USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 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 24 SER OG : rot 80:sc= 0.657 USER MOD Set 1.2: A 60 TYR OH : rot 180:sc=-0.00372 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.758 F(o=-2.4,f=-0.76) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0761 USER MOD Single : A 11 GLN : amide:sc= 0.255 X(o=0.26,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -1.65 F(o=-6.3!,f=-1.6) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.901 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -2.3! C(o=-2.8!,f=-2.3!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.0013) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -105:sc= 0.639 USER MOD Single : A 54 MET CE :methyl -160:sc= -0.195 (180deg=-0.818) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 62 GLN : amide:sc=-0.00113 K(o=-0.0011,f=-0.91) USER MOD Single : A 64 SER OG : rot -57:sc= 1.03 USER MOD Single : A 66 GLN :FLIP amide:sc= -3.95! C(o=-8.4!,f=-3.9!) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.0131 (180deg=-0.162) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 3 0.734 12.051 2.325 1.00 1.62 N ATOM 42 CA ASP A 3 1.501 10.881 2.737 1.00 1.65 C ATOM 43 C ASP A 3 1.334 10.615 4.230 1.00 1.75 C ATOM 44 O ASP A 3 0.857 11.471 4.975 1.00 2.10 O ATOM 45 CB ASP A 3 2.983 11.073 2.409 1.00 2.02 C ATOM 46 CG ASP A 3 3.215 11.398 0.947 1.00 2.83 C ATOM 47 OD1 ASP A 3 3.349 10.453 0.142 1.00 3.58 O ATOM 48 OD2 ASP A 3 3.266 12.599 0.607 1.00 2.96 O ATOM 0 HA ASP A 3 1.120 10.020 2.187 1.00 1.65 H new ATOM 0 HB2 ASP A 3 3.387 11.876 3.025 1.00 2.02 H new ATOM 0 HB3 ASP A 3 3.530 10.166 2.668 1.00 2.02 H new ATOM 53 N TRP A 4 1.730 9.419 4.657 1.00 1.79 N ATOM 54 CA TRP A 4 1.628 9.027 6.055 1.00 2.23 C ATOM 55 C TRP A 4 2.754 8.063 6.408 1.00 2.33 C ATOM 56 O TRP A 4 3.118 7.905 7.574 1.00 2.91 O ATOM 57 CB TRP A 4 0.282 8.356 6.308 1.00 2.72 C ATOM 58 CG TRP A 4 0.077 7.150 5.451 1.00 2.37 C ATOM 59 CD1 TRP A 4 -0.440 7.120 4.192 1.00 2.53 C ATOM 60 CD2 TRP A 4 0.402 5.799 5.785 1.00 2.23 C ATOM 61 NE1 TRP A 4 -0.460 5.830 3.720 1.00 2.21 N ATOM 62 CE2 TRP A 4 0.051 5.000 4.681 1.00 2.15 C ATOM 63 CE3 TRP A 4 0.956 5.187 6.911 1.00 2.65 C ATOM 64 CZ2 TRP A 4 0.236 3.620 4.672 1.00 2.51 C ATOM 65 CZ3 TRP A 4 1.141 3.821 6.901 1.00 3.19 C ATOM 66 CH2 TRP A 4 0.783 3.049 5.788 1.00 3.13 C ATOM 0 H TRP A 4 2.126 8.702 4.049 1.00 1.79 H new ATOM 0 HA TRP A 4 1.709 9.917 6.679 1.00 2.23 H new ATOM 0 HB2 TRP A 4 0.214 8.069 7.357 1.00 2.72 H new ATOM 0 HB3 TRP A 4 -0.519 9.072 6.121 1.00 2.72 H new ATOM 0 HD1 TRP A 4 -0.784 7.985 3.644 1.00 2.53 H new ATOM 0 HE1 TRP A 4 -0.800 5.538 2.804 1.00 2.21 H new ATOM 0 HE3 TRP A 4 1.235 5.773 7.774 1.00 2.65 H new ATOM 0 HZ2 TRP A 4 -0.042 3.023 3.816 1.00 2.51 H new ATOM 0 HZ3 TRP A 4 1.569 3.337 7.766 1.00 3.19 H new ATOM 0 HH2 TRP A 4 0.942 1.981 5.812 1.00 3.13 H new ATOM 77 N ASN A 5 3.298 7.422 5.378 1.00 1.89 N ATOM 78 CA ASN A 5 4.378 6.457 5.542 1.00 1.98 C ATOM 79 C ASN A 5 5.741 7.145 5.505 1.00 2.12 C ATOM 80 O ASN A 5 6.706 6.606 4.961 1.00 2.58 O ATOM 81 CB ASN A 5 4.291 5.403 4.438 1.00 1.85 C ATOM 82 CG ASN A 5 4.206 3.992 4.986 1.00 2.43 C ATOM 83 OD1 ASN A 5 3.474 3.135 4.283 1.00 3.20 O flip ATOM 84 ND2 ASN A 5 4.784 3.679 6.026 1.00 2.75 N flip ATOM 0 H ASN A 5 3.004 7.557 4.411 1.00 1.89 H new ATOM 0 HA ASN A 5 4.271 5.978 6.515 1.00 1.98 H new ATOM 0 HB2 ASN A 5 3.416 5.602 3.819 1.00 1.85 H new ATOM 0 HB3 ASN A 5 5.165 5.486 3.792 1.00 1.85 H new ATOM 0 HD21 ASN A 5 5.335 4.372 6.532 1.00 2.75 H new ATOM 0 HD22 ASN A 5 4.712 2.726 6.382 1.00 2.75 H new ATOM 91 N ILE A 6 5.814 8.331 6.097 1.00 1.91 N ATOM 92 CA ILE A 6 7.049 9.099 6.132 1.00 2.11 C ATOM 93 C ILE A 6 8.092 8.416 7.010 1.00 2.18 C ATOM 94 O ILE A 6 9.278 8.740 6.953 1.00 2.38 O ATOM 95 CB ILE A 6 6.791 10.519 6.664 1.00 2.40 C ATOM 96 CG1 ILE A 6 5.600 11.143 5.935 1.00 2.27 C ATOM 97 CG2 ILE A 6 8.033 11.387 6.523 1.00 2.80 C ATOM 98 CD1 ILE A 6 5.870 11.445 4.479 1.00 3.11 C ATOM 0 H ILE A 6 5.026 8.783 6.562 1.00 1.91 H new ATOM 0 HA ILE A 6 7.427 9.159 5.111 1.00 2.11 H new ATOM 0 HB ILE A 6 6.553 10.455 7.726 1.00 2.40 H new ATOM 0 HG12 ILE A 6 4.748 10.467 6.005 1.00 2.27 H new ATOM 0 HG13 ILE A 6 5.318 12.066 6.442 1.00 2.27 H new ATOM 0 HG21 ILE A 6 7.824 12.386 6.906 1.00 2.80 H new ATOM 0 HG22 ILE A 6 8.852 10.945 7.090 1.00 2.80 H new ATOM 0 HG23 ILE A 6 8.313 11.453 5.472 1.00 2.80 H new ATOM 0 HD11 ILE A 6 4.981 11.885 4.028 1.00 3.11 H new ATOM 0 HD12 ILE A 6 6.701 12.145 4.401 1.00 3.11 H new ATOM 0 HD13 ILE A 6 6.123 10.522 3.957 1.00 3.11 H new ATOM 110 N ALA A 7 7.640 7.459 7.812 1.00 2.12 N ATOM 111 CA ALA A 7 8.529 6.732 8.709 1.00 2.32 C ATOM 112 C ALA A 7 9.574 5.938 7.932 1.00 2.11 C ATOM 113 O ALA A 7 10.558 5.466 8.500 1.00 2.41 O ATOM 114 CB ALA A 7 7.727 5.808 9.613 1.00 2.56 C ATOM 0 H ALA A 7 6.663 7.169 7.859 1.00 2.12 H new ATOM 0 HA ALA A 7 9.054 7.462 9.325 1.00 2.32 H new ATOM 0 HB1 ALA A 7 8.404 5.271 10.278 1.00 2.56 H new ATOM 0 HB2 ALA A 7 7.027 6.397 10.206 1.00 2.56 H new ATOM 0 HB3 ALA A 7 7.174 5.093 9.004 1.00 2.56 H new ATOM 120 N ALA A 8 9.348 5.790 6.632 1.00 1.79 N ATOM 121 CA ALA A 8 10.262 5.057 5.771 1.00 1.61 C ATOM 122 C ALA A 8 11.475 5.905 5.405 1.00 1.75 C ATOM 123 O ALA A 8 11.373 6.846 4.618 1.00 1.98 O ATOM 124 CB ALA A 8 9.541 4.590 4.518 1.00 1.44 C ATOM 0 H ALA A 8 8.534 6.171 6.151 1.00 1.79 H new ATOM 0 HA ALA A 8 10.618 4.185 6.319 1.00 1.61 H new ATOM 0 HB1 ALA A 8 10.236 4.042 3.881 1.00 1.44 H new ATOM 0 HB2 ALA A 8 8.713 3.938 4.796 1.00 1.44 H new ATOM 0 HB3 ALA A 8 9.156 5.454 3.976 1.00 1.44 H new ATOM 130 N LYS A 9 12.624 5.565 5.983 1.00 1.76 N ATOM 131 CA LYS A 9 13.861 6.293 5.718 1.00 1.95 C ATOM 132 C LYS A 9 14.594 5.705 4.517 1.00 1.64 C ATOM 133 O LYS A 9 14.928 6.422 3.571 1.00 1.76 O ATOM 134 CB LYS A 9 14.768 6.266 6.951 1.00 2.29 C ATOM 135 CG LYS A 9 14.475 7.367 7.953 1.00 2.78 C ATOM 136 CD LYS A 9 13.059 7.272 8.488 1.00 3.05 C ATOM 137 CE LYS A 9 12.938 8.025 9.790 1.00 3.46 C ATOM 138 NZ LYS A 9 12.957 9.500 9.588 1.00 4.19 N ATOM 0 H LYS A 9 12.724 4.790 6.638 1.00 1.76 H new ATOM 0 HA LYS A 9 13.602 7.327 5.489 1.00 1.95 H new ATOM 0 HB2 LYS A 9 14.664 5.300 7.446 1.00 2.29 H new ATOM 0 HB3 LYS A 9 15.806 6.348 6.628 1.00 2.29 H new ATOM 0 HG2 LYS A 9 15.182 7.305 8.780 1.00 2.78 H new ATOM 0 HG3 LYS A 9 14.622 8.338 7.481 1.00 2.78 H new ATOM 0 HD2 LYS A 9 12.359 7.680 7.758 1.00 3.05 H new ATOM 0 HD3 LYS A 9 12.789 6.227 8.639 1.00 3.05 H new ATOM 0 HE2 LYS A 9 12.012 7.740 10.288 1.00 3.46 H new ATOM 0 HE3 LYS A 9 13.756 7.739 10.451 1.00 3.46 H new ATOM 0 HZ1 LYS A 9 12.871 9.978 10.508 1.00 4.19 H new ATOM 0 HZ2 LYS A 9 13.852 9.777 9.136 1.00 4.19 H new ATOM 0 HZ3 LYS A 9 12.161 9.777 8.979 1.00 4.19 H new ATOM 152 N SER A 10 14.841 4.399 4.558 1.00 1.35 N ATOM 153 CA SER A 10 15.533 3.720 3.467 1.00 1.09 C ATOM 154 C SER A 10 14.756 3.864 2.163 1.00 1.11 C ATOM 155 O SER A 10 13.566 4.182 2.172 1.00 1.47 O ATOM 156 CB SER A 10 15.729 2.239 3.800 1.00 0.96 C ATOM 157 OG SER A 10 16.389 1.561 2.746 1.00 1.54 O ATOM 0 H SER A 10 14.573 3.791 5.332 1.00 1.35 H new ATOM 0 HA SER A 10 16.510 4.186 3.342 1.00 1.09 H new ATOM 0 HB2 SER A 10 16.310 2.143 4.718 1.00 0.96 H new ATOM 0 HB3 SER A 10 14.761 1.774 3.985 1.00 0.96 H new ATOM 0 HG SER A 10 16.503 0.617 2.985 1.00 1.54 H new ATOM 163 N GLN A 11 15.433 3.627 1.047 1.00 1.09 N ATOM 164 CA GLN A 11 14.809 3.738 -0.265 1.00 1.17 C ATOM 165 C GLN A 11 13.949 2.512 -0.569 1.00 0.87 C ATOM 166 O GLN A 11 12.788 2.638 -0.959 1.00 0.82 O ATOM 167 CB GLN A 11 15.879 3.910 -1.345 1.00 1.50 C ATOM 168 CG GLN A 11 15.309 4.099 -2.741 1.00 1.71 C ATOM 169 CD GLN A 11 16.388 4.225 -3.798 1.00 2.37 C ATOM 170 OE1 GLN A 11 16.858 5.323 -4.096 