new ATOM 0 HA HIS A 29 31.987 10.552 -12.767 1.00 0.00 H new ATOM 0 HB2 HIS A 29 32.030 8.247 -11.673 1.00 0.00 H new ATOM 0 HB3 HIS A 29 33.407 8.777 -10.729 1.00 0.00 H new ATOM 0 HD2 HIS A 29 32.690 10.162 -8.425 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.694 11.033 -9.470 1.00 0.00 H new ATOM 0 HE2 HIS A 29 30.423 11.210 -7.587 1.00 0.00 H new ATOM 463 N SER A 30 35.054 10.911 -11.620 1.00 0.00 N ATOM 464 CA SER A 30 36.000 11.878 -11.072 1.00 0.00 C ATOM 465 C SER A 30 36.525 12.809 -12.167 1.00 0.00 C ATOM 466 O SER A 30 37.079 13.869 -11.878 1.00 0.00 O ATOM 467 CB SER A 30 37.171 11.149 -10.415 1.00 0.00 C ATOM 468 OG SER A 30 38.011 12.096 -9.769 1.00 0.00 O ATOM 0 H SER A 30 35.463 10.010 -11.868 1.00 0.00 H new ATOM 0 HA SER A 30 35.479 12.478 -10.326 1.00 0.00 H new ATOM 0 HB2 SER A 30 36.802 10.421 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 30 37.737 10.596 -11.165 1.00 0.00 H new ATOM 0 HG SER A 30 38.762 11.631 -9.345 1.00 0.00 H new ATOM 474 N SER A 31 36.355 12.399 -13.423 1.00 0.00 N ATOM 475 CA SER A 31 36.823 13.195 -14.554 1.00 0.00 C ATOM 476 C SER A 31 36.332 14.637 -14.462 1.00 0.00 C ATOM 477 O SER A 31 36.932 15.539 -15.044 1.00 0.00 O ATOM 478 CB SER A 31 36.337 12.573 -15.863 1.00 0.00 C ATOM 479 OG SER A 31 36.850 13.321 -16.957 1.00 0.00 O ATOM 0 H SER A 31 35.899 11.524 -13.681 1.00 0.00 H new ATOM 0 HA SER A 31 37.913 13.203 -14.530 1.00 0.00 H new ATOM 0 HB2 SER A 31 36.666 11.536 -15.930 1.00 0.00 H new ATOM 0 HB3 SER A 31 35.247 12.564 -15.892 1.00 0.00 H new ATOM 0 HG SER A 31 36.541 12.924 -17.798 1.00 0.00 H new ATOM 485 N ASN A 32 35.244 14.856 -13.734 1.00 0.00 N ATOM 486 CA ASN A 32 34.705 16.204 -13.591 1.00 0.00 C ATOM 487 C ASN A 32 35.753 17.134 -12.991 1.00 0.00 C ATOM 488 O ASN A 32 35.906 18.277 -13.422 1.00 0.00 O ATOM 489 CB ASN A 32 33.466 16.182 -12.696 1.00 0.00 C ATOM 490 CG ASN A 32 33.829 15.642 -11.317 1.00 0.00 C ATOM 491 OD1 ASN A 32 34.396 14.556 -11.204 1.00 0.00 O ATOM 492 ND2 ASN A 32 33.535 16.342 -10.255 1.00 0.00 N ATOM 0 H ASN A 32 34.724 14.131 -13.240 1.00 0.00 H new ATOM 0 HA ASN A 32 34.429 16.572 -14.579 1.00 0.00 H new ATOM 0 HB2 ASN A 32 33.055 17.187 -12.605 1.00 0.00 H new ATOM 0 HB3 ASN A 32 32.692 15.561 -13.147 1.00 0.00 H new ATOM 0 HD21 ASN A 32 33.775 15.989 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 32 33.065 17.242 -10.351 1.00 0.00 H new ATOM 499 N ASN A 33 36.473 16.633 -11.995 1.00 0.00 N ATOM 500 CA ASN A 33 37.507 17.430 -11.345 1.00 0.00 C ATOM 501 C ASN A 33 38.627 17.740 -12.334 1.00 0.00 C ATOM 502 O ASN A 33 39.162 18.848 -12.361 1.00 0.00 O ATOM 503 CB ASN A 33 38.074 16.678 -10.139 1.00 0.00 C ATOM 504 CG ASN A 33 37.039 16.633 -9.020 1.00 0.00 C ATOM 505 OD1 ASN A 33 36.586 15.555 -8.635 1.00 0.00 O ATOM 506 ND2 ASN A 33 36.635 17.747 -8.473 1.00 0.00 N ATOM 0 H ASN A 33 36.363 15.690 -11.623 1.00 0.00 H new ATOM 0 HA ASN A 33 37.064 18.365 -11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 33 38.352 15.665 -10.429 1.00 0.00 H new ATOM 0 HB3 ASN A 33 38.981 17.169 -9.787 1.00 0.00 H new ATOM 0 HD21 ASN A 33 35.942 17.726 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 33 37.012 18.639 -8.794 1.00 0.00 H new ATOM 513 N PHE A 34 38.970 16.745 -13.145 1.00 0.00 N ATOM 514 CA PHE A 34 40.026 16.905 -14.140 1.00 0.00 C ATOM 515 C PHE A 34 39.768 18.140 -14.994 1.00 0.00 C ATOM 516 O PHE A 34 40.704 18.813 -15.427 1.00 0.00 O ATOM 517 CB PHE A 34 40.098 15.666 -15.035 1.00 0.00 C ATOM 518 CG PHE A 34 41.226 15.826 -16.026 1.00 0.00 C ATOM 519 CD1 PHE A 34 42.546 15.576 -15.632 1.00 0.00 C ATOM 520 CD2 PHE A 34 40.951 16.224 -17.339 1.00 0.00 C ATOM 521 CE1 PHE A 34 43.590 15.723 -16.552 1.00 0.00 C ATOM 522 CE2 PHE A 34 41.995 16.372 -18.259 1.00 0.00 C ATOM 523 CZ PHE A 34 43.315 16.121 -17.866 1.00 0.00 C ATOM 0 H PHE A 34 38.535 15.823 -13.134 1.00 0.00 H new ATOM 0 HA PHE A 34 40.976 17.027 -13.619 1.00 0.00 H new ATOM 0 HB2 PHE A 34 40.257 14.775 -14.428 1.00 0.00 H new ATOM 0 HB3 PHE A 34 39.154 15.529 -15.562 1.00 0.00 H new ATOM 0 HD1 PHE A 34 42.758 