USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 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 5 GLN : amide:sc= -3.59! C(o=-6.6!,f=-8.8!) USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -3 F(o=-12!,f=-6.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 9 SER OG : rot 180:sc= -0.706 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -2.81 F(o=-4.9!,f=-2.8) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0518 K(o=-0.052,f=-1.9!) USER MOD Single : B 24 ASN : amide:sc= 0.207 K(o=0.21,f=-1.9!) USER MOD Single : B 25 GLN : amide:sc= -7.48! C(o=-7.5!,f=-7.6!) USER MOD Single : B 26 HIS : no HD1:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot 180:sc= -0.738 USER MOD Single : B 47 TYR OH : rot 180:sc= -1.11 USER MOD Single : B 48 THR OG1 : rot 180:sc= -0.0153! USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 28:sc= 0.894 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.443 4.403 2.210 1.00 0.00 N ATOM 2 CA GLY A 1 -8.681 3.528 1.213 1.00 0.00 C ATOM 3 C GLY A 1 -7.237 3.786 0.952 1.00 0.00 C ATOM 4 O GLY A 1 -6.691 4.787 1.369 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.431 4.084 2.267 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.000 4.328 3.148 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.417 5.393 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.770 2.496 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.201 3.596 0.257 1.00 0.00 H new ATOM 10 N ILE A 2 -6.581 2.895 0.259 1.00 0.00 N ATOM 11 CA ILE A 2 -5.135 3.100 -0.034 1.00 0.00 C ATOM 12 C ILE A 2 -4.980 4.181 -1.103 1.00 0.00 C ATOM 13 O ILE A 2 -4.074 4.985 -1.060 1.00 0.00 O ATOM 14 CB ILE A 2 -4.526 1.787 -0.535 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.018 1.976 -0.759 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.188 1.382 -1.853 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.314 0.621 -0.983 1.00 0.00 C ATOM 0 H ILE A 2 -6.983 2.036 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.619 3.414 0.873 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.691 1.006 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.854 2.621 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.580 2.479 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.753 0.448 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.258 1.247 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.026 2.162 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.248 0.786 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.459 -0.013 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.737 0.132 -1.860 1.00 0.00 H new ATOM 29 N VAL A 3 -5.861 4.204 -2.060 1.00 0.00 N ATOM 30 CA VAL A 3 -5.780 5.227 -3.134 1.00 0.00 C ATOM 31 C VAL A 3 -5.687 6.616 -2.518 1.00 0.00 C ATOM 32 O VAL A 3 -4.985 7.480 -3.003 1.00 0.00 O ATOM 33 CB VAL A 3 -7.050 5.144 -3.974 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.859 5.946 -5.251 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.336 3.684 -4.320 1.00 0.00 C ATOM 0 H VAL A 3 -6.641 3.552 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.899 5.046 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.890 5.551 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.765 5.890 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.655 6.987 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.021 5.538 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.244 3.623 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.499 3.273 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.470 3.112 -3.402 1.00 0.00 H new ATOM 45 N GLU A 4 -6.407 6.840 -1.465 1.00 0.00 N ATOM 46 CA GLU A 4 -6.383 8.182 -0.824 1.00 0.00 C ATOM 47 C GLU A 4 -5.080 8.370 -0.040 1.00 0.00 C ATOM 48 O GLU A 4 -4.616 9.473 0.148 1.00 0.00 O ATOM 49 CB GLU A 4 -7.583 8.311 0.121 1.00 0.00 C ATOM 50 CG GLU A 4 -8.809 7.656 -0.523 1.00 0.00 C ATOM 51 CD GLU A 4 -10.076 8.111 0.205 1.00 0.00 C ATOM 52 OE1 GLU A 4 -10.355 9.298 0.181 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.745 7.264 0.774 1.00 0.00 O ATOM 0 H GLU A 4 -7.014 6.154 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.440 8.951 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.361 7.834 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.785 9.362 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.866 7.926 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.721 6.571 -0.476 1.00 0.00 H new ATOM 60 N GLN A 5 -4.492 7.309 0.433 1.00 0.00 N ATOM 61 CA GLN A 5 -3.225 7.442 1.215 1.00 0.00 C ATOM 62 C GLN A 5 -2.008 7.330 0.292 1.00 0.00 C ATOM 63 O GLN A 5 -0.953 7.866 0.571 1.00 0.00 O ATOM 64 CB GLN A 5 -3.165 6.326 2.258 1.00 0.00 C ATOM 65 CG GLN A 5 -1.854 6.431 3.042 1.00 0.00 C ATOM 66 CD GLN A 5 -1.968 5.644 4.350 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.066 5.660 5.163 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.048 4.953 4.586 1.00 0.00 N ATOM 0 H GLN A 5 -4.831 6.354 0.314 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.210 8.418 1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.014 6.402 2.937 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.233 5.354 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.030 6.043 2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.629 7.476 3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.805 4.940 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.136 4.425 5.454 1.00 0.00 H new ATOM 77 N CYS A 6 -2.136 6.611 -0.787 1.00 0.00 N ATOM 78 CA CYS A 6 -0.988 6.420 -1.719 1.00 0.00 C ATOM 79 C CYS A 6 -1.001 7.472 -2.840 1.00 0.00 C ATOM 80 O CYS A 6 0.035 7.819 -3.373 1.00 0.00 O ATOM 81 CB CYS A 6 -1.107 5.024 -2.337 1.00 0.00 C ATOM 82 SG CYS A 6 -0.461 3.769 -1.201 1.00 0.00 S ATOM 0 H CYS A 6 -2.997 6.141 -1.067 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.055 6.528 -1.166 