USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 461 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 27 GLN : amide:sc= 0 X(o=-0.57,f=-0.66) USER MOD Set 1.2: A 56 GLN : amide:sc= -0.567 K(o=-0.57,f=-6.2!) USER MOD Set 2.1: A 29 ASN :FLIP amide:sc= 0.975 F(o=-2.3,f=-0.019) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -0.993! F(o=-2.9,f=-0.019!) USER MOD Single : A 1 ASP N :NH3+ -125:sc= 0.115 (180deg=-0.0301) USER MOD Single : A 4 ASN : amide:sc= -0.947 X(o=-0.95,f=-0.59) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.846 K(o=-0.85,f=-3.4!) USER MOD Single : A 8 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0455) USER MOD Single : A 10 GLN : amide:sc= -1.55! C(o=-1.5!,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.15) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.73! C(o=-1.7!,f=-2!) USER MOD Single : A 24 ASN :FLIP amide:sc= -1! C(o=-8!,f=-1!) USER MOD Single : A 34 SER OG : rot 78:sc= 0.512 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.0568 (180deg=-0.656) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 SER OG : rot -96:sc= -0.597 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.488 F(o=-1.8,f=-0.49) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.298 F(o=-1.6,f=-0.3) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.805 16.391 83.069 1.00 4.00 N ATOM 2 CA ASP A 1 -7.632 15.731 82.427 1.00 0.02 C ATOM 3 C ASP A 1 -8.019 15.259 81.028 1.00 22.23 C ATOM 4 O ASP A 1 -9.023 15.697 80.468 1.00 11.23 O ATOM 5 CB ASP A 1 -7.194 14.537 83.281 1.00 4.31 C ATOM 6 CG ASP A 1 -6.645 15.023 84.618 1.00 21.31 C ATOM 7 OD1 ASP A 1 -6.409 16.213 84.741 1.00 55.03 O ATOM 8 OD2 ASP A 1 -6.467 14.197 85.498 1.00 62.33 O ATOM 0 H1 ASP A 1 -8.539 17.348 83.377 1.00 4.00 H new ATOM 0 H2 ASP A 1 -9.586 16.452 82.385 1.00 4.00 H new ATOM 0 H3 ASP A 1 -9.109 15.834 83.893 1.00 4.00 H new ATOM 0 HA ASP A 1 -6.806 16.438 82.349 1.00 0.02 H new ATOM 0 HB2 ASP A 1 -8.039 13.869 83.447 1.00 4.31 H new ATOM 0 HB3 ASP A 1 -6.433 13.962 82.754 1.00 4.31 H new ATOM 15 N VAL A 2 -7.208 14.358 80.471 1.00 72.12 N ATOM 16 CA VAL A 2 -7.447 13.808 79.133 1.00 65.50 C ATOM 17 C VAL A 2 -7.699 12.308 79.229 1.00 40.21 C ATOM 18 O VAL A 2 -7.014 11.601 79.969 1.00 54.31 O ATOM 19 CB VAL A 2 -6.238 14.070 78.231 1.00 42.24 C ATOM 20 CG1 VAL A 2 -6.544 13.587 76.811 1.00 71.33 C ATOM 21 CG2 VAL A 2 -5.941 15.571 78.203 1.00 32.35 C ATOM 0 H VAL A 2 -6.374 13.991 80.929 1.00 72.12 H new ATOM 0 HA VAL A 2 -8.322 14.295 78.703 1.00 65.50 H new ATOM 0 HB VAL A 2 -5.373 13.533 78.619 1.00 42.24 H new ATOM 0 HG11 VAL A 2 -5.683 13.774 76.170 1.00 71.33 H new ATOM 0 HG12 VAL A 2 -6.758 12.518 76.828 1.00 71.33 H new ATOM 0 HG13 VAL A 2 -7.409 14.124 76.422 1.00 71.33 H new ATOM 0 HG21 VAL A 2 -5.080 15.760 77.561 1.00 32.35 H new ATOM 0 HG22 VAL A 2 -6.808 16.106 77.815 1.00 32.35 H new ATOM 0 HG23 VAL A 2 -5.723 15.918 79.213 1.00 32.35 H new ATOM 31 N ASP A 3 -8.702 11.827 78.494 1.00 64.54 N ATOM 32 CA ASP A 3 -9.061 10.405 78.517 1.00 51.40 C ATOM 33 C ASP A 3 -9.372 9.889 77.129 1.00 55.22 C ATOM 34 O ASP A 3 -9.234 10.608 76.141 1.00 31.52 O ATOM 35 CB ASP A 3 -10.242 10.145 79.441 1.00 2.12 C ATOM 36 CG ASP A 3 -11.503 10.829 78.915 1.00 2.21 C ATOM 37 OD1 ASP A 3 -11.497 11.251 77.770 1.00 53.33 O ATOM 38 OD2 ASP A 3 -12.457 10.926 79.670 1.00 31.33 O ATOM 0 H ASP A 3 -9.280 12.397 77.877 1.00 64.54 H new ATOM 0 HA ASP A 3 -8.194 9.867 78.900 1.00 51.40 H new ATOM 0 HB2 ASP A 3 -10.413 9.072 79.526 1.00 2.12 H new ATOM 0 HB3 ASP A 3 -10.014 10.512 80.442 1.00 2.12 H new ATOM 43 N ASN A 4 -9.723 8.608 77.071 1.00 21.22 N ATOM 44 CA ASN A 4 -9.987 7.941 75.810 1.00 74.53 C ATOM 45 C ASN A 4 -8.711 7.999 74.999 1.00 2.31 C ATOM 46 O ASN A 4 -8.708 8.224 73.788 1.00 73.04 O ATOM 47 CB ASN A 4 -11.128 8.644 75.078 1.00 35.42 C ATOM 48 CG ASN A 4 -12.350 8.669 75.982 1.00 15.25 C ATOM 49 OD1 ASN A 4 -12.686 7.660 76.604 1.00 73.42 O ATOM 50 ND2 ASN A 4 -12.992 9.788 76.151 1.00 41.51 N ATOM 0 H ASN A 4 -9.831 8.011 77.891 1.00 21.22 H new ATOM 0 HA ASN A 4 -10.288 6.905 75.968 1.00 74.53 H new ATOM 0 HB2 ASN A 4 -10.836 9.660 74.811 1.00 35.42 H new ATOM 0 HB3 ASN A 4 -11.357 8.123 74.148 1.00 35.42 H new ATOM 0 HD21 ASN A 4 -13.777 9.832 76.801 1.00 41.51 H new ATOM 0 HD22 ASN A 4 -12.710 10.621 75.634 1.00 41.51 H new ATOM 57 N LYS A 5 -7.625 7.767 75.723 1.00 24.34 N ATOM 58 CA LYS A 5 -6.289 7.753 75.166 1.00 63.52 C ATOM 59 C LYS A 5 -6.185 6.699 74.072 1.00 65.42 C ATOM 60 O LYS A 5 -5.484 6.882 73.077 1.00 22.02 O ATOM 61 CB LYS A 5 -5.307 7.461 76.299 1.00 32.14 C ATOM 62 CG LYS A 5 -5.335 8.613 77.306 1.00 62.41 C ATOM 63 CD LYS A 5 -4.273 8.376 78.381 1.00 65.43 C ATOM 64 CE LYS A 5 -4.382 9.460 79.455 1.00 5.34 C ATOM 65 NZ LYS A 5 -3.249 9.323 80.415 1.00 2.24 N ATOM 0 H LYS A 5 -7.652 7.581 76.726 1.00 24.34 H new ATOM 0 HA LYS A 5 -6.055 8.718 74.715 1.00 63.52 H new ATOM 0 HB2 LYS A 5 -5.572 6.526 76.792 1.00 32.14 H new ATOM 0 HB3 LYS A 5 -4.300 7.337 75.900 1.00 32.14 H new ATOM 0 HG2 LYS A 5 -5.149 9.559 76.798 1.00 62.41 H new ATOM 0 HG3 LYS A 5 -6.321 8.686 77.764 1.00 62.41 H new ATOM 0 HD2 LYS A 5 -4.407 7.391 78.829 1.00 65.43 H new ATOM 0 HD3 LYS A 5 -3.279 8.391 77.934 1.00 65.43 H new ATOM 0 HE2 LYS A 5 -4.365 10.447 78.994 1.00 5.34 H new ATOM 0 HE3 LYS A 5 -5.332 9.371 79.982 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 -3.322 10.059 81.146 1.00 2.24 H new ATOM 0 HZ2 LYS A 5 -3.286 8.385 80.864 1.00 2.24 H new ATOM 0 HZ3 LYS A 5 -2.348 9.428 79.906 1.00 2.24 H new ATOM 79 N PHE A 6 -6.902 5.595 74.269 1.00 34.42 N ATOM 80 CA PHE A 6 -6.920 4.495 73.305 1.00 65.23 C ATOM 81 C PHE A 6 -8.354 4.029 73.098 1.00 31.13 C ATOM 82 O PHE A 6 -9.235 4.333 73.902 1.00 43.25 O ATOM 83 CB PHE A 6 -6.065 3.331 73.813 1.00 73.01 C ATOM 84 CG PHE A 6 -6.682 2.752 75.062 1.00 30.30 C ATOM 85 CD1 PHE A 6 -6.402 3.320 76.311 1.00 30.30 C ATOM 86 CD2 PHE A 6 -7.533 1.644 74.972 1.00 1.34 C ATOM 87 CE1 PHE A 6 -6.974 2.779 77.470 1.00 32.22 C ATOM 88 CE2 PHE A 6 -8.105 1.103 76.129 1.00 5.13 C ATOM 89 CZ PHE A 6 -7.825 1.670 77.378 1.00 14.35 C ATOM 0 H PHE A 6 -7.482 5.437 75.093 1.00 34.42 H new ATOM 0 HA PHE A 6 -6.508 4.843 72.358 1.00 65.23 H new ATOM 0 HB2 PHE A 6 -5.987 2.562 73.044 1.00 73.01 H new ATOM 0 HB3 PHE A 6 -5.052 3.676 74.022 1.00 73.01 H new ATOM 0 HD1 PHE A 6 -5.745 4.175 76.381 1.00 30.30 H new ATOM 0 HD2 PHE A 6 -7.748 1.206 74.008 1.00 1.34 H new ATOM 0 HE1 PHE A 6 -6.759 3.217 78.434 1.00 32.22 H new ATOM 0 HE2 PHE A 6 -8.762 0.249 76.058 1.00 5.13 H new ATOM 0 HZ PHE A 6 -8.265 1.252 78.271 1.00 14.35 H new ATOM 99 N ASN A 7 -8.591 3.297 72.012 1.00 24.33 N ATOM 100 CA ASN A 7 -9.931 2.801 71.698 1.00 2.44 C ATOM 101 C ASN A 7 -10.030 1.329 