15.270 -14.618 1.00 0.00 H new ATOM 0 HD2 PHE A 34 39.933 16.417 -17.642 1.00 0.00 H new ATOM 0 HE1 PHE A 34 44.608 15.529 -16.248 1.00 0.00 H new ATOM 0 HE2 PHE A 34 41.782 16.680 -19.272 1.00 0.00 H new ATOM 0 HZ PHE A 34 44.121 16.234 -18.576 1.00 0.00 H new ATOM 533 N GLY A 35 38.495 18.439 -15.230 1.00 0.00 N ATOM 534 CA GLY A 35 38.134 19.603 -16.029 1.00 0.00 C ATOM 535 C GLY A 35 38.591 20.887 -15.346 1.00 0.00 C ATOM 536 O GLY A 35 39.367 21.656 -15.909 1.00 0.00 O ATOM 0 H GLY A 35 37.703 17.897 -14.883 1.00 0.00 H new ATOM 0 HA2 GLY A 35 38.590 19.528 -17.016 1.00 0.00 H new ATOM 0 HA3 GLY A 35 37.054 19.628 -16.177 1.00 0.00 H new ATOM 540 N ALA A 36 38.109 21.115 -14.130 1.00 0.00 N ATOM 541 CA ALA A 36 38.485 22.313 -13.387 1.00 0.00 C ATOM 542 C ALA A 36 39.981 22.311 -13.075 1.00 0.00 C ATOM 543 O ALA A 36 40.575 23.362 -12.838 1.00 0.00 O ATOM 544 CB ALA A 36 37.691 22.386 -12.081 1.00 0.00 C ATOM 0 H ALA A 36 37.464 20.494 -13.641 1.00 0.00 H new ATOM 0 HA ALA A 36 38.258 23.183 -14.003 1.00 0.00 H new ATOM 0 HB1 ALA A 36 37.977 23.283 -11.531 1.00 0.00 H new ATOM 0 HB2 ALA A 36 36.625 22.422 -12.305 1.00 0.00 H new ATOM 0 HB3 ALA A 36 37.905 21.505 -11.475 1.00 0.00 H new ATOM 550 N ILE A 37 40.581 21.123 -13.069 1.00 0.00 N ATOM 551 CA ILE A 37 42.006 20.995 -12.777 1.00 0.00 C ATOM 552 C ILE A 37 42.858 21.627 -13.876 1.00 0.00 C ATOM 553 O ILE A 37 43.941 22.148 -13.607 1.00 0.00 O ATOM 554 CB ILE A 37 42.376 19.518 -12.623 1.00 0.00 C ATOM 555 CG1 ILE A 37 42.019 19.055 -11.205 1.00 0.00 C ATOM 556 CG2 ILE A 37 43.879 19.335 -12.859 1.00 0.00 C ATOM 557 CD1 ILE A 37 42.123 17.530 -11.109 1.00 0.00 C ATOM 0 H ILE A 37 40.106 20.241 -13.262 1.00 0.00 H new ATOM 0 HA ILE A 37 42.207 21.523 -11.845 1.00 0.00 H new ATOM 0 HB ILE A 37 41.824 18.925 -13.353 1.00 0.00 H new ATOM 0 HG12 ILE A 37 42.690 19.519 -10.482 1.00 0.00 H new ATOM 0 HG13 ILE A 37 41.008 19.375 -10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 37 44.139 18.282 -12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 37 44.132 19.668 -13.866 1.00 0.00 H new ATOM 0 HG23 ILE A 37 44.436 19.925 -12.131 1.00 0.00 H new ATOM 0 HD11 ILE A 37 41.868 17.211 -10.099 1.00 0.00 H new ATOM 0 HD12 ILE A 37 41.434 17.073 -11.819 1.00 0.00 H new ATOM 0 HD13 ILE A 37 43.142 17.219 -11.341 1.00 0.00 H new ATOM 569 N LEU A 38 42.370 21.578 -15.112 1.00 0.00 N ATOM 570 CA LEU A 38 43.111 22.150 -16.233 1.00 0.00 C ATOM 571 C LEU A 38 42.900 23.661 -16.314 1.00 0.00 C ATOM 572 O LEU A 38 43.697 24.374 -16.923 1.00 0.00 O ATOM 573 CB LEU A 38 42.691 21.477 -17.549 1.00 0.00 C ATOM 574 CG LEU A 38 41.420 22.124 -18.112 1.00 0.00 C ATOM 575 CD1 LEU A 38 41.796 23.147 -19.187 1.00 0.00 C ATOM 576 CD2 LEU A 38 40.538 21.039 -18.735 1.00 0.00 C ATOM 0 H LEU A 38 41.477 21.154 -15.362 1.00 0.00 H new ATOM 0 HA LEU A 38 44.173 21.966 -16.069 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.498 21.557 -18.277 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.519 20.414 -17.380 1.00 0.00 H new ATOM 0 HG LEU A 38 40.880 22.625 -17.308 1.00 0.00 H new ATOM 0 HD11 LEU A 38 40.891 23.605 -19.586 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.431 23.918 -18.750 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.334 22.647 -19.992 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.632 21.493 -19.137 1.00 0.00 H new ATOM 0 HD22 LEU A 38 41.083 20.544 -19.538 1.00 0.00 H new ATOM 0 HD23 LEU A 38 40.269 20.307 -17.974 1.00 0.00 H new ATOM 588 N SER A 39 41.828 24.146 -15.692 1.00 0.00 N ATOM 589 CA SER A 39 41.536 25.575 -15.699 1.00 0.00 C ATOM 590 C SER A 39 42.469 26.317 -14.747 1.00 0.00 C ATOM 591 O SER A 39 42.723 27.510 -14.917 1.00 0.00 O ATOM 592 CB SER A 39 40.084 25.813 -15.285 1.00 0.00 C ATOM 593 OG SER A 39 39.218 25.264 -16.270 1.00 0.00 O ATOM 0 H SER A 39 41.154 23.576 -15.182 1.00 0.00 H new ATOM 0 HA SER A 39 41.691 25.954 -16.709 1.00 0.00 H new ATOM 0 HB2 SER A 39 39.890 25.352 -14.316 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.896 26.881 -15.174 1.00 0.00 H new ATOM 0 HG SER A 39 38.286 