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.150 4.810 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.558 4.988 -3.278 1.00 0.00 H new ATOM 87 N CYS A 7 -2.150 7.967 -3.220 1.00 0.00 N ATOM 88 CA CYS A 7 -2.202 8.981 -4.326 1.00 0.00 C ATOM 89 C CYS A 7 -2.244 10.391 -3.740 1.00 0.00 C ATOM 90 O CYS A 7 -1.315 11.159 -3.889 1.00 0.00 O ATOM 91 CB CYS A 7 -3.450 8.731 -5.181 1.00 0.00 C ATOM 92 SG CYS A 7 -3.346 9.661 -6.741 1.00 0.00 S ATOM 0 H CYS A 7 -3.053 7.717 -2.817 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.311 8.888 -4.947 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.547 7.666 -5.391 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.342 9.030 -4.630 1.00 0.00 H new ATOM 97 N THR A 8 -3.301 10.738 -3.065 1.00 0.00 N ATOM 98 CA THR A 8 -3.378 12.090 -2.467 1.00 0.00 C ATOM 99 C THR A 8 -2.174 12.276 -1.562 1.00 0.00 C ATOM 100 O THR A 8 -1.878 13.360 -1.099 1.00 0.00 O ATOM 101 CB THR A 8 -4.643 12.187 -1.622 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.749 11.682 -2.358 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.890 13.638 -1.254 1.00 0.00 C ATOM 0 H THR A 8 -4.113 10.142 -2.903 1.00 0.00 H new ATOM 0 HA THR A 8 -3.394 12.850 -3.248 1.00 0.00 H new ATOM 0 HB THR A 8 -4.521 11.598 -0.713 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.561 11.744 -1.812 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.794 13.711 -0.650 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.042 14.019 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.012 14.228 -2.162 1.00 0.00 H new ATOM 111 N SER A 9 -1.498 11.205 -1.286 1.00 0.00 N ATOM 112 CA SER A 9 -0.330 11.268 -0.383 1.00 0.00 C ATOM 113 C SER A 9 0.610 10.104 -0.711 1.00 0.00 C ATOM 114 O SER A 9 0.344 9.323 -1.598 1.00 0.00 O ATOM 115 CB SER A 9 -0.853 11.147 1.045 1.00 0.00 C ATOM 116 OG SER A 9 -2.095 11.832 1.143 1.00 0.00 O ATOM 0 H SER A 9 -1.709 10.277 -1.653 1.00 0.00 H new ATOM 0 HA SER A 9 0.220 12.202 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.980 10.098 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.134 11.570 1.746 1.00 0.00 H new ATOM 0 HG SER A 9 -2.438 11.757 2.058 1.00 0.00 H new ATOM 122 N ILE A 10 1.704 9.978 -0.004 1.00 0.00 N ATOM 123 CA ILE A 10 2.660 8.857 -0.275 1.00 0.00 C ATOM 124 C ILE A 10 2.533 7.811 0.835 1.00 0.00 C ATOM 125 O ILE A 10 2.408 8.144 1.997 1.00 0.00 O ATOM 126 CB ILE A 10 4.083 9.413 -0.298 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.157 10.583 -1.279 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.064 8.326 -0.741 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.558 11.213 -1.259 1.00 0.00 C ATOM 0 H ILE A 10 1.979 10.605 0.752 1.00 0.00 H new ATOM 0 HA ILE A 10 2.433 8.395 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 10 4.347 9.751 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.922 10.237 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.411 11.333 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.075 8.732 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.018 7.489 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.798 7.981 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.593 12.044 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.779 11.578 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.298 10.465 -1.544 1.00 0.00 H new ATOM 141 N CYS A 11 2.558 6.546 0.485 1.00 0.00 N ATOM 142 CA CYS A 11 2.433 5.465 1.518 1.00 0.00 C ATOM 143 C CYS A 11 3.801 4.825 1.771 1.00 0.00 C ATOM 144 O CYS A 11 4.684 4.859 0.937 1.00 0.00 O ATOM 145 CB CYS A 11 1.449 4.385 1.021 1.00 0.00 C ATOM 146 SG CYS A 11 1.428 4.350 -0.785 1.00 0.00 S ATOM 0 H CYS A 11 2.660 6.214 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 11 2.061 5.901 2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.742 3.409 1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.448 4.591 1.400 1.00 0.00 H new ATOM 151 N SER A 12 3.967 4.222 2.920 1.00 0.00 N ATOM 152 CA SER A 12 5.257 3.550 3.248 1.00 0.00 C ATOM 153 C SER A 12 5.105 2.052 2.989 1.00 0.00 C ATOM 154 O SER A 12 4.036 1.494 3.139 1.00 0.00 O ATOM 155 CB SER A 12 5.593 3.778 4.721 1.00 0.00 C ATOM 156 OG SER A 12 5.993 5.129 4.908 1.00 0.00 O ATOM 0 H SER A 12 3.257 4.167 3.650 1.00 0.00 H new ATOM 0 HA SER A 12 6.057 3.959 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.726 3.554 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.391 3.104 5.032 1.00 0.00 H new ATOM 0 HG SER A 12 6.208 5.279 5.852 1.00 0.00 H new ATOM 162 N LEU A 13 6.162 1.401 2.592 1.00 0.00 N ATOM 163 CA LEU A 13 6.092 -0.057 2.311 1.00 0.00 C ATOM 164 C LEU A 13 5.293 -0.768 3.411 1.00 0.00 C ATOM 165 O LEU A 13 4.612 -1.737 3.162 1.00 0.00 O ATOM 166 CB LEU A 13 7.532 -0.605 2.263 1.00 0.00 C ATOM 167 CG LEU A 13 7.671 -1.709 1.203 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.433 -1.137 -0.211 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.083 -2.299 1.300 1.00 0.00 C ATOM 0 H LEU A 13 7.080 1.822 2.449 1.00 0.00 H new ATOM 0 HA LEU A 13 5.591 -0.233 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.225 0.206 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.807 -1.000 3.241 1.00 0.00 H new ATOM 0 HG LEU A 13 6.926 -2.484 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.536 -1.934 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.429 -0.716 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.166 -0.357 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.201 -3.085 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.818 -1.515 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.235 -2.717 2.295 1.00 0.00 H new ATOM 181 N TYR A 14 5.367 -0.300 4.622 1.00 0.00 N ATOM 182 CA TYR A 14 4.601 -0.980 5.705 1.00 0.00 C ATOM 183 C TYR A 14 3.104 -0.830 5.418 1.00 0.00 C ATOM 184 O TYR A 14 2.316 -1.712 5.694 1.00 0.00 O ATOM 185 CB TYR A 14 4.988 -0.369 7.076 1.00 0.00 C ATOM 186 CG TYR A 14 3.844 0.424 7.679 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.899 1.814 7.711 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.740 -0.244 8.210 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.851 2.548 8.279 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.687 0.483 8.776 1.00 0.00 C ATOM 191 CZ TYR A 14 1.743 1.881 8.814 1.00 0.00 C ATOM 192 OH TYR A 14 0.708 2.600 9.375 1.00 0.00 O ATOM 0 H TYR A 14 5.915 0.511 4.909 1.00 0.00 H new ATOM 0 HA TYR A 14 4.841 -2.043 5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.279 -1.166 7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.856 0.279 6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.753 2.328 7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.698 -1.323 8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.897 3.627 8.304 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.831 -0.035 9.184 1.00 0.00 H new ATOM 0 HH TYR A 14 0.018 1.983 9.698 1.00 0.00 H new ATOM 202 N GLN A 15 2.711 0.280 4.861 1.00 0.00 N ATOM 203 CA GLN A 15 1.277 0.481 4.554 1.00 0.00 C ATOM 204 C GLN A 15 0.949 -0.289 3.279 1.00 0.00 C ATOM 205 O GLN A 15 -0.146 -0.772 3.094 1.00 0.00 O ATOM 206 CB GLN A 15 0.997 1.967 4.329 1.00 0.00 C ATOM 207 CG GLN A 15 1.576 2.788 5.478 1.00 0.00 C ATOM 208 CD GLN A 15 1.405 4.272 5.163 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.814 4.617 4.055 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 1.812 5.122 5.930 1.00 0.00 N flip ATOM 0 H GLN A 15 3.324 1.054 4.607 1.00 0.00 H new ATOM 0 HA GLN A 15 0.666 0.126 5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.435 2.289 3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.077 2.136 4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.069 2.540 6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.631 2.551 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.274 4.848 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.691 6.110 5.707 1.00 0.00 H new ATOM 219 N LEU A 16 1.902 -0.398 2.395 1.00 0.00 N ATOM 220 CA LEU A 16 1.676 -1.128 1.125 1.00 0.00 C ATOM 221 C LEU A 16 1.651 -2.631 1.409 1.00 0.00 C ATOM 222 O LEU A 16 0.746 -3.336 1.010 1.00 0.00 O ATOM 223 CB LEU A 16 2.830 -0.780 0.166 1.00 0.00 C ATOM 224 CG LEU A 16 2.367 -0.791 -1.300 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.232 0.228 -1.517 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.560 -0.460 -2.222 1.00 0.00 C ATOM 0 H LEU A 16 2.837 -0.006 2.504 1.00 0.00 H new ATOM 0 HA LEU A 16 0.725 -0.844 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.228 0.204 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.642 -1.495 0.298 1.00 0.00 H new ATOM 0 HG LEU A 16 1.988 -1.784 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.918 0.206 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.387 -0.027 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.588 1.227 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.230 -0.468 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.950 0.527 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.344 -1.205 -2.084 1.00 0.00 H new ATOM 238 N GLU A 17 2.636 -3.122 2.107 1.00 0.00 N ATOM 239 CA GLU A 17 2.660 -4.576 2.428 1.00 0.00 C ATOM 240 C GLU A 17 1.416 -4.900 3.245 1.00 0.00 C ATOM 241 O GLU A 17 0.938 -6.016 3.278 1.00 0.00 O ATOM 242 CB GLU A 17 3.902 -4.897 3.269 1.00 0.00 C ATOM 243 CG GLU A 17 5.173 -4.530 2.492 1.00 0.00 C ATOM 244 CD GLU A 17 6.328 -4.283 3.469 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.115 -3.577 4.441 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.404 -4.804 3.227 1.00 0.00 O ATOM 0 H GLU A 17 3.423 -2.582 2.468 1.00 0.00 H new ATOM 0 HA GLU A 17 2.684 -5.162 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.868 -4.344 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.915 -5.957 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.433 -5.333 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.997 -3.638 1.890 1.00 0.00 H new ATOM 253 N ASN A 18 0.909 -3.912 3.917 1.00 0.00 N ATOM 254 CA ASN A 18 -0.297 -4.096 4.769 1.00 0.00 C ATOM 255 C ASN A 18 -1.506 -4.498 3.901 1.00 0.00 C ATOM 256 O ASN A 18 -2.343 -5.270 4.326 1.00 0.00 O ATOM 257 CB ASN A 18 -0.555 -2.762 5.505 1.00 0.00 C ATOM 258 CG ASN A 18 -0.132 -2.846 6.964 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.473 -1.830 7.501 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 -0.354 -3.843 7.621 1.00 0.00 N flip ATOM 0 H ASN A 18 1.286 -2.964 3.913 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.142 -4.895 5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.007 -1.960 5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.614 -2.510 5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.829 -4.639 7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.065 -3.885 8.598 1.00 0.00 H new ATOM 267 N TYR A 19 -1.610 -3.999 2.693 1.00 0.00 N ATOM 268 CA TYR A 19 -2.773 -4.385 1.832 1.00 0.00 C ATOM 269 C TYR A 19 -2.473 -5.716 1.150 1.00 0.00 C ATOM 270 O TYR A 19 -3.292 -6.252 0.430 1.00 0.00 O ATOM 271 CB TYR A 19 -3.017 -3.313 0.769 1.00 0.00 C ATOM 272 CG TYR A 19 -3.452 -2.030 1.437 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.774 -1.871 1.869 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.530 -0.999 1.622 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.171 -0.679 2.488 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.924 0.195 2.240 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.245 0.355 2.674 1.00 0.00 C ATOM 278 OH TYR A 19 -4.636 1.531 3.281 1.00 0.00 O ATOM 0 H TYR A 19 -0.948 -3.348 2.269 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.664 -4.479 2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.108 -3.145 0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.782 -3.648 