USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 660 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 48 ASN : amide:sc= -1.79! C(o=-1.8!,f=-5.7!) USER MOD Set 1.2: A 50 MET CE :methyl -163:sc= -0.0107 (180deg=-0.33) USER MOD Single : A 6 THR OG1 : rot -170:sc= -1.75 USER MOD Single : A 12 GLN : amide:sc=-0.00139 K(o=-0.0014,f=-0.53) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 17 SER OG : rot 180:sc= -1.19 USER MOD Single : A 20 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 23 SER OG : rot -18:sc= 0.947 USER MOD Single : A 25 GLN : amide:sc= -5.54! C(o=-5.5!,f=-12!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.768 USER MOD Single : A 29 SER OG : rot 180:sc= -0.369 USER MOD Single : A 32 SER OG : rot -150:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.477 K(o=-0.48,f=-4.3!) USER MOD Single : A 46 GLN : amide:sc= -0.167 K(o=-0.17,f=-1) USER MOD Single : A 51 ASN : amide:sc= -0.0185 K(o=-0.018,f=-2.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 57 GLN : amide:sc= -3.91! C(o=-3.9!,f=-5.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 61 HIS : no HD1:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 66 HIS : no HE2:sc= -1.96! C(o=-2!,f=-5.8!) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.031 (180deg=-0.38) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.539 K(o=-0.54,f=-1.4) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0.132 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 150:sc=-0.00678 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0034 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 58.811 -11.419 13.353 1.00 0.00 N ATOM 45 CA GLU A 4 60.201 -11.007 13.157 1.00 0.00 C ATOM 46 C GLU A 4 60.287 -9.506 12.882 1.00 0.00 C ATOM 47 O GLU A 4 59.315 -8.772 13.063 1.00 0.00 O ATOM 48 CB GLU A 4 60.797 -11.750 11.955 1.00 0.00 C ATOM 49 CG GLU A 4 60.821 -13.258 12.210 1.00 0.00 C ATOM 50 CD GLU A 4 61.794 -13.597 13.334 1.00 0.00 C ATOM 51 OE1 GLU A 4 62.670 -12.791 13.595 1.00 0.00 O ATOM 52 OE2 GLU A 4 61.651 -14.660 13.915 1.00 0.00 O1- ATOM 0 HA GLU A 4 60.754 -11.244 14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 4 60.210 -11.536 11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.809 -11.392 11.765 1.00 0.00 H new ATOM 0 HG2 GLU A 4 59.821 -13.604 12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.112 -13.782 11.299 1.00 0.00 H new ATOM 59 N VAL A 5 61.446 -9.065 12.399 1.00 0.00 N ATOM 60 CA VAL A 5 61.623 -7.664 12.046 1.00 0.00 C ATOM 61 C VAL A 5 60.577 -7.334 10.990 1.00 0.00 C ATOM 62 O VAL A 5 60.095 -8.237 10.308 1.00 0.00 O ATOM 63 CB VAL A 5 63.051 -7.443 11.493 1.00 0.00 C ATOM 64 CG1 VAL A 5 63.507 -8.695 10.719 1.00 0.00 C ATOM 65 CG2 VAL A 5 63.093 -6.219 10.555 1.00 0.00 C ATOM 0 H VAL A 5 62.266 -9.652 12.245 1.00 0.00 H new ATOM 0 HA VAL A 5 61.500 -7.017 12.914 1.00 0.00 H new ATOM 0 HB VAL A 5 63.721 -7.262 12.334 1.00 0.00 H new ATOM 0 HG11 VAL A 5 64.513 -8.536 10.331 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.508 -9.556 11.388 1.00 0.00 H new ATOM 0 HG13 VAL A 5 62.823 -8.880 9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 5 64.107 -6.084 10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.414 -6.379 9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 5 62.788 -5.329 11.105 1.00 0.00 H new ATOM 75 N THR A 6 60.219 -6.063 10.822 1.00 0.00 N ATOM 76 CA THR A 6 59.215 -5.751 9.787 1.00 0.00 C ATOM 77 C THR A 6 59.931 -5.591 8.457 1.00 0.00 C ATOM 78 O THR A 6 60.320 -4.492 8.079 1.00 0.00 O ATOM 79 CB THR A 6 58.431 -4.476 10.121 1.00 0.00 C ATOM 80 OG1 THR A 6 57.722 -4.662 11.337 1.00 0.00 O ATOM 81 CG2 THR A 6 57.429 -4.182 9.004 1.00 0.00 C ATOM 0 H THR A 6 60.579 -5.268 11.350 1.00 0.00 H new ATOM 0 HA THR A 6 58.494 -6.567 9.738 1.00 0.00 H new ATOM 0 HB THR A 6 59.127 -3.643 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.101 -3.916 11.471 1.00 0.00 H new ATOM 0 HG21 THR A 6 56.873 -3.276 9.243 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.963 -4.043 8.064 1.00 0.00 H new ATOM 0 HG23 THR A 6 56.736 -5.018 8.907 1.00 0.00 H new ATOM 89 N ILE A 7 60.132 -6.711 7.767 1.00 0.00 N ATOM 90 CA ILE A 7 60.852 -6.700 6.497 1.00 0.00 C ATOM 91 C ILE A 7 59.954 -6.345 5.321 1.00 0.00 C ATOM 92 O ILE A 7 59.348 -7.198 4.674 1.00 0.00 O ATOM 93 CB ILE A 7 61.534 -8.059 6.302 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.542 -8.003 5.132 1.00 0.00 C ATOM 95 CG2 ILE A 7 60.488 -9.166 6.045 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.624 -9.075 5.328 1.00 0.00 C ATOM 0 H ILE A 7 59.809 -7.632 8.064 1.00 0.00 H new ATOM 0 HA ILE A 7 61.609 -5.917 6.533 1.00 0.00 H new ATOM 0 HB ILE A 7 62.075 -8.296 7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 7 62.025 -8.163 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.000 -7.015 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 7 60.995 -10.121 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 7 59.811 -9.232 6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 7 59.919 -8.927 5.147 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.333 -9.032 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.149 -8.894 6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.159 -10.060 5.357 1.00 0.00 H new ATOM 108 N LEU A 8 59.917 -5.048 5.059 1.00 0.00 N ATOM 109 CA LEU A 8 59.143 -4.469 3.957 1.00 0.00 C ATOM 110 C LEU A 8 60.060 -3.588 3.113 1.00 0.00 C ATOM 111 O LEU A 8 60.125 -2.375 3.311 1.00 0.00 O ATOM 112 CB LEU A 8 57.985 -3.620 4.501 1.00 0.00 C ATOM 113 CG LEU A 8 56.992 -4.498 5.278 1.00 0.00 C ATOM 114 CD1 LEU A 8 55.896 -3.614 5.887 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.355 -5.538 4.334 1.00 0.00 C ATOM 0 H LEU A 8 60.427 -4.355 5.607 1.00 0.00 H new ATOM 0 HA LEU A 8 58.732 -5.276 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.375 -2.838 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.473 -3.123 3.677 1.00 0.00 H new ATOM 0 HG LEU A 8 57.523 -5.020 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.191 -4.236 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.348 -2.889 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.369 -3.087 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.653 -6.156 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.826 -5.025 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.135 -6.170 3.909 1.00 0.00 H new ATOM 127 N GLU A 9 60.788 -4.212 2.188 1.00 0.00 N ATOM 128 CA GLU A 9 61.731 -3.492 1.323 1.00 0.00 C ATOM 129 C GLU A 9 61.404 -3.712 -0.154 1.00 0.00 C ATOM 130 O GLU A 9 61.995 -4.572 -0.802 1.00 0.00 O ATOM 131 CB GLU A 9 63.160 -3.985 1.600 1.00 0.00 C ATOM 132 CG GLU A 9 63.237 -5.530 1.498 1.00 0.00 C ATOM 133 CD GLU A 9 64.265 -6.090 2.482 1.00 0.00 C ATOM 134 OE1 GLU A 9 65.056 -5.316 2.994 1.00 0.00 O ATOM 135 OE2 GLU A 9 64.239 -7.288 2.711 1.00 0.00 O1- ATOM 0 H GLU A 9 60.745 -5.216 2.016 1.00 0.00 H new ATOM 0 HA GLU A 9 61.649 -2.427 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.850 -3.534 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.474 -3.665 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.257 -5.962 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 9 63.505 -5.819 0.482 1.00 0.00 H new ATOM 142 N PRO A 10 60.489 -2.951 -0.700 1.00 0.00 N ATOM 143 CA PRO A 10 60.103 -3.078 -2.133 1.00 0.00 C ATOM 144 C PRO A 10 61.200 -2.551 -3.060 1.00 0.00 C ATOM 145 O PRO A 10 60.955 -2.274 -4.234 1.00 0.00 O ATOM 146 CB PRO A 10 58.791 -2.268 -2.265 1.00 0.00 C ATOM 147 CG PRO A 10 58.479 -1.711 -0.893 1.00 0.00 C ATOM 148 CD PRO A 10 