25.414 -16.006 1.00 0.00 H new ATOM 599 N SER A 40 42.978 25.604 -13.747 1.00 0.00 N ATOM 600 CA SER A 40 43.884 26.206 -12.775 1.00 0.00 C ATOM 601 C SER A 40 45.336 25.989 -13.190 1.00 0.00 C ATOM 602 O SER A 40 46.235 25.967 -12.351 1.00 0.00 O ATOM 603 CB SER A 40 43.649 25.595 -11.394 1.00 0.00 C ATOM 604 OG SER A 40 42.321 25.879 -10.975 1.00 0.00 O ATOM 0 H SER A 40 42.780 24.616 -13.589 1.00 0.00 H new ATOM 0 HA SER A 40 43.686 27.277 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 40 43.809 24.517 -11.428 1.00 0.00 H new ATOM 0 HB3 SER A 40 44.363 26.001 -10.678 1.00 0.00 H new ATOM 0 HG SER A 40 42.166 25.487 -10.090 1.00 0.00 H new ATOM 610 N THR A 41 45.555 25.826 -14.491 1.00 0.00 N ATOM 611 CA THR A 41 46.901 25.609 -15.011 1.00 0.00 C ATOM 612 C THR A 41 47.849 26.715 -14.552 1.00 0.00 C ATOM 613 O THR A 41 49.067 26.535 -14.546 1.00 0.00 O ATOM 614 CB THR A 41 46.869 25.566 -16.540 1.00 0.00 C ATOM 615 OG1 THR A 41 48.165 25.252 -17.030 1.00 0.00 O ATOM 616 CG2 THR A 41 46.431 26.927 -17.081 1.00 0.00 C ATOM 0 H THR A 41 44.823 25.840 -15.201 1.00 0.00 H new ATOM 0 HA THR A 41 47.265 24.657 -14.625 1.00 0.00 H new ATOM 0 HB THR A 41 46.162 24.804 -16.868 1.00 0.00 H new ATOM 0 HG1 THR A 41 48.136 24.396 -17.506 1.00 0.00 H new ATOM 0 HG21 THR A 41 46.409 26.895 -18.170 1.00 0.00 H new ATOM 0 HG22 THR A 41 45.436 27.165 -16.704 1.00 0.00 H new ATOM 0 HG23 THR A 41 47.135 27.692 -16.755 1.00 0.00 H new ATOM 624 N ASN A 42 47.287 27.860 -14.171 1.00 0.00 N ATOM 625 CA ASN A 42 48.101 28.984 -13.718 1.00 0.00 C ATOM 626 C ASN A 42 48.413 28.874 -12.225 1.00 0.00 C ATOM 627 O ASN A 42 48.845 29.845 -11.604 1.00 0.00 O ATOM 628 CB ASN A 42 47.366 30.298 -13.989 1.00 0.00 C ATOM 629 CG ASN A 42 46.137 30.403 -13.093 1.00 0.00 C ATOM 630 OD1 ASN A 42 45.735 29.420 -12.471 1.00 0.00 O ATOM 631 ND2 ASN A 42 45.513 31.544 -12.988 1.00 0.00 N ATOM 0 H ASN A 42 46.282 28.033 -14.167 1.00 0.00 H new ATOM 0 HA ASN A 42 49.041 28.965 -14.269 1.00 0.00 H new ATOM 0 HB2 ASN A 42 48.032 31.141 -13.806 1.00 0.00 H new ATOM 0 HB3 ASN A 42 47.068 30.348 -15.036 1.00 0.00 H new ATOM 0 HD21 ASN A 42 44.691 31.622 -12.390 1.00 0.00 H new ATOM 0 HD22 ASN A 42 45.848 32.358 -13.504 1.00 0.00 H new ATOM 638 N VAL A 43 48.195 27.692 -11.652 1.00 0.00 N ATOM 639 CA VAL A 43 48.463 27.483 -10.233 1.00 0.00 C ATOM 640 C VAL A 43 49.908 27.032 -10.012 1.00 0.00 C ATOM 641 O VAL A 43 50.243 26.488 -8.961 1.00 0.00 O ATOM 642 CB VAL A 43 47.497 26.431 -9.677 1.00 0.00 C ATOM 643 CG1 VAL A 43 47.971 25.030 -10.076 1.00 0.00 C ATOM 644 CG2 VAL A 43 47.441 26.539 -8.148 1.00 0.00 C ATOM 0 H VAL A 43 47.837 26.873 -12.143 1.00 0.00 H new ATOM 0 HA VAL A 43 48.316 28.427 -9.709 1.00 0.00 H new ATOM 0 HB VAL A 43 46.503 26.605 -10.088 1.00 0.00 H new ATOM 0 HG11 VAL A 43 47.281 24.286 -9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.002 24.952 -11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.968 24.854 -9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.753 25.790 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 43 48.435 26.371 -7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 43 47.094 27.533 -7.866 1.00 0.00 H new ATOM 654 N GLY A 44 50.763 27.263 -11.006 1.00 0.00 N ATOM 655 CA GLY A 44 52.164 26.873 -10.898 1.00 0.00 C ATOM 656 C GLY A 44 52.436 25.563 -11.636 1.00 0.00 C ATOM 657 O GLY A 44 53.589 25.218 -11.895 1.00 0.00 O ATOM 0 H GLY A 44 50.512 27.714 -11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 44 52.795 27.661 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 44 52.433 26.763 -9.847 1.00 0.00 H new ATOM 661 N SER A 45 51.373 24.836 -11.973 1.00 0.00 N ATOM 662 CA SER A 45 51.520 23.568 -12.679 1.00 0.00 C ATOM 663 C SER A 45 51.445 23.782 -14.188 1.00 0.00 C ATOM 664 O SER A 45 50.936 22.933 -14.920 1.00 0.00 O ATOM 665 CB SER A 45 50.420 22.599 -12.245 1.00 0.00 C ATOM 666 OG SER A 45 49.150 23.180 -12.510 1.00 0.00 O ATOM 0 H SER A 45 50.409 25.101 -11.770 1.00 0.00 H new ATOM 0 HA SER A 45 52.494 23.147 -12.431 1.00 0.00 H new ATOM 0 HB2 SER A 45 