72.084 1.00 4.24 C ATOM 102 O ASN A 7 -9.138 0.534 71.785 1.00 63.22 O ATOM 103 CB ASN A 7 -10.236 2.982 70.214 1.00 1.34 C ATOM 104 CG ASN A 7 -11.689 2.623 69.948 1.00 61.41 C ATOM 105 OD1 ASN A 7 -11.977 1.569 69.404 1.00 31.24 O ATOM 106 ND2 ASN A 7 -12.631 3.452 70.306 1.00 44.11 N ATOM 0 H ASN A 7 -7.875 3.034 71.335 1.00 24.33 H new ATOM 0 HA ASN A 7 -10.664 3.373 72.267 1.00 2.44 H new ATOM 0 HB2 ASN A 7 -10.044 4.013 69.915 1.00 1.34 H new ATOM 0 HB3 ASN A 7 -9.579 2.350 69.617 1.00 1.34 H new ATOM 0 HD21 ASN A 7 -13.609 3.219 70.131 1.00 44.11 H new ATOM 0 HD22 ASN A 7 -12.390 4.333 70.761 1.00 44.11 H new ATOM 113 N LYS A 8 -11.086 0.974 72.793 1.00 61.30 N ATOM 114 CA LYS A 8 -11.235 -0.397 73.254 1.00 61.55 C ATOM 115 C LYS A 8 -11.184 -1.377 72.080 1.00 72.40 C ATOM 116 O LYS A 8 -10.609 -2.457 72.208 1.00 42.23 O ATOM 117 CB LYS A 8 -12.563 -0.545 74.002 1.00 32.14 C ATOM 118 CG LYS A 8 -12.666 -1.944 74.617 1.00 14.23 C ATOM 119 CD LYS A 8 -14.024 -2.095 75.309 1.00 51.30 C ATOM 120 CE LYS A 8 -14.074 -3.424 76.069 1.00 52.51 C ATOM 121 NZ LYS A 8 -13.314 -3.295 77.345 1.00 71.20 N ATOM 0 H LYS A 8 -11.843 1.603 73.060 1.00 61.30 H new ATOM 0 HA LYS A 8 -10.409 -0.629 73.927 1.00 61.55 H new ATOM 0 HB2 LYS A 8 -12.635 0.211 74.784 1.00 32.14 H new ATOM 0 HB3 LYS A 8 -13.395 -0.377 73.318 1.00 32.14 H new ATOM 0 HG2 LYS A 8 -12.553 -2.703 73.843 1.00 14.23 H new ATOM 0 HG3 LYS A 8 -11.860 -2.098 75.335 1.00 14.23 H new ATOM 0 HD2 LYS A 8 -14.186 -1.266 75.997 1.00 51.30 H new ATOM 0 HD3 LYS A 8 -14.825 -2.057 74.571 1.00 51.30 H new ATOM 0 HE2 LYS A 8 -15.108 -3.699 76.275 1.00 52.51 H new ATOM 0 HE3 LYS A 8 -13.649 -4.221 75.459 1.00 52.51 H new ATOM 0 HZ1 LYS A 8 -12.747 -4.153 77.500 1.00 71.20 H new ATOM 0 HZ2 LYS A 8 -12.685 -2.469 77.292 1.00 71.20 H new ATOM 0 HZ3 LYS A 8 -13.980 -3.173 78.135 1.00 71.20 H new ATOM 135 N GLU A 9 -11.757 -1.011 70.934 1.00 72.23 N ATOM 136 CA GLU A 9 -11.708 -1.914 69.784 1.00 15.52 C ATOM 137 C GLU A 9 -10.254 -2.127 69.364 1.00 22.04 C ATOM 138 O GLU A 9 -9.887 -3.201 68.896 1.00 4.12 O ATOM 139 CB GLU A 9 -12.507 -1.367 68.591 1.00 2.22 C ATOM 140 CG GLU A 9 -13.999 -1.277 68.940 1.00 55.14 C ATOM 141 CD GLU A 9 -14.570 -2.658 69.256 1.00 44.44 C ATOM 142 OE1 GLU A 9 -13.952 -3.639 68.875 1.00 40.33 O ATOM 143 OE2 GLU A 9 -15.632 -2.712 69.854 1.00 35.20 O ATOM 0 H GLU A 9 -12.244 -0.129 70.778 1.00 72.23 H new ATOM 0 HA GLU A 9 -12.159 -2.860 70.085 1.00 15.52 H new ATOM 0 HB2 GLU A 9 -12.132 -0.381 68.315 1.00 2.22 H new ATOM 0 HB3 GLU A 9 -12.368 -2.014 67.725 1.00 2.22 H new ATOM 0 HG2 GLU A 9 -14.137 -0.618 69.797 1.00 55.14 H new ATOM 0 HG3 GLU A 9 -14.545 -0.835 68.107 1.00 55.14 H new ATOM 150 N GLN A 10 -9.428 -1.092 69.532 1.00 44.42 N ATOM 151 CA GLN A 10 -8.016 -1.187 69.159 1.00 55.14 C ATOM 152 C GLN A 10 -7.352 -2.351 69.873 1.00 44.55 C ATOM 153 O GLN A 10 -6.497 -3.029 69.305 1.00 74.40 O ATOM 154 CB GLN A 10 -7.269 0.105 69.499 1.00 42.31 C ATOM 155 CG GLN A 10 -5.857 0.048 68.908 1.00 54.11 C ATOM 156 CD GLN A 10 -5.072 1.292 69.312 1.00 24.14 C ATOM 157 OE1 GLN A 10 -3.877 1.391 69.034 1.00 71.44 O ATOM 158 NE2 GLN A 10 -5.676 2.253 69.955 1.00 70.02 N ATOM 0 H GLN A 10 -9.708 -0.190 69.918 1.00 44.42 H new ATOM 0 HA GLN A 10 -7.971 -1.349 68.082 1.00 55.14 H new ATOM 0 HB2 GLN A 10 -7.807 0.965 69.100 1.00 42.31 H new ATOM 0 HB3 GLN A 10 -7.218 0.234 70.580 1.00 42.31 H new ATOM 0 HG2 GLN A 10 -5.343 -0.847 69.259 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -5.911 -0.021 67.822 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -6.666 2.169 70.185 1.00 70.02 H new ATOM 0 HE22 GLN A 10 -5.158 3.088 70.228 1.00 70.02 H new ATOM 167 N GLN A 11 -7.739 -2.579 71.121 1.00 23.31 N ATOM 168 CA GLN A 11 -7.142 -3.671 71.876 1.00 35.21 C ATOM 169 C GLN A 11 -7.298 -4.969 71.090 1.00 31.32 C ATOM 170 O GLN A 11 -6.385 -5.797 71.050 1.00 14.42 O ATOM 171 CB GLN A 11 -7.829 -3.802 73.239 1.00 43.44 C ATOM 172 CG GLN A 11 -7.072 -4.805 74.115 1.00 25.43 C ATOM 173 CD GLN A 11 -5.754 -4.199 74.585 1.00 5.02 C ATOM 174 OE1 GLN A 11 -5.750 -3.202 75.306 1.00 45.33 O ATOM 175 NE2 GLN A 11 -4.628 -4.749 74.222 1.00 62.12 N ATOM 0 H GLN A 11 -8.445 -2.038 71.621 1.00 23.31 H new ATOM 0 HA GLN A 11 -6.083 -3.466 72.035 1.00 35.21 H new ATOM 0 HB2 GLN A 11 -7.864 -2.831 73.732 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -8.860 -4.129 73.105 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -7.682 -5.081 74.975 1.00 25.43 H new ATOM 0 HG3 GLN A 11 -6.881 -5.719 73.553 1.00 25.43 H new ATOM 0 HE21 GLN A 11 -4.633 -5.575 73.624 1.00 62.12 H new ATOM 0 HE22 GLN A 11 -3.742 -4.353 74.536 1.00 62.12 H new ATOM 184 N ASN A 12 -8.443 -5.125 70.434 1.00 13.41 N ATOM 185 CA ASN A 12 -8.678 -6.310 69.620 1.00 72.10 C ATOM 186 C ASN A 12 -7.581 -6.460 68.579 1.00 64.04 C ATOM 187 O ASN A 12 -7.152 -7.571 68.267 1.00 71.12 O ATOM 188 CB ASN A 12 -10.029 -6.210 68.906 1.00 65.50 C ATOM 189 CG ASN A 12 -10.340 -7.522 68.194 1.00 14.44 C ATOM 190 OD1 ASN A 12 -10.250 -7.600 66.968 1.00 30.24 O ATOM 191 ND2 ASN A 12 -10.685 -8.564 68.889 1.00 22.34 N ATOM 0 H ASN A 12 -9.212 -4.456 70.449 1.00 13.41 H new ATOM 0 HA ASN A 12 -8.679 -7.178 70.279 1.00 72.10 H new ATOM 0 HB2 ASN A 12 -10.815 -5.982 69.627 1.00 65.50 H new ATOM 0 HB3 ASN A 12 -10.010 -5.392 68.186 1.00 65.50 H new ATOM 0 HD21 ASN A 12 -10.882 -9.448 68.419 1.00 22.34 H new ATOM 0 HD22 ASN A 12 -10.759 -8.498 69.904 1.00 22.34 H new ATOM 198 N ALA A 13 -7.143 -5.332 68.027 1.00 31.21 N ATOM 199 CA ALA A 13 -6.113 -5.357 67.006 1.00 71.52 C ATOM 200 C ALA A 13 -4.808 -5.920 67.540 1.00 24.53 C ATOM 201 O ALA A 13 -4.092 -6.611 66.823 1.00 54.55 O ATOM 202 CB ALA A 13 -5.874 -3.934 66.484 1.00 63.24 C ATOM 0 H ALA A 13 -7.484 -4.402 68.269 1.00 31.21 H new ATOM 0 HA ALA A 13 -6.457 -6.004 66.199 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -5.100 -3.953 65.717 1.00 63.24 H new ATOM 0 HB2 ALA A 13 -6.798 -3.543 66.058 1.00 63.24 H new ATOM 0 HB3 ALA A 13 -5.554 -3.294 67.306 1.00 63.24 H new ATOM 208 N PHE A 14 -4.494 -5.621 68.795 1.00 65.22 N ATOM 209 CA PHE A 14 -3.252 -6.109 69.370 1.00 35.44 C ATOM 210 C PHE A 14 -3.204 -7.634 69.320 1.00 4.41 C ATOM 211 O PHE A 14 -2.199 -8.217 68.914 1.00 71.43 O ATOM 212 CB PHE A 14 -3.147 -5.608 70.814 1.00 55.01 C ATOM 213 CG PHE A 14 -1.810 -5.975 71.410 1.00 50.04 C ATOM 214 CD1 PHE A 14 -0.696 -5.160 71.176 1.00 74.13 C ATOM 215 CD2 PHE A 14 -1.685 -7.120 72.204 1.00 43.20 C ATOM 216 CE1 PHE A 14 0.544 -5.491 71.733 1.00 14.34 C ATOM 217 CE2 PHE A 14 -0.445 -7.448 72.765 1.00 42.42 C ATOM 218 CZ PHE A 14 0.669 -6.635 72.530 1.00 2.31 C ATOM 0 H PHE A 14 -5.069 -5.056 69.420 1.00 65.22 H new ATOM 0 HA PHE A 14 -2.407 -5.733 68.794 1.00 