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.488 -2.668 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.510 -1.122 1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.191 -0.557 2.822 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.209 0.992 2.381 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.872 2.142 3.333 1.00 0.00 H new ATOM 288 N CYS A 20 -1.302 -6.254 1.373 1.00 0.00 N ATOM 289 CA CYS A 20 -0.930 -7.554 0.744 1.00 0.00 C ATOM 290 C CYS A 20 -1.030 -8.675 1.776 1.00 0.00 C ATOM 291 O CYS A 20 -0.774 -8.485 2.948 1.00 0.00 O ATOM 292 CB CYS A 20 0.499 -7.476 0.217 1.00 0.00 C ATOM 293 SG CYS A 20 1.057 -9.135 -0.232 1.00 0.00 S ATOM 0 H CYS A 20 -0.583 -5.844 1.969 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.612 -7.761 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.544 -6.817 -0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.156 -7.051 0.975 1.00 0.00 H new ATOM 298 N ASN A 21 -1.400 -9.846 1.341 1.00 0.00 N ATOM 299 CA ASN A 21 -1.518 -10.989 2.276 1.00 0.00 C ATOM 300 C ASN A 21 -0.155 -11.263 2.919 1.00 0.00 C ATOM 301 O ASN A 21 0.801 -11.441 2.182 1.00 0.00 O ATOM 302 CB ASN A 21 -1.975 -12.218 1.490 1.00 0.00 C ATOM 303 CG ASN A 21 -3.475 -12.119 1.202 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.125 -11.180 1.618 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.055 -13.056 0.504 1.00 0.00 N ATOM 306 OXT ASN A 21 -0.092 -11.289 4.138 1.00 0.00 O ATOM 0 H ASN A 21 -1.627 -10.058 0.369 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.241 -10.761 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.420 -12.291 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.763 -13.124 2.058 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.054 -13.001 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.509 -13.844 0.155 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.211 1.540 0.064 1.00 0.00 N ATOM 315 CA PHE B 22 11.370 1.932 -1.102 1.00 0.00 C ATOM 316 C PHE B 22 11.339 3.461 -1.207 1.00 0.00 C ATOM 317 O PHE B 22 11.406 4.160 -0.215 1.00 0.00 O ATOM 318 CB PHE B 22 9.943 1.382 -0.904 1.00 0.00 C ATOM 319 CG PHE B 22 9.304 1.090 -2.245 1.00 0.00 C ATOM 320 CD1 PHE B 22 8.428 2.015 -2.826 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.592 -0.110 -2.903 1.00 0.00 C ATOM 322 CE1 PHE B 22 7.840 1.738 -4.066 1.00 0.00 C ATOM 323 CE2 PHE B 22 9.005 -0.387 -4.143 1.00 0.00 C ATOM 324 CZ PHE B 22 8.129 0.537 -4.725 1.00 0.00 C ATOM 0 HA PHE B 22 11.786 1.520 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE B 22 9.976 0.473 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE B 22 9.340 2.105 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE B 22 8.206 2.942 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE B 22 10.268 -0.823 -2.454 1.00 0.00 H new ATOM 0 HE1 PHE B 22 7.164 2.451 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.228 -1.314 -4.651 1.00 0.00 H new ATOM 0 HZ PHE B 22 7.676 0.323 -5.682 1.00 0.00 H new ATOM 336 N VAL B 23 11.240 3.986 -2.397 1.00 0.00 N ATOM 337 CA VAL B 23 11.209 5.467 -2.552 1.00 0.00 C ATOM 338 C VAL B 23 9.861 6.008 -2.084 1.00 0.00 C ATOM 339 O VAL B 23 8.858 5.323 -2.123 1.00 0.00 O ATOM 340 CB VAL B 23 11.407 5.845 -4.021 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.200 5.376 -4.843 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.531 7.367 -4.127 1.00 0.00 C ATOM 0 H VAL B 23 11.179 3.455 -3.266 1.00 0.00 H new ATOM 0 HA VAL B 23 12.011 5.896 -1.951 1.00 0.00 H new ATOM 0 HB VAL B 23 12.309 5.368 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.345 5.647 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.101 4.294 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL B 23 9.295 5.853 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.673 7.649 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.623 7.834 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.386 7.704 -3.541 1.00 0.00 H new ATOM 352 N ASN B 24 9.829 7.242 -1.654 1.00 0.00 N ATOM 353 CA ASN B 24 8.552 7.854 -1.193 1.00 0.00 C ATOM 354 C ASN B 24 7.998 8.742 -2.317 1.00 0.00 C ATOM 355 O ASN B 24 8.338 9.903 -2.435 1.00 0.00 O ATOM 356 CB ASN B 24 8.816 8.698 0.069 1.00 0.00 C ATOM 357 CG ASN B 24 10.092 8.217 0.767 1.00 0.00 C ATOM 358 OD1 ASN B 24 11.186 8.480 0.308 1.00 0.00 O ATOM 359 ND2 ASN B 24 9.996 7.519 1.866 1.00 0.00 N ATOM 0 H ASN B 24 10.642 7.856 -1.603 1.00 0.00 H new ATOM 0 HA ASN B 24 7.826 7.077 -0.951 1.00 0.00 H new ATOM 0 HB2 ASN B 24 8.914 9.749 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN B 24 7.969 8.622 0.751 1.00 0.00 H new ATOM 0 HD21 ASN B 24 10.839 7.194 2.339 1.00 0.00 H new ATOM 0 HD22 ASN B 24 9.078 7.298 2.251 1.00 0.00 H new ATOM 366 N GLN B 25 7.154 8.194 -3.146 1.00 0.00 N ATOM 367 CA GLN B 25 6.566 8.978 -4.275 1.00 0.00 C ATOM 368 C GLN B 25 5.059 8.726 -4.343 1.00 0.00 C ATOM 369 O GLN B 25 4.597 7.619 -4.156 1.00 0.00 O ATOM 370 CB GLN B 25 7.215 8.526 -5.587 1.00 0.00 C ATOM 371 CG GLN B 25 6.880 9.517 -6.701 1.00 0.00 C ATOM 372 CD GLN B 25 5.428 9.331 -7.122 1.00 0.00 C ATOM 373 OE1 GLN B 25 4.628 10.239 -7.019 1.00 0.00 O ATOM 374 NE2 GLN B 25 5.055 8.178 -7.597 1.00 0.00 N ATOM 0 H GLN B 25 6.841 7.225 -3.091 1.00 0.00 H new ATOM 0 HA GLN B 25 6.748 10.041 -4.118 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.296 8.456 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN B 25 6.860 7.531 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.042 10.538 -6.356 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.541 9.360 -7.554 1.00 0.00 H new ATOM 0 HE21 GLN B 25 5.731 7.419 -7.682 1.00 0.00 H new ATOM 0 HE22 GLN B 25 4.087 8.034 -7.885 1.00 0.00 H new ATOM 383 N HIS B 26 4.288 9.748 -4.605 1.00 0.00 N ATOM 384 CA HIS B 26 2.816 9.572 -4.681 1.00 0.00 C ATOM 385 C HIS B 26 2.453 8.677 -5.864 1.00 0.00 C ATOM 386 O HIS B 26 2.578 