50.519 21.655 -12.780 1.00 0.00 H new ATOM 0 HB3 SER A 45 50.515 22.375 -11.183 1.00 0.00 H new ATOM 0 HG SER A 45 48.443 22.560 -12.234 1.00 0.00 H new ATOM 672 N ASN A 46 51.954 24.922 -14.647 1.00 0.00 N ATOM 673 CA ASN A 46 51.937 25.237 -16.072 1.00 0.00 C ATOM 674 C ASN A 46 53.204 24.730 -16.758 1.00 0.00 C ATOM 675 O ASN A 46 53.584 25.224 -17.819 1.00 0.00 O ATOM 676 CB ASN A 46 51.822 26.750 -16.269 1.00 0.00 C ATOM 677 CG ASN A 46 53.064 27.444 -15.719 1.00 0.00 C ATOM 678 OD1 ASN A 46 53.916 26.801 -15.107 1.00 0.00 O ATOM 679 ND2 ASN A 46 53.217 28.727 -15.901 1.00 0.00 N ATOM 0 H ASN A 46 52.380 25.638 -14.058 1.00 0.00 H new ATOM 0 HA ASN A 46 51.076 24.741 -16.520 1.00 0.00 H new ATOM 0 HB2 ASN A 46 51.706 26.979 -17.328 1.00 0.00 H new ATOM 0 HB3 ASN A 46 50.932 27.124 -15.763 1.00 0.00 H new ATOM 0 HD21 ASN A 46 54.044 29.199 -15.536 1.00 0.00 H new ATOM 0 HD22 ASN A 46 52.509 29.258 -16.409 1.00 0.00 H new ATOM 686 N THR A 47 53.854 23.743 -16.148 1.00 0.00 N ATOM 687 CA THR A 47 55.075 23.182 -16.715 1.00 0.00 C ATOM 688 C THR A 47 54.756 21.980 -17.599 1.00 0.00 C ATOM 689 O THR A 47 55.594 21.099 -17.791 1.00 0.00 O ATOM 690 CB THR A 47 56.024 22.756 -15.592 1.00 0.00 C ATOM 691 OG1 THR A 47 55.458 23.107 -14.338 1.00 0.00 O ATOM 692 CG2 THR A 47 57.370 23.462 -15.763 1.00 0.00 C ATOM 0 H THR A 47 53.559 23.319 -15.269 1.00 0.00 H new ATOM 0 HA THR A 47 55.554 23.948 -17.325 1.00 0.00 H new ATOM 0 HB THR A 47 56.175 21.677 -15.633 1.00 0.00 H new ATOM 0 HG1 THR A 47 56.064 22.833 -13.618 1.00 0.00 H new ATOM 0 HG21 THR A 47 58.045 23.158 -14.963 1.00 0.00 H new ATOM 0 HG22 THR A 47 57.803 23.191 -16.726 1.00 0.00 H new ATOM 0 HG23 THR A 47 57.223 24.541 -15.723 1.00 0.00 H new ATOM 700 N TYR A 48 53.540 21.950 -18.135 1.00 0.00 N ATOM 701 CA TYR A 48 53.122 20.850 -18.997 1.00 0.00 C ATOM 702 C TYR A 48 52.485 21.381 -20.279 1.00 0.00 C ATOM 703 O TYR A 48 51.690 20.693 -20.919 1.00 0.00 O ATOM 704 CB TYR A 48 52.123 19.959 -18.257 1.00 0.00 C ATOM 705 CG TYR A 48 50.766 20.623 -18.241 1.00 0.00 C ATOM 706 CD1 TYR A 48 49.713 20.084 -18.989 1.00 0.00 C ATOM 707 CD2 TYR A 48 50.563 21.780 -17.479 1.00 0.00 C ATOM 708 CE1 TYR A 48 48.456 20.700 -18.975 1.00 0.00 C ATOM 709 CE2 TYR A 48 49.306 22.396 -17.464 1.00 0.00 C ATOM 710 CZ TYR A 48 48.253 21.857 -18.212 1.00 0.00 C ATOM 711 OH TYR A 48 47.014 22.465 -18.198 1.00 0.00 O ATOM 0 H TYR A 48 52.831 22.669 -17.989 1.00 0.00 H new ATOM 0 HA TYR A 48 54.003 20.266 -19.261 1.00 0.00 H new ATOM 0 HB2 TYR A 48 52.057 18.986 -18.745 1.00 0.00 H new ATOM 0 HB3 TYR A 48 52.464 19.782 -17.237 1.00 0.00 H new ATOM 0 HD1 TYR A 48 49.870 19.192 -19.577 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.376 22.197 -16.903 1.00 0.00 H new ATOM 0 HE1 TYR A 48 47.644 20.284 -19.552 1.00 0.00 H new ATOM 0 HE2 TYR A 48 49.149 23.287 -16.875 1.00 0.00 H new ATOM 0 HH TYR A 48 46.317 21.790 -18.333 1.00 0.00 H new ATOM 721 N GLY A 49 52.839 22.608 -20.649 1.00 0.00 N ATOM 722 CA GLY A 49 52.292 23.218 -21.855 1.00 0.00 C ATOM 723 C GLY A 49 52.605 22.374 -23.086 1.00 0.00 C ATOM 724 O GLY A 49 53.682 21.786 -23.191 1.00 0.00 O ATOM 0 H GLY A 49 53.497 23.195 -20.136 1.00 0.00 H new ATOM 0 HA2 GLY A 49 51.213 23.331 -21.752 1.00 0.00 H new ATOM 0 HA3 GLY A 49 52.706 24.218 -21.981 1.00 0.00 H new ATOM 728 N LYS A 50 51.656 22.320 -24.015 1.00 0.00 N ATOM 729 CA LYS A 50 51.837 21.546 -25.238 1.00 0.00 C ATOM 730 C LYS A 50 52.951 22.144 -26.092 1.00 0.00 C ATOM 731 O LYS A 50 53.655 21.425 -26.801 1.00 0.00 O ATOM 732 CB LYS A 50 50.534 21.525 -26.040 1.00 0.00 C ATOM 733 CG LYS A 50 49.494 20.681 -25.300 1.00 0.00 C ATOM 734 CD LYS A 50 48.267 20.480 -26.193 1.00 0.00 C ATOM 735 CE LYS A 50 47.517 21.805 -26.342 1.00 0.00 C ATOM 736 NZ LYS A 50 47.084 22.285 -24.998 1.00 0.00 N ATOM 0 H LYS A 50 50.759 22.800 -23.945 1.00 0.00 H new ATOM 0 HA LYS A 50 52.112 20.528 -24.963 1.00 0.00 H new ATOM 0 HB2 LYS A 50 50.163 22.541 -26.178 1.00 0.00 H new ATOM 0 HB3 LYS A 50 50.712 21.113 -27.033 1.00 0.00 H new ATOM 0 HG2 LYS A 50 49.921 19.716 -25.028 1.00 0.00 H new ATOM 0 HG3 LYS A 50 49.204 21.174 -24.372 1.00 0.00 H new ATOM 0 HD2 LYS A 50 48.574 20.112 -27.172 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.610 19.725 -25.761 1.00 0.00 H new ATOM 0 HE2 LYS A 50 48.159 22.547 -26.816 1.00 0.00 H new ATOM 0 HE3 LYS A 50 46.650 21.674 -26.