59.729 -1.891 -0.023 1.00 0.00 C ATOM 0 HA PRO A 10 59.963 -4.118 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 10 58.905 -1.464 -2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.979 -2.903 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.208 -0.657 -0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.628 -2.231 -0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.305 -0.968 0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.467 -2.177 0.996 1.00 0.00 H new ATOM 156 N LEU A 11 62.409 -2.416 -2.523 1.00 0.00 N ATOM 157 CA LEU A 11 63.535 -1.923 -3.309 1.00 0.00 C ATOM 158 C LEU A 11 63.909 -2.927 -4.398 1.00 0.00 C ATOM 159 O LEU A 11 64.887 -3.659 -4.261 1.00 0.00 O ATOM 160 CB LEU A 11 64.749 -1.711 -2.401 1.00 0.00 C ATOM 161 CG LEU A 11 64.395 -0.750 -1.260 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.593 -0.639 -0.315 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.050 0.642 -1.826 1.00 0.00 C ATOM 0 H LEU A 11 62.633 -2.639 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 11 63.242 -0.980 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.078 -2.666 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.580 -1.309 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 11 63.529 -1.132 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.351 0.043 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.828 -1.623 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.455 -0.258 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 11 63.800 1.316 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.908 1.036 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.198 0.559 -2.501 1.00 0.00 H new ATOM 175 N GLN A 12 63.131 -2.961 -5.477 1.00 0.00 N ATOM 176 CA GLN A 12 63.410 -3.887 -6.570 1.00 0.00 C ATOM 177 C GLN A 12 64.653 -3.442 -7.339 1.00 0.00 C ATOM 178 O GLN A 12 65.704 -4.077 -7.262 1.00 0.00 O ATOM 179 CB GLN A 12 62.214 -3.938 -7.525 1.00 0.00 C ATOM 180 CG GLN A 12 62.440 -5.016 -8.590 1.00 0.00 C ATOM 181 CD GLN A 12 61.286 -5.002 -9.586 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.857 -3.934 -10.024 1.00 0.00 O ATOM 183 NE2 GLN A 12 60.753 -6.128 -9.975 1.00 0.00 N ATOM 0 H GLN A 12 62.314 -2.367 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 12 63.586 -4.877 -6.150 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.302 -4.151 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 12 62.077 -2.967 -8.002 1.00 0.00 H new ATOM 0 HG2 GLN A 12 63.382 -4.838 -9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 12 62.515 -5.996 -8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 12 61.108 -7.013 -9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 12 59.981 -6.123 -10.642 1.00 0.00 H new ATOM 192 N ASP A 13 64.518 -2.342 -8.074 1.00 0.00 N ATOM 193 CA ASP A 13 65.628 -1.805 -8.858 1.00 0.00 C ATOM 194 C ASP A 13 65.218 -0.503 -9.533 1.00 0.00 C ATOM 195 O ASP A 13 64.038 -0.280 -9.809 1.00 0.00 O ATOM 196 CB ASP A 13 66.068 -2.816 -9.921 1.00 0.00 C ATOM 197 CG ASP A 13 64.869 -3.257 -10.755 1.00 0.00 C ATOM 198 OD1 ASP A 13 65.077 -3.976 -11.721 1.00 0.00 O ATOM 199 OD2 ASP A 13 63.762 -2.878 -10.413 1.00 0.00 O1- ATOM 0 H ASP A 13 63.653 -1.805 -8.144 1.00 0.00 H new ATOM 0 HA ASP A 13 66.461 -1.611 -8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 13 66.825 -2.370 -10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 13 66.526 -3.682 -9.443 1.00 0.00 H new ATOM 204 N VAL A 14 66.200 0.364 -9.784 1.00 0.00 N ATOM 205 CA VAL A 14 65.941 1.662 -10.417 1.00 0.00 C ATOM 206 C VAL A 14 66.971 1.957 -11.507 1.00 0.00 C ATOM 207 O VAL A 14 68.045 1.355 -11.538 1.00 0.00 O ATOM 208 CB VAL A 14 65.985 2.761 -9.356 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.759 2.643 -8.444 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.261 2.603 -8.520 1.00 0.00 C ATOM 0 H VAL A 14 67.180 0.193 -9.560 1.00 0.00 H new ATOM 0 HA VAL A 14 64.955 1.631 -10.880 1.00 0.00 H new ATOM 0 HB VAL A 14 65.981 3.738 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.791 3.427 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.852 2.749 -9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.761 1.668 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.298 3.385 -7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.260 1.627 -8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 14 68.133 2.685 -9.168 1.00 0.00 H new ATOM 220 N GLN A 15 66.632 2.891 -12.399 1.00 0.00 N ATOM 221 CA GLN A 15 67.527 3.277 -13.496 1.00 0.00 C ATOM 222 C GLN A 15 67.608 4.796 -13.606 1.00 0.00 C ATOM 223 O GLN A 15 66.604 5.493 -13.459 1.00 0.00 O ATOM 224 CB GLN A 15 67.020 2.694 -14.819 1.00 0.00 C ATOM 225 CG GLN A 15 65.517 2.946 -14.956 1.00 0.00 C ATOM 226 CD GLN A 15 65.027 2.410 -16.296 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.591 1.449 -16.820 1.00 0.00 O ATOM 228 NE2 GLN A 15 64.008 2.975 -16.884 1.00 0.00 N ATOM 0 H GLN A 15 65.745 3.394 -12.384 1.00 0.00 H new ATOM 0 HA GLN A 15 68.521 2.882 -13.285 1.00 0.00 H new ATOM 0 HB2 GLN A 15 67.552 3.149 -15.655 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.223 1.624 -14.857 1.00 0.00 H new ATOM 0 HG2 GLN A 15 64.981 2.460 -14.141 1.00 0.00 H new ATOM 0 HG3 GLN A 15 65.309 4.013 -14.882 1.00 0.00 H new ATOM 0 HE21 GLN A 15 63.544 3.771 -16.447 1.00 0.00 H new ATOM 0 HE22 GLN A 15 63.676 2.621 -17.781 1.00 0.00 H new ATOM 237 N LEU A 16 68.810 5.305 -13.857 1.00 0.00 N ATOM 238 CA LEU A 16 69.006 6.748 -13.976 1.00 0.00 C ATOM 239 C LEU A 16 70.251 7.076 -14.799 1.00 0.00 C ATOM 240 O LEU A 16 71.211 6.307 -14.831 1.00 0.00 O ATOM 241 CB LEU A 16 69.142 7.375 -12.586 1.00 0.00 C ATOM 242 CG LEU A 16 70.306 6.707 -11.798 1.00 0.00 C ATOM 243 CD1 LEU A 16 71.041 7.756 -10.951 1.00 0.00 C ATOM 244 CD2 LEU A 16 69.751 5.617 -10.872 1.00 0.00 C ATOM 0 H LEU A 16 69.655 4.748 -13.981 1.00 0.00 H new ATOM 0 HA LEU A 16 68.135 7.159 -14.486 1.00 0.00 H new ATOM 0 HB2 LEU A 16 69.326 8.445 -12.680 1.00 0.00 H new ATOM 0 HB3 LEU A 16 68.209 7.259 -12.035 1.00 0.00 H new ATOM 0 HG LEU A 16 71.001 6.265 -12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 16 71.853 7.278 -10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 16 71.448 8.529 -11.602 1.00 0.00 H new ATOM 0 HD13 LEU A 16 70.344 8.207 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 16 70.571 5.153 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 16 69.048 6.061 -10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 16 69.239 4.861 -11.467 1.00 0.00 H new ATOM 256 N SER A 17 70.222 8.230 -15.455 1.00 0.00 N ATOM 257 CA SER A 17 71.348 8.668 -16.271 1.00 0.00 C ATOM 258 C SER A 17 72.438 9.287 -15.397 1.00 0.00 C ATOM 259 O SER A 17 72.220 9.559 -14.220 1.00 0.00 O ATOM 260 CB SER A 17 70.866 9.696 -17.294 1.00 0.00 C ATOM 261 OG SER A 17 70.896 10.990 -16.710 1.00 0.00 O ATOM 0 H SER A 17 69.434 8.877 -15.438 1.00 0.00 H new ATOM 0 HA SER A 17 71.765 7.802 -16.786 1.00 0.00 H new ATOM 0 HB2 SER A 17 71.501 9.670 -18.180 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.854 9.455 -17.620 1.00 0.00 H new ATOM 0 HG SER A 17 70.589 11.652 -17.365 1.00 0.00 H new ATOM 267 N GLU A 18 73.612 9.502 -15.976 1.00 0.00 N ATOM 268 CA GLU A 18 74.720 10.087 -15.227 1.00 0.00 C ATOM 269 C GLU A 18 74.385 11.520 -14.805 1.00 0.00 C ATOM 270 O GLU A 18 73.774 12.274 -15.562 1.00 0.00 O ATOM 271 CB GLU A 18 75.989 10.095 -16.080 1.00 0.00 C ATOM 272 CG GLU A 18 77.177 10.524 -15.215 1.00 0.00 C ATOM 273 CD GLU A 18 78.462 10.508 -16.035 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.370 10.358 -17.242 1.00 0.00 O ATOM 275 OE2 GLU A 18 79.519 10.656 -15.445 1.00 0.00 O1- ATOM 0 H GLU A 18 73.822 9.284 -16.950 1.00 0.00 H new ATOM 0 HA GLU A 18 74.886 9.481 -14.336 1.00 0.00 H new ATOM 0 HB2 GLU A 18 76.167 9.104 -16.497 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.871 10.778 -16.921 1.00 0.00 H new ATOM 0 HG2 GLU A 18 77.004 11.524 -14.818 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.274 9.854 -14.361 1.00 0.00 H new ATOM 282 N GLY A 19 74.799 11.892 -13.595 1.00 0.00 N ATOM 283 CA GLY A 19 74.548 13.239 -13.086 1.00 0.00 C ATOM 284 C GLY A 19 73.140 13.373 -12.517 1.00 0.00 C ATOM 285 O GLY A 19 72.700 14.472 -12.178 1.00 0.00 O ATOM 0 H GLY A 19 75.307 11.284 -12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.278 13.477 -12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.687 13.963 -13.889 1.00 0.00 H new ATOM 289 N GLN A 20 72.435 12.249 -12.410 1.00 0.00 N ATOM 290 CA GLN A 20 71.076 12.248 -11.875 1.00 0.00 C ATOM 291 C GLN A 20 71.095 11.889 -10.394 1.00 0.00 C ATOM 292 O GLN A 20 72.049 11.285 -9.903 1.00 0.00 O ATOM 293 CB GLN A 20 70.230 11.233 -12.643 1.00 0.00 C ATOM 294 CG GLN A 20 70.074 11.697 -14.096 1.00 0.00 C ATOM 295 CD GLN A 20 69.235 12.972 -14.147 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.074 12.969 -13.736 1.00 0.00 O ATOM 297 NE2 GLN A 20 69.757 14.072 -14.614 1.00 0.00 N ATOM 0 H GLN A 20 72.781 11.330 -12.686 1.00 0.00 H new ATOM 0 HA GLN A 20 70.645 13.243 -11.989 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.702 10.251 -12.612 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.251 11.131 -12.175 1.00 0.00 H new ATOM 0 HG2 GLN A 20 71.054 11.879 -14.536 1.00 0.00 H new ATOM 0 HG3 GLN A 20 69.599 10.915 -14.688 1.00 0.00 H new ATOM 0 HE21 GLN A 20 70.718 14.076 -14.955 1.00 0.00 H new ATOM 0 HE22 GLN A 20 69.204 14.929 -14.639 1.00 0.00 H new ATOM 306 N ASP A 21 70.039 12.264 -9.683 1.00 0.00 N ATOM 307 CA ASP A 21 69.945 11.972 -8.257 1.00 0.00 C ATOM 308 C ASP A 21 69.359 10.581 -8.046 1.00 0.00 C ATOM 309 O ASP A 21 68.832 9.972 -8.976 1.00 0.00 O ATOM 310 CB ASP A 21 69.067 13.014 -7.558 1.00 0.00 C ATOM 311 CG ASP A 21 69.806 14.347 -7.455 1.00 0.00 C ATOM 312 OD1 ASP A 21 71.015 14.349 -7.624 1.00 0.00 O ATOM 313 OD2 ASP A 21 69.152 15.348 -7.208 1.00 0.00 O1- ATOM 0 H ASP A 21 69.240 12.768 -10.067 1.00 0.00 H new ATOM 0 HA ASP A 21 70.946 12.008 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 21 68.138 13.147 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 21 68.796 12.663 -6.562 1.00 0.00 H new ATOM 318 N ALA A 22 69.453 10.085 -6.820 1.00 0.00 N ATOM 319 CA ALA A 22 68.922 8.767 -6.495 1.00 0.00 C ATOM 320 C ALA A 22 68.746 8.635 -4.982 1.00 0.00 C ATOM 321 O ALA A 22 69.390 9.347 -4.212 1.00 0.00 O ATOM 322 CB ALA A 22 69.864 7.675 -7.027 1.00 0.00 C ATOM 0 H ALA A 22 69.890 10.572 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 22 67.948 8.646 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 22 69.460 6.693 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 22 69.954 7.768 -8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 22 70.847 7.788 -6.570 1.00 0.00 H new ATOM 328 N SER A 23 67.870 7.732 -4.559 1.00 0.00 N ATOM 329 CA SER A 23 67.624 7.525 -3.132 1.00 0.00 C ATOM 330 C SER A 23 66.900 6.199 -2.910 1.00 0.00 C ATOM 331 O SER A 23 66.274 5.669 -3.827 1.00 0.00 O ATOM 332 CB SER A 23 66.780 8.673 -2.574 1.00 0.00 C ATOM 333 OG SER A 23 67.532 9.878 -2.629 1.00 0.00 O ATOM 0 H SER A 23 67.320 7.134 -5.176 1.00 0.00 H new ATOM 0 HA SER A 23 68.582 7.499 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 23 65.861 8.778 -3.151 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.489 8.459 -1.546 1.00 0.00 H new ATOM 0 HG SER A 23 68.483 9.666 -2.738 1.00 0.00 H new ATOM 339 N PHE A 24 66.975 5.666 -1.688 1.00 0.00 N ATOM 340 CA PHE A 24 66.302 4.400 -1.371 1.00 0.00 C ATOM 341 C PHE A 24 65.450 4.545 -0.118 1.00 0.00 C ATOM 342 O PHE A 24 65.786 5.304 0.798 1.00 0.00 O ATOM 343 CB PHE A 24 67.318 3.286 -1.127 1.00 0.00 C ATOM 344 CG PHE A 24 68.172 3.061 -2.351 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.518 3.446 -2.348 1.00 0.00 C ATOM 346 CD2 PHE A 24 67.624 2.438 -3.480 1.00 0.00 C ATOM 347 CE1 PHE A 24 70.316 3.209 -3.473 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.421 2.206 -4.607 1.00 0.00 C ATOM 349 CZ PHE A 24 69.766 2.588 -4.602 1.00 0.00 C ATOM 0 H PHE A 24 67.487 6.083 -0.910 1.00 0.00 H new ATOM 0 HA PHE A 24 65.674 4.146 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 24 67.952 3.545 -0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 24 66.798 2.364 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 24 69.941 3.926 -1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.587 2.137 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 24 71.355 3.505 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 24 67.997 1.732 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 24 70.382 2.404 -5.470 1.00 0.00 H new ATOM 359 N GLN A 25 64.347 3.800 -0.086 1.00 0.00 N ATOM 360 CA GLN A 25 63.425 3.823 1.047 1.00 0.00 C ATOM 361 C GLN A 25 63.233 2.408 1.589 1.00 0.00 C ATOM 362 O GLN A 25 62.880 1.491 0.847 1.00 0.00 O ATOM 363 CB GLN A 25 62.076 4.380 0.584 1.00 0.00 C ATOM 364 CG GLN A 25 62.302 5.620 -0.289 1.00 0.00 C ATOM 365 CD GLN A 25 63.159 6.644 0.448 1.00 0.00 C ATOM 366 OE1 GLN A 25 62.931 6.912 1.627 1.00 0.00 O ATOM 367 NE2 GLN A 25 64.136 7.239 -0.184 1.00 0.00 N ATOM 0 H GLN A 25 64.069 3.169 -0.837 1.00 0.00 H new ATOM 0 HA GLN A 25 63.835 4.454 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.532 3.621 0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.462 4.638 1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 25 62.790 5.332 -1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.343 6.064 -0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 25 64.323 7.015 -1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 25 64.712 7.928 0.300 1.00 0.00 H new ATOM 376 N CYS A 26 63.469 2.232 2.890 1.00 0.00 N ATOM 377 CA CYS A 26 63.317 0.919 3.523 1.00 0.00 C ATOM 378 C CYS A 26 62.626 1.049 4.871 1.00 0.00 C ATOM 379 O CYS A 26 62.801 2.037 5.584 1.00 0.00 O ATOM 380 CB CYS A 26 64.682 0.251 3.717 1.00 0.00 C ATOM 381 SG CYS A 26 64.442 -1.530 3.940 1.00 0.00 S ATOM 0 H CYS A 26 63.764 2.975 3.523 1.00 0.00 H new ATOM 0 HA CYS A 26 62.706 0.302 2.865 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.319 0.440 2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.188 0.674 4.585 1.00 0.00 H new ATOM 0 HG CYS A 26 65.596 -2.106 4.103 1.00 0.00 H new ATOM 387 N ARG A 27 61.833 0.040 5.209 1.00 0.00 N ATOM 388 CA ARG A 27 61.100 0.027 6.470 1.00 0.00 C ATOM 389 C ARG A 27 61.398 -1.254 7.240 1.00 0.00 C ATOM 390 O ARG A 27 60.833 -2.304 6.935 1.00 0.00 O ATOM 391 CB ARG A 27 59.609 0.100 6.164 1.00 0.00 C ATOM 392 CG ARG A 27 59.311 1.412 5.439 1.00 0.00 C ATOM 393 CD ARG A 27 57.846 1.432 5.009 1.00 0.00 C ATOM 394 NE ARG A 27 56.986 1.390 6.181 1.00 0.00 N ATOM 395 CZ ARG A 27 55.671 1.264 6.065 1.00 0.00 C ATOM 396 NH1 ARG A 27 54.897 1.597 7.061 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.155 0.801 4.960 1.00 0.00 N ATOM 0 H ARG A 27 61.680 -0.783 4.626 1.00 0.00 H new ATOM 0 HA ARG A 27 61.405 0.878 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.310 -0.747 5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.032 0.041 7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.521 2.258 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.959 1.514 