9.062 -7.010 1.00 0.00 O ATOM 387 CB HIS B 26 2.173 10.943 -4.869 1.00 0.00 C ATOM 388 CG HIS B 26 2.828 11.917 -3.945 1.00 0.00 C ATOM 389 ND1 HIS B 26 4.162 12.278 -4.049 1.00 0.00 N ATOM 390 CD2 HIS B 26 2.342 12.589 -2.873 1.00 0.00 C ATOM 391 CE1 HIS B 26 4.420 13.137 -3.045 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.341 13.362 -2.306 1.00 0.00 N ATOM 0 H HIS B 26 4.619 10.699 -4.770 1.00 0.00 H new ATOM 0 HA HIS B 26 2.456 9.105 -3.764 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.283 11.272 -5.902 1.00 0.00 H new ATOM 0 HB3 HIS B 26 1.104 10.889 -4.663 1.00 0.00 H new ATOM 0 HD2 HIS B 26 1.325 12.530 -2.514 1.00 0.00 H new ATOM 0 HE1 HIS B 26 5.385 13.587 -2.864 1.00 0.00 H new ATOM 0 HE2 HIS B 26 3.264 13.974 -1.494 1.00 0.00 H new ATOM 401 N LEU B 27 1.995 7.487 -5.596 1.00 0.00 N ATOM 402 CA LEU B 27 1.614 6.563 -6.698 1.00 0.00 C ATOM 403 C LEU B 27 0.134 6.744 -7.033 1.00 0.00 C ATOM 404 O LEU B 27 -0.677 7.035 -6.180 1.00 0.00 O ATOM 405 CB LEU B 27 1.831 5.117 -6.262 1.00 0.00 C ATOM 406 CG LEU B 27 3.207 4.946 -5.605 1.00 0.00 C ATOM 407 CD1 LEU B 27 3.241 3.629 -4.833 1.00 0.00 C ATOM 408 CD2 LEU B 27 4.288 4.926 -6.684 1.00 0.00 C ATOM 0 H LEU B 27 1.868 7.113 -4.656 1.00 0.00 H new ATOM 0 HA LEU B 27 2.229 6.788 -7.569 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.050 4.823 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.751 4.456 -7.125 1.00 0.00 H new ATOM 0 HG LEU B 27 3.388 5.776 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.218 3.506 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.469 3.638 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU B 27 3.060 2.801 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.266 4.805 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU B 27 4.106 4.096 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU B 27 4.265 5.864 -7.239 1.00 0.00 H new ATOM 420 N CYS B 28 -0.218 6.543 -8.266 1.00 0.00 N ATOM 421 CA CYS B 28 -1.640 6.673 -8.682 1.00 0.00 C ATOM 422 C CYS B 28 -1.851 5.823 -9.934 1.00 0.00 C ATOM 423 O CYS B 28 -0.946 5.155 -10.394 1.00 0.00 O ATOM 424 CB CYS B 28 -1.957 8.138 -8.990 1.00 0.00 C ATOM 425 SG CYS B 28 -1.556 9.165 -7.552 1.00 0.00 S ATOM 0 H CYS B 28 0.426 6.291 -9.015 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.299 6.335 -7.883 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.385 8.469 -9.857 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -3.012 8.246 -9.244 1.00 0.00 H new ATOM 430 N GLY B 29 -3.028 5.829 -10.492 1.00 0.00 N ATOM 431 CA GLY B 29 -3.260 5.002 -11.710 1.00 0.00 C ATOM 432 C GLY B 29 -2.816 3.568 -11.429 1.00 0.00 C ATOM 433 O GLY B 29 -2.968 3.065 -10.333 1.00 0.00 O ATOM 0 H GLY B 29 -3.832 6.364 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -4.315 5.023 -11.984 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.704 5.410 -12.554 1.00 0.00 H new ATOM 437 N SER B 30 -2.268 2.904 -12.405 1.00 0.00 N ATOM 438 CA SER B 30 -1.813 1.502 -12.185 1.00 0.00 C ATOM 439 C SER B 30 -0.473 1.505 -11.439 1.00 0.00 C ATOM 440 O SER B 30 -0.085 0.517 -10.851 1.00 0.00 O ATOM 441 CB SER B 30 -1.657 0.789 -13.529 1.00 0.00 C ATOM 442 OG SER B 30 -2.719 1.176 -14.392 1.00 0.00 O ATOM 0 H SER B 30 -2.115 3.269 -13.345 1.00 0.00 H new ATOM 0 HA SER B 30 -2.556 0.974 -11.587 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.697 1.042 -13.979 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.666 -0.291 -13.384 1.00 0.00 H new ATOM 0 HG SER B 30 -2.621 0.722 -15.255 1.00 0.00 H new ATOM 448 N ASP B 31 0.234 2.608 -11.449 1.00 0.00 N ATOM 449 CA ASP B 31 1.544 2.662 -10.725 1.00 0.00 C ATOM 450 C ASP B 31 1.354 2.081 -9.326 1.00 0.00 C ATOM 451 O ASP B 31 1.992 1.122 -8.938 1.00 0.00 O ATOM 452 CB ASP B 31 2.010 4.118 -10.602 1.00 0.00 C ATOM 453 CG ASP B 31 1.981 4.786 -11.979 1.00 0.00 C ATOM 454 OD1 ASP B 31 1.309 4.265 -12.854 1.00 0.00 O ATOM 455 OD2 ASP B 31 2.631 5.807 -12.134 1.00 0.00 O ATOM 0 H ASP B 31 -0.036 3.469 -11.924 1.00 0.00 H new ATOM 0 HA ASP B 31 2.291 2.090 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.364 4.660 -9.911 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.019 4.154 -10.191 1.00 0.00 H new ATOM 460 N LEU B 32 0.458 2.654 -8.579 1.00 0.00 N ATOM 461 CA LEU B 32 0.176 2.156 -7.207 1.00 0.00 C ATOM 462 C LEU B 32 -0.038 0.644 -7.260 1.00 0.00 C ATOM 463 O LEU B 32 0.630 -0.111 -6.582 1.00 0.00 O ATOM 464 CB LEU B 32 -1.093 2.850 -6.715 1.00 0.00 C ATOM 465 CG LEU B 32 -1.591 2.217 -5.419 1.00 0.00 C ATOM 466 CD1 LEU B 32 -0.454 2.155 -4.394 1.00 0.00 C ATOM 467 CD2 LEU B 32 -2.729 3.076 -4.877 1.00 0.00 C ATOM 0 H LEU B 32 -0.100 3.459 -8.865 1.00 0.00 H new ATOM 0 HA LEU B 32 1.005 2.369 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.894 3.910 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.868 2.784 -7.478 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.940 1.202 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.819 1.702 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.364 1.556 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.097 3.163 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.102 2.643 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.364 4.085 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.536 3.115 -5.609 1.00 0.00 H new ATOM 479 N VAL B 33 -0.956 0.193 -8.070 1.00 0.00 N ATOM 480 CA VAL B 33 -1.195 -1.272 -8.169 1.00 0.00 C ATOM 481 C VAL B 33 0.124 -1.963 -8.449 1.00 0.00 C ATOM 482 O VAL B 33 0.558 -2.830 -7.717 1.00 0.00 O ATOM 483 CB VAL B 33 -2.141 -1.570 -9.336 1.00 0.00 C ATOM 484 CG1 VAL B 33 -2.080 -3.069 -9.688 1.00 0.00 C ATOM 485 CG2 VAL B 33 -3.560 -1.189 -8.939 1.00 0.00 C ATOM 0 H VAL B 33 -1.548 0.773 -8.664 1.00 0.00 H new ATOM 0 HA VAL B 33 -1.633 -1.626 -7.236 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.839 -0.990 -10.208 