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 46.245 22.892 -25.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 46.850 21.469 -24.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 47.854 22.829 -24.559 1.00 0.00 H new ATOM 750 N ARG A 51 53.098 23.464 -26.021 1.00 0.00 N ATOM 751 CA ARG A 51 54.124 24.155 -26.796 1.00 0.00 C ATOM 752 C ARG A 51 55.473 23.457 -26.650 1.00 0.00 C ATOM 753 O ARG A 51 56.303 23.494 -27.558 1.00 0.00 O ATOM 754 CB ARG A 51 54.243 25.610 -26.333 1.00 0.00 C ATOM 755 CG ARG A 51 54.817 25.660 -24.914 1.00 0.00 C ATOM 756 CD ARG A 51 54.838 27.108 -24.424 1.00 0.00 C ATOM 757 NE ARG A 51 55.437 27.184 -23.095 1.00 0.00 N ATOM 758 CZ ARG A 51 54.744 26.892 -21.992 1.00 0.00 C ATOM 759 NH1 ARG A 51 53.491 26.520 -22.066 1.00 0.00 N ATOM 760 NH2 ARG A 51 55.322 26.980 -20.826 1.00 0.00 N ATOM 0 H ARG A 51 52.524 24.073 -25.439 1.00 0.00 H new ATOM 0 HA ARG A 51 53.831 24.133 -27.846 1.00 0.00 H new ATOM 0 HB2 ARG A 51 54.886 26.166 -27.015 1.00 0.00 H new ATOM 0 HB3 ARG A 51 53.264 26.089 -26.356 1.00 0.00 H new ATOM 0 HG2 ARG A 51 54.214 25.047 -24.244 1.00 0.00 H new ATOM 0 HG3 ARG A 51 55.825 25.246 -24.903 1.00 0.00 H new ATOM 0 HD2 ARG A 51 55.403 27.727 -25.121 1.00 0.00 H new ATOM 0 HD3 ARG A 51 53.823 27.505 -24.396 1.00 0.00 H new ATOM 0 HE ARG A 51 56.413 27.468 -23.007 1.00 0.00 H new ATOM 0 HH11 ARG A 51 53.032 26.450 -22.974 1.00 0.00 H new ATOM 0 HH12 ARG A 51 52.973 26.300 -21.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 56.298 27.270 -20.761 1.00 0.00 H new ATOM 0 HH22 ARG A 51 54.798 26.758 -19.979 1.00 0.00 H new ATOM 774 N ASN A 52 55.687 22.821 -25.504 1.00 0.00 N ATOM 775 CA ASN A 52 56.940 22.117 -25.257 1.00 0.00 C ATOM 776 C ASN A 52 57.061 20.900 -26.169 1.00 0.00 C ATOM 777 O ASN A 52 58.129 20.621 -26.713 1.00 0.00 O ATOM 778 CB ASN A 52 57.006 21.667 -23.796 1.00 0.00 C ATOM 779 CG ASN A 52 58.323 20.945 -23.534 1.00 0.00 C ATOM 780 OD1 ASN A 52 59.388 21.561 -23.572 1.00 0.00 O ATOM 781 ND2 ASN A 52 58.314 19.666 -23.272 1.00 0.00 N ATOM 0 H ASN A 52 55.016 22.778 -24.737 1.00 0.00 H new ATOM 0 HA ASN A 52 57.764 22.798 -25.467 1.00 0.00 H new ATOM 0 HB2 ASN A 52 56.917 22.530 -23.136 1.00 0.00 H new ATOM 0 HB3 ASN A 52 56.168 21.007 -23.572 1.00 0.00 H new ATOM 0 HD21 ASN A 52 59.191 19.175 -23.098 1.00 0.00 H new ATOM 0 HD22 ASN A 52 57.430 19.158 -23.241 1.00 0.00 H new ATOM 788 N ALA A 53 55.957 20.176 -26.321 1.00 0.00 N ATOM 789 CA ALA A 53 55.943 18.982 -27.160 1.00 0.00 C ATOM 790 C ALA A 53 56.258 19.330 -28.612 1.00 0.00 C ATOM 791 O ALA A 53 57.059 18.657 -29.261 1.00 0.00 O ATOM 792 CB ALA A 53 54.572 18.307 -27.083 1.00 0.00 C ATOM 0 H ALA A 53 55.065 20.393 -25.877 1.00 0.00 H new ATOM 0 HA ALA A 53 56.710 18.300 -26.792 1.00 0.00 H new ATOM 0 HB1 ALA A 53 54.569 17.417 -27.712 1.00 0.00 H new ATOM 0 HB2 ALA A 53 54.363 18.024 -26.051 1.00 0.00 H new ATOM 0 HB3 ALA A 53 53.805 18.999 -27.431 1.00 0.00 H new ATOM 798 N VAL A 54 55.618 20.377 -29.120 1.00 0.00 N ATOM 799 CA VAL A 54 55.835 20.796 -30.501 1.00 0.00 C ATOM 800 C VAL A 54 57.221 21.412 -30.675 1.00 0.00 C ATOM 801 O VAL A 54 57.747 21.473 -31.787 1.00 0.00 O ATOM 802 CB VAL A 54 54.765 21.812 -30.911 1.00 0.00 C ATOM 803 CG1 VAL A 54 55.309 23.235 -30.751 1.00 0.00 C ATOM 804 CG2 VAL A 54 54.375 21.576 -32.373 1.00 0.00 C ATOM 0 H VAL A 54 54.950 20.948 -28.602 1.00 0.00 H new ATOM 0 HA VAL A 54 55.767 19.915 -31.139 1.00 0.00 H new ATOM 0 HB VAL A 54 53.890 21.690 -30.273 1.00 0.00 H new ATOM 0 HG11 VAL A 54 54.543 23.953 -31.044 1.00 0.00 H new ATOM 0 HG12 VAL A 54 55.585 23.404 -29.710 1.00 0.00 H new ATOM 0 HG13 VAL A 54 56.187 23.362 -31.384 1.00 0.00 H new ATOM 0 HG21 VAL A 54 53.613 22.298 -32.667 1.00 0.00 H new ATOM 0 HG22 VAL A 54 