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.641 2.331 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.636 0.580 4.362 1.00 0.00 H new ATOM 0 HE ARG A 27 57.402 1.459 7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 27 55.304 1.953 7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 27 53.885 1.501 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.763 0.536 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.144 0.704 4.871 1.00 0.00 H new ATOM 411 N LEU A 28 62.290 -1.176 8.239 1.00 0.00 N ATOM 412 CA LEU A 28 62.640 -2.364 9.030 1.00 0.00 C ATOM 413 C LEU A 28 62.351 -2.148 10.505 1.00 0.00 C ATOM 414 O LEU A 28 63.049 -1.394 11.165 1.00 0.00 O ATOM 415 CB LEU A 28 64.126 -2.702 8.853 1.00 0.00 C ATOM 416 CG LEU A 28 64.433 -3.015 7.379 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.924 -3.326 7.227 1.00 0.00 C ATOM 418 CD2 LEU A 28 63.603 -4.224 6.907 1.00 0.00 C ATOM 0 H LEU A 28 62.773 -0.321 8.514 1.00 0.00 H new ATOM 0 HA LEU A 28 62.028 -3.191 8.670 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.738 -1.865 9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.387 -3.558 9.475 1.00 0.00 H new ATOM 0 HG LEU A 28 64.173 -2.150 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.145 -3.548 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.510 -2.464 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.181 -4.187 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.830 -4.435 5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 28 63.850 -5.094 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.541 -3.999 7.010 1.00 0.00 H new ATOM 430 N SER A 29 61.339 -2.844 11.030 1.00 0.00 N ATOM 431 CA SER A 29 61.021 -2.716 12.450 1.00 0.00 C ATOM 432 C SER A 29 62.131 -3.359 13.249 1.00 0.00 C ATOM 433 O SER A 29 63.026 -3.969 12.669 1.00 0.00 O ATOM 434 CB SER A 29 59.681 -3.357 12.811 1.00 0.00 C ATOM 435 OG SER A 29 59.495 -3.281 14.219 1.00 0.00 O ATOM 0 H SER A 29 60.741 -3.485 10.508 1.00 0.00 H new ATOM 0 HA SER A 29 60.935 -1.655 12.686 1.00 0.00 H new ATOM 0 HB2 SER A 29 58.868 -2.845 12.296 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.661 -4.397 12.484 1.00 0.00 H new ATOM 0 HG SER A 29 58.637 -3.689 14.458 1.00 0.00 H new ATOM 441 N ARG A 30 62.074 -3.204 14.566 1.00 0.00 N ATOM 442 CA ARG A 30 63.116 -3.723 15.442 1.00 0.00 C ATOM 443 C ARG A 30 63.448 -5.184 15.172 1.00 0.00 C ATOM 444 O ARG A 30 62.623 -5.964 14.697 1.00 0.00 O ATOM 445 CB ARG A 30 62.678 -3.566 16.893 1.00 0.00 C ATOM 446 CG ARG A 30 61.354 -4.297 17.117 1.00 0.00 C ATOM 447 CD ARG A 30 61.020 -4.265 18.603 1.00 0.00 C ATOM 448 NE ARG A 30 60.810 -2.887 19.040 1.00 0.00 N ATOM 449 CZ ARG A 30 59.606 -2.330 18.993 1.00 0.00 C ATOM 450 NH1 ARG A 30 58.680 -2.868 18.251 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 59.354 -1.253 19.683 1.00 0.00 N ATOM 0 H ARG A 30 61.317 -2.723 15.051 1.00 0.00 H new ATOM 0 HA ARG A 30 64.019 -3.147 15.242 1.00 0.00 H new ATOM 0 HB2 ARG A 30 63.442 -3.967 17.558 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.566 -2.509 17.136 1.00 0.00 H new ATOM 0 HG2 ARG A 30 60.559 -3.823 16.541 1.00 0.00 H new ATOM 0 HG3 ARG A 30 61.428 -5.327 16.769 1.00 0.00 H new ATOM 0 HD2 ARG A 30 60.125 -4.856 18.795 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.830 -4.717 19.176 1.00 0.00 H new ATOM 0 HE ARG A 30 61.601 -2.344 19.387 1.00 0.00 H new ATOM 0 HH11 ARG A 30 58.883 -3.710 17.713 1.00 0.00 H new ATOM 0 HH12 ARG A 30 57.752 -2.447 18.209 1.00 0.00 H new ATOM 0 HH21 ARG A 30 60.083 -0.836 20.261 1.00 0.00 H new ATOM 0 HH22 ARG A 30 58.428 -0.828 19.644 1.00 0.00 H new ATOM 465 N ALA A 31 64.700 -5.513 15.467 1.00 0.00 N ATOM 466 CA ALA A 31 65.231 -6.847 15.254 1.00 0.00 C ATOM 467 C ALA A 31 64.542 -7.887 16.127 1.00 0.00 C ATOM 468 O ALA A 31 63.931 -7.570 17.147 1.00 0.00 O ATOM 469 CB ALA A 31 66.730 -6.848 15.559 1.00 0.00 C ATOM 0 H ALA A 31 65.375 -4.858 15.862 1.00 0.00 H new ATOM 0 HA ALA A 31 65.048 -7.113 14.213 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.133 -7.848 15.400 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.236 -6.144 14.899 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.891 -6.553 16.596 1.00 0.00 H new ATOM 475 N SER A 32 64.668 -9.140 15.706 1.00 0.00 N ATOM 476 CA SER A 32 64.091 -10.268 16.426 1.00 0.00 C ATOM 477 C SER A 32 65.093 -11.411 16.422 1.00 0.00 C ATOM 478 O SER A 32 65.862 -11.580 17.368 1.00 0.00 O ATOM 479 CB SER A 32 62.794 -10.711 15.750 1.00 0.00 C ATOM 480 OG SER A 32 61.757 -9.798 16.079 1.00 0.00 O ATOM 0 H SER A 32 65.172 -9.402 14.858 1.00 0.00 H new ATOM 0 HA SER A 32 63.866 -9.976 17.452 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.929 -10.751 14.669 1.00 0.00 H new ATOM 0 HB3 SER A 32 62.526 -11.716 16.075 1.00 0.00 H new ATOM 0 HG SER A 32 60.897 -10.268 16.084 1.00 0.00 H new ATOM 486 N GLY A 33 65.105 -12.174 15.334 1.00 0.00 N ATOM 487 CA GLY A 33 66.046 -13.272 15.210 1.00 0.00 C ATOM 488 C GLY A 33 67.456 -12.713 15.147 1.00 0.00 C ATOM 489 O GLY A 33 68.129 -12.586 16.169 1.00 0.00 O ATOM 0 H GLY A 33 64.481 -12.052 14.537 1.00 0.00 H new ATOM 0 HA2 GLY A 33 65.948 -13.949 16.058 1.00 0.00 H new ATOM 0 HA3 GLY A 33 65.831 -13.852 14.313 1.00 0.00 H new ATOM 493 N GLN A 34 67.888 -12.352 13.939 1.00 0.00 N ATOM 494 CA GLN A 34 69.215 -11.772 13.740 1.00 0.00 C ATOM 495 C GLN A 34 69.099 -10.417 13.058 1.00 0.00 C ATOM 496 O GLN A 34 68.117 -10.127 12.374 1.00 0.00 O ATOM 497 CB GLN A 34 70.090 -12.706 12.906 1.00 0.00 C ATOM 498 CG GLN A 34 70.375 -13.970 13.716 1.00 0.00 C ATOM 499 CD GLN A 34 71.252 -14.925 12.919 1.00 0.00 C ATOM 500 OE1 GLN A 34 71.131 -15.013 11.697 1.00 0.00 O ATOM 501 NE2 GLN A 34 72.132 -15.656 13.546 1.00 0.00 N ATOM 0 H GLN A 34 67.339 -12.451 13.085 1.00 0.00 H new ATOM 0 HA GLN A 34 69.682 -11.638 14.716 1.00 0.00 H new ATOM 0 HB2 GLN A 34 69.587 -12.961 11.973 1.00 0.00 H new ATOM 0 HB3 GLN A 34 71.023 -12.210 12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 34 70.870 -13.707 14.651 1.00 0.00 H new ATOM 0 HG3 GLN A 34 69.438 -14.460 13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 34 72.229 -15.580 14.559 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.723 -16.303 13.024 1.00 0.00 H new ATOM 510 N GLU A 35 70.111 -9.592 13.267 1.00 0.00 N ATOM 511 CA GLU A 35 70.146 -8.256 12.693 1.00 0.00 C ATOM 512 C GLU A 35 70.417 -8.306 11.195 1.00 0.00 C ATOM 513 O GLU A 35 71.046 -9.240 10.700 1.00 0.00 O ATOM 514 CB GLU A 35 71.248 -7.457 13.379 1.00 0.00 C ATOM 515 CG GLU A 35 71.253 -6.025 12.850 1.00 0.00 C ATOM 516 CD GLU A 35 72.221 -5.185 13.675 1.00 0.00 C ATOM 517 OE1 GLU A 35 72.614 -4.129 13.207 1.00 0.00 O ATOM 518 OE2 GLU A 35 72.546 -5.607 14.772 1.00 0.00 O1- ATOM 0 H GLU A 35 70.926 -9.826 13.834 1.00 0.00 H new ATOM 0 HA GLU A 35 69.176 -7.783 12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.091 -7.456 14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.216 -7.925 13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.548 -6.014 11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 35 70.250 -5.602 12.904 1.00 0.00 H new ATOM 525 N ALA A 36 69.952 -7.286 10.475 1.00 0.00 N ATOM 526 CA ALA A 36 70.168 -7.219 9.033 1.00 0.00 C ATOM 527 C ALA A 36 71.487 -6.511 8.733 1.00 0.00 C ATOM 528 O ALA A 36 71.863 -5.565 9.422 1.00 0.00 O ATOM 529 CB ALA A 36 69.024 -6.456 8.363 1.00 0.00 C ATOM 0 H ALA A 36 69.428 -6.502 10.863 1.00 0.00 H new ATOM 0 HA ALA A 36 70.203 -8.235 8.641 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.196 -6.413 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.082 -6.967 8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.978 -5.444 8.764 1.00 0.00 H new ATOM 535 N ARG A 37 72.185 -6.976 7.695 1.00 0.00 N ATOM 536 CA ARG A 37 73.465 -6.382 7.296 1.00 0.00 C ATOM 537 C ARG A 37 73.310 -5.603 5.998 1.00 0.00 C ATOM 538 O ARG A 37 72.595 -6.028 5.087 1.00 0.00 O ATOM 539 CB ARG A 37 74.518 -7.478 7.097 1.00 0.00 C ATOM 540 CG ARG A 37 74.939 -8.047 8.452 1.00 0.00 C ATOM 541 CD ARG A 37 75.906 -9.209 8.226 1.00 0.00 C ATOM 542 NE ARG A 37 76.308 -9.797 9.497 1.00 0.00 N ATOM 543 CZ ARG A 37 77.076 -10.879 9.533 1.00 0.00 C ATOM 544 NH1 ARG A 37 77.439 -11.452 8.418 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 77.465 -11.371 10.676 1.00 0.00 N ATOM 0 H ARG A 37 71.887 -7.761 7.116 1.00 0.00 H new ATOM 0 HA ARG A 37 73.786 -5.705 8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.115 -8.272 6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.386 -7.071 6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 37 75.415 -7.273 9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.064 -8.388 9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.432 -9.967 7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 37 76.786 -8.857 7.687 1.00 0.00 H new ATOM 0 HE ARG A 37 75.995 -9.372 10.370 1.00 0.00 H new ATOM 0 HH11 ARG A 37 77.133 -11.068 7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 37 78.029 -12.284 8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 37 77.179 -10.924 11.547 1.00 0.00 H new ATOM 0 HH22 ARG A 37 78.055 -12.203 10.699 1.00 0.00 H new ATOM 559 N TRP A 38 74.000 -4.468 5.917 1.00 0.00 N ATOM 560 CA TRP A 38 73.966 -3.620 4.727 1.00 0.00 C ATOM 561 C TRP A 38 75.335 -3.682 4.053 1.00 0.00 C ATOM 562 O TRP A 38 76.359 -3.685 4.734 1.00 0.00 O ATOM 563 CB TRP A 38 73.629 -2.174 5.144 1.00 0.00 C ATOM 564 CG TRP A 38 72.930 -1.455 4.031 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.549 -0.744 3.066 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.500 -1.359 3.759 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.593 -0.215 2.217 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.315 -0.566 2.602 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.355 -1.875 4.396 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.044 -0.293 2.095 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.072 -1.603 3.888 1.00 0.00 C ATOM 572 CH2 TRP A 38 68.919 -0.812 2.738 1.00 0.00 C ATOM 0 H TRP A 38 74.593 -4.112 6.666 1.00 0.00 H new ATOM 0 HA TRP A 38 73.204 -3.964 4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 38 72.997 -2.184 6.032 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.543 -1.644 5.409 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.616 -0.610 2.972 1.00 0.00 H new ATOM 0 HE1 TRP A 38 72.807 0.364 1.405 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.463 -2.484 5.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 69.931 0.316 1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.201 -2.004 4.385 1.00 0.00 H new ATOM 0 HH2 TRP A 38 67.932 -0.605 2.351 1.00 0.00 H new ATOM 583 N ALA A 39 75.367 -3.757 2.726 1.00 0.00 N ATOM 584 CA ALA A 39 76.652 -3.843 2.044 1.00 0.00 C ATOM 585 C ALA A 39 76.520 -3.565 0.558 1.00 0.00 C ATOM 586 O ALA A 39 75.455 -3.740 -0.030 1.00 0.00 O ATOM 587 CB ALA A 39 77.250 -5.234 2.246 1.00 0.00 C ATOM 0 H ALA A 39 74.547 -3.760 2.119 1.00 0.00 H new ATOM 0 HA ALA A 39 77.307 -3.085 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 39 78.211 -5.295 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 39 77.393 -5.417 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.573 -5.984 1.837 1.00 0.00 H new ATOM 593 N LEU A 40 77.629 -3.134 -0.040 1.00 0.00 N ATOM 594 CA LEU A 40 77.673 -2.829 -1.468 1.00 0.00 C ATOM 595 C LEU A 40 78.883 -3.501 -2.106 1.00 0.00 C ATOM 596 O LEU A 40 80.020 -3.275 -1.694 1.00 0.00 O ATOM 597 CB LEU A 40 77.758 -1.309 -1.661 1.00 0.00 C ATOM 598 CG LEU A 40 77.586 -0.941 -3.149 1.00 0.00 C ATOM 599 CD1 LEU A 40 77.295 0.560 -3.263 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.860 -1.283 -3.959 1.00 0.00 C ATOM 0 H LEU A 40 78.514 -2.988 0.446 1.00 0.00 H new ATOM 0 HA LEU A 40 76.769 -3.205 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.987 -0.818 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.719 -0.944 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 40 76.757 -1.519 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.172 0.828 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 40 76.380 0.796 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 40 78.125 1.125 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.710 -1.013 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 40 79.707 -0.726 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.062 -2.352 -3.886 1.00 0.00 H new ATOM 612 N GLY A 41 78.632 -4.317 -3.129 1.00 0.00 N ATOM 613 CA GLY A 41 79.712 -5.005 -3.834 1.00 0.00 C ATOM 614 C GLY A 41 80.138 -6.277 -3.111 1.00 0.00 C ATOM 615 O GLY A 41 81.110 -6.924 -3.500 1.00 0.00 O ATOM 0 H GLY A 41 77.698 -4.517 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.387 -5.253 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.568 -4.337 -3.929 1.00 0.00 H new ATOM 619 N GLY A 42 79.406 -6.635 -2.059 1.00 0.00 N ATOM 620 CA GLY A 42 79.712 -7.838 -1.278 1.00 0.00 C ATOM 621 C GLY A 42 80.423 -7.477 0.022 1.00 0.00 C ATOM 622 O GLY A 42 80.439 -8.258 0.973 1.00 0.00 O ATOM 0 H GLY A 42 78.597 -6.112 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.791 -8.376 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.339 -8.508 -1.866 1.00 0.00 H new ATOM 626 N VAL A 43 81.012 -6.282 0.052 1.00 0.00 N ATOM 627 CA VAL A 43 81.732 -5.798 1.235 1.00 0.00 C ATOM 628 C VAL A 43 80.946 -4.665 1.903 1.00 0.00 C ATOM 629 O VAL A 43 80.221 -3.938 1.225 1.00 0.00 O ATOM 630 CB VAL A 43 83.098 -5.264 0.805 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.997 -6.423 0.375 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.907 -4.305 -0.373 1.00 0.00 C ATOM 0 H VAL A 43 81.006 -5.628 -0.731 1.00 0.00 H new ATOM 0 HA VAL A 43 81.851 -6.620 1.941 1.00 0.00 H new ATOM 0 HB VAL A 43 83.565 -4.742 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.969 -6.036 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.127 -7.112 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.537 -6.949 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.876 -3.918 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.441 -4.836 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.267 -3.477 -0.068 1.00 0.00 H new ATOM 642 N PRO A 44 81.072 -4.476 3.199 1.00 0.00 N ATOM 643 CA PRO A 44 80.343 -3.376 3.886 1.00 0.00 C ATOM 644 C PRO A 44 80.680 -2.015 3.259 1.00 0.00 C ATOM 645 O PRO A 44 81.823 -1.762 2.876 1.00 0.00 O ATOM 646 CB PRO A 44 80.803 -3.438 5.364 1.00 0.00 C ATOM 647 CG PRO A 44 81.775 -4.589 5.490 1.00 0.00 C ATOM 648 CD PRO A 44 81.886 -5.286 4.121 1.00 0.00 C ATOM 0 HA PRO A 44 79.263 -3.491 3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.278 -2.502 5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.949 -3.583 6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.752 -4.227 5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.432 -5.294 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.923 -5.335 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.518 -6.311 4.172 1.00 0.00 H new ATOM 656 N LEU A 45 79.671 -1.151 3.160 1.00 0.00 N ATOM 657 CA LEU A 45 79.850 0.185 2.579 1.00 0.00 C ATOM 658 C LEU A 45 80.158 1.219 3.660 1.00 0.00 C