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.755 -3.275 -10.519 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.062 -3.335 -9.973 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -2.380 -3.659 -8.822 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.238 -1.399 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.862 -1.768 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.598 -0.126 -8.700 1.00 0.00 H new ATOM 495 N GLU B 34 0.740 -1.595 -9.538 1.00 0.00 N ATOM 496 CA GLU B 34 2.021 -2.222 -9.934 1.00 0.00 C ATOM 497 C GLU B 34 2.896 -2.384 -8.691 1.00 0.00 C ATOM 498 O GLU B 34 3.523 -3.402 -8.489 1.00 0.00 O ATOM 499 CB GLU B 34 2.711 -1.326 -10.987 1.00 0.00 C ATOM 500 CG GLU B 34 2.871 -2.076 -12.315 1.00 0.00 C ATOM 501 CD GLU B 34 3.565 -1.170 -13.333 1.00 0.00 C ATOM 502 OE1 GLU B 34 2.915 -0.777 -14.287 1.00 0.00 O ATOM 503 OE2 GLU B 34 4.736 -0.885 -13.141 1.00 0.00 O ATOM 0 H GLU B 34 0.401 -0.875 -10.176 1.00 0.00 H new ATOM 0 HA GLU B 34 1.853 -3.206 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.124 -0.421 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.688 -1.012 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.454 -2.984 -12.164 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.895 -2.383 -12.691 1.00 0.00 H new ATOM 510 N ALA B 35 2.907 -1.394 -7.843 1.00 0.00 N ATOM 511 CA ALA B 35 3.708 -1.505 -6.604 1.00 0.00 C ATOM 512 C ALA B 35 3.222 -2.727 -5.837 1.00 0.00 C ATOM 513 O ALA B 35 3.959 -3.657 -5.620 1.00 0.00 O ATOM 514 CB ALA B 35 3.524 -0.241 -5.761 1.00 0.00 C ATOM 0 H ALA B 35 2.397 -0.518 -7.958 1.00 0.00 H new ATOM 0 HA ALA B 35 4.767 -1.611 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA B 35 4.114 -0.323 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.855 0.627 -6.330 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.471 -0.126 -5.503 1.00 0.00 H new ATOM 520 N LEU B 36 1.977 -2.759 -5.452 1.00 0.00 N ATOM 521 CA LEU B 36 1.475 -3.958 -4.732 1.00 0.00 C ATOM 522 C LEU B 36 1.830 -5.191 -5.552 1.00 0.00 C ATOM 523 O LEU B 36 2.335 -6.170 -5.041 1.00 0.00 O ATOM 524 CB LEU B 36 -0.044 -3.882 -4.581 1.00 0.00 C ATOM 525 CG LEU B 36 -0.425 -2.751 -3.610 1.00 0.00 C ATOM 526 CD1 LEU B 36 -1.861 -2.312 -3.877 1.00 0.00 C ATOM 527 CD2 LEU B 36 -0.334 -3.249 -2.167 1.00 0.00 C ATOM 0 H LEU B 36 1.294 -2.016 -5.603 1.00 0.00 H new ATOM 0 HA LEU B 36 1.928 -4.008 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.505 -3.707 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.428 -4.833 -4.212 1.00 0.00 H new ATOM 0 HG LEU B 36 0.260 -1.916 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -2.130 -1.511 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.947 -1.954 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.533 -3.157 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.605 -2.442 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.017 -4.087 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.685 -3.573 -1.958 1.00 0.00 H new ATOM 539 N TYR B 37 1.595 -5.139 -6.833 1.00 0.00 N ATOM 540 CA TYR B 37 1.949 -6.296 -7.689 1.00 0.00 C ATOM 541 C TYR B 37 3.437 -6.576 -7.479 1.00 0.00 C ATOM 542 O TYR B 37 3.910 -7.683 -7.636 1.00 0.00 O ATOM 543 CB TYR B 37 1.669 -5.940 -9.151 1.00 0.00 C ATOM 544 CG TYR B 37 1.752 -7.184 -10.004 1.00 0.00 C ATOM 545 CD1 TYR B 37 0.607 -7.956 -10.229 1.00 0.00 C ATOM 546 CD2 TYR B 37 2.976 -7.565 -10.569 1.00 0.00 C ATOM 547 CE1 TYR B 37 0.684 -9.109 -11.020 1.00 0.00 C ATOM 548 CE2 TYR B 37 3.053 -8.718 -11.360 1.00 0.00 C ATOM 549 CZ TYR B 37 1.906 -9.490 -11.585 1.00 0.00 C ATOM 550 OH TYR B 37 1.982 -10.626 -12.364 1.00 0.00 O ATOM 0 H TYR B 37 1.175 -4.347 -7.319 1.00 0.00 H new ATOM 0 HA TYR B 37 1.362 -7.179 -7.434 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.680 -5.490 -9.243 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.390 -5.200 -9.499 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.336 -7.663 -9.793 1.00 0.00 H new ATOM 0 HD2 TYR B 37 3.860 -6.970 -10.395 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.200 -9.704 -11.194 1.00 0.00 H new ATOM 0 HE2 TYR B 37 3.996 -9.012 -11.796 1.00 0.00 H new ATOM 0 HH TYR B 37 2.902 -10.746 -12.679 1.00 0.00 H new ATOM 560 N LEU B 38 4.164 -5.560 -7.096 1.00 0.00 N ATOM 561 CA LEU B 38 5.618 -5.706 -6.830 1.00 0.00 C ATOM 562 C LEU B 38 5.799 -6.197 -5.384 1.00 0.00 C ATOM 563 O LEU B 38 6.293 -7.278 -5.133 1.00 0.00 O ATOM 564 CB LEU B 38 6.259 -4.319 -7.012 1.00 0.00 C ATOM 565 CG LEU B 38 7.710 -4.424 -7.488 1.00 0.00 C ATOM 566 CD1 LEU B 38 7.760 -4.717 -8.990 1.00 0.00 C ATOM 567 CD2 LEU B 38 8.398 -3.086 -7.224 1.00 0.00 C ATOM 0 H LEU B 38 3.800 -4.618 -6.955 1.00 0.00 H new ATOM 0 HA LEU B 38 6.086 -6.422 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.680 -3.742 -7.734 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.224 -3.775 -6.068 1.00 0.00 H new ATOM 0 HG LEU B 38 8.209 -5.233 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.799 -4.789 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.251 -5.659 -9.194 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.266 -3.912 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.435 -3.138 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU B 38 7.881 -2.297 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.370 -2.867 -6.157 1.00 0.00 H new ATOM 579 N VAL B 39 5.381 -5.396 -4.440 1.00 0.00 N ATOM 580 CA VAL B 39 5.492 -5.770 -3.004 1.00 0.00 C ATOM 581 C VAL B 39 4.843 -7.135 -2.779 1.00 0.00 C ATOM 582 O VAL B 39 5.453 -8.055 -2.271 1.00 0.00 O ATOM 583 CB VAL B 39 4.748 -4.716 -2.166 1.00 0.00 C ATOM 584 CG1 VAL B 39 4.921 -4.989 -0.676 1.00 0.00 C ATOM 585 CG2 VAL B 39 5.303 -3.333 -2.476 1.00 0.00 C ATOM 0 H VAL B 39 4.960 -4.482 -4.609 1.00 0.00 H new ATOM 0 HA VAL B 39 6.541 -5.816 -2.713 1.00 0.00 H new ATOM 0 HB VAL B 39 