55.253 21.696 -33.008 1.00 0.00 H new ATOM 0 HG23 VAL A 54 53.981 20.566 -32.486 1.00 0.00 H new ATOM 814 N GLU A 55 57.813 21.865 -29.573 1.00 0.00 N ATOM 815 CA GLU A 55 59.136 22.471 -29.632 1.00 0.00 C ATOM 816 C GLU A 55 60.194 21.410 -29.916 1.00 0.00 C ATOM 817 O GLU A 55 60.936 21.507 -30.893 1.00 0.00 O ATOM 818 CB GLU A 55 59.452 23.173 -28.310 1.00 0.00 C ATOM 819 CG GLU A 55 60.639 24.118 -28.505 1.00 0.00 C ATOM 820 CD GLU A 55 61.945 23.329 -28.479 1.00 0.00 C ATOM 821 OE1 GLU A 55 61.990 22.316 -27.801 1.00 0.00 O ATOM 822 OE2 GLU A 55 62.881 23.750 -29.138 1.00 0.00 O ATOM 0 H GLU A 55 57.402 21.824 -28.640 1.00 0.00 H new ATOM 0 HA GLU A 55 59.145 23.204 -30.439 1.00 0.00 H new ATOM 0 HB2 GLU A 55 58.582 23.732 -27.965 1.00 0.00 H new ATOM 0 HB3 GLU A 55 59.683 22.436 -27.541 1.00 0.00 H new ATOM 0 HG2 GLU A 55 60.542 24.645 -29.454 1.00 0.00 H new ATOM 0 HG3 GLU A 55 60.646 24.874 -27.719 1.00 0.00 H new ATOM 829 N VAL A 56 60.260 20.399 -29.056 1.00 0.00 N ATOM 830 CA VAL A 56 61.234 19.329 -29.230 1.00 0.00 C ATOM 831 C VAL A 56 61.014 18.621 -30.563 1.00 0.00 C ATOM 832 O VAL A 56 61.959 18.116 -31.170 1.00 0.00 O ATOM 833 CB VAL A 56 61.122 18.322 -28.082 1.00 0.00 C ATOM 834 CG1 VAL A 56 59.748 17.652 -28.115 1.00 0.00 C ATOM 835 CG2 VAL A 56 62.210 17.256 -28.234 1.00 0.00 C ATOM 0 H VAL A 56 59.657 20.299 -28.240 1.00 0.00 H new ATOM 0 HA VAL A 56 62.233 19.766 -29.225 1.00 0.00 H new ATOM 0 HB VAL A 56 61.247 18.842 -27.132 1.00 0.00 H new ATOM 0 HG11 VAL A 56 59.673 16.936 -27.296 1.00 0.00 H new ATOM 0 HG12 VAL A 56 58.971 18.409 -28.008 1.00 0.00 H new ATOM 0 HG13 VAL A 56 59.619 17.132 -29.064 1.00 0.00 H new ATOM 0 HG21 VAL A 56 62.132 16.538 -27.418 1.00 0.00 H new ATOM 0 HG22 VAL A 56 62.083 16.739 -29.185 1.00 0.00 H new ATOM 0 HG23 VAL A 56 63.191 17.731 -28.207 1.00 0.00 H new ATOM 845 N LEU A 57 59.761 18.586 -31.010 1.00 0.00 N ATOM 846 CA LEU A 57 59.431 17.934 -32.273 1.00 0.00 C ATOM 847 C LEU A 57 60.364 18.424 -33.375 1.00 0.00 C ATOM 848 O LEU A 57 60.941 17.632 -34.119 1.00 0.00 O ATOM 849 CB LEU A 57 57.981 18.235 -32.659 1.00 0.00 C ATOM 850 CG LEU A 57 57.170 16.939 -32.642 1.00 0.00 C ATOM 851 CD1 LEU A 57 56.747 16.619 -31.207 1.00 0.00 C ATOM 852 CD2 LEU A 57 55.924 17.105 -33.515 1.00 0.00 C ATOM 0 H LEU A 57 58.965 18.997 -30.522 1.00 0.00 H new ATOM 0 HA LEU A 57 59.553 16.858 -32.151 1.00 0.00 H new ATOM 0 HB2 LEU A 57 57.550 18.955 -31.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 57.944 18.687 -33.650 1.00 0.00 H new ATOM 0 HG LEU A 57 57.781 16.124 -33.031 1.00 0.00 H new ATOM 0 HD11 LEU A 57 56.169 15.695 -31.196 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.634 16.500 -30.584 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.137 17.434 -30.817 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.346 16.181 -33.503 1.00 0.00 H new ATOM 0 HD22 LEU A 57 55.314 17.920 -33.127 1.00 0.00 H new ATOM 0 HD23 LEU A 57 56.224 17.332 -34.538 1.00 0.00 H new ATOM 864 N LYS A 58 60.509 19.743 -33.459 1.00 0.00 N ATOM 865 CA LYS A 58 61.378 20.352 -34.460 1.00 0.00 C ATOM 866 C LYS A 58 62.814 19.870 -34.284 1.00 0.00 C ATOM 867 O LYS A 58 63.527 19.637 -35.261 1.00 0.00 O ATOM 868 CB LYS A 58 61.337 21.876 -34.321 1.00 0.00 C ATOM 869 CG LYS A 58 59.980 22.402 -34.799 1.00 0.00 C ATOM 870 CD LYS A 58 59.918 22.346 -36.327 1.00 0.00 C ATOM 871 CE LYS A 58 58.698 23.129 -36.817 1.00 0.00 C ATOM 872 NZ LYS A 58 57.453 22.437 -36.378 1.00 0.00 N ATOM 0 H LYS A 58 60.037 20.409 -32.847 1.00 0.00 H new ATOM 0 HA LYS A 58 61.024 20.062 -35.449 1.00 0.00 H new ATOM 0 HB2 LYS A 58 61.503 22.161 -33.282 1.00 0.00 H new ATOM 0 HB3 LYS A 58 62.139 22.326 -34.906 1.00 0.00 H new ATOM 0 HG2 LYS A 58 59.175 21.805 -34.370 1.00 0.00 H new ATOM 0 HG3 LYS A 58 59.834 23.426 -34.456 1.00 0.00 H new ATOM 0 HD2 LYS A 58 60.829 22.766 -36.754 1.00 0.00 H new ATOM 0 HD3 LYS A 58 59.857 21.310 -36.661 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.721 24.144 -36.421 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.717 23.210 -37.