35.44 H new ATOM 0 HB2 PHE A 14 -3.277 -4.526 70.839 1.00 55.01 H new ATOM 0 HB3 PHE A 14 -3.949 -6.040 71.413 1.00 55.01 H new ATOM 0 HD1 PHE A 14 -0.794 -4.275 70.565 1.00 74.13 H new ATOM 0 HD2 PHE A 14 -2.544 -7.750 72.384 1.00 43.20 H new ATOM 0 HE1 PHE A 14 1.404 -4.864 71.548 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -0.348 -8.330 73.380 1.00 42.42 H new ATOM 0 HZ PHE A 14 1.625 -6.890 72.963 1.00 2.31 H new ATOM 228 N TRP A 15 -4.307 -8.275 69.701 1.00 12.23 N ATOM 229 CA TRP A 15 -4.380 -9.733 69.653 1.00 25.15 C ATOM 230 C TRP A 15 -4.200 -10.291 68.246 1.00 25.25 C ATOM 231 O TRP A 15 -3.600 -11.352 68.071 1.00 74.33 O ATOM 232 CB TRP A 15 -5.705 -10.229 70.240 1.00 34.13 C ATOM 233 CG TRP A 15 -5.693 -10.027 71.718 1.00 51.05 C ATOM 234 CD1 TRP A 15 -6.358 -9.062 72.391 1.00 42.54 C ATOM 235 CD2 TRP A 15 -4.978 -10.809 72.712 1.00 12.12 C ATOM 236 NE1 TRP A 15 -6.093 -9.203 73.743 1.00 41.15 N ATOM 237 CE2 TRP A 15 -5.246 -10.268 73.990 1.00 34.20 C ATOM 238 CE3 TRP A 15 -4.127 -11.928 72.624 1.00 4.10 C ATOM 239 CZ2 TRP A 15 -4.689 -10.818 75.146 1.00 4.31 C ATOM 240 CZ3 TRP A 15 -3.564 -12.483 73.786 1.00 73.32 C ATOM 241 CH2 TRP A 15 -3.846 -11.928 75.044 1.00 14.45 C ATOM 0 H TRP A 15 -5.151 -7.815 70.042 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.550 -10.100 70.257 1.00 25.15 H new ATOM 0 HB2 TRP A 15 -6.539 -9.688 69.794 1.00 34.13 H new ATOM 0 HB3 TRP A 15 -5.848 -11.284 70.006 1.00 34.13 H new ATOM 0 HD1 TRP A 15 -6.991 -8.307 71.948 1.00 42.54 H new ATOM 0 HE1 TRP A 15 -6.476 -8.596 74.468 1.00 41.15 H new ATOM 0 HE3 TRP A 15 -3.906 -12.361 71.660 1.00 4.10 H new ATOM 0 HZ2 TRP A 15 -4.908 -10.389 76.112 1.00 4.31 H new ATOM 0 HZ3 TRP A 15 -2.912 -13.340 73.711 1.00 73.32 H new ATOM 0 HH2 TRP A 15 -3.411 -12.359 75.934 1.00 14.45 H new ATOM 252 N GLU A 16 -4.745 -9.605 67.245 1.00 74.21 N ATOM 253 CA GLU A 16 -4.639 -10.112 65.884 1.00 41.10 C ATOM 254 C GLU A 16 -3.187 -10.183 65.441 1.00 51.32 C ATOM 255 O GLU A 16 -2.792 -11.117 64.740 1.00 41.00 O ATOM 256 CB GLU A 16 -5.421 -9.200 64.929 1.00 2.25 C ATOM 257 CG GLU A 16 -6.922 -9.248 65.248 1.00 70.52 C ATOM 258 CD GLU A 16 -7.477 -10.659 65.060 1.00 51.23 C ATOM 259 OE1 GLU A 16 -6.833 -11.446 64.384 1.00 3.24 O ATOM 260 OE2 GLU A 16 -8.550 -10.924 65.576 1.00 0.43 O ATOM 0 H GLU A 16 -5.249 -8.724 67.346 1.00 74.21 H new ATOM 0 HA GLU A 16 -5.058 -11.118 65.861 1.00 41.10 H new ATOM 0 HB2 GLU A 16 -5.057 -8.176 65.015 1.00 2.25 H new ATOM 0 HB3 GLU A 16 -5.252 -9.512 63.898 1.00 2.25 H new ATOM 0 HG2 GLU A 16 -7.090 -8.921 66.274 1.00 70.52 H new ATOM 0 HG3 GLU A 16 -7.457 -8.554 64.601 1.00 70.52 H new ATOM 267 N ILE A 17 -2.381 -9.217 65.871 1.00 1.12 N ATOM 268 CA ILE A 17 -0.974 -9.236 65.514 1.00 74.12 C ATOM 269 C ILE A 17 -0.319 -10.499 66.064 1.00 52.43 C ATOM 270 O ILE A 17 0.475 -11.150 65.389 1.00 71.24 O ATOM 271 CB ILE A 17 -0.271 -7.985 66.080 1.00 31.21 C ATOM 272 CG1 ILE A 17 -0.966 -6.694 65.591 1.00 21.11 C ATOM 273 CG2 ILE A 17 1.213 -7.968 65.657 1.00 5.42 C ATOM 274 CD1 ILE A 17 -1.235 -6.741 64.084 1.00 11.10 C ATOM 0 H ILE A 17 -2.672 -8.431 66.453 1.00 1.12 H new ATOM 0 HA ILE A 17 -0.880 -9.232 64.428 1.00 74.12 H new ATOM 0 HB ILE A 17 -0.335 -8.025 67.167 1.00 31.21 H new ATOM 0 HG12 ILE A 17 -1.906 -6.560 66.126 1.00 21.11 H new ATOM 0 HG13 ILE A 17 -0.341 -5.832 65.824 1.00 21.11 H new ATOM 0 HG21 ILE A 17 1.697 -7.080 66.063 1.00 5.42 H new ATOM 0 HG22 ILE A 17 1.711 -8.859 66.039 1.00 5.42 H new ATOM 0 HG23 ILE A 17 1.281 -7.953 64.569 1.00 5.42 H new ATOM 0 HD11 ILE A 17 -1.724 -5.818 63.773 1.00 11.10 H new ATOM 0 HD12 ILE A 17 -0.291 -6.850 63.549 1.00 11.10 H new ATOM 0 HD13 ILE A 17 -1.881 -7.589 63.856 1.00 11.10 H new ATOM 286 N LEU A 18 -0.657 -10.833 67.306 1.00 13.32 N ATOM 287 CA LEU A 18 -0.100 -12.020 67.943 1.00 64.35 C ATOM 288 C LEU A 18 -0.518 -13.308 67.229 1.00 73.55 C ATOM 289 O LEU A 18 0.231 -14.283 67.182 1.00 1.11 O ATOM 290 CB LEU A 18 -0.620 -12.121 69.382 1.00 23.24 C ATOM 291 CG LEU A 18 -0.285 -10.859 70.194 1.00 32.10 C ATOM 292 CD1 LEU A 18 -0.710 -11.072 71.656 1.00 51.45 C ATOM 293 CD2 LEU A 18 1.219 -10.552 70.125 1.00 62.50 C ATOM 0 H LEU A 18 -1.308 -10.304 67.886 1.00 13.32 H new ATOM 0 HA LEU A 18 0.985 -11.919 67.905 1.00 64.35 H new ATOM 0 HB2 LEU A 18 -1.700 -12.271 69.370 1.00 23.24 H new ATOM 0 HB3 LEU A 18 -0.183 -12.994 69.867 1.00 23.24 H new ATOM 0 HG LEU A 18 -0.826 -10.012 69.772 1.00 32.10 H new ATOM 0 HD11 LEU A 18 -0.475 -10.180 72.237 1.00 51.45 H new ATOM 0 HD12 LEU A 18 -1.783 -11.261 71.699 1.00 51.45 H new ATOM 0 HD13 LEU A 18 -0.174 -11.926 72.070 1.00 51.45 H new ATOM 0 HD21 LEU A 18 1.434 -9.655 70.706 1.00 62.50 H new ATOM 0 HD22 LEU A 18 1.781 -11.392 70.533 1.00 62.50 H new ATOM 0 HD23 LEU A 18 1.510 -10.390 69.087 1.00 62.50 H new ATOM 305 N HIS A 19 -1.767 -13.321 66.762 1.00 44.31 N ATOM 306 CA HIS A 19 -2.349 -14.514 66.146 1.00 21.24 C ATOM 307 C HIS A 19 -1.637 -15.041 64.894 1.00 30.12 C ATOM 308 O HIS A 19 -1.436 -16.240 64.778 1.00 12.43 O ATOM 309 CB HIS A 19 -3.807 -14.226 65.789 1.00 12.43 C ATOM 310 CG HIS A 19 -4.450 -15.477 65.255 1.00 42.34 C ATOM 311 ND1 HIS A 19 -4.652 -16.599 66.044 1.00 65.23 N ATOM 312 CD2 HIS A 19 -4.941 -15.800 64.014 1.00 34.10 C ATOM 313 CE1 HIS A 19 -5.241 -17.534 65.278 1.00 13.41 C ATOM 314 NE2 HIS A 19 -5.440 -17.099 64.031 1.00 31.43 N ATOM 0 H HIS A 19 -2.395 -12.518 66.799 1.00 44.31 H new ATOM 0 HA HIS A 19 -2.240 -15.299 66.894 1.00 21.24 H new ATOM 0 HB2 HIS A 19 -4.345 -13.875 66.669 1.00 12.43 H new ATOM 0 HB3 HIS A 19 -3.860 -13.431 65.045 1.00 12.43 H new ATOM 0 HD2 HIS A 19 -4.940 -15.145 63.155 1.00 34.10 H new ATOM 0 HE1 HIS A 19 -5.519 -18.517 65.628 1.00 13.41 H new ATOM 0 HE2 HIS A 19 -5.866 -17.609 63.257 1.00 31.43 H new ATOM 323 N LEU A 20 -1.290 -14.150 63.965 1.00 53.41 N ATOM 324 CA LEU A 20 -0.667 -14.549 62.681 1.00 33.53 C ATOM 325 C LEU A 20 0.276 -15.765 62.823 1.00 54.01 C ATOM 326 O LEU A 20 1.472 -15.586 63.064 1.00 31.14 O ATOM 327 CB LEU A 20 0.119 -13.355 62.106 1.00 25.23 C ATOM 328 CG LEU A 20 -0.593 -12.037 62.423 1.00 15.11 C ATOM 329 CD1 LEU A 20 0.155 -10.882 61.754 1.00 11.51 C ATOM 330 CD2 LEU A 20 -2.027 -12.085 61.892 1.00 14.15 C ATOM 0 H LEU A 20 -1.426 -13.144 64.068 1.00 53.41 H new ATOM 0 HA LEU A 20 -1.472 -14.845 62.008 1.00 33.53 H new ATOM 0 HB2 LEU A 20 1.126 -13.340 62.524 1.00 25.23 H new ATOM 0 HB3 LEU A 20 0.224 -13.468 61.027 1.00 25.23 H new ATOM 0 HG LEU A 20 -0.611 -11.888 63.503 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -0.350 -9.943 61.978 1.00 11.51 H new ATOM 0 HD12 LEU A 20 1.177 -10.843 62.131 1.00 11.51 H new ATOM 0 HD13 LEU A 20 0.172 -11.036 60.675 1.00 11.51 H new ATOM 0 HD21 LEU A 20 -2.531 -11.146 62.119 1.00 14.15 H new ATOM 0 HD22 LEU A 20 -2.010 -12.236 60.813 1.00 14.15 H new ATOM 0 HD23 LEU A 20 -2.563 -12.908 62.365 1.00 14.15 H new ATOM 342 N PRO A 21 -0.214 -17.003 62.713 1.00 5.43 N ATOM 343 CA PRO A 21 0.673 -18.202 62.896 1.00 4.55 C ATOM 344 C PRO A 21 1.727 -18.356 61.792 1.00 42.01 C ATOM 345 O PRO A 21 2.854 -18.783 62.043 1.00 40.55 O ATOM 346 CB PRO A 21 -0.312 -19.382 62.912 1.00 51.03 C ATOM 347 CG PRO A 21 -1.481 -18.923 62.099 1.00 52.01 C ATOM 348 CD PRO A 21 -1.597 -17.407 62.323 1.00 10.12 C ATOM 0 HA PRO A 21 1.269 -18.125 63.806 1.00 4.55 H new ATOM 0 HB2 PRO A 21 0.139 -20.278 62.484 1.00 51.03 H new ATOM 0 HB3 PRO A 21 -0.613 -19.631 63.930 1.00 51.03 H new ATOM 0 HG2 PRO A 21 -1.333 -19.149 61.043 1.00 52.01 H new ATOM 0 HG3 PRO A 21 -2.394 -19.432 62.409 1.00 52.01 H new ATOM 0 HD2 PRO A 21 -1.925 -16.892 61.420 1.00 10.12 H new ATOM 0 HD3 PRO A 21 -2.319 -17.171 63.105 1.00 10.12 H new ATOM 356 N ASN A 22 1.330 -18.013 60.570 1.00 21.44 N ATOM 357 CA ASN A 22 2.205 -18.116 59.402 1.00 1.13 C ATOM 358 C ASN A 22 3.484 -17.294 59.536 1.00 54.44 C ATOM 359 O ASN A 22 4.527 -17.662 58.996 1.00 64.32 O ATOM 360 CB ASN A 22 1.457 -17.709 58.131 1.00 64.41 C ATOM 361 CG ASN A 22 0.323 -18.696 57.848 1.00 1.31 C ATOM 362 OD1 ASN A 22 0.301 -19.792 58.408 1.00 33.00 O ATOM 363 ND2 ASN A 22 -0.613 -18.383 56.986 1.00 41.12 N ATOM 0 H ASN A 22 0.397 -17.657 60.360 1.00 21.44 H new ATOM 0 HA ASN A 22 2.503 -19.162 59.336 1.00 1.13 H new ATOM 0 HB2 ASN A 22 1.054 -16.703 58.244 1.00 64.41 H new ATOM 0 HB3 ASN A 22 2.146 -17.683 57.287 1.00 64.41 H new ATOM 0 HD21 ASN A 22 -1.359 -19.047 56.780 1.00 41.12 H new ATOM 0 HD22 ASN A 22 -0.596 -17.475 56.522 1.00 41.12 H new ATOM 370 N LEU A 23 3.384 -16.159 60.213 1.00 72.44 N ATOM 371 CA LEU A 23 4.521 -15.249 60.365 1.00 24.15 C ATOM 372 C LEU A 23 5.335 -15.550 61.613 1.00 4.35 C ATOM 373 O LEU A 23 4.787 -15.894 62.661 1.00 20.33 O ATOM 374 CB LEU A 23 4.028 -13.796 60.431 1.00 62.31 C ATOM 375 CG LEU A 23 3.346 -13.370 59.107 1.00 5.24 C ATOM 376 CD1 LEU A 23 1.916 -13.964 58.968 1.00 2.41 C ATOM 377 CD2 LEU A 23 3.294 -11.825 59.046 1.00 50.21 C ATOM 0 H LEU A 23 2.528 -15.842 60.668 1.00 72.44 H new ATOM 0 HA LEU A 23 5.163 -15.394 59.496 1.00 24.15 H new ATOM 0 HB2 LEU A 23 3.324 -13.686 61.256 1.00 62.31 H new ATOM 0 HB3 LEU A 23 4.869 -13.134 60.638 1.00 62.31 H new ATOM 0 HG LEU A 23 3.933 -13.761 58.276 1.00 5.24 H new ATOM 0 HD11 LEU A 23 1.477 -13.639 58.025 1.00 2.41 H new ATOM 0 HD12 LEU A 23 1.971 -15.052 58.986 1.00 2.41 H new ATOM 0 HD13 LEU A 23 1.296 -13.618 59.795 1.00 2.41 H new ATOM 0 HD21 LEU A 23 2.816 -11.513 58.117 1.00 50.21 H new ATOM 0 HD22 LEU A 23 2.723 -11.446 59.893 1.00 50.21 H new ATOM 0 HD23 LEU A 23 4.307 -11.425 59.084 1.00 50.21 H new ATOM 389 N ASN A 24 6.657 -15.399 61.493 1.00 53.33 N ATOM 390 CA ASN A 24 7.544 -15.638 62.622 1.00 34.12 C ATOM 391 C ASN A 24 7.510 -14.429 63.545 1.00 21.20 C ATOM 392 O ASN A 24 6.887 -13.417 63.225 1.00 4.03 O ATOM 393 CB ASN A 24 8.979 -15.924 62.153 1.00 54.45 C ATOM 394 CG ASN A 24 9.651 -14.671 61.592 1.00 14.24 C ATOM 395 OD1 ASN A 24 8.999 -13.545 61.531 1.00 52.10 O flip ATOM 396 ND2 ASN A 24 10.811 -14.728 61.184 1.00 10.10 N flip ATOM 0 H ASN A 24 7.127 -15.115 60.633 1.00 53.33 H new ATOM 0 HA ASN A 24 7.199 -16.519 63.163 1.00 34.12 H new ATOM 0 HB2 ASN A 24 9.565 -16.308 62.988 1.00 54.45 H new ATOM 0 HB3 ASN A 24 8.964 -16.702 61.389 1.00 54.45 H new ATOM 0 HD21 ASN A 24 11.325 -15.608 61.230 1.00 10.10 H new ATOM 0 HD22 ASN A 24 11.258 -13.895 60.800 1.00 10.10 H new ATOM 403 N GLU A 25 8.128 -14.548 64.703 1.00 2.50 N ATOM 404 CA GLU A 25 8.099 -13.464 65.672 1.00 70.01 C ATOM 405 C GLU A 25 8.746 -12.161 65.176 1.00 23.41 C ATOM 406 O GLU A 25 8.303 -11.083 65.560 1.00 54.44 O ATOM 407 CB GLU A 25 8.807 -13.919 66.947 1.00 41.34 C ATOM 408 CG GLU A 25 8.026 -15.074 67.578 1.00 14.41 C ATOM 409 CD GLU A 25 8.686 -15.494 68.887 1.00 31.22 C ATOM 410 OE1 GLU A 25 9.773 -15.014 69.160 1.00 60.43 O ATOM 411 OE2 GLU A 25 8.094 -16.291 69.596 1.00 53.54 O ATOM 0 H GLU A 25 8.651 -15.373 64.996 1.00 2.50 H new ATOM 0 HA GLU A 25 7.048 -13.237 65.851 1.00 70.01 H new ATOM 0 HB2 GLU A 25 9.824 -14.236 66.718 1.00 41.34 H new ATOM 0 HB3 GLU A 25 8.882 -13.089 67.650 1.00 41.34 H new ATOM 0 HG2 GLU A 25 6.995 -14.770 67.762 1.00 14.41 H new ATOM 0 HG3 GLU A 25 7.991 -15.919 66.891 1.00 14.41 H new ATOM 418 N GLU A 26 9.808 -12.219 64.372 1.00 15.03 N ATOM 419 CA GLU A 26 10.431 -10.960 63.952 1.00 73.00 C ATOM 420 C GLU A 26 9.470 -10.076 63.142 1.00 60.10 C ATOM 421 O GLU A 26 9.406 -8.857 63.354 1.00 20.24 O ATOM 422 CB GLU A 26 11.681 -11.263 63.117 1.00 33.15 C ATOM 423 CG GLU A 26 12.430 -9.964 62.794 1.00 23.24 C ATOM 424 CD GLU A 26 13.615 -10.262 61.883 1.00 21.30 C ATOM 425 OE1 GLU A 26 13.790 -11.417 61.529 1.00 64.52 O ATOM 426 OE2 GLU A 26 14.331 -9.332 61.552 1.00 33.33 O ATOM 0 H GLU A 26 10.237 -13.072 64.014 1.00 15.03 H new ATOM 0 HA GLU A 26 10.701 -10.408 64.853 1.00 73.00 H new ATOM 0 HB2 GLU A 26 12.336 -11.943 63.662 1.00 33.15 H new ATOM 0 HB3 GLU A 26 11.397 -11.767 62.193 1.00 33.15 H new ATOM 0 HG2 GLU A 26 11.757 -9.256 62.310 1.00 23.24 H new ATOM 0 HG3 GLU A 26 12.777 -9.495 63.715 1.00 23.24 H new ATOM 433 N GLN A 27 8.685 -10.681 62.250 1.00 53.11 N ATOM 434 CA GLN A 27 7.716 -9.902 61.484 1.00 10.33 C ATOM 435 C GLN A 27 6.689 -9.266 62.396 1.00 42.41 C ATOM 436 O GLN A 27 6.214 -8.158 62.150 1.00 34.43 O ATOM 437 CB GLN A 27 7.006 -10.759 60.436 1.00 64.43 C ATOM 438 CG GLN A 27 8.004 -11.244 59.383 1.00 31.30 C ATOM 439 CD GLN A 27 7.273 -12.055 58.319 1.00 54.30 C ATOM 440 OE1 GLN A 27 7.007 -13.240 58.514 1.00 43.24 O ATOM 441 NE2 GLN A 27 6.922 -11.478 57.202 1.00 5.41 N ATOM 0 H GLN A 27 8.699 -11.680 62.044 1.00 53.11 H new ATOM 0 HA GLN A 27 8.273 -9.119 60.971 1.00 10.33 H new ATOM 0 HB2 GLN A 27 6.530 -11.614 60.917 1.00 64.43 H new ATOM 0 HB3 GLN A 27 6.215 -10.181 59.958 1.00 64.43 H new ATOM 0 HG2 GLN A 27 8.506 -10.392 58.924 1.00 31.30 H new ATOM 0 HG3 GLN A 27 8.776 -11.854 59.853 1.00 31.30 H new ATOM 0 HE21 GLN A 27 7.144 -10.495 57.044 1.00 5.41 H new ATOM 0 HE22 GLN A 27 6.425 -12.010 56.487 1.00 5.41 H new ATOM 450 N ARG A 28 6.325 -10.003 63.438 1.00 62.14 N ATOM 451 CA ARG A 28 5.320 -9.533 64.368 1.00 4.15 C ATOM 452 C ARG A 28 5.729 -8.187 64.957 1.00 35.40 C ATOM 453 O ARG A 28 4.906 -7.281 65.096 1.00 32.24 O ATOM 454 CB ARG A 28 5.180 -10.578 65.477 1.00 51.12 C ATOM 455 CG ARG A 28 4.041 -10.219 66.415 1.00 62.14 C ATOM 456 CD ARG A 28 4.019 -11.232 67.560 1.00 71.02 C ATOM 457 NE ARG A 28 3.790 -12.576 67.031 1.00 31.13 N ATOM 458 CZ ARG A 28 4.247 -13.657 67.661 1.00 54.21 C ATOM 459 