3.689 -4.765 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.387 -4.231 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.520 -5.974 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL B 39 5.980 -4.957 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.775 -2.587 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL B 39 6.365 -3.304 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.167 -3.115 -3.535 1.00 0.00 H new ATOM 595 N CYS B 40 3.598 -7.252 -3.129 1.00 0.00 N ATOM 596 CA CYS B 40 2.870 -8.532 -2.918 1.00 0.00 C ATOM 597 C CYS B 40 3.384 -9.615 -3.876 1.00 0.00 C ATOM 598 O CYS B 40 3.356 -10.788 -3.566 1.00 0.00 O ATOM 599 CB CYS B 40 1.371 -8.275 -3.141 1.00 0.00 C ATOM 600 SG CYS B 40 0.374 -9.388 -2.118 1.00 0.00 S ATOM 0 H CYS B 40 3.046 -6.509 -3.557 1.00 0.00 H new ATOM 0 HA CYS B 40 3.038 -8.891 -1.903 1.00 0.00 H new ATOM 0 HB2 CYS B 40 1.134 -7.239 -2.898 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.124 -8.420 -4.193 1.00 0.00 H new ATOM 605 N GLY B 41 3.856 -9.243 -5.030 1.00 0.00 N ATOM 606 CA GLY B 41 4.366 -10.274 -5.978 1.00 0.00 C ATOM 607 C GLY B 41 3.298 -11.351 -6.193 1.00 0.00 C ATOM 608 O GLY B 41 2.158 -11.058 -6.496 1.00 0.00 O ATOM 0 H GLY B 41 3.912 -8.279 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.625 -9.810 -6.930 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.277 -10.725 -5.584 1.00 0.00 H new ATOM 612 N GLU B 42 3.662 -12.598 -6.047 1.00 0.00 N ATOM 613 CA GLU B 42 2.675 -13.699 -6.253 1.00 0.00 C ATOM 614 C GLU B 42 1.845 -13.921 -4.984 1.00 0.00 C ATOM 615 O GLU B 42 0.941 -14.732 -4.964 1.00 0.00 O ATOM 616 CB GLU B 42 3.423 -14.989 -6.600 1.00 0.00 C ATOM 617 CG GLU B 42 4.287 -15.414 -5.410 1.00 0.00 C ATOM 618 CD GLU B 42 5.239 -16.530 -5.844 1.00 0.00 C ATOM 619 OE1 GLU B 42 4.759 -17.614 -6.131 1.00 0.00 O ATOM 620 OE2 GLU B 42 6.433 -16.280 -5.883 1.00 0.00 O ATOM 0 H GLU B 42 4.602 -12.902 -5.793 1.00 0.00 H new ATOM 0 HA GLU B 42 2.005 -13.424 -7.068 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.713 -15.778 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.048 -14.834 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU B 42 4.855 -14.562 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU B 42 3.654 -15.759 -4.592 1.00 0.00 H new ATOM 627 N ARG B 43 2.139 -13.218 -3.926 1.00 0.00 N ATOM 628 CA ARG B 43 1.355 -13.412 -2.671 1.00 0.00 C ATOM 629 C ARG B 43 -0.108 -13.038 -2.916 1.00 0.00 C ATOM 630 O ARG B 43 -1.014 -13.624 -2.357 1.00 0.00 O ATOM 631 CB ARG B 43 1.919 -12.523 -1.562 1.00 0.00 C ATOM 632 CG ARG B 43 3.361 -12.918 -1.245 1.00 0.00 C ATOM 633 CD ARG B 43 3.924 -11.979 -0.168 1.00 0.00 C ATOM 634 NE ARG B 43 5.410 -11.982 -0.243 1.00 0.00 N ATOM 635 CZ ARG B 43 6.099 -11.104 0.432 1.00 0.00 C ATOM 636 NH1 ARG B 43 7.402 -11.102 0.361 1.00 0.00 N ATOM 637 NH2 ARG B 43 5.485 -10.228 1.180 1.00 0.00 N ATOM 0 H ARG B 43 2.883 -12.522 -3.874 1.00 0.00 H new ATOM 0 HA ARG B 43 1.423 -14.457 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG B 43 1.881 -11.478 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG B 43 1.305 -12.614 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG B 43 3.399 -13.951 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG B 43 3.971 -12.862 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG B 43 3.543 -10.968 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG B 43 3.597 -12.303 0.820 1.00 0.00 H new ATOM 0 HE ARG B 43 5.890 -12.671 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG B 43 7.882 -11.787 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG B 43 7.940 -10.415 0.889 1.00 0.00 H new ATOM 0 HH21 ARG B 43 4.467 -10.230 1.237 1.00 0.00 H new ATOM 0 HH22 ARG B 43 6.024 -9.541 1.708 1.00 0.00 H new ATOM 651 N GLY B 44 -0.340 -12.065 -3.748 1.00 0.00 N ATOM 652 CA GLY B 44 -1.742 -11.635 -4.045 1.00 0.00 C ATOM 653 C GLY B 44 -2.151 -10.507 -3.092 1.00 0.00 C ATOM 654 O GLY B 44 -2.023 -10.624 -1.887 1.00 0.00 O ATOM 0 H GLY B 44 0.383 -11.542 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -1.817 -11.296 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -2.422 -12.480 -3.937 1.00 0.00 H new ATOM 658 N TYR B 45 -2.642 -9.410 -3.626 1.00 0.00 N ATOM 659 CA TYR B 45 -3.068 -8.257 -2.772 1.00 0.00 C ATOM 660 C TYR B 45 -4.530 -7.937 -3.061 1.00 0.00 C ATOM 661 O TYR B 45 -5.152 -8.549 -3.907 1.00 0.00 O ATOM 662 CB TYR B 45 -2.215 -7.025 -3.099 1.00 0.00 C ATOM 663 CG TYR B 45 -2.318 -6.725 -4.572 1.00 0.00 C ATOM 664 CD1 TYR B 45 -3.096 -5.655 -5.025 1.00 0.00 C ATOM 665 CD2 TYR B 45 -1.627 -7.522 -5.482 1.00 0.00 C ATOM 666 CE1 TYR B 45 -3.182 -5.385 -6.393 1.00 0.00 C ATOM 667 CE2 TYR B 45 -1.711 -7.256 -6.853 1.00 0.00 C ATOM 668 CZ TYR B 45 -2.490 -6.187 -7.310 1.00 0.00 C ATOM 669 OH TYR B 45 -2.575 -5.925 -8.661 1.00 0.00 O ATOM 0 H TYR B 45 -2.766 -9.266 -4.628 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.940 -8.519 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -2.555 -6.168 -2.517 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.176 -7.205 -2.825 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.630 -5.038 -4.318 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.026 -8.346 -5.129 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.782 -4.558 -6.744 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.175 -7.875 -7.558 1.00 0.00 H new ATOM 0 HH TYR B 45 -2.034 -6.575 -9.155 1.00 0.00 H new ATOM 679 N PHE B 46 -5.079 -6.976 -2.362 1.00 0.00 N ATOM 680 CA PHE B 46 -6.509 -6.589 -2.579 1.00 0.00 C ATOM 681 C PHE B 46 -6.564 -5.092 -2.898 1.00 0.00 C ATOM 682 O PHE B 46 -6.244 -4.256 -2.077 1.00 0.00 O ATOM 683 CB PHE B 46 -7.326 -6.959 -1.310 1.00 0.00 C ATOM 684 CG PHE B 46 -7.627 -5.753 -0.440 1.00 0.00 C ATOM 685 CD1 PHE B 46 -7.022 -5.626 0.811 1.00 0.00 C ATOM 686 CD2 PHE B 46 -8.524 -4.777 -0.887 