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.634 22.857 -36.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 57.515 21.427 -36.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 57.340 22.544 -35.350 1.00 0.00 H new ATOM 886 N ARG A 59 63.231 19.725 -33.031 1.00 0.00 N ATOM 887 CA ARG A 59 64.585 19.273 -32.729 1.00 0.00 C ATOM 888 C ARG A 59 64.808 17.841 -33.214 1.00 0.00 C ATOM 889 O ARG A 59 65.949 17.399 -33.353 1.00 0.00 O ATOM 890 CB ARG A 59 64.833 19.346 -31.221 1.00 0.00 C ATOM 891 CG ARG A 59 66.313 19.087 -30.934 1.00 0.00 C ATOM 892 CD ARG A 59 66.605 19.370 -29.460 1.00 0.00 C ATOM 893 NE ARG A 59 68.019 19.150 -29.173 1.00 0.00 N ATOM 894 CZ ARG A 59 68.561 19.500 -28.005 1.00 0.00 C ATOM 895 NH1 ARG A 59 67.834 20.057 -27.069 1.00 0.00 N ATOM 896 NH2 ARG A 59 69.831 19.286 -27.793 1.00 0.00 N ATOM 0 H ARG A 59 62.654 19.913 -32.211 1.00 0.00 H new ATOM 0 HA ARG A 59 65.285 19.927 -33.250 1.00 0.00 H new ATOM 0 HB2 ARG A 59 64.544 20.326 -30.841 1.00 0.00 H new ATOM 0 HB3 ARG A 59 64.217 18.610 -30.704 1.00 0.00 H new ATOM 0 HG2 ARG A 59 66.565 18.054 -31.174 1.00 0.00 H new ATOM 0 HG3 ARG A 59 66.933 19.722 -31.567 1.00 0.00 H new ATOM 0 HD2 ARG A 59 66.334 20.398 -29.219 1.00 0.00 H new ATOM 0 HD3 ARG A 59 65.994 18.723 -28.830 1.00 0.00 H new ATOM 0 HE ARG A 59 68.608 18.717 -29.884 1.00 0.00 H new ATOM 0 HH11 ARG A 59 66.841 20.228 -27.228 1.00 0.00 H new ATOM 0 HH12 ARG A 59 68.261 20.320 -26.181 1.00 0.00 H new ATOM 0 HH21 ARG A 59 70.403 18.853 -28.518 1.00 0.00 H new ATOM 0 HH22 ARG A 59 70.251 19.551 -26.902 1.00 0.00 H new ATOM 910 N GLU A 60 63.719 17.119 -33.465 1.00 0.00 N ATOM 911 CA GLU A 60 63.823 15.739 -33.928 1.00 0.00 C ATOM 912 C GLU A 60 63.215 15.590 -35.320 1.00 0.00 C ATOM 913 O GLU A 60 62.130 15.031 -35.476 1.00 0.00 O ATOM 914 CB GLU A 60 63.098 14.808 -32.953 1.00 0.00 C ATOM 915 CG GLU A 60 63.744 14.911 -31.570 1.00 0.00 C ATOM 916 CD GLU A 60 65.208 14.493 -31.646 1.00 0.00 C ATOM 917 OE1 GLU A 60 65.490 13.511 -32.313 1.00 0.00 O ATOM 918 OE2 GLU A 60 66.026 15.160 -31.035 1.00 0.00 O ATOM 0 H GLU A 60 62.765 17.462 -33.357 1.00 0.00 H new ATOM 0 HA GLU A 60 64.878 15.471 -33.975 1.00 0.00 H new ATOM 0 HB2 GLU A 60 62.043 15.077 -32.894 1.00 0.00 H new ATOM 0 HB3 GLU A 60 63.146 13.780 -33.312 1.00 0.00 H new ATOM 0 HG2 GLU A 60 63.668 15.933 -31.199 1.00 0.00 H new ATOM 0 HG3 GLU A 60 63.212 14.275 -30.863 1.00 0.00 H new ATOM 925 N PRO A 61 63.895 16.073 -36.325 1.00 0.00 N ATOM 926 CA PRO A 61 63.417 15.990 -37.737 1.00 0.00 C ATOM 927 C PRO A 61 63.382 14.551 -38.255 1.00 0.00 C ATOM 928 O PRO A 61 62.789 14.271 -39.296 1.00 0.00 O ATOM 929 CB PRO A 61 64.432 16.828 -38.520 1.00 0.00 C ATOM 930 CG PRO A 61 65.661 16.862 -37.675 1.00 0.00 C ATOM 931 CD PRO A 61 65.195 16.753 -36.224 1.00 0.00 C ATOM 0 HA PRO A 61 62.393 16.350 -37.839 1.00 0.00 H new ATOM 0 HB2 PRO A 61 64.638 16.384 -39.494 1.00 0.00 H new ATOM 0 HB3 PRO A 61 64.053 17.834 -38.701 1.00 0.00 H new ATOM 0 HG2 PRO A 61 66.330 16.040 -37.930 1.00 0.00 H new ATOM 0 HG3 PRO A 61 66.216 17.786 -37.835 1.00 0.00 H new ATOM 0 HD2 PRO A 61 65.899 16.182 -35.619 1.00 0.00 H new ATOM 0 HD3 PRO A 61 65.098 17.734 -35.760 1.00 0.00 H new ATOM 939 N LEU A 62 64.023 13.643 -37.522 1.00 0.00 N ATOM 940 CA LEU A 62 64.060 12.241 -37.916 1.00 0.00 C ATOM 941 C LEU A 62 62.645 11.679 -38.026 1.00 0.00 C ATOM 942 O LEU A 62 62.345 10.899 -38.929 1.00 0.00 O ATOM 943 CB LEU A 62 64.859 11.435 -36.886 1.00 0.00 C ATOM 944 CG LEU A 62 64.916 9.962 -37.301 1.00 0.00 C ATOM 945 CD1 LEU A 62 65.687 9.825 -38.616 1.00 0.00 C ATOM 946 CD2 LEU A 62 65.628 9.157 -36.210 1.00 0.00 C ATOM 0 H LEU A 62 64.521 13.854 -36.657 1.00 0.00 H new ATOM 0 HA LEU A 62 64.543 12.165 -38.890 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.869 11.837 -36.802 1.00 0.00 H new ATOM 0 HB3 LEU A 62 64.397 11.526 -35.903 1.00 0.00 H new ATOM 0 HG LEU A 62 63.902 9.585 -37.436 1.00 0.00 H new ATOM 0 HD11 LEU A 62 65.725 8.775 -38.908 1.00 0.00 H new ATOM 0 HD12 LEU A 62 65.185 10.400 -39.394 1.00 0.00 H new ATOM 0 