NH1 ARG A 28 4.910 -13.533 68.779 1.00 41.20 N ATOM 460 NH2 ARG A 28 4.028 -14.843 67.161 1.00 12.35 N ATOM 0 H ARG A 28 6.711 -10.922 63.655 1.00 62.14 H new ATOM 0 HA ARG A 28 4.368 -9.396 63.856 1.00 4.15 H new ATOM 0 HB2 ARG A 28 5.000 -11.559 65.038 1.00 51.12 H new ATOM 0 HB3 ARG A 28 6.112 -10.646 66.038 1.00 51.12 H new ATOM 0 HG2 ARG A 28 4.175 -9.210 66.804 1.00 62.14 H new ATOM 0 HG3 ARG A 28 3.091 -10.231 65.880 1.00 62.14 H new ATOM 0 HD2 ARG A 28 4.964 -11.201 68.102 1.00 71.02 H new ATOM 0 HD3 ARG A 28 3.235 -10.973 68.271 1.00 71.02 H new ATOM 0 HE ARG A 28 3.269 -12.688 66.161 1.00 31.13 H new ATOM 0 HH11 ARG A 28 5.079 -12.607 69.172 1.00 41.20 H new ATOM 0 HH12 ARG A 28 5.259 -14.362 69.260 1.00 41.20 H new ATOM 0 HH21 ARG A 28 3.508 -14.941 66.289 1.00 12.35 H new ATOM 0 HH22 ARG A 28 4.377 -15.672 67.642 1.00 12.35 H new ATOM 474 N ASN A 29 7.015 -8.054 65.268 1.00 24.15 N ATOM 475 CA ASN A 29 7.538 -6.803 65.804 1.00 60.44 C ATOM 476 C ASN A 29 7.314 -5.630 64.867 1.00 75.34 C ATOM 477 O ASN A 29 7.056 -4.514 65.315 1.00 70.51 O ATOM 478 CB ASN A 29 9.030 -6.928 66.106 1.00 73.24 C ATOM 479 CG ASN A 29 9.518 -5.663 66.807 1.00 64.23 C ATOM 480 OD1 ASN A 29 9.125 -5.404 68.022 1.00 23.13 O flip ATOM 481 ND2 ASN A 29 10.238 -4.863 66.210 1.00 22.23 N flip ATOM 0 H ASN A 29 7.710 -8.793 65.159 1.00 24.15 H new ATOM 0 HA ASN A 29 6.988 -6.608 66.724 1.00 60.44 H new ATOM 0 HB2 ASN A 29 9.212 -7.798 66.736 1.00 73.24 H new ATOM 0 HB3 ASN A 29 9.587 -7.082 65.182 1.00 73.24 H new ATOM 0 HD21 ASN A 29 10.546 -5.065 65.259 1.00 22.23 H new ATOM 0 HD22 ASN A 29 10.527 -3.998 66.666 1.00 22.23 H new ATOM 488 N GLY A 30 7.467 -5.863 63.566 1.00 62.31 N ATOM 489 CA GLY A 30 7.325 -4.760 62.626 1.00 31.33 C ATOM 490 C GLY A 30 5.970 -4.065 62.742 1.00 73.22 C ATOM 491 O GLY A 30 5.905 -2.836 62.709 1.00 3.32 O ATOM 0 H GLY A 30 7.681 -6.770 63.152 1.00 62.31 H new ATOM 0 HA2 GLY A 30 8.119 -4.034 62.800 1.00 31.33 H new ATOM 0 HA3 GLY A 30 7.453 -5.134 61.610 1.00 31.33 H new ATOM 495 N PHE A 31 4.892 -4.829 62.910 1.00 73.50 N ATOM 496 CA PHE A 31 3.582 -4.205 63.061 1.00 73.42 C ATOM 497 C PHE A 31 3.470 -3.355 64.322 1.00 41.15 C ATOM 498 O PHE A 31 2.863 -2.285 64.298 1.00 74.33 O ATOM 499 CB PHE A 31 2.450 -5.239 63.031 1.00 34.44 C ATOM 500 CG PHE A 31 2.320 -5.828 61.644 1.00 40.40 C ATOM 501 CD1 PHE A 31 1.594 -5.124 60.675 1.00 60.55 C ATOM 502 CD2 PHE A 31 2.912 -7.056 61.320 1.00 40.02 C ATOM 503 CE1 PHE A 31 1.456 -5.642 59.385 1.00 24.35 C ATOM 504 CE2 PHE A 31 2.772 -7.576 60.023 1.00 64.45 C ATOM 505 CZ PHE A 31 2.044 -6.866 59.057 1.00 32.21 C ATOM 0 H PHE A 31 4.897 -5.848 62.944 1.00 73.50 H new ATOM 0 HA PHE A 31 3.477 -3.541 62.203 1.00 73.42 H new ATOM 0 HB2 PHE A 31 2.651 -6.030 63.753 1.00 34.44 H new ATOM 0 HB3 PHE A 31 1.511 -4.770 63.325 1.00 34.44 H new ATOM 0 HD1 PHE A 31 1.139 -4.177 60.926 1.00 60.55 H new ATOM 0 HD2 PHE A 31 3.474 -7.600 62.065 1.00 40.02 H new ATOM 0 HE1 PHE A 31 0.895 -5.096 58.641 1.00 24.35 H new ATOM 0 HE2 PHE A 31 3.225 -8.523 59.769 1.00 64.45 H new ATOM 0 HZ PHE A 31 1.938 -7.266 58.059 1.00 32.21 H new ATOM 515 N ILE A 32 4.023 -3.839 65.437 1.00 5.31 N ATOM 516 CA ILE A 32 3.919 -3.094 66.687 1.00 13.12 C ATOM 517 C ILE A 32 4.559 -1.716 66.584 1.00 53.33 C ATOM 518 O ILE A 32 3.994 -0.729 67.050 1.00 22.52 O ATOM 519 CB ILE A 32 4.603 -3.876 67.818 1.00 3.21 C ATOM 520 CG1 ILE A 32 4.017 -5.296 67.954 1.00 51.24 C ATOM 521 CG2 ILE A 32 4.402 -3.132 69.138 1.00 2.52 C ATOM 522 CD1 ILE A 32 2.484 -5.264 67.959 1.00 12.55 C ATOM 0 H ILE A 32 4.534 -4.720 65.498 1.00 5.31 H new ATOM 0 HA ILE A 32 2.858 -2.964 66.900 1.00 13.12 H new ATOM 0 HB ILE A 32 5.663 -3.959 67.579 1.00 3.21 H new ATOM 0 HG12 ILE A 32 4.368 -5.918 67.130 1.00 51.24 H new ATOM 0 HG13 ILE A 32 4.377 -5.754 68.875 1.00 51.24 H new ATOM 0 HG21 ILE A 32 4.886 -3.684 69.944 1.00 2.52 H new ATOM 0 HG22 ILE A 32 4.840 -2.137 69.065 1.00 2.52 H new ATOM 0 HG23 ILE A 32 3.336 -3.044 69.348 1.00 2.52 H new ATOM 0 HD11 ILE A 32 2.099 -6.279 68.056 1.00 12.55 H new ATOM 0 HD12 ILE A 32 2.135 -4.662 68.798 1.00 12.55 H new ATOM 0 HD13 ILE A 32 2.126 -4.828 67.026 1.00 12.55 H new ATOM 534 N GLN A 33 5.744 -1.647 65.992 1.00 33.25 N ATOM 535 CA GLN A 33 6.424 -0.362 65.874 1.00 44.43 C ATOM 536 C GLN A 33 5.599 0.621 65.044 1.00 41.02 C ATOM 537 O GLN A 33 5.522 1.819 65.349 1.00 62.52 O ATOM 538 CB GLN A 33 7.787 -0.590 65.226 1.00 11.33 C ATOM 539 CG GLN A 33 8.626 -1.465 66.162 1.00 23.13 C ATOM 540 CD GLN A 33 9.986 -1.764 65.544 1.00 61.31 C ATOM 541 OE1 GLN A 33 10.891 -2.374 66.260 1.00 3.21 O flip ATOM 542 NE2 GLN A 33 10.212 -1.480 64.368 1.00 22.34 N flip ATOM 0 H GLN A 33 6.245 -2.442 65.595 1.00 33.25 H new ATOM 0 HA GLN A 33 6.550 0.071 66.866 1.00 44.43 H new ATOM 0 HB2 GLN A 33 7.670 -1.075 64.257 1.00 11.33 H new ATOM 0 HB3 GLN A 33 8.286 0.362 65.048 1.00 11.33 H new ATOM 0 HG2 GLN A 33 8.759 -0.960 67.119 1.00 23.13 H new ATOM 0 HG3 GLN A 33 8.100 -2.398 66.365 1.00 23.13 H new ATOM 0 HE21 GLN A 33 9.501 -1.003 63.813 1.00 22.34 H new ATOM 0 HE22 GLN A 33 11.110 -1.721 63.949 1.00 22.34 H new ATOM 551 N SER A 34 4.962 0.097 64.000 1.00 11.43 N ATOM 552 CA SER A 34 4.128 0.921 63.137 1.00 62.44 C ATOM 553 C SER A 34 2.988 1.550 63.920 1.00 44.14 C ATOM 554 O SER A 34 2.581 2.678 63.648 1.00 31.42 O ATOM 555 CB SER A 34 3.565 0.081 61.991 1.00 73.44 C ATOM 556 OG SER A 34 4.638 -0.544 61.298 1.00 55.11 O ATOM 0 H SER A 34 5.008 -0.887 63.734 1.00 11.43 H new ATOM 0 HA SER A 34 4.749 1.719 62.729 1.00 62.44 H new ATOM 0 HB2 SER A 34 2.879 -0.672 62.379 1.00 73.44 H new ATOM 0 HB3 SER A 34 2.994 0.711 61.309 1.00 73.44 H new ATOM 0 HG SER A 34 4.949 -1.321 61.808 1.00 55.11 H new ATOM 562 N LEU A 35 2.459 0.796 64.877 1.00 61.32 N ATOM 563 CA LEU A 35 1.342 1.283 65.670 1.00 34.02 C ATOM 564 C LEU A 35 1.702 2.583 66.375 1.00 42.43 C ATOM 565 O LEU A 35 0.885 3.500 66.452 1.00 22.40 O ATOM 566 CB LEU A 35 0.986 0.208 66.712 1.00 22.42 C ATOM 567 CG LEU A 35 -0.252 0.603 67.535 1.00 55.54 C ATOM 568 CD1 LEU A 35 -1.525 0.481 66.689 1.00 32.21 C ATOM 569 CD2 LEU A 35 -0.361 -0.332 68.745 1.00 41.21 C ATOM 0 H LEU A 35 2.781 -0.141 65.119 1.00 61.32 H new ATOM 0 HA LEU A 35 0.492 1.480 65.016 1.00 34.02 H new ATOM 0 HB2 LEU A 35 0.801 -0.740 66.208 1.00 22.42 H new ATOM 0 HB3 LEU A 35 1.833 0.054 67.380 1.00 22.42 H new ATOM 0 HG LEU A 35 -0.146 1.638 67.860 1.00 55.54 H new ATOM 0 HD11 LEU A 35 -2.389 0.765 67.289 1.00 32.21 H new ATOM 0 HD12 LEU A 35 -1.452 1.140 65.824 1.00 32.21 H new ATOM 0 HD13 LEU A 35 -1.640 -0.549 66.351 1.00 32.21 H new ATOM 0 HD21 LEU A 35 -1.236 -0.061 69.336 1.00 41.21 H new ATOM 0 HD22 LEU A 35 -0.460 -1.362 68.401 1.00 41.21 H new ATOM 0 HD23 LEU