1.00 3.07 O ATOM 171 NE2 GLN A 11 16.784 3.097 -4.375 1.00 2.75 N ATOM 0 H GLN A 11 16.416 3.356 1.024 1.00 1.09 H new ATOM 0 HA GLN A 11 14.162 4.615 -0.260 1.00 1.17 H new ATOM 0 HB2 GLN A 11 16.500 4.770 -1.096 1.00 1.50 H new ATOM 0 HB3 GLN A 11 16.530 3.036 -1.343 1.00 1.50 H new ATOM 0 HG2 GLN A 11 14.664 3.254 -2.984 1.00 1.71 H new ATOM 0 HG3 GLN A 11 14.684 4.992 -2.757 1.00 1.71 H new ATOM 0 HE21 GLN A 11 16.367 2.208 -4.097 1.00 2.75 H new ATOM 0 HE22 GLN A 11 17.505 3.119 -5.096 1.00 2.75 H new ATOM 180 N GLU A 12 14.525 1.329 -0.385 1.00 0.84 N ATOM 181 CA GLU A 12 13.814 0.081 -0.648 1.00 0.83 C ATOM 182 C GLU A 12 12.574 -0.054 0.234 1.00 0.63 C ATOM 183 O GLU A 12 11.584 -0.663 -0.172 1.00 0.77 O ATOM 184 CB GLU A 12 14.741 -1.117 -0.425 1.00 1.10 C ATOM 185 CG GLU A 12 15.745 -1.333 -1.546 1.00 1.70 C ATOM 186 CD GLU A 12 16.676 -0.152 -1.736 1.00 2.48 C ATOM 187 OE1 GLU A 12 17.650 -0.035 -0.965 1.00 2.69 O ATOM 188 OE2 GLU A 12 16.431 0.655 -2.656 1.00 3.39 O ATOM 0 H GLU A 12 15.482 1.207 -0.055 1.00 0.84 H new ATOM 0 HA GLU A 12 13.491 0.100 -1.689 1.00 0.83 H new ATOM 0 HB2 GLU A 12 15.281 -0.977 0.512 1.00 1.10 H new ATOM 0 HB3 GLU A 12 14.136 -2.017 -0.313 1.00 1.10 H new ATOM 0 HG2 GLU A 12 16.335 -2.224 -1.332 1.00 1.70 H new ATOM 0 HG3 GLU A 12 15.209 -1.521 -2.476 1.00 1.70 H new ATOM 195 N GLU A 13 12.627 0.511 1.434 1.00 0.53 N ATOM 196 CA GLU A 13 11.502 0.433 2.361 1.00 0.58 C ATOM 197 C GLU A 13 10.357 1.348 1.940 1.00 0.52 C ATOM 198 O GLU A 13 9.210 0.914 1.861 1.00 0.57 O ATOM 199 CB GLU A 13 11.950 0.789 3.780 1.00 0.82 C ATOM 200 CG GLU A 13 13.072 -0.093 4.301 1.00 0.84 C ATOM 201 CD GLU A 13 12.643 -1.536 4.480 1.00 1.53 C ATOM 202 OE1 GLU A 13 12.144 -1.875 5.574 1.00 1.54 O ATOM 203 OE2 GLU A 13 12.804 -2.326 3.526 1.00 2.54 O ATOM 0 H GLU A 13 13.433 1.026 1.788 1.00 0.53 H new ATOM 0 HA GLU A 13 11.139 -0.595 2.342 1.00 0.58 H new ATOM 0 HB2 GLU A 13 12.277 1.829 3.799 1.00 0.82 H new ATOM 0 HB3 GLU A 13 11.096 0.711 4.452 1.00 0.82 H new ATOM 0 HG2 GLU A 13 13.913 -0.051 3.609 1.00 0.84 H new ATOM 0 HG3 GLU A 13 13.424 0.299 5.255 1.00 0.84 H new ATOM 210 N ARG A 14 10.678 2.610 1.664 1.00 0.48 N ATOM 211 CA ARG A 14 9.668 3.594 1.277 1.00 0.50 C ATOM 212 C ARG A 14 9.001 3.251 -0.053 1.00 0.40 C ATOM 213 O ARG A 14 7.798 3.417 -0.209 1.00 0.52 O ATOM 214 CB ARG A 14 10.288 4.993 1.200 1.00 0.58 C ATOM 215 CG ARG A 14 11.305 5.161 0.084 1.00 1.42 C ATOM 216 CD ARG A 14 11.917 6.551 0.107 1.00 1.47 C ATOM 217 NE ARG A 14 12.898 6.739 -0.958 1.00 2.39 N ATOM 218 CZ ARG A 14 13.675 7.815 -1.062 1.00 2.61 C ATOM 219 NH1 ARG A 14 13.590 8.790 -0.167 1.00 1.96 N ATOM 220 NH2 ARG A 14 14.541 7.913 -2.063 1.00 3.70 N ATOM 0 H ARG A 14 11.629 2.976 1.701 1.00 0.48 H new ATOM 0 HA ARG A 14 8.896 3.576 2.047 1.00 0.50 H new ATOM 0 HB2 ARG A 14 9.491 5.725 1.064 1.00 0.58 H new ATOM 0 HB3 ARG A 14 10.769 5.218 2.152 1.00 0.58 H new ATOM 0 HG2 ARG A 14 12.091 4.413 0.188 1.00 1.42 H new ATOM 0 HG3 ARG A 14 10.825 4.988 -0.879 1.00 1.42 H new ATOM 0 HD2 ARG A 14 11.127 7.296 0.007 1.00 1.47 H new ATOM 0 HD3 ARG A 14 12.394 6.720 1.072 1.00 1.47 H new ATOM 0 HE ARG A 14 12.993 6.006 -1.661 1.00 2.39 H new ATOM 0 HH11 ARG A 14 12.927 8.717 0.605 1.00 1.96 H new ATOM 0 HH12 ARG A 14 14.187 9.613 -0.251 1.00 1.96 H new ATOM 0 HH21 ARG A 14 14.611 7.164 -2.752 1.00 3.70 H new ATOM 0 HH22 ARG A 14 15.137 8.737 -2.143 1.00 3.70 H new ATOM 234 N ASP A 15 9.777 2.771 -1.007 1.00 0.30 N ATOM 235 CA ASP A 15 9.244 2.437 -2.325 1.00 0.37 C ATOM 236 C ASP A 15 8.195 1.328 -2.269 1.00 0.35 C ATOM 237 O ASP A 15 7.102 1.476 -2.814 1.00 0.47 O ATOM 238 CB ASP A 15 10.377 2.026 -3.265 1.00 0.47 C ATOM 239 CG ASP A 15 11.370 3.148 -3.502 1.00 0.64 C ATOM 240 OD1 ASP A 15 10.937 4.315 -3.598 1.00 0.93 O ATOM 241 OD2 ASP A 15 12.580 2.857 -3.598 1.00 0.71 O ATOM 0 H ASP A 15 10.777 2.602 -0.899 1.00 0.30 H new ATOM 0 HA ASP A 15 8.753 3.333 -2.704 1.00 0.37 H new ATOM 0 HB2 ASP A 15 10.899 1.166 -2.846 1.00 0.47 H new ATOM 0 HB3 ASP A 15 9.956 1.710 -4.219 1.00 0.47 H new ATOM 246 N LYS A 16 8.524 0.217 -1.614 1.00 0.30 N ATOM 247 CA LYS A 16 7.602 -0.910 -1.523 1.00 0.32 C ATOM 248 C LYS A 16 6.313 -0.543 -0.788 1.00 0.29 C ATOM 249 O LYS A 16 5.233 -0.996 -1.162 1.00 0.43 O ATOM 250 CB LYS A 16 8.272 -2.100 -0.836 1.00 0.35 C ATOM 251 CG LYS A 16 9.511 -2.601 -1.559 1.00 0.42 C ATOM 252 CD LYS A 16 9.646 -4.110 -1.445 1.00 0.45 C ATOM 253 CE LYS A 16 8.723 -4.827 -2.419 1.00 0.62 C ATOM 254 NZ LYS A 16 8.722 -6.300 -2.204 1.00 1.38 N ATOM 0 H LYS A 16 9.417 0.074 -1.142 1.00 0.30 H new ATOM 0 HA LYS A 16 7.335 -1.185 -2.543 1.00 0.32 H new ATOM 0 HB2 LYS A 16 8.545 -1.816 0.180 1.00 0.35 H new ATOM 0 HB3 LYS A 16 7.553 -2.915 -0.757 1.00 0.35 H new ATOM 0 HG2 LYS A 16 9.461 -2.317 -2.610 1.00 0.42 H new ATOM 0 HG3 LYS A 16 10.397 -2.122 -1.141 1.00 0.42 H new ATOM 0 HD2 LYS A 16 10.679 -4.400 -1.640 1.00 0.45 H new ATOM 0 HD3 LYS A 16 9.414 -4.421 -0.426 1.00 0.45 H new ATOM 0 HE2 LYS A 16 7.709 -4.443 -2.307 1.00 0.62 H new ATOM 0 HE3 LYS A 16 9.035 -4.610 -3.441 1.00 0.62 H new ATOM 0 HZ1 LYS A 16 8.081 -6.750 -2.888 1.00 1.38 H new ATOM 0 HZ2 LYS A 16 9.685 -6.671 -2.336 1.00 1.38 H new ATOM 0 HZ3 LYS A 16 8.400 -6.510 -1.238 1.00 1.38 H new ATOM 268 N VAL A 17 6.418 0.289 0.240 1.00 0.24 N ATOM 269 CA VAL A 17 5.257 0.684 1.006 1.00 0.23 C ATOM 270 C VAL A 17 4.454 1.753 0.278 1.00 0.27 C ATOM 271 O VAL A 17 3.228 1.771 0.347 1.00 0.36 O ATOM 272 CB VAL A 17 5.659 1.202 2.380 1.00 0.22 C ATOM 273 CG1 VAL A 17 6.206 0.077 3.243 1.00 1.27 C ATOM 274 CG2 VAL A 17 6.670 2.301 2.229 1.00 1.23 C ATOM 0 H VAL A 17 7.296 0.699 0.557 1.00 0.24 H new ATOM 0 HA VAL A 17 4.635 -0.203 1.128 1.00 0.23 H new ATOM 0 HB VAL A 17 4.776 1.602 2.879 1.00 0.22 H new ATOM 0 HG11 VAL A 17 6.487 0.471 4.220 1.00 1.27 H new ATOM 0 HG12 VAL A 17 5.442 -0.691 3.367 1.00 1.27 H new ATOM 0 HG13 VAL A 17 7.082 -0.358 2.762 1.00 1.27 H new ATOM 0 HG21 VAL A 17 6.956 2.670 3.214 1.00 1.23 H new ATOM 0 HG22 VAL A 17 7.551 1.917 1.715 1.00 1.23 H new ATOM 0 HG23 VAL A 17 6.238 3.116 1.648 1.00 1.23 H new ATOM 284 N ASN A 18 5.151 2.651 -0.410 1.00 0.27 N ATOM 285 CA ASN A 18 4.492 3.712 -1.166 1.00 0.32 C ATOM 286 C ASN A 18 3.573 3.098 -2.213 1.00 0.27 C ATOM 287 O ASN A 18 2.492 3.619 -2.494 1.00 0.25 O ATOM 288 CB ASN A 18 5.526 4.615 -1.846 1.00 0.39 C ATOM 289 CG ASN A 18 6.153 5.623 -0.900 1.00 0.44 C ATOM 290 OD1 ASN A 18 6.265 5.259 0.372 1.00 0.77 O flip ATOM 291 ND2 ASN A 18 6.535 6.718 -1.309 1.00 0.22 N flip ATOM 0 H ASN A 18 6.170 2.666 -0.460 1.00 0.27 H new ATOM 0 HA ASN A 18 3.905 4.319 -0.477 1.00 0.32 H new ATOM 0 HB2 ASN A 18 6.311 3.995 -2.279 1.00 0.39 H new ATOM 0 HB3 ASN A 18 5.049 5.147 -2.669 1.00 0.39 H new ATOM 0 HD21 ASN A 18 6.431 6.959 -2.295 1.00 0.22 H new ATOM 0 HD22 ASN A 18 6.956 7.385 -0.663 1.00 0.22 H new ATOM 298 N VAL A 19 4.014 1.984 -2.783 1.00 0.33 N ATOM 299 CA VAL A 19 3.233 1.279 -3.785 1.00 0.32 C ATOM 300 C VAL A 19 2.223 0.367 -3.094 1.00 0.33 C ATOM 301 O VAL A 19 1.197 0.000 -3.666 1.00 0.32 O ATOM 302 CB VAL A 19 4.144 0.455 -4.729 1.00 0.34 C ATOM 303 CG1 VAL A 19 4.225 -1.002 -4.298 1.00 0.40 C ATOM 304 CG2 VAL A 19 3.664 0.574 -6.167 1.00 0.32 C ATOM 0 H VAL A 19 4.911 1.550 -2.566 1.00 0.33 H new ATOM 0 HA VAL A 19 2.704 2.013 -4.393 1.00 0.32 H new ATOM 0 HB VAL A 19 5.151 0.867 -4.666 1.00 0.34 H new ATOM 0 HG11 VAL A 19 4.873 -1.549 -4.983 1.00 0.40 H new ATOM 0 HG12 VAL A 19 4.633 -1.061 -3.289 1.00 0.40 H new ATOM 0 HG13 VAL A 19 3.228 -1.442 -4.312 1.00 0.40 H new ATOM 0 HG21 VAL A 19 4.315 -0.011 -6.817 1.00 0.32 H new ATOM 0 HG22 VAL A 19 2.644 0.198 -6.242 1.00 0.32 H new ATOM 0 HG23 VAL A 19 3.689 1.620 -6.474 1.00 0.32 H new ATOM 314 N ASP A 20 2.539 0.012 -1.850 1.00 0.37 N ATOM 