ATOM 659 O LEU A 45 80.381 0.876 4.821 1.00 0.00 O ATOM 660 CB LEU A 45 78.599 0.589 1.780 1.00 0.00 C ATOM 661 CG LEU A 45 77.476 1.102 2.694 1.00 0.00 C ATOM 662 CD1 LEU A 45 76.223 1.318 1.848 1.00 0.00 C ATOM 663 CD2 LEU A 45 77.166 0.069 3.783 1.00 0.00 C ATOM 0 H LEU A 45 78.721 -1.349 3.473 1.00 0.00 H new ATOM 0 HA LEU A 45 80.702 0.151 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.863 1.363 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.240 -0.268 1.210 1.00 0.00 H new ATOM 0 HG LEU A 45 77.790 2.033 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.415 1.683 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 45 76.432 2.051 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 45 75.927 0.375 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.368 0.444 4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.849 -0.865 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 45 78.060 -0.108 4.381 1.00 0.00 H new ATOM 675 N GLN A 46 80.185 2.490 3.263 1.00 0.00 N ATOM 676 CA GLN A 46 80.485 3.575 4.196 1.00 0.00 C ATOM 677 C GLN A 46 79.675 4.815 3.841 1.00 0.00 C ATOM 678 O GLN A 46 79.269 4.996 2.692 1.00 0.00 O ATOM 679 CB GLN A 46 81.985 3.894 4.120 1.00 0.00 C ATOM 680 CG GLN A 46 82.402 4.837 5.256 1.00 0.00 C ATOM 681 CD GLN A 46 82.269 4.129 6.601 1.00 0.00 C ATOM 682 OE1 GLN A 46 82.538 2.931 6.701 1.00 0.00 O ATOM 683 NE2 GLN A 46 81.881 4.802 7.649 1.00 0.00 N ATOM 0 H GLN A 46 80.004 2.793 2.306 1.00 0.00 H new ATOM 0 HA GLN A 46 80.221 3.267 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.561 2.970 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.215 4.352 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 46 83.431 5.164 5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 46 81.779 5.731 5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 46 81.659 5.794 7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 46 81.800 4.336 8.553 1.00 0.00 H new ATOM 692 N ALA A 47 79.454 5.668 4.828 1.00 0.00 N ATOM 693 CA ALA A 47 78.705 6.892 4.606 1.00 0.00 C ATOM 694 C ALA A 47 79.577 7.897 3.863 1.00 0.00 C ATOM 695 O ALA A 47 79.905 8.961 4.385 1.00 0.00 O ATOM 696 CB ALA A 47 78.257 7.476 5.946 1.00 0.00 C ATOM 0 H ALA A 47 79.781 5.536 5.785 1.00 0.00 H new ATOM 0 HA ALA A 47 77.823 6.672 4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.696 8.394 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.624 6.755 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.132 7.695 6.558 1.00 0.00 H new ATOM 702 N ASN A 48 79.951 7.538 2.638 1.00 0.00 N ATOM 703 CA ASN A 48 80.788 8.399 1.814 1.00 0.00 C ATOM 704 C ASN A 48 80.039 9.675 1.461 1.00 0.00 C ATOM 705 O ASN A 48 78.865 9.832 1.796 1.00 0.00 O ATOM 706 CB ASN A 48 81.193 7.665 0.532 1.00 0.00 C ATOM 707 CG ASN A 48 82.296 8.432 -0.196 1.00 0.00 C ATOM 708 OD1 ASN A 48 82.026 9.133 -1.171 1.00 0.00 O ATOM 709 ND2 ASN A 48 83.532 8.333 0.216 1.00 0.00 N ATOM 0 H ASN A 48 79.687 6.657 2.196 1.00 0.00 H new ATOM 0 HA ASN A 48 81.685 8.658 2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.539 6.660 0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.327 7.555 -0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 48 84.274 8.837 -0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 48 83.755 7.752 1.024 1.00 0.00 H new ATOM 716 N GLU A 49 80.718 10.584 0.784 1.00 0.00 N ATOM 717 CA GLU A 49 80.090 11.835 0.396 1.00 0.00 C ATOM 718 C GLU A 49 78.981 11.561 -0.611 1.00 0.00 C ATOM 719 O GLU A 49 77.914 12.172 -0.558 1.00 0.00 O ATOM 720 CB GLU A 49 81.129 12.772 -0.217 1.00 0.00 C ATOM 721 CG GLU A 49 82.139 13.183 0.856 1.00 0.00 C ATOM 722 CD GLU A 49 83.221 14.063 0.243 1.00 0.00 C ATOM 723 OE1 GLU A 49 84.058 14.546 0.989 1.00 0.00 O ATOM 724 OE2 GLU A 49 83.205 14.233 -0.965 1.00 0.00 O1- ATOM 0 H GLU A 49 81.691 10.483 0.495 1.00 0.00 H new ATOM 0 HA GLU A 49 79.663 12.310 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 49 81.640 12.276 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 49 80.640 13.655 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 49 81.632 13.721 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.589 12.296 1.302 1.00 0.00 H new ATOM 731 N MET A 50 79.240 10.632 -1.523 1.00 0.00 N ATOM 732 CA MET A 50 78.257 10.275 -2.538 1.00 0.00 C ATOM 733 C MET A 50 77.049 9.580 -1.915 1.00 0.00 C ATOM 734 O MET A 50 75.912 9.813 -2.327 1.00 0.00 O ATOM 735 CB MET A 50 78.890 9.358 -3.581 1.00 0.00 C ATOM 736 CG MET A 50 79.922 10.147 -4.388 1.00 0.00 C ATOM 737 SD MET A 50 80.643 9.085 -5.667 1.00 0.00 S ATOM 738 CE MET A 50 81.743 8.123 -4.597 1.00 0.00 C ATOM 0 H MET A 50 80.117 10.115 -1.581 1.00 0.00 H new ATOM 0 HA MET A 50 77.919 11.195 -3.016 1.00 0.00 H new ATOM 0 HB2 MET A 50 79.366 8.507 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 50 78.123 8.957 -4.243 1.00 0.00 H new ATOM 0 HG2 MET A 50 79.451 11.016 -4.847 1.00 0.00 H new ATOM 0 HG3 MET A 50 80.705 10.520 -3.728 1.00 0.00 H new ATOM 0 HE1 MET A 50 82.495 7.621 -5.206 1.00 0.00 H new ATOM 0 HE2 MET A 50 82.235 8.789 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 50 81.162 7.379 -4.053 1.00 0.00 H new ATOM 748 N ASN A 51 77.298 8.716 -0.927 1.00 0.00 N ATOM 749 CA ASN A 51 76.216 7.980 -0.255 1.00 0.00 C ATOM 750 C ASN A 51 76.274 8.178 1.254 1.00 0.00 C ATOM 751 O ASN A 51 77.332 8.050 1.871 1.00 0.00 O ATOM 752 CB ASN A 51 76.303 6.490 -0.592 1.00 0.00 C ATOM 753 CG ASN A 51 75.028 5.782 -0.147 1.00 0.00 C ATOM 754 OD1 ASN A 51 74.005 6.431 0.071 1.00 0.00 O ATOM 755 ND2 ASN A 51 75.024 4.486 -0.004 1.00 0.00 N ATOM 0 H ASN A 51 78.232 8.508 -0.574 1.00 0.00 H new ATOM 0 HA ASN A 51 75.265 8.373 -0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 51 76.447 6.359 -1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 51 77.167 6.046 -0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 51 74.172 4.008 0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 51 75.873 3.950 -0.185 1.00 0.00 H new ATOM 762 N ASP A 52 75.119 8.497 1.841 1.00 0.00 N ATOM 763 CA ASP A 52 75.016 8.726 3.281 1.00 0.00 C ATOM 764 C ASP A 52 74.041 7.746 3.908 1.00 0.00 C ATOM 765 O ASP A 52 72.994 7.440 3.335 1.00 0.00 O ATOM 766 CB ASP A 52 74.530 10.150 3.549 1.00 0.00 C ATOM 767 CG ASP A 52 75.609 11.157 3.176 1.00 0.00 C ATOM 768 OD1 ASP A 52 75.285 12.328 3.067 1.00 0.00 O ATOM 769 OD2 ASP A 52 76.743 10.743 3.007 1.00 0.00 O1- ATOM 0 H ASP A 52 74.238 8.603 1.337 1.00 0.00 H new ATOM 0 HA ASP A 52 76.003 8.582 3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.625 10.347 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.269 10.260 4.602 1.00 0.00 H new ATOM 774 N ILE A 53 74.392 7.262 5.094 1.00 0.00 N ATOM 775 CA ILE A 53 73.549 6.315 5.824 1.00 0.00 C ATOM 776 C ILE A 53 72.969 6.998 7.058 1.00 0.00 C ATOM 777 O ILE A 53 73.711 7.571 7.856 1.00 0.00 O ATOM 778 CB ILE A 53 74.383 5.103 6.266 1.00 0.00 C ATOM 779 CG1 ILE A 53 75.333 4.676 5.139 1.00 0.00 C ATOM 780 CG2 ILE A 53 73.456 3.941 6.625 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.549 4.346 3.866 1.00 0.00 C ATOM 0 H ILE A 53 75.257 7.509 5.574 1.00 0.00 H new ATOM 0 HA ILE A 53 72.743 5.981 5.171 1.00 0.00 H new ATOM 0 HB ILE A 53 74.972 5.380 7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 53 76.046 5.475 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.910 3.806 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 53 74.052 3.084 6.938 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.796 4.240 7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.859 3.670 