1.00 0.00 C ATOM 687 CE1 PHE B 46 -7.310 -4.521 1.620 1.00 0.00 C ATOM 688 CE2 PHE B 46 -8.812 -3.669 -0.082 1.00 0.00 C ATOM 689 CZ PHE B 46 -8.205 -3.541 1.174 1.00 0.00 C ATOM 0 H PHE B 46 -4.595 -6.438 -1.644 1.00 0.00 H new ATOM 0 HA PHE B 46 -6.948 -7.126 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -8.262 -7.430 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -6.772 -7.694 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -6.331 -6.381 1.155 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -8.994 -4.879 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -6.842 -4.424 2.588 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -9.501 -2.913 -0.429 1.00 0.00 H new ATOM 0 HZ PHE B 46 -8.427 -2.688 1.797 1.00 0.00 H new ATOM 699 N TYR B 47 -6.964 -4.759 -4.098 1.00 0.00 N ATOM 700 CA TYR B 47 -7.048 -3.324 -4.512 1.00 0.00 C ATOM 701 C TYR B 47 -8.422 -3.051 -5.133 1.00 0.00 C ATOM 702 O TYR B 47 -8.725 -3.518 -6.213 1.00 0.00 O ATOM 703 CB TYR B 47 -5.964 -3.030 -5.550 1.00 0.00 C ATOM 704 CG TYR B 47 -6.023 -1.571 -5.919 1.00 0.00 C ATOM 705 CD1 TYR B 47 -5.350 -0.625 -5.138 1.00 0.00 C ATOM 706 CD2 TYR B 47 -6.761 -1.160 -7.036 1.00 0.00 C ATOM 707 CE1 TYR B 47 -5.414 0.728 -5.472 1.00 0.00 C ATOM 708 CE2 TYR B 47 -6.823 0.197 -7.372 1.00 0.00 C ATOM 709 CZ TYR B 47 -6.149 1.142 -6.589 1.00 0.00 C ATOM 710 OH TYR B 47 -6.210 2.481 -6.918 1.00 0.00 O ATOM 0 H TYR B 47 -7.239 -5.427 -4.818 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.906 -2.687 -3.639 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -4.981 -3.278 -5.149 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.112 -3.649 -6.435 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.781 -0.942 -4.277 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.282 -1.890 -7.638 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -4.895 1.457 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.390 0.515 -8.234 1.00 0.00 H new ATOM 0 HH TYR B 47 -6.760 2.596 -7.721 1.00 0.00 H new ATOM 720 N THR B 48 -9.254 -2.296 -4.467 1.00 0.00 N ATOM 721 CA THR B 48 -10.600 -1.999 -5.035 1.00 0.00 C ATOM 722 C THR B 48 -11.316 -0.969 -4.154 1.00 0.00 C ATOM 723 O THR B 48 -10.781 0.079 -3.851 1.00 0.00 O ATOM 724 CB THR B 48 -11.427 -3.289 -5.100 1.00 0.00 C ATOM 725 OG1 THR B 48 -12.773 -2.973 -5.427 1.00 0.00 O ATOM 726 CG2 THR B 48 -11.381 -4.005 -3.748 1.00 0.00 C ATOM 0 H THR B 48 -9.061 -1.874 -3.559 1.00 0.00 H new ATOM 0 HA THR B 48 -10.486 -1.594 -6.040 1.00 0.00 H new ATOM 0 HB THR B 48 -11.011 -3.944 -5.865 1.00 0.00 H new ATOM 0 HG1 THR B 48 -13.301 -3.797 -5.470 1.00 0.00 H new ATOM 0 HG21 THR B 48 -11.970 -4.920 -3.801 1.00 0.00 H new ATOM 0 HG22 THR B 48 -10.348 -4.252 -3.502 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.792 -3.353 -2.977 1.00 0.00 H new ATOM 734 N LYS B 49 -12.522 -1.256 -3.745 1.00 0.00 N ATOM 735 CA LYS B 49 -13.276 -0.298 -2.890 1.00 0.00 C ATOM 736 C LYS B 49 -13.160 1.116 -3.463 1.00 0.00 C ATOM 737 O LYS B 49 -12.851 2.052 -2.752 1.00 0.00 O ATOM 738 CB LYS B 49 -12.713 -0.331 -1.467 1.00 0.00 C ATOM 739 CG LYS B 49 -13.740 0.254 -0.497 1.00 0.00 C ATOM 740 CD LYS B 49 -13.069 0.555 0.845 1.00 0.00 C ATOM 741 CE LYS B 49 -12.607 -0.752 1.497 1.00 0.00 C ATOM 742 NZ LYS B 49 -12.326 -0.514 2.941 1.00 0.00 N ATOM 0 H LYS B 49 -13.019 -2.118 -3.968 1.00 0.00 H new ATOM 0 HA LYS B 49 -14.327 -0.585 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.472 -1.356 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -11.785 0.239 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -14.169 1.166 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -14.561 -0.448 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.217 1.219 0.696 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -13.766 1.074 1.503 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.375 -1.518 1.386 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.712 -1.124 0.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -12.012 -1.401 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.579 0.204 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -13.190 -0.178 3.412 1.00 0.00 H new ATOM 756 N PRO B 50 -13.418 1.267 -4.740 1.00 0.00 N ATOM 757 CA PRO B 50 -13.364 2.571 -5.441 1.00 0.00 C ATOM 758 C PRO B 50 -13.677 3.757 -4.514 1.00 0.00 C ATOM 759 O PRO B 50 -14.817 4.012 -4.179 1.00 0.00 O ATOM 760 CB PRO B 50 -14.445 2.418 -6.532 1.00 0.00 C ATOM 761 CG PRO B 50 -14.706 0.931 -6.676 1.00 0.00 C ATOM 762 CD PRO B 50 -13.789 0.208 -5.683 1.00 0.00 C ATOM 0 HA PRO B 50 -12.370 2.791 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -15.356 2.946 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -14.106 2.845 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -15.752 0.703 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -14.503 0.602 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -14.303 -0.614 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -12.915 -0.216 -6.177 1.00 0.00 H new ATOM 770 N THR B 51 -12.672 4.479 -4.099 1.00 0.00 N ATOM 771 CA THR B 51 -12.910 5.643 -3.198 1.00 0.00 C ATOM 772 C THR B 51 -13.337 6.853 -4.031 1.00 0.00 C ATOM 773 O THR B 51 -12.569 7.259 -4.887 1.00 0.00 O ATOM 774 CB THR B 51 -11.621 5.973 -2.441 1.00 0.00 C ATOM 775 OG1 THR B 51 -10.651 6.465 -3.355 1.00 0.00 O ATOM 776 CG2 THR B 51 -11.087 4.713 -1.757 1.00 0.00 C ATOM 777 OXT THR B 51 -14.425 7.354 -3.797 1.00 0.00 O ATOM 0 H THR B 51 -11.696 4.313 -4.345 1.00 0.00 H new ATOM 0 HA THR B 51 -13.697 5.397 -2.485 1.00 0.00 H new ATOM 0 HB THR B 51 -11.829 6.731 -1.685 1.00 0.00 H new ATOM 0 HG1 THR B 51 -11.102 6.896 -4.111 1.00 0.00 H new ATOM 0 HG21 THR B 51 -10.169 4.952 -1.219 1.00 0.00 H new ATOM 0 HG22 THR B 51 -11.831 4.337 -1.055 1.00 0.00 H new ATOM 0 HG23 THR B 51 -10.879 3.951 -2.509 1.00 0.00 H new TER 785 THR B 51