315 CA ASP A 20 1.673 -0.841 -1.046 1.00 0.40 C ATOM 316 C ASP A 20 0.422 -0.076 -0.644 1.00 0.40 C ATOM 317 O ASP A 20 -0.698 -0.582 -0.752 1.00 0.41 O ATOM 318 CB ASP A 20 2.412 -1.327 0.202 1.00 0.46 C ATOM 319 CG ASP A 20 1.568 -2.264 1.045 1.00 0.62 C ATOM 320 OD1 ASP A 20 0.755 -1.768 1.850 1.00 0.82 O ATOM 321 OD2 ASP A 20 1.722 -3.494 0.897 1.00 0.84 O ATOM 0 H ASP A 20 3.394 0.305 -1.377 1.00 0.37 H new ATOM 0 HA ASP A 20 1.387 -1.708 -1.641 1.00 0.40 H new ATOM 0 HB2 ASP A 20 3.328 -1.837 -0.097 1.00 0.46 H new ATOM 0 HB3 ASP A 20 2.707 -0.468 0.804 1.00 0.46 H new ATOM 326 N LEU A 21 0.624 1.153 -0.184 1.00 0.40 N ATOM 327 CA LEU A 21 -0.475 2.004 0.225 1.00 0.43 C ATOM 328 C LEU A 21 -1.260 2.423 -1.000 1.00 0.30 C ATOM 329 O LEU A 21 -2.460 2.692 -0.930 1.00 0.31 O ATOM 330 CB LEU A 21 0.049 3.232 0.974 1.00 0.57 C ATOM 331 CG LEU A 21 1.086 4.075 0.225 1.00 0.67 C ATOM 332 CD1 LEU A 21 0.410 5.102 -0.667 1.00 0.73 C ATOM 333 CD2 LEU A 21 2.019 4.759 1.211 1.00 1.07 C ATOM 0 H LEU A 21 1.545 1.580 -0.086 1.00 0.40 H new ATOM 0 HA LEU A 21 -1.129 1.452 0.901 1.00 0.43 H new ATOM 0 HB2 LEU A 21 -0.798 3.870 1.225 1.00 0.57 H new ATOM 0 HB3 LEU A 21 0.488 2.901 1.915 1.00 0.57 H new ATOM 0 HG LEU A 21 1.672 3.411 -0.410 1.00 0.67 H new ATOM 0 HD11 LEU A 21 1.168 5.687 -1.187 1.00 0.73 H new ATOM 0 HD12 LEU A 21 -0.219 4.592 -1.397 1.00 0.73 H new ATOM 0 HD13 LEU A 21 -0.205 5.765 -0.058 1.00 0.73 H new ATOM 0 HD21 LEU A 21 2.751 5.355 0.666 1.00 1.07 H new ATOM 0 HD22 LEU A 21 1.441 5.408 1.869 1.00 1.07 H new ATOM 0 HD23 LEU A 21 2.535 4.006 1.806 1.00 1.07 H new ATOM 345 N ALA A 22 -0.560 2.471 -2.124 1.00 0.24 N ATOM 346 CA ALA A 22 -1.167 2.833 -3.388 1.00 0.23 C ATOM 347 C ALA A 22 -2.232 1.814 -3.763 1.00 0.26 C ATOM 348 O ALA A 22 -3.357 2.170 -4.110 1.00 0.39 O ATOM 349 CB ALA A 22 -0.105 2.918 -4.470 1.00 0.26 C ATOM 0 H ALA A 22 0.437 2.261 -2.182 1.00 0.24 H new ATOM 0 HA ALA A 22 -1.640 3.810 -3.290 1.00 0.23 H new ATOM 0 HB1 ALA A 22 -0.571 3.191 -5.417 1.00 0.26 H new ATOM 0 HB2 ALA A 22 0.632 3.673 -4.198 1.00 0.26 H new ATOM 0 HB3 ALA A 22 0.387 1.951 -4.573 1.00 0.26 H new ATOM 355 N ALA A 23 -1.857 0.545 -3.686 1.00 0.26 N ATOM 356 CA ALA A 23 -2.769 -0.544 -3.998 1.00 0.38 C ATOM 357 C ALA A 23 -3.985 -0.493 -3.087 1.00 0.36 C ATOM 358 O ALA A 23 -5.079 -0.920 -3.458 1.00 0.58 O ATOM 359 CB ALA A 23 -2.059 -1.881 -3.857 1.00 0.49 C ATOM 0 H ALA A 23 -0.923 0.244 -3.409 1.00 0.26 H new ATOM 0 HA ALA A 23 -3.104 -0.434 -5.029 1.00 0.38 H new ATOM 0 HB1 ALA A 23 -2.753 -2.688 -4.093 1.00 0.49 H new ATOM 0 HB2 ALA A 23 -1.213 -1.918 -4.543 1.00 0.49 H new ATOM 0 HB3 ALA A 23 -1.702 -1.997 -2.834 1.00 0.49 H new ATOM 365 N SER A 24 -3.779 0.040 -1.888 1.00 0.30 N ATOM 366 CA SER A 24 -4.851 0.156 -0.908 1.00 0.33 C ATOM 367 C SER A 24 -5.851 1.232 -1.309 1.00 0.27 C ATOM 368 O SER A 24 -7.039 0.965 -1.448 1.00 0.33 O ATOM 369 CB SER A 24 -4.285 0.482 0.473 1.00 0.43 C ATOM 370 OG SER A 24 -5.224 0.182 1.493 1.00 1.36 O ATOM 0 H SER A 24 -2.878 0.399 -1.572 1.00 0.30 H new ATOM 0 HA SER A 24 -5.365 -0.805 -0.871 1.00 0.33 H new ATOM 0 HB2 SER A 24 -3.370 -0.087 0.638 1.00 0.43 H new ATOM 0 HB3 SER A 24 -4.017 1.538 0.520 1.00 0.43 H new ATOM 0 HG SER A 24 -5.206 -0.779 1.682 1.00 1.36 H new ATOM 376 N GLY A 25 -5.364 2.445 -1.530 1.00 0.27 N ATOM 377 CA GLY A 25 -6.251 3.530 -1.885 1.00 0.34 C ATOM 378 C GLY A 25 -7.065 3.233 -3.126 1.00 0.33 C ATOM 379 O GLY A 25 -8.269 3.468 -3.155 1.00 0.43 O ATOM 0 H GLY A 25 -4.377 2.695 -1.470 1.00 0.27 H new ATOM 0 HA2 GLY A 25 -6.925 3.731 -1.052 1.00 0.34 H new ATOM 0 HA3 GLY A 25 -5.666 4.435 -2.047 1.00 0.34 H new ATOM 383 N VAL A 26 -6.410 2.691 -4.141 1.00 0.29 N ATOM 384 CA VAL A 26 -7.077 2.382 -5.398 1.00 0.37 C ATOM 385 C VAL A 26 -8.308 1.489 -5.211 1.00 0.44 C ATOM 386 O VAL A 26 -9.423 1.892 -5.539 1.00 0.53 O ATOM 387 CB VAL A 26 -6.105 1.707 -6.387 1.00 0.44 C ATOM 388 CG1 VAL A 26 -6.840 1.234 -7.633 1.00 1.26 C ATOM 389 CG2 VAL A 26 -4.978 2.661 -6.759 1.00 1.09 C ATOM 0 H VAL A 26 -5.418 2.456 -4.120 1.00 0.29 H new ATOM 0 HA VAL A 26 -7.413 3.336 -5.804 1.00 0.37 H new ATOM 0 HB VAL A 26 -5.673 0.834 -5.898 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -6.133 0.761 -8.315 1.00 1.26 H new ATOM 0 HG12 VAL A 26 -7.608 0.514 -7.351 1.00 1.26 H new ATOM 0 HG13 VAL A 26 -7.306 2.087 -8.127 1.00 1.26 H new ATOM 0 HG21 VAL A 26 -4.301 2.169 -7.457 1.00 1.09 H new ATOM 0 HG22 VAL A 26 -5.396 3.553 -7.226 1.00 1.09 H new ATOM 0 HG23 VAL A 26 -4.430 2.944 -5.861 1.00 1.09 H new ATOM 399 N ALA A 27 -8.105 0.282 -4.684 1.00 0.44 N ATOM 400 CA ALA A 27 -9.210 -0.660 -4.496 1.00 0.54 C ATOM 401 C ALA A 27 -9.908 -0.523 -3.141 1.00 0.51 C ATOM 402 O ALA A 27 -11.113 -0.294 -3.079 1.00 0.59 O ATOM 403 CB ALA A 27 -8.713 -2.086 -4.680 1.00 0.61 C ATOM 0 H ALA A 27 -7.195 -0.065 -4.382 1.00 0.44 H new ATOM 0 HA ALA A 27 -9.955 -0.416 -5.254 1.00 0.54 H new ATOM 0 HB1 ALA A 27 -9.541 -2.781 -4.539 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -8.308 -2.203 -5.685 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -7.933 -2.297 -3.948 1.00 0.61 H new ATOM 409 N TYR A 28 -9.142 -0.651 -2.061 1.00 0.42 N ATOM 410 CA TYR A 28 -9.688 -0.588 -0.701 1.00 0.43 C ATOM 411 C TYR A 28 -10.659 0.578 -0.510 1.00 0.49 C ATOM 412 O TYR A 28 -11.674 0.435 0.170 1.00 0.72 O ATOM 413 CB TYR A 28 -8.548 -0.485 0.320 1.00 0.37 C ATOM 414 CG TYR A 28 -8.605 -1.490 1.455 1.00 0.44 C ATOM 415 CD1 TYR A 28 -9.189 -2.742 1.294 1.00 0.49 C ATOM 416 CD2 TYR A 28 -8.052 -1.181 2.692 1.00 0.54 C ATOM 417 CE1 TYR A 28 -9.223 -3.653 2.333 1.00 0.59 C ATOM 418 CE2 TYR A 28 -8.079 -2.087 3.732 1.00 0.64 C ATOM 419 CZ TYR A 28 -8.666 -3.320 3.549 1.00 0.63 C ATOM 420 OH TYR A 28 -8.694 -4.225 4.586 1.00 0.77 O ATOM 0 H TYR A 28 -8.134 -0.800 -2.098 1.00 0.42 H new ATOM 0 HA TYR A 28 -10.250 -1.508 -0.541 1.00 0.43 H new ATOM 0 HB2 TYR A 28 -7.600 -0.606 -0.204 1.00 0.37 H new ATOM 0 HB3 TYR A 28 -8.551 0.519 0.744 1.00 0.37 H new ATOM 0 HD1 TYR A 28 -9.623 -3.007 0.341 1.00 0.49 H new ATOM 0 HD2 TYR A 28 -7.593 -0.215 2.842 1.00 0.54 H new ATOM 0 HE1 TYR A 28 -9.683 -4.620 2.193 1.00 0.59 H new ATOM 0 HE2 TYR A 28 -7.642 -1.831 4.686 1.00 0.64 H new ATOM 0 HH TYR A 28 -8.259 -3.835 5.373 1.00 0.77 H new ATOM 430 N LYS A 29 -10.358 1.726 -1.105 1.00 0.37 N ATOM 431 CA LYS A 29 -11.219 2.899 -0.956 1.00 0.40 C ATOM 432 C LYS A 29 -12.514 2.786 -1.759 1.00 0.48 C ATOM 433 O LYS A 29 -13.587 3.128 -1.258 1.00 0.55 O ATOM 434 CB LYS A 29 -10.462 4.165 -1.367 1.00 0.40 C ATOM 435 CG LYS A 29 -11.342 5.396 -1.530 1.00 0.50 C ATOM 436 CD LYS A 29 -11.713 5.631 -2.987 1.00 1.23 C ATOM 437 CE LYS A 29 -12.557 6.885 -3.149 1.00 1.67 C ATOM 438 NZ LYS A 29 -12.886 7.153 -4.575 1.00 2.30 N ATOM 0 H LYS A 29 -9.535 1.872 -1.689 1.00 0.37 H new ATOM 0 HA LYS A 29 -11.496 2.957 0.097 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -9.697 4.376 -0.619 1.00 0.40 H new ATOM 0 HB3 LYS A 29 -9.945 3.976 -2.307 1.00 0.40 H new ATOM 0 HG2 LYS A 29 -12.249 5.276 -0.938 1.00 0.50 H new ATOM 0 HG3 LYS A 29 -10.821 6.271 -1.141 1.00 0.50 H new ATOM 0 HD2 LYS A 29 -10.806 5.721 -3.585 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -12.262 4.770 -3.368 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -13.479 6.778 -2.578 1.00 1.67 H new ATOM 0 HE3 LYS A 29 -12.022 7.739 -2.733 1.00 1.67 H new ATOM 0 HZ1 LYS A 29 -13.462 8.016 -4.642 1.00 2.30 H new ATOM 0 HZ2 LYS A 29 -12.007 7.281 -5.116 1.00 2.30 H new ATOM 0 HZ3 LYS A 29 -13.419 6.350 -4.965 1.00 2.30 H new ATOM 452 N GLU A 30 -12.421 2.312 -2.995 1.00 0.51 N ATOM 453 CA GLU A 30 -13.597 2.202 -3.852 1.00 0.60 C ATOM 454 C GLU A 30 -14.505 1.047 -3.441 1.00 0.72 C ATOM 455 O GLU A 30 -15.712 1.088 -3.676 1.00 0.99 O ATOM 456 CB GLU A 30 -13.173 2.035 -5.311 1.00 0.77 C ATOM 457 CG GLU A 30 -13.900 2.965 -6.264 1.00 1.20 C ATOM 458 CD GLU A 30 -15.406 2.781 -6.228 1.00 1.95 C ATOM 459 OE1 GLU A 30 -16.064 3.436 -5.393 1.00 2.35 O ATOM 460 OE2 GLU A 30 -15.925 1.981 -7.034 1.00 2.65 O ATOM 0 H GLU A 30 -11.551 1.999 -3.425 1.00 0.51 H new ATOM 0 HA GLU A 30 -14.166 3.125 -3.738 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -12.100 2.211 -5.392 1.00 0.77 H new ATOM 0 HB3 GLU A 30 -13.350 1.004 -5.617 1.00 0.77 H new ATOM 0 HG2 GLU A 30 -13.658 3.998 -6.012 1.00 1.20 H new ATOM 0 HG3 GLU A 30 -13.541 2.792 -7.279 1.00 1.20 H new ATOM 467 N ARG A 31 -13.928 0.018 -2.830 1.00 0.67 N ATOM 468 CA ARG A 31 -14.704 -1.140 -2.407 1.00 0.85 C ATOM 469 C ARG A 31 -15.485 -0.859 -1.127 1.00 0.86 C ATOM 470 O ARG A 31 -16.713 -0.772 -1.151 1.00 1.62 O ATOM 471 CB ARG A 31 -13.791 -2.352 -2.215 1.00 0.91 C ATOM 472 CG ARG A 31 -12.929 -2.669 -3.430 1.00 1.48 C ATOM 473 CD ARG A 31 -13.755 -3.172 -4.604 1.00 1.55 C ATOM 474 NE ARG A 31 -14.497 -2.099 -5.262 1.00 1.36 N ATOM 475 CZ ARG A 31 -14.597 -1.970 -6.582 1.00 1.60 C ATOM 476 NH1 ARG A 31 -14.009 -2.846 -7.386 1.00 2.36 N ATOM 477 NH2 ARG A 31 -15.289 -0.964 -7.100 1.00 1.64 N ATOM 0 H ARG A 31 -12.932 -0.037 -2.618 1.00 0.67 H new ATOM 0 HA ARG A 31 -15.425 -1.358 -3.194 1.00 0.85 H new ATOM 0 HB2 ARG A 31 -13.143 -2.175 -1.357 1.00 0.91 H new ATOM 0 HB3 ARG A 31 -14.403 -3.222 -1.978 1.00 0.91 H new ATOM 0 HG2 ARG A 31 -12.382 -1.775 -3.729 1.00 1.48 H new ATOM 0 HG3 ARG A 31 -12.187 -3.421 -3.161 1.00 1.48 H new ATOM 0 HD2 ARG A 31 -13.097 -3.653 -5.328 1.00 1.55 H new ATOM 0 HD3 ARG A 31 -14.454 -3.932 -4.254 1.00 1.55 H new ATOM 0 HE ARG A 31 -14.965 -1.409 -4.675 1.00 1.36 H new ATOM 0 HH11 ARG A 31 -13.477 -3.623 -6.993 1.00 2.36 H new ATOM 0 HH12 ARG A 31 -14.088 -2.743 -8.398 1.00 2.36 H new ATOM 0 HH21 ARG A 31 -15.745 -0.289 -6.486 1.00 1.64 H new ATOM 0 HH22 ARG A 31 -15.365 -0.865 -8.112 1.00 1.64 H new ATOM 491 N LEU A 32 -14.775 -0.716 -0.010 1.00 0.89 N ATOM 492 CA LEU A 32 -15.417 -0.463 1.268 1.00 0.81 C ATOM 493 C LEU A 32 -15.834 1.006 1.407 1.00 0.96 C ATOM 494 O LEU A 32 -16.966 1.363 1.079 1.00 1.34 O ATOM 495 CB LEU A 32 -14.487 -0.877 2.416 1.00 0.66 C ATOM 496 CG LEU A 32 -13.777 -2.233 2.263 1.00 0.62 C ATOM 497 CD1 LEU A 32 -14.590 -3.219 1.440 1.00 0.57 C ATOM 498 CD2 LEU A 32 -12.399 -2.050 1.648 1.00 0.84 C ATOM 0 H LEU A 32 -13.757 -0.772 0.031 1.00 0.89 H new ATOM 0 HA LEU A 32 -16.325 -1.064 1.316 1.00 0.81 H new ATOM 0 HB2 LEU A 32 -13.727 -0.105 2.536 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -15.069 -0.898 3.337 1.00 0.66 H new ATOM 0 HG LEU A 32 -13.671 -2.651 3.264 1.00 0.62 H new ATOM 0 HD11 LEU A 32 -14.047 -4.161 1.360 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -15.550 -3.393 1.926 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -14.756 -2.811 0.443 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -11.913 -3.021 1.548 1.00 0.84 H new ATOM 0 HD22 LEU A 32 -12.498 -1.591 0.664 1.00 0.84 H new ATOM 0 HD23 LEU A 32 -11.797 -1.407 2.290 1.00 0.84 H new ATOM 510 N ASN A 33 -14.916 1.853 1.880 1.00 1.19 N ATOM 511 CA ASN A 33 -15.194 3.267 2.070 1.00 1.38 C ATOM 512 C ASN A 33 -13.980 3.978 2.661 1.00 1.19 C ATOM 513 O ASN A 33 -14.104 5.061 3.236 1.00 1.59 O ATOM 514 CB ASN A 33 -16.390 3.444 3.001 1.00 1.78 C ATOM 515 CG ASN A 33 -16.356 2.487 4.177 1.00 2.08 C ATOM 516 OD1 ASN A 33 -17.531 2.101 4.660 1.00 2.08 O flip ATOM 517 ND2 ASN A 33 -15.286 2.100 4.648 1.00 3.05 N flip ATOM 0 H ASN A 33 -13.969 1.575 2.138 1.00 1.19 H new ATOM 0 HA ASN A 33 -15.422 3.705 1.098 1.00 1.38 H new ATOM 0 HB2 ASN A 33 -16.410 4.469 3.371 1.00 1.78 H new ATOM 0 HB3 ASN A 33 -17.311 3.290 2.438 1.00 1.78 H new ATOM 0 HD21 ASN A 33 -14.406 2.422 4.246 1.00 3.05 H new ATOM 0 HD22 ASN A 33 -15.280 1.458 5.440 1.00 3.05 H new ATOM 524 N ILE A 34 -12.808 3.363 2.516 1.00 0.75 N ATOM 525 CA ILE A 34 -11.571 3.938 3.041 1.00 0.62 C ATOM 526 C ILE A 34 -11.385 5.361 2.515 1.00 0.54 C ATOM 527 O ILE A 34 -11.408 5.589 1.309 1.00 0.68 O ATOM 528 CB ILE A 34 -10.348 3.060 2.670 1.00 0.56 C ATOM 529 CG1 ILE A 34 -10.310 1.797 3.540 1.00 0.64 C ATOM 530 CG2 ILE A 34 -9.046 3.834 2.816 1.00 0.64 C ATOM 531 CD1 ILE A 34 -11.535 0.917 3.404 1.00 0.65 C ATOM 0 H ILE A 34 -12.689 2.469 2.040 1.00 0.75 H new ATOM 0 HA ILE A 34 -11.645 3.971 4.128 1.00 0.62 H new ATOM 0 HB ILE A 34 -10.454 2.769 1.625 1.00 0.56 H new ATOM 0 HG12 ILE A 34 -9.426 1.215 3.278 1.00 0.64 H new ATOM 0 HG13 ILE A 34 -10.201 2.091 4.584 1.00 0.64 H new ATOM 0 HG21 ILE A 34 -8.208 3.190 2.548 1.00 0.64 H new ATOM 0 HG22 ILE A 34 -9.062 4.701 2.156 1.00 0.64 H new ATOM 0 HG23 ILE A 34 -8.934 4.166 3.848 1.00 0.64 H new ATOM 0 HD11 ILE A 34 -11.431 0.046 4.051 1.00 0.65 H new ATOM 0 HD12 ILE A 34 -12.422 1.480 3.695 1.00 0.65 H new ATOM 0 HD13 ILE A 34 -11.636 0.591 2.369 1.00 0.65 H new ATOM 543 N PRO A 35 -11.204 6.343 3.422 1.00 0.46 N ATOM 544 CA PRO A 35 -11.059 7.753 3.045 1.00 0.49 C ATOM 545 C PRO A 35 -9.672 8.119 2.530 1.00 0.51 C ATOM 546 O PRO A 35 -8.816 8.563 3.295 1.00 0.56 O ATOM 547 CB PRO A 35 -11.334 8.474 4.360 1.00 0.58 C ATOM 548 CG PRO A 35 -10.797 7.544 5.389 1.00 0.62 C ATOM 549 CD PRO A 35 -11.119 6.163 4.888 1.00 0.56 C ATOM 0 HA PRO A 35 -11.724 8.015 2.222 1.00 0.49 H new ATOM 0 HB2 PRO A 35 -10.837 9.443 4.397 1.00 0.58 H new ATOM 0 HB3 PRO A 35 -12.399 8.657 4.502 1.00 0.58 H new ATOM 0 HG2 PRO A 35 -9.722 7.675 5.514 1.00 0.62 H new ATOM 0 HG3 PRO A 35 -11.256 7.726 6.361 1.00 0.62 H new ATOM 0 HD2 PRO A 35 -10.345 5.446 5.161 1.00 0.56 H new ATOM 0 HD3 PRO A 35 -12.057 5.793 5.303 1.00 0.56 H new ATOM 557 N VAL A 36 -9.462 7.941 1.229 1.00 0.54 N ATOM 558 CA VAL A 36 -8.189 8.263 0.591 1.00 0.59 C ATOM 559 C VAL A 36 -8.422 8.548 -0.888 1.00 0.57 C ATOM 560 O VAL A 36 -9.461 8.180 -1.435 1.00 0.58 O ATOM 561 CB VAL A 36 -7.160 7.122 0.736 1.00 0.61 C ATOM 562 CG1 VAL A 36 -6.783 6.905 2.194 1.00 1.14 C ATOM 563 CG2 VAL A 36 -7.707 5.849 0.124 1.00 0.88 C ATOM 0 H VAL A 36 -10.166 7.571 0.590 1.00 0.54 H new ATOM 0 HA VAL A 36 -7.782 9.142 1.091 1.00 0.59 H new ATOM 0 HB VAL A 36 -6.253 7.405 0.201 1.00 0.61 H new ATOM 0 HG11 VAL A 36 -6.057 6.095 2.265 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -6.348 7.819 2.597 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -7.674 6.645 2.765 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -6.974 5.050 0.231 1.00 0.88 H new ATOM 0 HG22 VAL A 36 -8.628 5.567 0.634 1.00 0.88 H new ATOM 0 HG23 VAL A 36 -7.913 6.013 -0.934 1.00 0.88 H new ATOM 573 N ILE A 37 -7.465 9.201 -1.535 1.00 0.60 N ATOM 574 CA ILE A 37 -7.604 9.525 -2.949 1.00 0.64 C ATOM 575 C ILE A 37 -6.810 8.550 -3.813 1.00 0.59 C ATOM 576 O ILE A 37 -5.620 8.328 -3.589 1.00 0.57 O ATOM 577 CB ILE A 37 -7.151 10.967 -3.243 1.00 0.77 C ATOM 578 CG1 ILE A 37 -7.879 11.960 -2.329 1.00 0.87 C ATOM 579 CG2 ILE A 37 -7.388 11.314 -4.707 1.00 0.85 C ATOM 580 CD1 ILE A 37 -9.389 11.925 -2.459 1.00 0.90 C ATOM 0 H ILE A 37 -6.593 9.514 -1.109 1.00 0.60 H new ATOM 0 HA ILE A 37 -8.662 9.438 -3.197 1.00 0.64 H new ATOM 0 HB ILE A 37 -6.082 11.038 -3.042 1.00 0.77 H new ATOM 0 HG12 ILE A 37 -7.609 11.751 -1.294 1.00 0.87 H new ATOM 0 HG13 ILE A 37 -7.529 12.968 -2.552 1.00 0.87 H new ATOM 0 HG21 ILE A 37 -7.062 12.337 -4.896 1.00 0.85 H new ATOM 0 HG22 ILE A 37 -6.822 10.630 -5.339 1.00 0.85 H new ATOM 0 HG23 ILE A 37 -8.450 11.224 -4.935 1.00 0.85 H new ATOM 0 HD11 ILE A 37 -9.830 12.655 -1.781 1.00 0.90 H new ATOM 0 HD12 ILE A 37 -9.672 12.165 -3.484 1.00 0.90 H new ATOM 0 HD13 ILE A 37 -9.753 10.929 -2.206 1.00 0.90 H new ATOM 592 N ALA A 38 -7.485 7.972 -4.799 1.00 0.59 N ATOM 593 CA ALA A 38 -6.871 6.999 -5.701 1.00 0.61 C ATOM 594 C ALA A 38 -5.769 7.609 -6.568 1.00 0.57 C ATOM 595 O ALA A 