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.242 4.046 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 53 73.854 3.531 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 53 73.993 5.226 3.543 1.00 0.00 H new ATOM 793 N THR A 54 71.647 6.941 7.223 1.00 0.00 N ATOM 794 CA THR A 54 71.013 7.566 8.387 1.00 0.00 C ATOM 795 C THR A 54 69.800 6.770 8.855 1.00 0.00 C ATOM 796 O THR A 54 69.191 6.028 8.085 1.00 0.00 O ATOM 797 CB THR A 54 70.583 9.002 8.059 1.00 0.00 C ATOM 798 OG1 THR A 54 69.888 9.543 9.174 1.00 0.00 O ATOM 799 CG2 THR A 54 69.664 9.023 6.829 1.00 0.00 C ATOM 0 H THR A 54 71.004 6.479 6.580 1.00 0.00 H new ATOM 0 HA THR A 54 71.750 7.581 9.190 1.00 0.00 H new ATOM 0 HB THR A 54 71.470 9.597 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.611 10.461 8.973 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.370 10.050 6.612 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.194 8.609 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.775 8.425 7.029 1.00 0.00 H new ATOM 807 N VAL A 55 69.457 6.946 10.129 1.00 0.00 N ATOM 808 CA VAL A 55 68.313 6.265 10.735 1.00 0.00 C ATOM 809 C VAL A 55 67.251 7.287 11.143 1.00 0.00 C ATOM 810 O VAL A 55 67.567 8.314 11.742 1.00 0.00 O ATOM 811 CB VAL A 55 68.774 5.485 11.969 1.00 0.00 C ATOM 812 CG1 VAL A 55 69.700 4.344 11.540 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.537 6.423 12.909 1.00 0.00 C ATOM 0 H VAL A 55 69.960 7.561 10.768 1.00 0.00 H new ATOM 0 HA VAL A 55 67.884 5.576 10.008 1.00 0.00 H new ATOM 0 HB VAL A 55 67.903 5.076 12.482 1.00 0.00 H new ATOM 0 HG11 VAL A 55 70.027 3.790 12.420 1.00 0.00 H new ATOM 0 HG12 VAL A 55 69.164 3.674 10.868 1.00 0.00 H new ATOM 0 HG13 VAL A 55 70.569 4.754 11.026 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.866 5.869 13.788 1.00 0.00 H new ATOM 0 HG22 VAL A 55 70.405 6.830 12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 55 68.884 7.239 13.218 1.00 0.00 H new ATOM 823 N GLU A 56 65.990 7.003 10.807 1.00 0.00 N ATOM 824 CA GLU A 56 64.882 7.907 11.141 1.00 0.00 C ATOM 825 C GLU A 56 63.898 7.226 12.093 1.00 0.00 C ATOM 826 O GLU A 56 64.113 6.095 12.527 1.00 0.00 O ATOM 827 CB GLU A 56 64.154 8.340 9.865 1.00 0.00 C ATOM 828 CG GLU A 56 65.055 9.277 9.053 1.00 0.00 C ATOM 829 CD GLU A 56 64.389 9.632 7.727 1.00 0.00 C ATOM 830 OE1 GLU A 56 65.017 10.317 6.938 1.00 0.00 O ATOM 831 OE2 GLU A 56 63.261 9.216 7.523 1.00 0.00 O1- ATOM 0 H GLU A 56 65.710 6.159 10.307 1.00 0.00 H new ATOM 0 HA GLU A 56 65.294 8.787 11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.891 7.466 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 56 63.222 8.845 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.255 10.185 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.017 8.799 8.868 1.00 0.00 H new ATOM 838 N GLN A 57 62.825 7.937 12.422 1.00 0.00 N ATOM 839 CA GLN A 57 61.810 7.417 13.336 1.00 0.00 C ATOM 840 C GLN A 57 61.102 6.195 12.743 1.00 0.00 C ATOM 841 O GLN A 57 60.923 6.094 11.528 1.00 0.00 O ATOM 842 CB GLN A 57 60.791 8.531 13.631 1.00 0.00 C ATOM 843 CG GLN A 57 60.117 8.314 14.991 1.00 0.00 C ATOM 844 CD GLN A 57 59.186 7.111 14.935 1.00 0.00 C ATOM 845 OE1 GLN A 57 58.481 6.917 13.945 1.00 0.00 O ATOM 846 NE2 GLN A 57 59.137 6.289 15.948 1.00 0.00 N ATOM 0 H GLN A 57 62.634 8.875 12.070 1.00 0.00 H new ATOM 0 HA GLN A 57 62.294 7.099 14.260 1.00 0.00 H new ATOM 0 HB2 GLN A 57 61.292 9.499 13.620 1.00 0.00 H new ATOM 0 HB3 GLN A 57 60.035 8.554 12.846 1.00 0.00 H new ATOM 0 HG2 GLN A 57 60.875 8.160 15.759 1.00 0.00 H new ATOM 0 HG3 GLN A 57 59.555 9.205 15.272 1.00 0.00 H new ATOM 0 HE21 GLN A 57 59.723 6.453 16.767 1.00 0.00 H new ATOM 0 HE22 GLN A 57 58.513 5.483 15.921 1.00 0.00 H new ATOM 855 N GLY A 58 60.704 5.270 13.615 1.00 0.00 N ATOM 856 CA GLY A 58 60.014 4.060 13.179 1.00 0.00 C ATOM 857 C GLY A 58 60.996 3.018 12.660 1.00 0.00 C ATOM 858 O GLY A 58 60.593 2.037 12.037 1.00 0.00 O ATOM 0 H GLY A 58 60.847 5.336 14.623 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.445 3.644 14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.298 4.310 12.396 1.00 0.00 H new ATOM 862 N THR A 59 62.283 3.234 12.924 1.00 0.00 N ATOM 863 CA THR A 59 63.313 2.302 12.480 1.00 0.00 C ATOM 864 C THR A 59 63.474 2.370 10.958 1.00 0.00 C ATOM 865 O THR A 59 63.930 1.416 10.314 1.00 0.00 O ATOM 866 CB THR A 59 62.949 0.883 12.937 1.00 0.00 C ATOM 867 OG1 THR A 59 62.324 0.958 14.210 1.00 0.00 O ATOM 868 CG2 THR A 59 64.208 0.011 13.040 1.00 0.00 C ATOM 0 H THR A 59 62.634 4.041 13.440 1.00 0.00 H new ATOM 0 HA THR A 59 64.269 2.577 12.926 1.00 0.00 H new ATOM 0 HB THR A 59 62.273 0.435 12.208 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.085 0.056 14.511 1.00 0.00 H new ATOM 0 HG21 THR A 59 63.931 -0.992 13.365 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.693 -0.045 12.065 1.00 0.00 H new ATOM 0 HG23 THR A 59 64.896 0.449 13.763 1.00 0.00 H new ATOM 876 N LEU A 60 63.096 3.521 10.393 1.00 0.00 N ATOM 877 CA LEU A 60 63.209 3.742 8.950 1.00 0.00 C ATOM 878 C LEU A 60 64.651 4.107 8.563 1.00 0.00 C ATOM 879 O LEU A 60 65.310 4.884 9.254 1.00 0.00 O ATOM 880 CB LEU A 60 62.247 4.871 8.525 1.00 0.00 C ATOM 881 CG LEU A 60 60.861 4.298 8.209 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.319 3.539 9.419 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.905 5.441 7.860 1.00 0.00 C ATOM 0 H LEU A 60 62.711 4.310 10.911 1.00 0.00 H new ATOM 0 HA LEU A 60 62.941 2.820 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.169 5.611 9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.643 5.386 7.650 1.00 0.00 H new ATOM 0 HG LEU A 60 60.943 3.614 7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 60 59.334 3.136 9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.996 2.722 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.240 4.217 10.269 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.919 5.035 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 60 59.831 6.125 8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.283 5.979 6.990 1.00 0.00 H new ATOM 895 N HIS A 61 65.123 3.545 7.441 1.00 0.00 N ATOM 896 CA HIS A 61 66.481 3.817 6.939 1.00 0.00 C ATOM 897 C HIS A 61 66.400 4.629 5.642 1.00 0.00 C ATOM 898 O HIS A 61 65.642 4.279 4.735 1.00 0.00 O ATOM 899 CB HIS A 61 67.223 2.500 6.667 1.00 0.00 C ATOM 900 CG HIS A 61 67.425 1.745 7.954 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.956 0.463 7.988 1.00 0.00 N ATOM 902 CD2 HIS A 61 67.167 2.075 9.262 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.998 0.074 9.276 1.00 0.00 C ATOM 904 NE2 HIS A 61 67.528 1.020 10.095 1.00 0.00 N ATOM 0 H HIS A 61 64.586 2.899 6.863 1.00 0.00 H new ATOM 0 HA HIS A 61 67.025 4.384 7.695 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.654 1.891 5.965 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.187 2.706 6.202 1.00 0.00 H new ATOM 0 HD2 HIS A 61 66.747 3.013 9.594 1.00 0.00 H new ATOM 0 HE1 HIS A 61 68.367 -0.886 9.607 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.451 0.978 11.111 1.00 0.00 H new ATOM 912 N LEU A 62 67.162 5.729 5.563 1.00 0.00 N ATOM 913 CA LEU A 62 67.141 6.600 4.372 1.00 0.00 C ATOM 914 C LEU A 62 68.549 6.795 3.793 1.00 0.00 C ATOM 915 O LEU A 62 69.428 7.343 4.461 1.00 0.00 O ATOM 916 CB LEU A 62 66.555 7.966 4.783 1.00 0.00 C ATOM 917 CG LEU A 62 66.082 8.789 3.564 1.00 0.00 C ATOM 918 CD1 LEU A 62 67.249 9.074 2.606 1.00 0.00 C ATOM 919 CD2 LEU A 62 64.953 8.044 2.819 1.00 0.00 C ATOM 0 H LEU A 62 67.796 6.037 6.300 1.00 0.00 H new ATOM 0 HA LEU A 62 66.530 6.132 