A 35 0.535 -0.239 69.359 1.00 41.21 H new ATOM 581 N LYS A 36 2.926 2.666 66.888 1.00 14.21 N ATOM 582 CA LYS A 36 3.348 3.877 67.573 1.00 33.34 C ATOM 583 C LYS A 36 3.320 5.096 66.657 1.00 11.12 C ATOM 584 O LYS A 36 2.964 6.194 67.086 1.00 20.33 O ATOM 585 CB LYS A 36 4.767 3.695 68.118 1.00 73.11 C ATOM 586 CG LYS A 36 4.776 2.597 69.183 1.00 31.42 C ATOM 587 CD LYS A 36 6.172 2.502 69.803 1.00 4.15 C ATOM 588 CE LYS A 36 6.217 1.325 70.779 1.00 25.42 C ATOM 589 NZ LYS A 36 5.143 1.483 71.799 1.00 71.12 N ATOM 0 H LYS A 36 3.627 1.926 66.843 1.00 14.21 H new ATOM 0 HA LYS A 36 2.645 4.051 68.387 1.00 33.34 H new ATOM 0 HB2 LYS A 36 5.447 3.434 67.307 1.00 73.11 H new ATOM 0 HB3 LYS A 36 5.125 4.632 68.545 1.00 73.11 H new ATOM 0 HG2 LYS A 36 4.038 2.817 69.954 1.00 31.42 H new ATOM 0 HG3 LYS A 36 4.498 1.642 68.738 1.00 31.42 H new ATOM 0 HD2 LYS A 36 6.920 2.369 69.022 1.00 4.15 H new ATOM 0 HD3 LYS A 36 6.415 3.429 70.323 1.00 4.15 H new ATOM 0 HE2 LYS A 36 6.086 0.387 70.240 1.00 25.42 H new ATOM 0 HE3 LYS A 36 7.191 1.280 71.266 1.00 25.42 H new ATOM 0 HZ1 LYS A 36 5.360 0.891 72.626 1.00 71.12 H new ATOM 0 HZ2 LYS A 36 5.086 2.479 72.092 1.00 71.12 H new ATOM 0 HZ3 LYS A 36 4.232 1.189 71.392 1.00 71.12 H new ATOM 603 N ASP A 37 3.732 4.910 65.401 1.00 24.34 N ATOM 604 CA ASP A 37 3.775 6.036 64.465 1.00 34.10 C ATOM 605 C ASP A 37 2.409 6.681 64.220 1.00 0.00 C ATOM 606 O ASP A 37 2.299 7.906 64.145 1.00 4.30 O ATOM 607 CB ASP A 37 4.343 5.556 63.128 1.00 73.02 C ATOM 608 CG ASP A 37 5.808 5.166 63.293 1.00 31.53 C ATOM 609 OD1 ASP A 37 6.376 5.493 64.322 1.00 40.14 O ATOM 610 OD2 ASP A 37 6.339 4.545 62.387 1.00 72.31 O ATOM 0 H ASP A 37 4.033 4.015 65.015 1.00 24.34 H new ATOM 0 HA ASP A 37 4.409 6.797 64.920 1.00 34.10 H new ATOM 0 HB2 ASP A 37 3.770 4.703 62.765 1.00 73.02 H new ATOM 0 HB3 ASP A 37 4.250 6.344 62.380 1.00 73.02 H new ATOM 615 N ASP A 38 1.370 5.855 64.090 1.00 14.53 N ATOM 616 CA ASP A 38 0.007 6.352 63.846 1.00 52.01 C ATOM 617 C ASP A 38 -1.014 5.635 64.727 1.00 55.12 C ATOM 618 O ASP A 38 -1.730 4.769 64.223 1.00 54.45 O ATOM 619 CB ASP A 38 -0.352 6.129 62.377 1.00 64.33 C ATOM 620 CG ASP A 38 0.717 6.742 61.480 1.00 75.33 C ATOM 621 OD1 ASP A 38 0.627 7.928 61.211 1.00 43.15 O ATOM 622 OD2 ASP A 38 1.610 6.016 61.075 1.00 43.12 O ATOM 0 H ASP A 38 1.442 4.839 64.149 1.00 14.53 H new ATOM 0 HA ASP A 38 -0.019 7.414 64.089 1.00 52.01 H new ATOM 0 HB2 ASP A 38 -0.441 5.062 62.174 1.00 64.33 H new ATOM 0 HB3 ASP A 38 -1.322 6.577 62.159 1.00 64.33 H new ATOM 627 N PRO A 39 -1.116 5.908 66.001 1.00 2.35 N ATOM 628 CA PRO A 39 -2.102 5.168 66.839 1.00 63.52 C ATOM 629 C PRO A 39 -3.547 5.305 66.326 1.00 2.21 C ATOM 630 O PRO A 39 -4.339 4.372 66.458 1.00 61.23 O ATOM 631 CB PRO A 39 -1.926 5.780 68.249 1.00 53.14 C ATOM 632 CG PRO A 39 -1.197 7.077 68.041 1.00 51.34 C ATOM 633 CD PRO A 39 -0.354 6.902 66.776 1.00 64.23 C ATOM 0 HA PRO A 39 -1.923 4.093 66.822 1.00 63.52 H new ATOM 0 HB2 PRO A 39 -2.891 5.946 68.727 1.00 53.14 H new ATOM 0 HB3 PRO A 39 -1.359 5.112 68.898 1.00 53.14 H new ATOM 0 HG2 PRO A 39 -1.899 7.903 67.928 1.00 51.34 H new ATOM 0 HG3 PRO A 39 -0.566 7.310 68.899 1.00 51.34 H new ATOM 0 HD2 PRO A 39 -0.245 7.840 66.232 1.00 64.23 H new ATOM 0 HD3 PRO A 39 0.651 6.549 67.007 1.00 64.23 H new ATOM 641 N SER A 40 -3.888 6.450 65.730 1.00 4.33 N ATOM 642 CA SER A 40 -5.244 6.639 65.200 1.00 13.21 C ATOM 643 C SER A 40 -5.546 5.675 64.046 1.00 51.10 C ATOM 644 O SER A 40 -6.690 5.275 63.834 1.00 32.13 O ATOM 645 CB SER A 40 -5.416 8.079 64.717 1.00 51.14 C ATOM 646 OG SER A 40 -4.600 8.293 63.572 1.00 23.14 O ATOM 0 H SER A 40 -3.262 7.245 65.603 1.00 4.33 H new ATOM 0 HA SER A 40 -5.945 6.428 66.008 1.00 13.21 H new ATOM 0 HB2 SER A 40 -6.461 8.270 64.473 1.00 51.14 H new ATOM 0 HB3 SER A 40 -5.141 8.775 65.509 1.00 51.14 H new ATOM 0 HG SER A 40 -4.710 9.215 63.260 1.00 23.14 H new ATOM 652 N GLN A 41 -4.498 5.322 63.303 1.00 64.11 N ATOM 653 CA GLN A 41 -4.601 4.416 62.151 1.00 21.21 C ATOM 654 C GLN A 41 -4.450 2.953 62.512 1.00 63.34 C ATOM 655 O GLN A 41 -4.242 2.120 61.632 1.00 64.12 O ATOM 656 CB GLN A 41 -3.614 4.793 61.054 1.00 4.21 C ATOM 657 CG GLN A 41 -3.972 6.178 60.529 1.00 53.11 C ATOM 658 CD GLN A 41 -2.997 6.601 59.443 1.00 73.40 C ATOM 659 OE1 GLN A 41 -1.855 6.140 59.412 1.00 23.22 O ATOM 660 NE2 GLN A 41 -3.415 7.396 58.502 1.00 31.31 N ATOM 0 H GLN A 41 -3.550 5.655 63.480 1.00 64.11 H new ATOM 0 HA GLN A 41 -5.617 4.542 61.776 1.00 21.21 H new ATOM 0 HB2 GLN A 41 -2.596 4.788 61.444 1.00 4.21 H new ATOM 0 HB3 GLN A 41 -3.650 4.062 60.246 1.00 4.21 H new ATOM 0 HG2 GLN A 41 -4.987 6.172 60.133 1.00 53.11 H new ATOM 0 HG3 GLN A 41 -3.952 6.900 61.346 1.00 53.11 H new ATOM 0 HE21 GLN A 41 -4.362 7.773 58.536 1.00 31.31 H new ATOM 0 HE22 GLN A 41 -2.796 7.642 57.730 1.00 31.31 H new ATOM 669 N SER A 42 -4.505 2.631 63.786 1.00 22.41 N ATOM 670 CA SER A 42 -4.314 1.248 64.179 1.00 32.10 C ATOM 671 C SER A 42 -5.330 0.357 63.492 1.00 23.14 C ATOM 672 O SER A 42 -5.031 -0.800 63.190 1.00 21.14 O ATOM 673 CB SER A 42 -4.503 1.134 65.686 1.00 2.01 C ATOM 674 OG SER A 42 -5.863 1.401 65.995 1.00 23.11 O ATOM 0 H SER A 42 -4.675 3.285 64.550 1.00 22.41 H new ATOM 0 HA SER A 42 -3.311 0.933 63.892 1.00 32.10 H new ATOM 0 HB2 SER A 42 -4.227 0.136 66.027 1.00 2.01 H new ATOM 0 HB3 SER A 42 -3.852 1.839 66.203 1.00 2.01 H new ATOM 0 HG SER A 42 -5.962 2.343 66.247 1.00 23.11 H new ATOM 680 N ALA A 43 -6.512 0.879 63.199 1.00 65.21 N ATOM 681 CA ALA A 43 -7.482 0.059 62.501 1.00 63.33 C ATOM 682 C ALA A 43 -6.957 -0.294 61.111 1.00 54.34 C ATOM 683 O ALA A 43 -7.070 -1.440 60.655 1.00 22.33 O ATOM 684 CB ALA A 43 -8.789 0.837 62.354 1.00 1.04 C ATOM 0 H ALA A 43 -6.812 1.828 63.424 1.00 65.21 H new ATOM 0 HA ALA A 43 -7.653 -0.855 63.070 1.00 63.33 H new ATOM 0 HB1 ALA A 43 -9.521 0.223 61.829 1.00 1.04 H new ATOM 0 HB2 ALA A 43 -9.172 1.094 63.341 1.00 1.04 H new ATOM 0 HB3 ALA A 43 -8.607 1.750 61.786 1.00 1.04 H new ATOM 690 N ASN A 44 -6.356 0.696 60.446 1.00 0.42 N ATOM 691 CA ASN A 44 -5.799 0.470 59.118 1.00 64.12 C ATOM 692 C ASN A 44 -4.717 -0.603 59.148 1.00 64.33 C ATOM 693 O ASN A 44 -4.609 -1.421 58.234 1.00 73.11 O ATOM 694 CB ASN A 44 -5.187 1.771 58.593 1.00 33.42 C ATOM 695 CG ASN A 44 -6.249 2.863 58.476 1.00 41.31 C ATOM 696 OD1 ASN A 44 -5.946 4.087 58.827 1.00 74.23 O flip ATOM 697 ND2 ASN A 44 -7.383 2.594 58.078 1.00 54.12 N flip ATOM 0 H ASN A 44 -6.245 1.646 60.801 1.00 0.42 H new ATOM 0 HA ASN A 44 -6.606 0.136 58.466 1.00 64.12 H new ATOM 0 HB2 ASN A 44 -4.393 2.101 59.263 1.00 33.42 H new ATOM 0 HB3 ASN A 44 -4.730 1.596 57.619 1.00 33.42 H new ATOM 0 HD21 ASN A 44 -7.615 1.639 57.806 1.00 54.12 H new ATOM 0 HD22 ASN A 44 -8.091 