HD13 LEU A 62 66.701 10.202 -38.484 1.00 0.00 H new ATOM 0 HD21 LEU A 62 65.671 8.108 -36.501 1.00 0.00 H new ATOM 0 HD22 LEU A 62 66.641 9.539 -36.078 1.00 0.00 H new ATOM 0 HD23 LEU A 62 65.080 9.251 -35.272 1.00 0.00 H new ATOM 958 N ASN A 63 61.782 12.083 -37.100 1.00 0.00 N ATOM 959 CA ASN A 63 60.400 11.616 -37.102 1.00 0.00 C ATOM 960 C ASN A 63 59.545 12.447 -38.058 1.00 0.00 C ATOM 961 O ASN A 63 58.461 12.024 -38.458 1.00 0.00 O ATOM 962 CB ASN A 63 59.817 11.701 -35.690 1.00 0.00 C ATOM 963 CG ASN A 63 59.140 13.053 -35.485 1.00 0.00 C ATOM 964 OD1 ASN A 63 57.837 13.128 -35.495 1.00 0.00 O flip ATOM 965 ND2 ASN A 63 59.816 14.066 -35.312 1.00 0.00 N flip ATOM 0 H ASN A 63 62.012 12.728 -36.344 1.00 0.00 H new ATOM 0 HA ASN A 63 60.392 10.579 -37.439 1.00 0.00 H new ATOM 0 HB2 ASN A 63 59.097 10.897 -35.536 1.00 0.00 H new ATOM 0 HB3 ASN A 63 60.608 11.566 -34.952 1.00 0.00 H new ATOM 0 HD21 ASN A 63 60.834 14.005 -35.305 1.00 0.00 H new ATOM 0 HD22 ASN A 63 59.358 14.967 -35.176 1.00 0.00 H new ATOM 972 N TYR A 64 60.034 13.631 -38.418 1.00 0.00 N ATOM 973 CA TYR A 64 59.297 14.504 -39.324 1.00 0.00 C ATOM 974 C TYR A 64 59.375 13.983 -40.756 1.00 0.00 C ATOM 975 O TYR A 64 58.446 14.161 -41.544 1.00 0.00 O ATOM 976 CB TYR A 64 59.870 15.921 -39.262 1.00 0.00 C ATOM 977 CG TYR A 64 58.968 16.864 -40.021 1.00 0.00 C ATOM 978 CD1 TYR A 64 57.863 17.441 -39.384 1.00 0.00 C ATOM 979 CD2 TYR A 64 59.235 17.160 -41.363 1.00 0.00 C ATOM 980 CE1 TYR A 64 57.026 18.315 -40.088 1.00 0.00 C ATOM 981 CE2 TYR A 64 58.399 18.034 -42.067 1.00 0.00 C ATOM 982 CZ TYR A 64 57.294 18.612 -41.429 1.00 0.00 C ATOM 983 OH TYR A 64 56.469 19.473 -42.124 1.00 0.00 O ATOM 0 H TYR A 64 60.928 14.004 -38.099 1.00 0.00 H new ATOM 0 HA TYR A 64 58.252 14.520 -39.014 1.00 0.00 H new ATOM 0 HB2 TYR A 64 59.960 16.243 -38.225 1.00 0.00 H new ATOM 0 HB3 TYR A 64 60.873 15.938 -39.689 1.00 0.00 H new ATOM 0 HD1 TYR A 64 57.656 17.212 -38.349 1.00 0.00 H new ATOM 0 HD2 TYR A 64 60.086 16.714 -41.855 1.00 0.00 H new ATOM 0 HE1 TYR A 64 56.174 18.760 -39.596 1.00 0.00 H new ATOM 0 HE2 TYR A 64 58.606 18.263 -43.102 1.00 0.00 H new ATOM 0 HH TYR A 64 56.798 19.571 -43.042 1.00 0.00 H new ATOM 993 N LEU A 65 60.492 13.341 -41.085 1.00 0.00 N ATOM 994 CA LEU A 65 60.684 12.800 -42.426 1.00 0.00 C ATOM 995 C LEU A 65 60.595 11.272 -42.404 1.00 0.00 C ATOM 996 O LEU A 65 60.771 10.652 -41.356 1.00 0.00 O ATOM 997 CB LEU A 65 62.051 13.227 -42.967 1.00 0.00 C ATOM 998 CG LEU A 65 62.114 14.753 -43.052 1.00 0.00 C ATOM 999 CD1 LEU A 65 63.543 15.186 -43.389 1.00 0.00 C ATOM 1000 CD2 LEU A 65 61.162 15.243 -44.147 1.00 0.00 C ATOM 0 H LEU A 65 61.272 13.184 -40.447 1.00 0.00 H new ATOM 0 HA LEU A 65 59.899 13.189 -43.074 1.00 0.00 H new ATOM 0 HB2 LEU A 65 62.843 12.856 -42.317 1.00 0.00 H new ATOM 0 HB3 LEU A 65 62.216 12.790 -43.952 1.00 0.00 H new ATOM 0 HG LEU A 65 61.819 15.183 -42.095 1.00 0.00 H new ATOM 0 HD11 LEU A 65 63.589 16.273 -43.450 1.00 0.00 H new ATOM 0 HD12 LEU A 65 64.222 14.837 -42.611 1.00 0.00 H new ATOM 0 HD13 LEU A 65 63.837 14.756 -44.347 1.00 0.00 H new ATOM 0 HD21 LEU A 65 61.206 16.330 -44.208 1.00 0.00 H new ATOM 0 HD22 LEU A 65 61.457 14.813 -45.104 1.00 0.00 H new ATOM 0 HD23 LEU A 65 60.144 14.934 -43.909 1.00 0.00 H new ATOM 1012 N PRO A 66 60.328 10.656 -43.532 1.00 0.00 N ATOM 1013 CA PRO A 66 60.220 9.168 -43.624 1.00 0.00 C ATOM 1014 C PRO A 66 61.468 8.468 -43.092 1.00 0.00 C ATOM 1015 O PRO A 66 62.586 8.950 -43.273 1.00 0.00 O ATOM 1016 CB PRO A 66 60.046 8.899 -45.122 1.00 0.00 C ATOM 1017 CG PRO A 66 59.535 10.175 -45.701 1.00 0.00 C ATOM 1018 CD PRO A 66 60.100 11.299 -44.837 1.00 0.00 C ATOM 0 HA PRO A 66 59.397 8.785 -43.022 1.00 0.00 H new ATOM 0 HB2 PRO A 66 60.992 8.611 -45.581 1.00 0.00 H new ATOM 0 HB3 PRO A 66 59.346 8.082 -45.295 1.00 0.00 H new ATOM 0 HG2 PRO A 66 59.853 10.285 -46.738 1.00 0.00 H new ATOM 0 HG3 PRO A 66 58.445 10.194 -45.698 1.00 0.00 H new ATOM 0 HD2 PRO A 66 61.025 11.698 -45.254 1.00 0.00 H new ATOM 0 HD3 PRO A 66 59.401 12.132 -44.756 1.00 0.00 H new