38 -4.717 7.002 -6.756 1.00 0.64 O ATOM 596 CB ALA A 38 -7.934 6.358 -6.580 1.00 0.67 C ATOM 0 H ALA A 38 -8.467 8.161 -4.997 1.00 0.59 H new ATOM 0 HA ALA A 38 -6.400 6.239 -5.077 1.00 0.61 H new ATOM 0 HB1 ALA A 38 -7.466 5.635 -7.248 1.00 0.67 H new ATOM 0 HB2 ALA A 38 -8.667 5.851 -5.953 1.00 0.67 H new ATOM 0 HB3 ALA A 38 -8.431 7.128 -7.170 1.00 0.67 H new ATOM 602 N GLU A 39 -6.008 8.803 -7.103 1.00 0.51 N ATOM 603 CA GLU A 39 -5.016 9.455 -7.956 1.00 0.57 C ATOM 604 C GLU A 39 -3.851 9.998 -7.136 1.00 0.47 C ATOM 605 O GLU A 39 -2.777 10.268 -7.672 1.00 0.50 O ATOM 606 CB GLU A 39 -5.658 10.575 -8.774 1.00 0.76 C ATOM 607 CG GLU A 39 -6.466 11.557 -7.943 1.00 0.57 C ATOM 608 CD GLU A 39 -7.136 12.623 -8.788 1.00 0.94 C ATOM 609 OE1 GLU A 39 -8.227 12.352 -9.332 1.00 1.23 O ATOM 610 OE2 GLU A 39 -6.570 13.730 -8.907 1.00 1.28 O ATOM 0 H GLU A 39 -6.868 9.334 -6.964 1.00 0.51 H new ATOM 0 HA GLU A 39 -4.625 8.703 -8.641 1.00 0.57 H new ATOM 0 HB2 GLU A 39 -4.876 11.119 -9.304 1.00 0.76 H new ATOM 0 HB3 GLU A 39 -6.307 10.133 -9.530 1.00 0.76 H new ATOM 0 HG2 GLU A 39 -7.226 11.013 -7.381 1.00 0.57 H new ATOM 0 HG3 GLU A 39 -5.812 12.035 -7.214 1.00 0.57 H new ATOM 617 N GLN A 40 -4.071 10.159 -5.837 1.00 0.43 N ATOM 618 CA GLN A 40 -3.026 10.652 -4.948 1.00 0.45 C ATOM 619 C GLN A 40 -1.863 9.677 -4.926 1.00 0.37 C ATOM 620 O GLN A 40 -0.701 10.077 -4.878 1.00 0.47 O ATOM 621 CB GLN A 40 -3.556 10.821 -3.530 1.00 0.55 C ATOM 622 CG GLN A 40 -3.214 12.164 -2.910 1.00 0.49 C ATOM 623 CD GLN A 40 -3.085 12.095 -1.401 1.00 0.48 C ATOM 624 OE1 GLN A 40 -2.002 11.848 -0.870 1.00 0.75 O ATOM 625 NE2 GLN A 40 -4.191 12.311 -0.699 1.00 0.75 N ATOM 0 H GLN A 40 -4.959 9.957 -5.377 1.00 0.43 H new ATOM 0 HA GLN A 40 -2.694 11.620 -5.322 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -4.639 10.700 -3.539 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -3.151 10.027 -2.903 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -2.278 12.528 -3.334 1.00 0.49 H new ATOM 0 HG3 GLN A 40 -3.986 12.888 -3.172 1.00 0.49 H new ATOM 0 HE21 GLN A 40 -5.068 12.513 -1.179 1.00 0.75 H new ATOM 0 HE22 GLN A 40 -4.163 12.275 0.320 1.00 0.75 H new ATOM 634 N VAL A 41 -2.196 8.392 -4.959 1.00 0.31 N ATOM 635 CA VAL A 41 -1.196 7.339 -4.938 1.00 0.31 C ATOM 636 C VAL A 41 -0.725 7.010 -6.351 1.00 0.33 C ATOM 637 O VAL A 41 0.349 6.440 -6.545 1.00 0.43 O ATOM 638 CB VAL A 41 -1.749 6.061 -4.277 1.00 0.31 C ATOM 639 CG1 VAL A 41 -2.521 6.398 -3.008 1.00 0.31 C ATOM 640 CG2 VAL A 41 -2.629 5.287 -5.245 1.00 0.35 C ATOM 0 H VAL A 41 -3.158 8.056 -5.001 1.00 0.31 H new ATOM 0 HA VAL A 41 -0.352 7.704 -4.353 1.00 0.31 H new ATOM 0 HB VAL A 41 -0.902 5.431 -4.006 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -2.902 5.481 -2.559 1.00 0.31 H new ATOM 0 HG12 VAL A 41 -1.859 6.900 -2.302 1.00 0.31 H new ATOM 0 HG13 VAL A 41 -3.355 7.055 -3.253 1.00 0.31 H new ATOM 0 HG21 VAL A 41 -3.007 4.390 -4.755 1.00 0.35 H new ATOM 0 HG22 VAL A 41 -3.467 5.912 -5.554 1.00 0.35 H new ATOM 0 HG23 VAL A 41 -2.045 5.004 -6.121 1.00 0.35 H new ATOM 650 N ALA A 42 -1.542 7.381 -7.333 1.00 0.34 N ATOM 651 CA ALA A 42 -1.234 7.118 -8.733 1.00 0.44 C ATOM 652 C ALA A 42 -0.015 7.903 -9.211 1.00 0.57 C ATOM 653 O ALA A 42 0.700 7.462 -10.111 1.00 0.77 O ATOM 654 CB ALA A 42 -2.440 7.443 -9.599 1.00 0.42 C ATOM 0 H ALA A 42 -2.426 7.867 -7.182 1.00 0.34 H new ATOM 0 HA ALA A 42 -0.993 6.059 -8.824 1.00 0.44 H new ATOM 0 HB1 ALA A 42 -2.202 7.244 -10.644 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -3.284 6.824 -9.295 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -2.700 8.495 -9.480 1.00 0.42 H new ATOM 660 N ARG A 43 0.220 9.063 -8.605 1.00 0.49 N ATOM 661 CA ARG A 43 1.346 9.912 -8.993 1.00 0.61 C ATOM 662 C ARG A 43 2.612 9.574 -8.208 1.00 0.69 C ATOM 663 O ARG A 43 3.689 10.091 -8.504 1.00 0.81 O ATOM 664 CB ARG A 43 0.980 11.386 -8.793 1.00 0.60 C ATOM 665 CG ARG A 43 0.534 11.725 -7.379 1.00 0.85 C ATOM 666 CD ARG A 43 1.706 12.151 -6.508 1.00 0.68 C ATOM 667 NE ARG A 43 2.400 13.312 -7.060 1.00 1.29 N ATOM 668 CZ ARG A 43 3.320 14.007 -6.397 1.00 1.91 C ATOM 669 NH1 ARG A 43 3.655 13.664 -5.162 1.00 2.11 N ATOM 670 NH2 ARG A 43 3.906 15.048 -6.973 1.00 2.62 N ATOM 0 H ARG A 43 -0.350 9.437 -7.847 1.00 0.49 H new ATOM 0 HA ARG A 43 1.554 9.726 -10.047 1.00 0.61 H new ATOM 0 HB2 ARG A 43 1.842 12.002 -9.049 1.00 0.60 H new ATOM 0 HB3 ARG A 43 0.183 11.649 -9.488 1.00 0.60 H new ATOM 0 HG2 ARG A 43 -0.205 12.526 -7.412 1.00 0.85 H new ATOM 0 HG3 ARG A 43 0.045 10.858 -6.934 1.00 0.85 H new ATOM 0 HD2 ARG A 43 1.347 12.385 -5.506 1.00 0.68 H new ATOM 0 HD3 ARG A 43 2.406 11.322 -6.411 1.00 0.68 H new ATOM 0 HE ARG A 43 2.166 13.606 -8.008 1.00 1.29 H new ATOM 0 HH11 ARG A 43 3.207 12.864 -4.716 1.00 2.11 H new ATOM 0 HH12 ARG A 43 4.361 14.200 -4.658 1.00 2.11 H new ATOM 0 HH21 ARG A 43 3.651 15.315 -7.924 1.00 2.62 H new ATOM 0 HH22 ARG A 43 4.612 15.581 -6.465 1.00 2.62 H new ATOM 684 N GLU A 44 2.480 8.709 -7.208 1.00 0.79 N ATOM 685 CA GLU A 44 3.620 8.317 -6.382 1.00 1.09 C ATOM 686 C GLU A 44 3.855 6.816 -6.423 1.00 1.38 C ATOM 687 O GLU A 44 4.554 6.265 -5.573 1.00 2.24 O ATOM 688 CB GLU A 44 3.401 8.732 -4.945 1.00 1.18 C ATOM 689 CG GLU A 44 1.942 8.867 -4.596 1.00 1.05 C ATOM 690 CD GLU A 44 1.716 9.357 -3.180 1.00 1.37 C ATOM 691 OE1 GLU A 44 1.641 8.511 -2.264 1.00 1.65 O ATOM 692 OE2 GLU A 44 1.615 10.586 -2.985 1.00 1.47 O ATOM 0 H GLU A 44 1.598 8.266 -6.949 1.00 0.79 H new ATOM 0 HA GLU A 44 4.496 8.823 -6.789 1.00 1.09 H new ATOM 0 HB2 GLU A 44 3.862 7.998 -4.285 1.00 1.18 H new ATOM 0 HB3 GLU A 44 3.903 9.683 -4.765 1.00 1.18 H new ATOM 0 HG2 GLU A 44 1.469 9.558 -5.294 1.00 1.05 H new ATOM 0 HG3 GLU A 44 1.453 7.901 -4.723 1.00 1.05 H new ATOM 699 N GLN A 45 3.277 6.163 -7.412 1.00 0.72 N ATOM 700 CA GLN A 45 3.404 4.717 -7.562 1.00 0.93 C ATOM 701 C GLN A 45 4.690 4.353 -8.307 1.00 0.74 C ATOM 702 O GLN A 45 4.793 4.575 -9.514 1.00 0.80 O ATOM 703 CB GLN A 45 2.195 4.165 -8.322 1.00 1.18 C ATOM 704 CG GLN A 45 2.280 2.675 -8.614 1.00 1.69 C ATOM 705 CD GLN A 45 1.168 2.199 -9.529 1.00 1.85 C ATOM 706 OE1 GLN A 45 1.315 2.191 -10.751 1.00 2.15 O ATOM 707 NE2 GLN A 45 0.046 1.804 -8.940 1.00 2.52 N ATOM 0 H GLN A 45 2.709 6.611 -8.132 1.00 0.72 H new ATOM 0 HA GLN A 45 3.445 4.274 -6.567 1.00 0.93 H new ATOM 0 HB2 GLN A 45 1.293 4.361 -7.742 1.00 1.18 H new ATOM 0 HB3 GLN A 45 2.092 4.705 -9.263 1.00 1.18 H new ATOM 0 HG2 GLN A 45 3.244 2.452 -9.072 1.00 1.69 H new ATOM 0 HG3 GLN A 45 2.237 2.121 -7.676 1.00 1.69 H new ATOM 0 HE21 GLN A 45 -0.032 1.828 -7.923 1.00 2.52 H new ATOM 0 HE22 GLN A 45 -0.738 1.477 -9.504 1.00 2.52 H new ATOM 716 N PRO A 46 5.692 3.788 -7.604 1.00 0.61 N ATOM 717 CA PRO A 46 6.962 3.393 -8.218 1.00 0.48 C ATOM 718 C PRO A 46 6.814 2.149 -9.087 1.00 0.45 C ATOM 719 O PRO A 46 6.493 1.070 -8.593 1.00 0.61 O ATOM 720 CB PRO A 46 7.883 3.103 -7.023 1.00 0.62 C ATOM 721 CG PRO A 46 7.143 3.577 -5.815 1.00 0.65 C ATOM 722 CD PRO A 46 5.687 3.497 -6.164 1.00 0.75 C ATOM 0 HA PRO A 46 7.347 4.169 -8.880 1.00 0.48 H new ATOM 0 HB2 PRO A 46 8.108 2.039 -6.952 1.00 0.62 H new ATOM 0 HB3 PRO A 46 8.835 3.623 -7.128 1.00 0.62 H new ATOM 0 HG2 PRO A 46 7.371 2.956 -4.949 1.00 0.65 H new ATOM 0 HG3 PRO A 46 7.427 4.598 -5.559 1.00 0.65 H new ATOM 0 HD2 PRO A 46 5.271 2.512 -5.950 1.00 0.75 H new ATOM 0 HD3 PRO A 46 5.095 4.221 -5.605 1.00 0.75 H new ATOM 730 N GLU A 47 7.036 2.318 -10.385 1.00 0.45 N ATOM 731 CA GLU A 47 6.938 1.216 -11.338 1.00 0.52 C ATOM 732 C GLU A 47 7.922 0.100 -11.000 1.00 0.48 C ATOM 733 O GLU A 47 7.808 -1.017 -11.507 1.00 0.49 O ATOM 734 CB GLU A 47 7.196 1.735 -12.751 1.00 0.65 C ATOM 735 CG GLU A 47 8.643 1.622 -13.194 1.00 0.87 C ATOM 736 CD GLU A 47 8.833 1.932 -14.666 1.00 1.35 C ATOM 737 OE1 GLU