3.326 58.021 1.00 54.12 H new ATOM 704 N LEU A 45 -3.915 -0.584 60.213 1.00 41.32 N ATOM 705 CA LEU A 45 -2.836 -1.551 60.367 1.00 63.54 C ATOM 706 C LEU A 45 -3.370 -2.970 60.479 1.00 61.15 C ATOM 707 O LEU A 45 -2.741 -3.921 60.012 1.00 54.24 O ATOM 708 CB LEU A 45 -2.008 -1.229 61.618 1.00 51.25 C ATOM 709 CG LEU A 45 -1.428 0.195 61.549 1.00 25.51 C ATOM 710 CD1 LEU A 45 -0.514 0.417 62.759 1.00 1.03 C ATOM 711 CD2 LEU A 45 -0.616 0.387 60.254 1.00 11.44 C ATOM 0 H LEU A 45 -3.994 0.088 60.976 1.00 41.32 H new ATOM 0 HA LEU A 45 -2.209 -1.483 59.478 1.00 63.54 H new ATOM 0 HB2 LEU A 45 -2.632 -1.328 62.506 1.00 51.25 H new ATOM 0 HB3 LEU A 45 -1.197 -1.951 61.717 1.00 51.25 H new ATOM 0 HG LEU A 45 -2.247 0.914 61.556 1.00 25.51 H new ATOM 0 HD11 LEU A 45 -0.097 1.423 62.720 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -1.090 0.298 63.677 1.00 1.03 H new ATOM 0 HD13 LEU A 45 0.296 -0.312 62.742 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -0.214 1.400 60.223 1.00 11.44 H new ATOM 0 HD22 LEU A 45 0.205 -0.330 60.229 1.00 11.44 H new ATOM 0 HD23 LEU A 45 -1.263 0.227 59.392 1.00 11.44 H new ATOM 723 N LEU A 46 -4.511 -3.110 61.141 1.00 71.41 N ATOM 724 CA LEU A 46 -5.088 -4.427 61.350 1.00 61.10 C ATOM 725 C LEU A 46 -5.362 -5.119 60.023 1.00 31.50 C ATOM 726 O LEU A 46 -5.131 -6.320 59.880 1.00 54.02 O ATOM 727 CB LEU A 46 -6.407 -4.239 62.123 1.00 60.53 C ATOM 728 CG LEU A 46 -6.981 -5.597 62.625 1.00 44.45 C ATOM 729 CD1 LEU A 46 -7.884 -5.369 63.857 1.00 64.30 C ATOM 730 CD2 LEU A 46 -7.825 -6.289 61.530 1.00 0.20 C ATOM 0 H LEU A 46 -5.048 -2.338 61.537 1.00 71.41 H new ATOM 0 HA LEU A 46 -4.392 -5.052 61.910 1.00 61.10 H new ATOM 0 HB2 LEU A 46 -6.239 -3.579 62.974 1.00 60.53 H new ATOM 0 HB3 LEU A 46 -7.139 -3.750 61.480 1.00 60.53 H new ATOM 0 HG LEU A 46 -6.134 -6.233 62.884 1.00 44.45 H new ATOM 0 HD11 LEU A 46 -8.280 -6.325 64.200 1.00 64.30 H new ATOM 0 HD12 LEU A 46 -7.301 -4.910 64.656 1.00 64.30 H new ATOM 0 HD13 LEU A 46 -8.709 -4.710 63.586 1.00 64.30 H new ATOM 0 HD21 LEU A 46 -8.211 -7.234 61.911 1.00 0.20 H new ATOM 0 HD22 LEU A 46 -8.657 -5.643 61.250 1.00 0.20 H new ATOM 0 HD23 LEU A 46 -7.202 -6.478 60.656 1.00 0.20 H new ATOM 742 N ALA A 47 -5.849 -4.359 59.048 1.00 34.35 N ATOM 743 CA ALA A 47 -6.152 -4.938 57.743 1.00 53.05 C ATOM 744 C ALA A 47 -4.922 -5.429 56.971 1.00 12.35 C ATOM 745 O ALA A 47 -4.975 -6.473 56.321 1.00 23.24 O ATOM 746 CB ALA A 47 -6.891 -3.904 56.893 1.00 33.42 C ATOM 0 H ALA A 47 -6.040 -3.360 59.132 1.00 34.35 H new ATOM 0 HA ALA A 47 -6.767 -5.817 57.936 1.00 53.05 H new ATOM 0 HB1 ALA A 47 -7.120 -4.332 55.917 1.00 33.42 H new ATOM 0 HB2 ALA A 47 -7.818 -3.619 57.391 1.00 33.42 H new ATOM 0 HB3 ALA A 47 -6.263 -3.023 56.765 1.00 33.42 H new ATOM 752 N GLU A 48 -3.830 -4.662 57.000 1.00 4.11 N ATOM 753 CA GLU A 48 -2.636 -5.045 56.248 1.00 71.31 C ATOM 754 C GLU A 48 -1.985 -6.329 56.752 1.00 53.14 C ATOM 755 O GLU A 48 -1.459 -7.110 55.958 1.00 1.34 O ATOM 756 CB GLU A 48 -1.606 -3.908 56.314 1.00 1.10 C ATOM 757 CG GLU A 48 -2.134 -2.655 55.598 1.00 43.35 C ATOM 758 CD GLU A 48 -2.376 -2.930 54.115 1.00 0.13 C ATOM 759 OE1 GLU A 48 -1.833 -3.900 53.613 1.00 22.11 O ATOM 760 OE2 GLU A 48 -3.086 -2.152 53.498 1.00 1.25 O ATOM 0 H GLU A 48 -3.748 -3.791 57.524 1.00 4.11 H new ATOM 0 HA GLU A 48 -2.960 -5.230 55.224 1.00 71.31 H new ATOM 0 HB2 GLU A 48 -1.384 -3.672 57.355 1.00 1.10 H new ATOM 0 HB3 GLU A 48 -0.672 -4.230 55.854 1.00 1.10 H new ATOM 0 HG2 GLU A 48 -3.062 -2.329 56.067 1.00 43.35 H new ATOM 0 HG3 GLU A 48 -1.418 -1.841 55.708 1.00 43.35 H new ATOM 767 N ALA A 49 -1.987 -6.545 58.066 1.00 33.23 N ATOM 768 CA ALA A 49 -1.348 -7.743 58.599 1.00 2.00 C ATOM 769 C ALA A 49 -2.064 -9.010 58.157 1.00 71.01 C ATOM 770 O ALA A 49 -1.430 -10.005 57.800 1.00 35.52 O ATOM 771 CB ALA A 49 -1.319 -7.674 60.127 1.00 23.43 C ATOM 0 H ALA A 49 -2.409 -5.928 58.760 1.00 33.23 H new ATOM 0 HA ALA A 49 -0.331 -7.781 58.207 1.00 2.00 H new ATOM 0 HB1 ALA A 49 -0.841 -8.570 60.523 1.00 23.43 H new ATOM 0 HB2 ALA A 49 -0.757 -6.794 60.441 1.00 23.43 H new ATOM 0 HB3 ALA A 49 -2.338 -7.608 60.508 1.00 23.43 H new ATOM 777 N LYS A 50 -3.388 -8.963 58.179 1.00 4.25 N ATOM 778 CA LYS A 50 -4.183 -10.109 57.774 1.00 23.31 C ATOM 779 C LYS A 50 -3.909 -10.495 56.327 1.00 72.12 C ATOM 780 O LYS A 50 -3.875 -11.675 55.979 1.00 75.31 O ATOM 781 CB LYS A 50 -5.668 -9.781 57.954 1.00 25.20 C ATOM 782 CG LYS A 50 -6.522 -11.020 57.672 1.00 15.54 C ATOM 783 CD LYS A 50 -8.002 -10.649 57.799 1.00 73.13 C ATOM 784 CE LYS A 50 -8.870 -11.905 57.676 1.00 33.33 C ATOM 785 NZ LYS A 50 -10.234 -11.614 58.201 1.00 30.21 N ATOM 0 H LYS A 50 -3.930 -8.149 58.471 1.00 4.25 H new ATOM 0 HA LYS A 50 -3.909 -10.957 58.401 1.00 23.31 H new ATOM 0 HB2 LYS A 50 -5.849 -9.429 58.969 1.00 25.20 H new ATOM 0 HB3 LYS A 50 -5.953 -8.973 57.281 1.00 25.20 H new ATOM 0 HG2 LYS A 50 -6.314 -11.400 56.672 1.00 15.54 H new ATOM 0 HG3 LYS A 50 -6.273 -11.816 58.374 1.00 15.54 H new ATOM 0 HD2 LYS A 50 -8.183 -10.165 58.759 1.00 73.13 H new ATOM 0 HD3 LYS A 50 -8.273 -9.932 57.024 1.00 73.13 H new ATOM 0 HE2 LYS A 50 -8.928 -12.220 56.634 1.00 33.33 H new ATOM 0 HE3 LYS A 50 -8.421 -12.727 58.233 1.00 33.33 H new ATOM 0 HZ1 LYS A 50 -10.826 -12.465 58.119 1.00 30.21 H new ATOM 0 HZ2 LYS A 50 -10.169 -11.332 59.200 1.00 30.21 H new ATOM 0 HZ3 LYS A 50 -10.660 -10.841 57.651 1.00 30.21 H new ATOM 799 N LYS A 51 -3.768 -9.480 55.479 1.00 23.43 N ATOM 800 CA LYS A 51 -3.560 -9.708 54.055 1.00 54.50 C ATOM 801 C LYS A 51 -2.300 -10.517 53.737 1.00 75.32 C ATOM 802 O LYS A 51 -2.345 -11.421 52.902 1.00 61.01 O ATOM 803 CB LYS A 51 -3.477 -8.338 53.378 1.00 24.15 C ATOM 804 CG LYS A 51 -3.397 -8.479 51.858 1.00 5.50 C ATOM 805 CD LYS A 51 -3.257 -7.083 51.247 1.00 53.11 C ATOM 806 CE LYS A 51 -3.326 -7.173 49.723 1.00 31.35 C ATOM 807 NZ LYS A 51 -3.592 -5.820 49.158 1.00 54.42 N ATOM 0 H LYS A 51 -3.794 -8.498 55.752 1.00 23.43 H new ATOM 0 HA LYS A 51 -4.395 -10.302 53.683 1.00 54.50 H new ATOM 0 HB2 LYS A 51 -4.350 -7.743 53.646 1.00 24.15 H new ATOM 0 HB3 LYS A 51 -2.602 -7.801 53.743 1.00 24.15 H new ATOM 0 HG2 LYS A 51 -2.546 -9.101 51.580 1.00 5.50 H new ATOM 0 HG3 LYS A 51 -4.291 -8.972 51.476 1.00 5.50 H new ATOM 0 HD2 LYS A 51 -4.050 -6.433 51.618 1.00 53.11 H new ATOM 0 HD3 LYS A 51 -2.310 -6.637 51.551 1.00 53.11 H new ATOM 0 HE2 LYS A 51 -2.389 -7.566 49.328 1.00 31.35 H new ATOM 0 HE3 LYS A 51 -4.113 -7.865 49.424 1.00 31.35 H new ATOM 0 HZ1 LYS A 51 -3.639 -5.880 48.121 1.00 54.42 H new ATOM 0 HZ2 LYS A 51 -4.497 -5.462 49.526 1.00 54.42 H new ATOM 0 HZ3 LYS A 51 -2.826 -5.172 49.433 1.00 54.42 H new ATOM 821 N LEU A 52 -1.180 -10.214 54.393 1.00 14.24 N ATOM 822 CA LEU A 52 0.045 -10.966 54.125 1.00 55.12 C ATOM 823 C LEU A 52 -0.131 -12.432 54.507 1.00 73.34 C ATOM 824 O LEU A 52 0.380 -13.337 53.844 1.00 73.02 O ATOM 825 CB LEU A 52 1.240 -10.357 54.877 1.00 71.21 C ATOM 826 CG LEU A 52 2.548 -11.076 54.476 1.00 72.12 C ATOM 827 CD1 LEU A 52 2.943 -10.703 53.032 1.00 53.43 C ATOM 828 CD2 LEU A 52 3.669 -10.653 55.438 1.00 45.20 C ATOM 0 H LEU A 52 -1.095 -9.477 55.093 1.00 14.24 H new ATOM 0 HA LEU A 52 0.249 -10.907 53.056 1.00 55.12 H new ATOM 0 HB2 LEU A 52 1.317 -9.294 54.651 1.00 71.21 H new ATOM 0 HB3 LEU A 52 1.084 -10.444 55.952 1.00 71.21 H new ATOM 0 HG LEU A 52 2.395 -12.154 54.531 1.00 72.12 H new ATOM 0 HD11 LEU A 52 3.866 -11.217 52.763 1.00 53.43 H new ATOM 0 HD12 LEU A 52 2.149 -11.003 52.349 1.00 53.43 H new ATOM 0 HD13 LEU A 52 3.094 -9.626 52.963 1.00 53.43 H new ATOM 0 HD21 LEU A 52 4.595 -11.157 55.161 1.00 45.20 H new ATOM 0 HD22 LEU A 52 3.811 -9.574 55.379 1.00 45.20 H new ATOM 0 HD23 LEU A 52 3.397 -10.928 56.457 1.00 45.20 H new ATOM 840 N ASN A 53 -0.836 -12.643 55.615 1.00 30.55 N ATOM 841 CA ASN A 53 -1.056 -13.986 56.134 1.00 12.22 C ATOM 842 C ASN A 53 -1.715 -14.905 55.115 1.00 20.35 C ATOM 843 O ASN A 53 -1.385 -16.088 55.036 1.00 22.15 O ATOM 844 CB ASN A 53 -1.950 -13.899 57.374 1.00 4.55 C ATOM 845 CG ASN A 53 -2.057 -15.262 58.048 1.00 21.40 C ATOM 846 OD1 ASN A 53 -1.059 -15.708 58.757 1.00 11.02 O flip ATOM 847 ND2 ASN A 53 -3.082 -15.934 57.932 1.00 12.51 N flip ATOM 0 H ASN A 53 -1.264 -11.901 56.169 1.00 30.55 H new ATOM 0 HA ASN A 53 -0.081 -14.408 56.377 1.00 12.22 H new ATOM 0 HB2 ASN A 53 -1.541 -13.171 58.075 1.00 4.55 H new ATOM 0 HB3 ASN A 53 -2.942 -13.547 57.091 1.00 4.55 H new ATOM 0 HD21 ASN A 53 -3.862 -15.583 57.376 1.00 12.51 H new ATOM 0 HD22 ASN A 53 -3.151 -16.842 58.391 1.00 12.51 H new ATOM 854 N ASP A 54 -2.667 -14.375 54.357 1.00 50.01 N ATOM 855 CA ASP A 54 -3.368 -15.198 53.385 1.00 62.34 C ATOM 856 C ASP A 54 -2.429 -15.832 52.359 1.00 11.11 C ATOM 857 O ASP A 54 -2.626 -16.984 51.973 1.00 73.25 O ATOM 858 CB ASP A 54 -4.412 -14.352 52.653 1.00 11.40 C ATOM 859 CG ASP A 54 -5.302 -15.248 51.799 1.00 5.23 C ATOM 860 OD1 ASP A 54 -5.153 -16.455 51.887 1.00 44.54 O ATOM 861 OD2 ASP A 54 -6.121 -14.713 51.070 1.00 12.01 O ATOM 0 H ASP A 54 -2.965 -13.400 54.395 1.00 50.01 H new ATOM 0 HA ASP A 54 -3.844 -16.008 53.938 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -5.018 -13.804 53.374 1.00 11.40 H new ATOM 0 HB3 ASP A 54 -3.917 -13.612 52.025 1.00 11.40 H new ATOM 866 N ALA A 55 -1.422 -15.087 51.899 1.00 63.33 N ATOM 867 CA ALA A 55 -0.512 -15.645 50.901 1.00 75.40 C ATOM 868 C ALA A 55 0.313 -16.801 51.455 1.00 54.24 C ATOM 869 O ALA A 55 0.466 -17.834 50.803 1.00 42.04 O ATOM 870 CB ALA A 55 0.434 -14.553 50.399 1.00 14.55 C ATOM 0 H ALA A 55 -1.221 -14.130 52.189 1.00 63.33 H new ATOM 0 HA ALA A 55 -1.123 -16.029 50.084 1.00 75.40 H new ATOM 0 HB1 ALA A 55 1.111 -14.972 49.655 1.00 14.55 H new ATOM 0 HB2 ALA A 55 -0.146 -13.748 49.949 1.00 14.55 H new ATOM 0 HB3 ALA A 55 1.012 -14.160 51.235 1.00 14.55 H new ATOM 876 N GLN A 56 0.832 -16.630 52.668 1.00 13.12 N ATOM 877 CA GLN A 56 1.626 -17.680 53.294 1.00 70.45 C ATOM 878 C GLN A 56 0.810 -18.945 53.519 1.00 74.21 C ATOM 879 O GLN A 56 1.325 -20.060 53.429 1.00 61.33 O ATOM 880 CB GLN A 56 2.230 -17.188 54.606 1.00 75.40 C ATOM 881 CG GLN A 56 3.217 -16.060 54.300 1.00 42.42 C ATOM 882 CD GLN A 56 3.814 -15.512 55.591 1.00 1.22 C ATOM 883 OE1 GLN A 56 3.287 -15.759 56.674 1.00 75.44 O ATOM 884 NE2 GLN A 56 4.894 -14.782 55.539 1.00 25.51 N ATOM 0 H GLN A 56 0.719 -15.786 53.230 1.00 13.12 H new ATOM 0 HA GLN A 56 2.437 -17.930 52.610 1.00 70.45 H new ATOM 0 HB2 GLN A 56 1.445 -16.832 55.273 1.00 75.40 H new ATOM 0 HB3 GLN A 56 2.738 -18.005 55.118 1.00 75.40 H new ATOM 0 HG2 GLN A 56 4.012 -16.429 53.652 1.00 42.42 H new ATOM 0 HG3 GLN A 56 2.710 -15.261 53.759 1.00 42.42 H new ATOM 0 HE21 GLN A 56 5.329 -14.579 54.639 1.00 25.51 H new ATOM 0 HE22 GLN A 56 5.303 -14.415 56.398 1.00 25.51 H new ATOM 893 N ALA A 57 -0.466 -18.756 53.839 1.00 41.45 N ATOM 894 CA ALA A 57 -1.359 -19.875 54.109 1.00 3.34 C ATOM 895 C ALA A 57 -1.612 -20.688 52.838 1.00 45.42 C ATOM 896 O ALA A 57 -1.642 -20.126 51.743 1.00 70.24 O ATOM 897 CB ALA A 57 -2.688 -19.343 54.654 1.00 15.43 C ATOM 0 H ALA A 57 -0.904 -17.838 53.917 1.00 41.45 H new ATOM 0 HA ALA A 57 -0.890 -20.527 54.846 1.00 3.34 H new ATOM 0 HB1 ALA A 57 -3.358 -20.178 54.857 1.00 15.43 H new ATOM 0 HB2 ALA A 57 -2.508 -18.790 55.576 1.00 15.43 H new ATOM 0 HB3 ALA A 57 -3.145 -18.682 53.918 1.00 15.43 H new ATOM 903 N PRO A 58 -1.806 -21.987 52.942 1.00 72.22 N ATOM 904 CA PRO A 58 -2.071 -22.836 51.745 1.00 5.45 C ATOM 905 C PRO A 58 -3.307 -22.342 50.996 1.00 32.31 C ATOM 906 O PRO A 58 -3.473 -22.605 49.805 1.00 74.14 O ATOM 907 CB PRO A 58 -2.268 -24.259 52.318 1.00 52.14 C ATOM 908 CG PRO A 58 -2.551 -24.061 53.776 1.00 51.21 C ATOM 909 CD PRO A 58 -1.810 -22.788 54.182 1.00 1.22 C ATOM 0 HA PRO A 58 -1.261 -22.807 51.016 1.00 5.45 H new ATOM 0 HB2 PRO A 58 -3.093 -24.772 51.823 1.00 52.14 H new ATOM 0 HB3 PRO A 58 -1.378 -24.870 52.169 1.00 52.14 H new ATOM 0 HG2 PRO A 58 -3.622 -23.963 53.955 1.00 51.21 H new ATOM 0 HG3 PRO A 58 -2.207 -24.915 54.359 1.00 51.21 H new ATOM 0 HD2 PRO A 58 -2.318 -22.269 54.995 1.00 1.22 H new ATOM 0 HD3 PRO A 58 -0.798 -23.004 54.525 1.00 1.22 H new ATOM 917 N LYS A 59 -4.173 -21.622 51.714 1.00 51.24 N ATOM 918 CA LYS A 59 -5.404 -21.081 51.128 1.00 3.44 C ATOM 919 C LYS A 59 -5.292 -19.571 50.942 1.00 22.42 C ATOM 920 O LYS A 59 -6.324 -18.925 50.870 1.00 61.53 O ATOM 921 CB LYS A 59 -6.598 -21.417 52.035 1.00 35.24 C ATOM 922 CG LYS A 59 -6.504 -20.634 53.350 1.00 25.14 C ATOM 923 CD LYS A 59 -7.629 -21.083 54.287 1.00 31.13 C ATOM 924 CE LYS A 59 -7.739 -20.106 55.460 1.00 53.14 C ATOM 925 NZ LYS A 59 -6.501 -20.181 56.286 1.00 14.35 N ATOM 926 OXT LYS A 59 -4.176 -19.084 50.874 1.00 61.53 O ATOM 0 H LYS A 59 -4.045 -21.400 52.701 1.00 51.24 H new ATOM 0 HA LYS A 59 -5.557 -21.535 50.149 1.00 3.44 H new ATOM 0 HB2 LYS A 59 -7.530 -21.174 51.525 1.00 35.24 H new ATOM 0 HB3 LYS A 59 -6.617 -22.487 52.242 1.00 35.24 H new ATOM 0 HG2 LYS A 59 -5.535 -20.803 53.819 1.00 25.14 H new ATOM 0 HG3 LYS A 59 -6.582 -19.564 53.156 1.00 25.14 H new ATOM 0 HD2 LYS A 59 -8.574 -21.124 53.745 1.00 31.13 H new ATOM 0 HD3 LYS A 59 -7.429 -22.089 54.656 1.00 31.13 H new ATOM 0 HE2 LYS A 59 -7.881 -19.091 55.090 1.00 53.14 H new ATOM 0 HE3 LYS A 59 -8.610 -20.348 56.068 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 -6.628 -19.622 57.154 1.00 14.35 H new ATOM 0 HZ2 LYS A 59 -6.311 -21.172 56.537 1.00 14.35 H new ATOM 0 HZ3 LYS A 59 -5.699 -19.801 55.744 1.00 14.35 H new TER 940 LYS A 59