A 47 8.734 0.995 -15.487 1.00 2.03 O ATOM 738 OE2 GLU A 47 9.077 3.110 -14.998 1.00 1.78 O ATOM 0 H GLU A 47 7.287 3.213 -10.805 1.00 0.45 H new ATOM 0 HA GLU A 47 5.932 0.801 -11.280 1.00 0.52 H new ATOM 0 HB2 GLU A 47 6.568 1.183 -13.450 1.00 0.65 H new ATOM 0 HB3 GLU A 47 6.890 2.780 -12.805 1.00 0.65 H new ATOM 0 HG2 GLU A 47 9.254 2.304 -12.602 1.00 0.87 H new ATOM 0 HG3 GLU A 47 9.003 0.613 -12.990 1.00 0.87 H new ATOM 745 N ASN A 48 8.881 0.411 -10.142 1.00 0.51 N ATOM 746 CA ASN A 48 9.893 -0.561 -9.736 1.00 0.51 C ATOM 747 C ASN A 48 9.299 -1.599 -8.787 1.00 0.37 C ATOM 748 O ASN A 48 9.851 -2.686 -8.615 1.00 0.55 O ATOM 749 CB ASN A 48 11.073 0.148 -9.066 1.00 0.64 C ATOM 750 CG ASN A 48 11.763 1.127 -9.996 1.00 1.34 C ATOM 751 OD1 ASN A 48 11.386 2.296 -10.078 1.00 2.17 O ATOM 752 ND2 ASN A 48 12.783 0.653 -10.704 1.00 1.77 N ATOM 0 H ASN A 48 8.983 1.330 -9.711 1.00 0.51 H new ATOM 0 HA ASN A 48 10.249 -1.074 -10.629 1.00 0.51 H new ATOM 0 HB2 ASN A 48 10.720 0.678 -8.182 1.00 0.64 H new ATOM 0 HB3 ASN A 48 11.794 -0.595 -8.725 1.00 0.64 H new ATOM 0 HD21 ASN A 48 13.286 1.265 -11.346 1.00 1.77 H new ATOM 0 HD22 ASN A 48 13.062 -0.323 -10.605 1.00 1.77 H new ATOM 759 N LEU A 49 8.170 -1.252 -8.175 1.00 0.29 N ATOM 760 CA LEU A 49 7.487 -2.149 -7.245 1.00 0.21 C ATOM 761 C LEU A 49 6.078 -2.449 -7.742 1.00 0.23 C ATOM 762 O LEU A 49 5.213 -2.884 -6.981 1.00 0.28 O ATOM 763 CB LEU A 49 7.424 -1.534 -5.842 1.00 0.34 C ATOM 764 CG LEU A 49 8.774 -1.341 -5.139 1.00 0.34 C ATOM 765 CD1 LEU A 49 9.594 -2.622 -5.179 1.00 0.65 C ATOM 766 CD2 LEU A 49 9.546 -0.191 -5.767 1.00 0.66 C ATOM 0 H LEU A 49 7.707 -0.353 -8.307 1.00 0.29 H new ATOM 0 HA LEU A 49 8.053 -3.079 -7.191 1.00 0.21 H new ATOM 0 HB2 LEU A 49 6.930 -0.565 -5.912 1.00 0.34 H new ATOM 0 HB3 LEU A 49 6.796 -2.168 -5.215 1.00 0.34 H new ATOM 0 HG LEU A 49 8.580 -1.095 -4.095 1.00 0.34 H new ATOM 0 HD11 LEU A 49 10.547 -2.460 -4.674 1.00 0.65 H new ATOM 0 HD12 LEU A 49 9.048 -3.420 -4.676 1.00 0.65 H new ATOM 0 HD13 LEU A 49 9.776 -2.905 -6.216 1.00 0.65 H new ATOM 0 HD21 LEU A 49 10.500 -0.070 -5.254 1.00 0.66 H new ATOM 0 HD22 LEU A 49 9.725 -0.405 -6.821 1.00 0.66 H new ATOM 0 HD23 LEU A 49 8.967 0.728 -5.677 1.00 0.66 H new ATOM 778 N ARG A 50 5.869 -2.213 -9.032 1.00 0.27 N ATOM 779 CA ARG A 50 4.575 -2.448 -9.660 1.00 0.33 C ATOM 780 C ARG A 50 4.113 -3.873 -9.394 1.00 0.33 C ATOM 781 O ARG A 50 2.920 -4.175 -9.435 1.00 0.43 O ATOM 782 CB ARG A 50 4.659 -2.194 -11.164 1.00 0.41 C ATOM 783 CG ARG A 50 3.313 -1.901 -11.805 1.00 1.10 C ATOM 784 CD ARG A 50 3.459 -1.559 -13.280 1.00 1.23 C ATOM 785 NE ARG A 50 3.868 -2.715 -14.070 1.00 1.88 N ATOM 786 CZ ARG A 50 4.078 -2.675 -15.382 1.00 2.37 C ATOM 787 NH1 ARG A 50 3.926 -1.537 -16.048 1.00 2.41 N ATOM 788 NH2 ARG A 50 4.441 -3.772 -16.031 1.00 3.19 N ATOM 0 H ARG A 50 6.584 -1.857 -9.666 1.00 0.27 H new ATOM 0 HA ARG A 50 3.850 -1.757 -9.230 1.00 0.33 H new ATOM 0 HB2 ARG A 50 5.330 -1.354 -11.346 1.00 0.41 H new ATOM 0 HB3 ARG A 50 5.101 -3.065 -11.648 1.00 0.41 H new ATOM 0 HG2 ARG A 50 2.660 -2.767 -11.694 1.00 1.10 H new ATOM 0 HG3 ARG A 50 2.834 -1.072 -11.284 1.00 1.10 H new ATOM 0 HD2 ARG A 50 2.511 -1.177 -13.659 1.00 1.23 H new ATOM 0 HD3 ARG A 50 4.193 -0.762 -13.397 1.00 1.23 H new ATOM 0 HE ARG A 50 4.000 -3.604 -13.588 1.00 1.88 H new ATOM 0 HH11 ARG A 50 3.647 -0.690 -15.553 1.00 2.41 H new ATOM 0 HH12 ARG A 50 4.088 -1.510 -17.055 1.00 2.41 H new ATOM 0 HH21 ARG A 50 4.560 -4.649 -15.524 1.00 3.19 H new ATOM 0 HH22 ARG A 50 4.602 -3.739 -17.038 1.00 3.19 H new ATOM 802 N THR A 51 5.075 -4.743 -9.119 1.00 0.27 N ATOM 803 CA THR A 51 4.791 -6.138 -8.830 1.00 0.28 C ATOM 804 C THR A 51 4.161 -6.286 -7.448 1.00 0.25 C ATOM 805 O THR A 51 3.137 -6.949 -7.289 1.00 0.30 O ATOM 806 CB THR A 51 6.075 -6.986 -8.899 1.00 0.29 C ATOM 807 OG1 THR A 51 6.646 -6.910 -10.211 1.00 0.35 O ATOM 808 CG2 THR A 51 5.784 -8.435 -8.553 1.00 0.36 C ATOM 0 H THR A 51 6.066 -4.503 -9.090 1.00 0.27 H new ATOM 0 HA THR A 51 4.089 -6.494 -9.584 1.00 0.28 H new ATOM 0 HB THR A 51 6.784 -6.589 -8.172 1.00 0.29 H new ATOM 0 HG1 THR A 51 7.463 -7.451 -10.244 1.00 0.35 H new ATOM 0 HG21 THR A 51 6.706 -9.014 -8.608 1.00 0.36 H new ATOM 0 HG22 THR A 51 5.379 -8.494 -7.543 1.00 0.36 H new ATOM 0 HG23 THR A 51 5.058 -8.839 -9.259 1.00 0.36 H new ATOM 816 N TYR A 52 4.780 -5.655 -6.454 1.00 0.20 N ATOM 817 CA TYR A 52 4.296 -5.701 -5.084 1.00 0.19 C ATOM 818 C TYR A 52 2.891 -5.115 -4.986 1.00 0.18 C ATOM 819 O TYR A 52 1.975 -5.758 -4.475 1.00 0.22 O ATOM 820 CB TYR A 52 5.266 -4.923 -4.192 1.00 0.21 C ATOM 821 CG TYR A 52 4.940 -4.962 -2.719 1.00 0.27 C ATOM 822 CD1 TYR A 52 4.455 -6.117 -2.119 1.00 0.41 C ATOM 823 CD2 TYR A 52 5.131 -3.841 -1.926 1.00 0.27 C ATOM 824 CE1 TYR A 52 4.166 -6.149 -0.770 1.00 0.50 C ATOM 825 CE2 TYR A 52 4.847 -3.864 -0.576 1.00 0.35 C ATOM 826 CZ TYR A 52 4.365 -5.021 0.000 1.00 0.46 C ATOM 827 OH TYR A 52 4.080 -5.049 1.346 1.00 0.56 O ATOM 0 H TYR A 52 5.627 -5.101 -6.578 1.00 0.20 H new ATOM 0 HA TYR A 52 4.245 -6.738 -4.753 1.00 0.19 H new ATOM 0 HB2 TYR A 52 6.270 -5.320 -4.338 1.00 0.21 H new ATOM 0 HB3 TYR A 52 5.284 -3.883 -4.519 1.00 0.21 H new ATOM 0 HD1 TYR A 52 4.302 -7.003 -2.717 1.00 0.41 H new ATOM 0 HD2 TYR A 52 5.509 -2.933 -2.373 1.00 0.27 H new ATOM 0 HE1 TYR A 52 3.786 -7.053 -0.318 1.00 0.50 H new ATOM 0 HE2 TYR A 52 5.001 -2.981 0.026 1.00 0.35 H new ATOM 0 HH TYR A 52 3.244 -4.566 1.513 1.00 0.56 H new ATOM 837 N PHE A 53 2.740 -3.884 -5.466 1.00 0.17 N ATOM 838 CA PHE A 53 1.450 -3.203 -5.456 1.00 0.18 C ATOM 839 C PHE A 53 0.333 -4.122 -5.931 1.00 0.16 C ATOM 840 O PHE A 53 -0.763 -4.108 -5.378 1.00 0.19 O ATOM 841 CB PHE A 53 1.524 -1.939 -6.328 1.00 0.20 C ATOM 842 CG PHE A 53 0.277 -1.625 -7.118 1.00 0.24 C ATOM 843 CD1 PHE A 53 -0.035 -2.326 -8.276 1.00 0.32 C ATOM 844 CD2 PHE A 53 -0.574 -0.612 -6.705 1.00 0.29 C ATOM 845 CE1 PHE A 53 -1.173 -2.025 -8.998 1.00 0.37 C ATOM 846 CE2 PHE A 53 -1.712 -0.306 -7.427 1.00 0.36 C ATOM 847 CZ PHE A 53 -2.011 -1.013 -8.574 1.00 0.37 C ATOM 0 H PHE A 53 3.500 -3.336 -5.869 1.00 0.17 H new ATOM 0 HA PHE A 53 1.220 -2.916 -4.430 1.00 0.18 H new ATOM 0 HB2 PHE A 53 1.751 -1.088 -5.686 1.00 0.20 H new ATOM 0 HB3 PHE A 53 2.357 -2.046 -7.023 1.00 0.20 H new ATOM 0 HD1 PHE A 53 0.620 -3.115 -8.615 1.00 0.32 H new ATOM 0 HD2 PHE A 53 -0.345 -0.055 -5.808 1.00 0.29 H new ATOM 0 HE1 PHE A 53 -1.407 -2.581 -9.894 1.00 0.37 H new ATOM 0 HE2 PHE A 53 -2.367 0.486 -7.094 1.00 0.36 H new ATOM 0 HZ PHE A 53 -2.900 -0.775 -9.139 1.00 0.37 H new ATOM 857 N MET A 54 0.611 -4.921 -6.956 1.00 0.18 N ATOM 858 CA MET A 54 -0.380 -5.830 -7.496 1.00 0.22 C ATOM 859 C MET A 54 -0.638 -6.982 -6.530 1.00 0.25 C ATOM 860 O MET A 54 -1.759 -7.470 -6.423 1.00 0.27 O ATOM 861 CB MET A 54 0.091 -6.340 -8.860 1.00 0.27 C ATOM 862 CG MET A 54 -0.358 -7.747 -9.175 1.00 1.07 C ATOM 863 SD MET A 54 0.170 -8.304 -10.807 1.00 1.58 S ATOM 864 CE MET A 54 -0.643 -7.098 -11.855 1.00 1.82 C ATOM 0 H MET A 54 1.516 -4.954 -7.426 1.00 0.18 H new ATOM 0 HA MET A 54 -1.324 -5.301 -7.628 1.00 0.22 H new ATOM 0 HB2 MET A 54 -0.279 -5.669 -9.635 1.00 0.27 H new ATOM 0 HB3 MET A 54 1.180 -6.300 -8.896 1.00 0.27 H new ATOM 0 HG2 MET A 54 0.037 -8.427 -8.420 1.00 1.07 H new ATOM 0 HG3 MET A 54 -1.445 -7.798 -9.113 1.00 1.07 H new ATOM 0 HE1 MET A 54 -0.719 -7.490 -12.869 1.00 1.82 H new ATOM 0 HE2 MET A 54 -1.642 -6.895 -11.469 1.00 1.82 H new ATOM 0 HE3 MET A 54 -0.063 -6.175 -11.865 1.00 1.82 H new ATOM 874 N GLU A 55 0.409 -7.417 -5.834 1.00 0.26 N ATOM 875 CA GLU A 55 0.286 -8.496 -4.861 1.00 0.31 C ATOM 876 C GLU A 55 -0.671 -8.089 -3.749 1.00 0.30 C ATOM 877 O GLU A 55 -1.593 -8.827 -3.404 1.00 0.37 O ATOM 878 CB GLU A 55 1.655 -8.842 -4.271 1.00 0.33 C ATOM 879 CG GLU A 55 2.632 -9.396 -5.293 1.00 0.41 C ATOM 880 CD GLU A 55 3.965 -9.776 -4.676 1.00 1.06 C ATOM 881 OE1 GLU A 55 4.104 -10.934 -4.229 1.00 0.92 O ATOM 882 OE2 GLU A 55 4.870 -8.916 -4.641 1.00 1.84 O ATOM 0 H GLU A 55 1.352 -7.038 -5.926 1.00 0.26 H new ATOM 0 HA GLU A 55 -0.109 -9.377 -5.367 1.00 0.31 H new ATOM 0 HB2 GLU A 55 2.083 -7.948 -3.818 1.00 0.33 H new ATOM 0 HB3 GLU A 55 1.524 -9.572 -3.472 1.00 0.33 H new ATOM 0 HG2 GLU A 55 2.194 -10.272 -5.772 1.00 0.41 H new ATOM 0 HG3 GLU A 55 2.795 -8.654 -6.074 1.00 0.41 H new ATOM 889 N ARG A 56 -0.438 -6.914 -3.179 1.00 0.29 N ATOM 890 CA ARG A 56 -1.298 -6.403 -2.125 1.00 0.32 C ATOM 891 C ARG A 56 -2.668 -6.066 -2.700 1.00 0.28 C ATOM 892 O ARG A 56 -3.689 -6.275 -2.055 1.00 0.29 O ATOM 893 CB ARG A 56 -0.675 -5.165 -1.479 1.00 0.40 C ATOM 894 CG ARG A 56 -1.049 -4.989 -0.017 1.00 0.74 C ATOM 895 CD ARG A 56 -0.406 -6.055 0.854 1.00 0.84 C ATOM 896 NE ARG A 56 -0.846 -5.971 2.244 1.00 1.54 N ATOM 897 CZ ARG A 56 -0.502 -6.850 3.181 1.00 1.82 C ATOM 898 NH1 ARG A 56 0.285 -7.875 2.877 1.00 1.80 N ATOM 899 NH2 ARG A 56 -0.944 -6.706 4.422 1.00 2.57 N ATOM 0 H ARG A 56 0.337 -6.300 -3.429 1.00 0.29 H new ATOM 0 HA ARG A 56 -1.411 -7.169 -1.358 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.410 -5.229 -1.563 1.00 0.40 H new ATOM 0 HB3 ARG A 56 -0.986 -4.280 -2.034 1.00 0.40 H new ATOM 0 HG2 ARG A 56 -0.736 -4.002 0.323 1.00 0.74 H new ATOM 0 HG3 ARG A 56 -2.133 -5.035 0.091 1.00 0.74 H new ATOM 0 HD2 ARG A 56 -0.648 -7.041 0.457 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.678 -5.952 0.811 1.00 0.84 H new ATOM 0 HE ARG A 56 -1.451 -5.195 2.511 1.00 1.54 H new ATOM 0 HH11 ARG A 56 0.627 -7.990 1.923 1.00 1.80 H new ATOM 0 HH12 ARG A 56 0.547 -8.548 3.597 1.00 1.80 H new ATOM 0 HH21 ARG A 56 -1.549 -5.920 4.660 1.00 2.57 H new ATOM 0 HH22 ARG A 56 -0.679 -7.381 5.139 1.00 2.57 H new ATOM 913 N LEU A 57 -2.669 -5.531 -3.920 1.00 0.29 N ATOM 914 CA LEU A 57 -3.907 -5.176 -4.611 1.00 0.34 C ATOM 915 C LEU A 57 -4.844 -6.376 -4.717 1.00 0.32 C ATOM 916 O LEU A 57 -5.968 -6.339 -4.215 1.00 0.40 O ATOM 917 CB LEU A 57 -3.596 -4.634 -6.010 1.00 0.45 C ATOM 918 CG LEU A 57 -4.810 -4.423 -6.920 1.00 0.58 C ATOM 919 CD1 LEU A 57 -5.827 -3.501 -6.261 1.00 1.09 C ATOM 920 CD2 LEU A 57 -4.373 -3.861 -8.264 1.00 1.03 C ATOM 0 H LEU A 57 -1.822 -5.333 -4.452 1.00 0.29 H new ATOM 0 HA LEU A 57 -4.406 -4.403 -4.027 1.00 0.34 H new ATOM 0 HB2 LEU A 57 -3.073 -3.683 -5.904 1.00 0.45 H new ATOM 0 HB3 LEU A 57 -2.909 -5.322 -6.503 1.00 0.45 H new ATOM 0 HG LEU A 57 -5.286 -5.390 -7.085 1.00 0.58 H new ATOM 0 HD11 LEU A 57 -6.680 -3.366 -6.926 1.00 1.09 H new ATOM 0 HD12 LEU A 57 -6.164 -3.942 -5.323 1.00 1.09 H new ATOM 0 HD13 LEU A 57 -5.366 -2.534 -6.062 1.00 1.09 H new ATOM 0 HD21 LEU A 57 -5.247 -3.717 -8.899 1.00 1.03 H new ATOM 0 HD22 LEU A 57 -3.872 -2.905 -8.113 1.00 1.03 H new ATOM 0 HD23 LEU A 57 -3.686 -4.558 -8.744 1.00 1.03 H new ATOM 932 N ARG A 58 -4.376 -7.436 -5.376 1.00 0.33 N ATOM 933 CA ARG A 58 -5.173 -8.646 -5.542 1.00 0.40 C ATOM 934 C ARG A 58 -5.672 -9.134 -4.194 1.00 0.39 C ATOM 935 O ARG A 58 -6.806 -9.601 -4.062 1.00 0.47 O ATOM 936 CB ARG A 58 -4.351 -9.738 -6.230 1.00 0.49 C ATOM 937 CG ARG A 58 -3.094 -10.128 -5.471 1.00 0.55 C ATOM 938 CD ARG A 58 -2.372 -11.282 -6.145 1.00 0.67 C ATOM 939 NE ARG A 58 -1.179 -11.689 -5.403 1.00 1.20 N ATOM 940 CZ ARG A 58 -0.579 -12.865 -5.557 1.00 1.40 C ATOM 941 NH1 ARG A 58 -1.051 -13.744 -6.430 1.00 0.89 N ATOM 942 NH2 ARG A 58 0.496 -13.163 -4.840 1.00 2.29 N ATOM 0 H ARG A 58 -3.450 -7.479 -5.802 1.00 0.33 H new ATOM 0 HA ARG A 58 -6.032 -8.412 -6.171 1.00 0.40 H new ATOM 0 HB2 ARG A 58 -4.975 -10.622 -6.360 1.00 0.49 H new ATOM 0 HB3 ARG A 58 -4.071 -9.396 -7.226 1.00 0.49 H new ATOM 0 HG2 ARG A 58 -2.426 -9.269 -5.405 1.00 0.55 H new ATOM 0 HG3 ARG A 58 -3.356 -10.408 -4.451 1.00 0.55 H new ATOM 0 HD2 ARG A 58 -3.050 -12.131 -6.236 1.00 0.67 H new ATOM 0 HD3 ARG A 58 -2.088 -10.991 -7.157 1.00 0.67 H new ATOM 0 HE ARG A 58 -0.785 -11.033 -4.729 1.00 1.20 H new ATOM 0 HH11 ARG A 58 -1.876 -13.518 -6.985 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -0.589 -14.646 -6.546 1.00 0.89 H new ATOM 0 HH21 ARG A 58 0.864 -12.489 -4.169 1.00 2.29 H new ATOM 0 HH22 ARG A 58 0.955 -14.066 -4.960 1.00 2.29 H new ATOM 956 N HIS A 59 -4.815 -9.011 -3.191 1.00 0.38 N ATOM 957 CA HIS A 59 -5.164 -9.417 -1.837 1.00 0.50 C ATOM 958 C HIS A 59 -6.301 -8.546 -1.314 1.00 0.44 C ATOM 959 O HIS A 59 -7.298 -9.048 -0.797 1.00 0.46 O ATOM 960 CB HIS A 59 -3.944 -9.303 -0.921 1.00 0.68 C ATOM 961 CG HIS A 59 -4.196 -9.771 0.480 1.00 1.36 C ATOM 962 ND1 HIS A 59 -4.696 -8.950 1.469 1.00 1.75 N ATOM 963 CD2 HIS A 59 -4.013 -10.982 1.056 1.00 2.34 C ATOM 964 CE1 HIS A 59 -4.809 -9.636 2.593 1.00 2.36 C ATOM 965 NE2 HIS A 59 -4.402 -10.872 2.368 1.00 2.78 N ATOM 0 H HIS A 59 -3.873 -8.633 -3.289 1.00 0.38 H new ATOM 0 HA HIS A 59 -5.492 -10.456 -1.850 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -3.126 -9.884 -1.347 1.00 0.68 H new ATOM 0 HB3 HIS A 59 -3.617 -8.264 -0.894 1.00 0.68 H new ATOM 0 HD2 HIS A 59 -3.632 -11.870 0.573 1.00 2.34 H new ATOM 0 HE1 HIS A 59 -5.172 -9.251 3.535 1.00 2.36 H new ATOM 0 HE2 HIS A 59 -4.380 -11.623 3.057 1.00 2.78 H new ATOM 974 N TYR A 60 -6.131 -7.232 -1.452 1.00 0.49 N ATOM 975 CA TYR A 60 -7.133 -6.267 -1.017 1.00 0.63 C ATOM 976 C TYR A 60 -8.509 -6.618 -1.571 1.00 0.51 C ATOM 977 O TYR A 60 -9.523 -6.369 -0.922 1.00 0.55 O ATOM 978 CB TYR A 60 -6.743 -4.852 -1.460 1.00 0.94 C ATOM 979 CG TYR A 60 -5.811 -4.140 -0.503 1.00 0.47 C ATOM 980 CD1 TYR A 60 -6.146 -3.986 0.834 1.00 1.22 C ATOM 981 CD2 TYR A 60 -4.601 -3.613 -0.940 1.00 0.97 C ATOM 982 CE1 TYR A 60 -5.306 -3.329 1.712 1.00 2.23 C ATOM 983 CE2 TYR A 60 -3.754 -2.955 -0.067 1.00 1.87 C ATOM 984 CZ TYR A 60 -4.111 -2.816 1.256 1.00 2.50 C ATOM 985 OH TYR A 60 -3.271 -2.162 2.129 1.00 3.56 O ATOM 0 H TYR A 60 -5.299 -6.811 -1.866 1.00 0.49 H new ATOM 0 HA TYR A 60 -7.178 -6.302 0.072 1.00 0.63 H new ATOM 0 HB2 TYR A 60 -6.268 -4.907 -2.439 1.00 0.94 H new ATOM 0 HB3 TYR A 60 -7.649 -4.257 -1.578 1.00 0.94 H new ATOM 0 HD1 TYR A 60 -7.081 -4.387 1.195 1.00 1.22 H new ATOM 0 HD2 TYR A 60 -4.318 -3.719 -1.977 1.00 0.97 H new ATOM 0 HE1 TYR A 60 -5.584 -3.218 2.750 1.00 2.23 H new ATOM 0 HE2 TYR A 60 -2.817 -2.552 -0.421 1.00 1.87 H new ATOM 0 HH TYR A 60 -2.470 -1.862 1.650 1.00 3.56 H new ATOM 995 N ARG A 61 -8.543 -7.186 -2.774 1.00 0.49 N ATOM 996 CA ARG A 61 -9.804 -7.573 -3.395 1.00 0.60 C ATOM 997 C ARG A 61 -10.467 -8.681 -2.587 1.00 0.51 C ATOM 998 O ARG A 61 -11.678 -8.663 -2.361 1.00 0.58 O ATOM 999 CB ARG A 61 -9.567 -8.040 -4.832 1.00 0.74 C ATOM 1000 CG ARG A 61 -10.848 -8.292 -5.610 1.00 1.16 C ATOM 1001 CD ARG A 61 -10.555 -8.727 -7.036 1.00 1.30 C ATOM 1002 NE ARG A 61 -9.889 -10.025 -7.089 1.00 2.29 N ATOM 1003 CZ ARG A 61 -9.436 -10.578 -8.210 1.00 2.72 C ATOM 1004 NH1 ARG A 61 -9.577 -9.947 -9.368 1.00 2.33 N ATOM 1005 NH2 ARG A 61 -8.843 -11.764 -8.176 1.00 3.83 N ATOM 0 H ARG A 61 -7.715 -7.387 -3.335 1.00 0.49 H new ATOM 0 HA ARG A 61 -10.464 -6.706 -3.414 1.00 0.60 H new ATOM 0 HB2 ARG A 61 -8.975 -7.289 -5.356 1.00 0.74 H new ATOM 0 HB3 ARG A 61 -8.976 -8.956 -4.815 1.00 0.74 H new ATOM 0 HG2 ARG A 61 -11.435 -9.060 -5.107 1.00 1.16 H new ATOM 0 HG3 ARG A 61 -11.453 -7.385 -5.622 1.00 1.16 H new ATOM 0 HD2 ARG A 61 -11.487 -8.775 -7.598 1.00 1.30 H new ATOM 0 HD3 ARG A 61 -9.928 -7.979 -7.521 1.00 1.30 H new ATOM 0 HE ARG A 61 -9.764 -10.537 -6.216 1.00 2.29 H new ATOM 0 HH11 ARG A 61 -10.034 -9.036 -9.400 1.00 2.33 H new ATOM 0 HH12 ARG A 61 -9.229 -10.373 -10.227 1.00 2.33 H new ATOM 0 HH21 ARG A 61 -8.734 -12.254 -7.288 1.00 3.83 H new ATOM 0 HH22 ARG A 61 -8.496 -12.186 -9.038 1.00 3.83 H new ATOM 1019 N GLN A 62 -9.664 -9.646 -2.154 1.00 0.42 N ATOM 1020 CA GLN A 62 -10.169 -10.754 -1.356 1.00 0.44 C ATOM 1021 C GLN A 62 -10.854 -10.221 -0.100 1.00 0.34 C ATOM 1022 O GLN A 62 -11.911 -10.713 0.314 1.00 0.41 O ATOM 1023 CB GLN A 62 -9.024 -11.694 -0.971 1.00 0.49 C ATOM 1024 CG GLN A 62 -8.348 -12.355 -2.162 1.00 0.65 C ATOM 1025 CD GLN A 62 -7.303 -13.372 -1.745 1.00 1.17 C ATOM 1026 OE1 GLN A 62 -7.423 -14.009 -0.699 1.00 1.68 O ATOM 1027 NE2 GLN A 62 -6.268 -13.527 -2.563 1.00 1.32 N ATOM 0 H GLN A 62 -8.662 -9.683 -2.342 1.00 0.42 H new ATOM 0 HA GLN A 62 -10.895 -11.312 -1.947 1.00 0.44 H new ATOM 0 HB2 GLN A 62 -8.279 -11.133 -0.407 1.00 0.49 H new ATOM 0 HB3 GLN A 62 -9.409 -12.468 -0.307 1.00 0.49 H new ATOM 0 HG2 GLN A 62 -9.102 -12.845 -2.778 1.00 0.65 H new ATOM 0 HG3 GLN A 62 -7.879 -11.590 -2.781 1.00 0.65 H new ATOM 0 HE21 GLN A 62 -6.209 -12.978 -3.420 1.00 1.32 H new ATOM 0 HE22 GLN A 62 -5.532 -14.195 -2.334 1.00 1.32 H new ATOM 1036 N LEU A 63 -10.262 -9.185 0.485 1.00 0.31 N ATOM 1037 CA LEU A 63 -10.807 -8.584 1.682 1.00 0.40 C ATOM 1038 C LEU A 63 -11.825 -7.528 1.312 1.00 0.49 C ATOM 1039 O LEU A 63 -12.596 -7.101 2.143 1.00 0.75 O ATOM 1040 CB LEU A 63 -9.703 -7.968 2.541 1.00 0.62 C ATOM 1041 CG LEU A 63 -9.053 -8.918 3.550 1.00 0.66 C ATOM 1042 CD1 LEU A 63 -8.431 -10.115 2.844 1.00 1.45 C ATOM 1043 CD2 LEU A 63 -8.008 -8.183 4.376 1.00 1.57 C ATOM 0 H LEU A 63 -9.405 -8.749 0.144 1.00 0.31 H new ATOM 0 HA LEU A 63 -11.293 -9.366 2.265 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -8.927 -7.578 1.882 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -10.118 -7.118 3.082 1.00 0.62 H new ATOM 0 HG LEU A 63 -9.829 -9.286 4.221 1.00 0.66 H new ATOM 0 HD11 LEU A 63 -7.975 -10.776 3.581 1.00 1.45 H new ATOM 0 HD12 LEU A 63 -9.203 -10.657 2.299 1.00 1.45 H new ATOM 0 HD13 LEU A 63 -7.668 -9.770 2.146 1.00 1.45 H new ATOM 0 HD21 LEU A 63 -7.556 -8.873 5.088 1.00 1.57 H new ATOM 0 HD22 LEU A 63 -7.237 -7.785 3.716 1.00 1.57 H new ATOM 0 HD23 LEU A 63 -8.482 -7.363 4.916 1.00 1.57 H new ATOM 1055 N SER A 64 -11.824 -7.098 0.060 1.00 0.43 N ATOM 1056 CA SER A 64 -12.786 -6.100 -0.376 1.00 0.60 C ATOM 1057 C SER A 64 -14.191 -6.630 -0.135 1.00 0.76 C ATOM 1058 O SER A 64 -15.084 -5.892 0.281 1.00 0.99 O ATOM 1059 CB SER A 64 -12.594 -5.763 -1.856 1.00 0.65 C ATOM 1060 OG SER A 64 -13.223 -6.722 -2.686 1.00 1.62 O ATOM 0 H SER A 64 -11.178 -7.419 -0.662 1.00 0.43 H new ATOM 0 HA SER A 64 -12.633 -5.185 0.196 1.00 0.60 H new ATOM 0 HB2 SER A 64 -13.004 -4.775 -2.063 1.00 0.65 H new ATOM 0 HB3 SER A 64 -11.530 -5.721 -2.087 1.00 0.65 H new ATOM 0 HG SER A 64 -12.869 -7.613 -2.483 1.00 1.62 H new ATOM 1066 N LEU A 65 -14.382 -7.920 -0.405 1.00 0.70 N ATOM 1067 CA LEU A 65 -15.668 -8.563 -0.204 1.00 0.88 C ATOM 1068 C LEU A 65 -15.877 -8.926 1.266 1.00 0.97 C ATOM 1069 O LEU A 65 -16.960 -8.721 1.813 1.00 1.35 O ATOM 1070 CB LEU A 65 -15.761 -9.802 -1.102 1.00 0.91 C ATOM 1071 CG LEU A 65 -15.938 -11.137 -0.388 1.00 1.53 C ATOM 1072 CD1 LEU A 65 -17.402 -11.377 -0.063 1.00 2.32 C ATOM 1073 CD2 LEU A 65 -15.380 -12.251 -1.249 1.00 1.80 C ATOM 0 H LEU A 65 -13.655 -8.538 -0.765 1.00 0.70 H new ATOM 0 HA LEU A 65 -16.462 -7.868 -0.478 1.00 0.88 H new ATOM 0 HB2 LEU A 65 -16.597 -9.666 -1.788 1.00 0.91 H new ATOM 0 HB3 LEU A 65 -14.857 -9.855 -1.708 1.00 0.91 H new ATOM 0 HG LEU A 65 -15.389 -11.117 0.554 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -17.509 -12.335 0.446 1.00 2.32 H new ATOM 0 HD12 LEU A 65 -17.767 -10.579 0.584 1.00 2.32 H new ATOM 0 HD13 LEU A 65 -17.982 -11.390 -0.986 1.00 2.32 H new ATOM 0 HD21 LEU A 65 -15.507 -13.205 -0.737 1.00 1.80 H new ATOM 0 HD22 LEU A 65 -15.911 -12.276 -2.201 1.00 1.80 H new ATOM 0 HD23 LEU A 65 -14.320 -12.075 -1.430 1.00 1.80 H new ATOM 1085 N GLN A 66 -14.839 -9.467 1.904 1.00 0.75 N ATOM 1086 CA GLN A 66 -14.932 -9.852 3.310 1.00 0.88 C ATOM 1087 C GLN A 66 -15.116 -8.619 4.203 1.00 0.97 C ATOM 1088 O GLN A 66 -15.897 -8.638 5.152 1.00 1.15 O ATOM 1089 CB GLN A 66 -13.682 -10.650 3.722 1.00 0.83 C ATOM 1090 CG GLN A 66 -12.692 -9.876 4.584 1.00 0.81 C ATOM 1091 CD GLN A 66 -13.217 -9.626 5.987 1.00 0.93 C ATOM 1092 OE1 GLN A 66 -12.977 -8.426 6.501 1.00 0.97 O flip ATOM 1093 NE2 GLN A 66 -13.856 -10.490 6.587 1.00 1.04 N flip ATOM 0 H GLN A 66 -13.932 -9.647 1.473 1.00 0.75 H new ATOM 0 HA GLN A 66 -15.807 -10.488 3.440 1.00 0.88 H new ATOM 0 HB2 GLN A 66 -13.998 -11.541 4.265 1.00 0.83 H new ATOM 0 HB3 GLN A 66 -13.171 -10.991 2.821 1.00 0.83 H new ATOM 0 HG2 GLN A 66 -11.755 -10.430 4.643 1.00 0.81 H new ATOM 0 HG3 GLN A 66 -12.468 -8.922 4.107 1.00 0.81 H new ATOM 0 HE21 GLN A 66 -14.016 -11.399 6.153 1.00 1.04 H new ATOM 0 HE22 GLN A 66 -14.225 -10.297 7.518 1.00 1.04 H new ATOM 1102 N LEU A 67 -14.366 -7.564 3.891 1.00 0.88 N ATOM 1103 CA LEU A 67 -14.402 -6.296 4.630 1.00 1.03 C ATOM 1104 C LEU A 67 -15.834 -5.849 4.945 1.00 1.14 C ATOM 1105 O LEU A 67 -16.799 -6.415 4.428 1.00 1.17 O ATOM 1106 CB LEU A 67 -13.688 -5.202 3.813 1.00 0.95 C ATOM 1107 CG LEU A 67 -12.165 -5.035 4.025 1.00 1.23 C ATOM 1108 CD1 LEU A 67 -11.853 -3.699 4.678 1.00 1.87 C ATOM 1109 CD2 LEU A 67 -11.574 -6.164 4.849 1.00 1.86 C ATOM 0 H LEU A 67 -13.709 -7.562 3.111 1.00 0.88 H new ATOM 0 HA LEU A 67 -13.890 -6.454 5.579 1.00 1.03 H new ATOM 0 HB2 LEU A 67 -13.861 -5.404 2.756 1.00 0.95 H new ATOM 0 HB3 LEU A 67 -14.166 -4.248 4.037 1.00 0.95 H new ATOM 0 HG LEU A 67 -11.704 -5.067 3.038 1.00 1.23 H new ATOM 0 HD11 LEU A 67 -10.776 -3.605 4.817 1.00 1.87 H new ATOM 0 HD12 LEU A 67 -12.209 -2.890 4.040 1.00 1.87 H new ATOM 0 HD13 LEU A 67 -12.350 -3.642 5.646 1.00 1.87 H new ATOM 0 HD21 LEU A 67 -10.503 -6.003 4.971 1.00 1.86 H new ATOM 0 HD22 LEU A 67 -12.051 -6.188 5.829 1.00 1.86 H new ATOM 0 HD23 LEU A 67 -11.743 -7.113 4.340 1.00 1.86 H new ATOM 1121 N PRO A 68 -15.990 -4.809 5.797 1.00 1.32 N ATOM 1122 CA PRO A 68 -17.305 -4.273 6.196 1.00 1.51 C ATOM 1123 C PRO A 68 -18.148 -3.783 5.026 1.00 1.30 C ATOM 1124 O PRO A 68 -17.964 -4.207 3.885 1.00 1.48 O ATOM 1125 CB PRO A 68 -16.936 -3.088 7.092 1.00 1.82 C ATOM 1126 CG PRO A 68 -15.568 -2.730 6.651 1.00 1.71 C ATOM 1127 CD PRO A 68 -14.908 -4.049 6.447 1.00 1.46 C ATOM 0 HA PRO A 68 -17.913 -5.042 6.672 1.00 1.51 H new ATOM 0 HB2 PRO A 68 -17.629 -2.257 6.963 1.00 1.82 H new ATOM 0 HB3 PRO A 68 -16.959 -3.361 8.147 1.00 1.82 H new ATOM 0 HG2 PRO A 68 -15.584 -2.144 5.732 1.00 1.71 H new ATOM 0 HG3 PRO A 68 -15.048 -2.134 7.401 1.00 1.71 H new ATOM 0 HD2 PRO A 68 -14.022 -3.973 5.817 1.00 1.46 H new ATOM 0 HD3 PRO A 68 -14.593 -4.502 7.387 1.00 1.46 H new ATOM 1135 N LYS A 69 -19.079 -2.878 5.335 1.00 1.27 N ATOM 1136 CA LYS A 69 -19.975 -2.304 4.343 1.00 1.31 C ATOM 1137 C LYS A 69 -19.229 -1.883 3.077 1.00 1.57 C ATOM 1138 O LYS A 69 -18.006 -1.742 3.075 1.00 2.36 O ATOM 1139 CB LYS A 69 -20.720 -1.101 4.928 1.00 2.04 C ATOM 1140 CG LYS A 69 -19.819 0.082 5.246 1.00 2.94 C ATOM 1141 CD LYS A 69 -19.163 -0.059 6.608 1.00 3.72 C ATOM 1142 CE LYS A 69 -20.007 0.585 7.693 1.00 4.17 C ATOM 1143 NZ LYS A 69 -19.966 2.072 7.622 1.00 4.86 N ATOM 0 H LYS A 69 -19.229 -2.526 6.281 1.00 1.27 H new ATOM 0 HA LYS A 69 -20.692 -3.078 4.069 1.00 1.31 H new ATOM 0 HB2 LYS A 69 -21.487 -0.782 4.223 1.00 2.04 H new ATOM 0 HB3 LYS A 69 -21.233 -1.411 5.839 1.00 2.04 H new ATOM 0 HG2 LYS A 69 -19.049 0.169 4.479 1.00 2.94 H new ATOM 0 HG3 LYS A 69 -20.403 1.002 5.217 1.00 2.94 H new ATOM 0 HD2 LYS A 69 -19.016 -1.115 6.836 1.00 3.72 H new ATOM 0 HD3 LYS A 69 -18.176 0.403 6.589 1.00 3.72 H new ATOM 0 HE2 LYS A 69 -21.039 0.246 7.599 1.00 4.17 H new ATOM 0 HE3 LYS A 69 -19.652 0.259 8.670 1.00 4.17 H new ATOM 0 HZ1 LYS A 69 -20.270 2.472 8.533 1.00 4.86 H new ATOM 0 HZ2 LYS A 69 -18.996 2.383 7.414 1.00 4.86 H new ATOM 0 HZ3 LYS A 69 -20.604 2.401 6.870 1.00 4.86 H new