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.716 7.810 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.308 8.532 5.331 1.00 0.00 H new ATOM 0 HG LEU A 62 65.698 9.742 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.889 9.655 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 62 68.021 9.638 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 62 67.666 8.132 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 64.630 8.636 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.321 7.078 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 62 64.110 7.892 3.494 1.00 0.00 H new ATOM 931 N LEU A 63 68.745 6.381 2.529 1.00 0.00 N ATOM 932 CA LEU A 63 70.035 6.562 1.848 1.00 0.00 C ATOM 933 C LEU A 63 69.922 7.726 0.870 1.00 0.00 C ATOM 934 O LEU A 63 69.177 7.653 -0.108 1.00 0.00 O ATOM 935 CB LEU A 63 70.436 5.273 1.106 1.00 0.00 C ATOM 936 CG LEU A 63 71.289 4.365 2.011 1.00 0.00 C ATOM 937 CD1 LEU A 63 70.648 4.232 3.402 1.00 0.00 C ATOM 938 CD2 LEU A 63 71.411 2.979 1.360 1.00 0.00 C ATOM 0 H LEU A 63 68.031 5.922 1.963 1.00 0.00 H new ATOM 0 HA LEU A 63 70.807 6.781 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 63 69.541 4.739 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 63 70.995 5.525 0.205 1.00 0.00 H new ATOM 0 HG LEU A 63 72.278 4.808 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 63 71.265 3.587 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.571 5.217 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 63 69.653 3.798 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.014 2.330 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 63 70.418 2.546 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 63 71.887 3.076 0.384 1.00 0.00 H new ATOM 950 N THR A 64 70.657 8.800 1.138 1.00 0.00 N ATOM 951 CA THR A 64 70.618 9.973 0.273 1.00 0.00 C ATOM 952 C THR A 64 71.809 9.987 -0.668 1.00 0.00 C ATOM 953 O THR A 64 72.949 10.194 -0.249 1.00 0.00 O ATOM 954 CB THR A 64 70.652 11.240 1.128 1.00 0.00 C ATOM 955 OG1 THR A 64 69.530 11.249 1.999 1.00 0.00 O ATOM 956 CG2 THR A 64 70.612 12.474 0.226 1.00 0.00 C ATOM 0 H THR A 64 71.282 8.883 1.940 1.00 0.00 H new ATOM 0 HA THR A 64 69.700 9.936 -0.314 1.00 0.00 H new ATOM 0 HB THR A 64 71.570 11.257 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.550 12.059 2.550 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.636 13.374 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.475 12.466 -0.440 1.00 0.00 H new ATOM 0 HG23 THR A 64 69.696 12.463 -0.365 1.00 0.00 H new ATOM 964 N LEU A 65 71.531 9.776 -1.946 1.00 0.00 N ATOM 965 CA LEU A 65 72.576 9.774 -2.971 1.00 0.00 C ATOM 966 C LEU A 65 72.421 10.992 -3.870 1.00 0.00 C ATOM 967 O LEU A 65 71.334 11.269 -4.376 1.00 0.00 O ATOM 968 CB LEU A 65 72.490 8.487 -3.799 1.00 0.00 C ATOM 969 CG LEU A 65 73.569 8.487 -4.902 1.00 0.00 C ATOM 970 CD1 LEU A 65 73.791 7.048 -5.385 1.00 0.00 C ATOM 971 CD2 LEU A 65 73.152 9.390 -6.099 1.00 0.00 C ATOM 0 H LEU A 65 70.591 9.603 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 65 73.553 9.816 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.622 7.620 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 65 71.501 8.401 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 65 74.493 8.889 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 65 74.552 7.039 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 65 74.120 6.430 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 65 72.858 6.650 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 65 73.933 9.369 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 65 72.220 9.021 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 65 73.012 10.413 -5.751 1.00 0.00 H new ATOM 983 N HIS A 66 73.515 11.723 -4.054 1.00 0.00 N ATOM 984 CA HIS A 66 73.496 12.919 -4.886 1.00 0.00 C ATOM 985 C HIS A 66 74.882 13.186 -5.466 1.00 0.00 C ATOM 986 O HIS A 66 75.876 12.614 -5.017 1.00 0.00 O ATOM 987 CB HIS A 66 73.037 14.118 -4.056 1.00 0.00 C ATOM 988 CG HIS A 66 73.919 14.253 -2.847 1.00 0.00 C ATOM 989 ND1 HIS A 66 75.295 14.110 -2.920 1.00 0.00 N ATOM 990 CD2 HIS A 66 73.639 14.521 -1.529 1.00 0.00 C ATOM 991 CE1 HIS A 66 75.787 14.294 -1.681 1.00 0.00 C ATOM 992 NE2 HIS A 66 74.820 14.548 -0.795 1.00 0.00 N ATOM 0 H HIS A 66 74.422 11.509 -3.640 1.00 0.00 H new ATOM 0 HA HIS A 66 72.799 12.764 -5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 66 73.080 15.027 -4.655 1.00 0.00 H new ATOM 0 HB3 HIS A 66 71.999 13.987 -3.750 1.00 0.00 H new ATOM 0 HD1 HIS A 66 75.836 13.903 -3.759 1.00 0.00 H new ATOM 0 HD2 HIS A 66 72.651 14.686 -1.124 1.00 0.00 H new ATOM 0 HE1 HIS A 66 76.837 14.243 -1.433 1.00 0.00 H new ATOM 1000 N LYS A 67 74.938 14.055 -6.476 1.00 0.00 N ATOM 1001 CA LYS A 67 76.204 14.391 -7.123 1.00 0.00 C ATOM 1002 C LYS A 67 77.038 13.135 -7.337 1.00 0.00 C ATOM 1003 O LYS A 67 77.861 12.768 -6.498 1.00 0.00 O ATOM 1004 CB LYS A 67 76.975 15.405 -6.274 1.00 0.00 C ATOM 1005 CG LYS A 67 76.186 16.715 -6.242 1.00 0.00 C ATOM 1006 CD LYS A 67 76.897 17.746 -5.361 1.00 0.00 C ATOM 1007 CE LYS A 67 76.069 19.034 -5.332 1.00 0.00 C ATOM 1008 NZ LYS A 67 74.801 18.794 -4.581 1.00 0.00 N1+ ATOM 0 H LYS A 67 74.125 14.536 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 67 75.994 14.836 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 67 77.115 15.023 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 67 77.968 15.571 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 67 76.077 17.106 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 67 75.181 16.532 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 67 77.022 17.356 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 67 77.895 17.949 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 67 76.638 19.834 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 67 75.846 19.359 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 74.406 19.703 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 74.116 18.315 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 74.996 18.197 -3.752 1.00 0.00 H new ATOM 1022 N VAL A 68 76.798 12.466 -8.465 1.00 0.00 N ATOM 1023 CA VAL A 68 77.509 11.230 -8.791 1.00 0.00 C ATOM 1024 C VAL A 68 77.922 11.191 -10.256 1.00 0.00 C ATOM 1025 O VAL A 68 77.415 11.950 -11.082 1.00 0.00 O ATOM 1026 CB VAL A 68 76.617 10.032 -8.494 1.00 0.00 C ATOM 1027 CG1 VAL A 68 76.394 9.928 -6.985 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.271 10.219 -9.199 1.00 0.00 C ATOM 0 H VAL A 68 76.118 12.759 -9.167 1.00 0.00 H new ATOM 0 HA VAL A 68 78.410 11.193 -8.179 1.00 0.00 H new ATOM 0 HB VAL A 68 77.094 9.120 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 68 75.756 9.071 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 68 77.353 9.801 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.914 10.838 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.629 9.364 -8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 68 74.793 11.129 -8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.431 10.298 -10.274 1.00 0.00 H new ATOM 1038 N THR A 69 78.846 10.283 -10.563 1.00 0.00 N ATOM 1039 CA THR A 69 79.347 10.106 -11.926 1.00 0.00 C ATOM 1040 C THR A 69 79.015 8.707 -12.415 1.00 0.00 C ATOM 1041 O THR A 69 78.037 8.100 -11.978 1.00 0.00 O ATOM 1042 CB THR A 69 80.863 10.301 -11.954 1.00 0.00 C ATOM 1043 OG1 THR A 69 81.495 9.224 -11.271 1.00 0.00 O ATOM 1044 CG2 THR A 69 81.214 11.617 -11.266 1.00 0.00 C ATOM 0 H THR A 69 79.267 9.653 -9.880 1.00 0.00 H new ATOM 0 HA THR A 69 78.875 10.844 -12.575 1.00 0.00 H new ATOM 0 HB THR A 69 81.209 10.325 -12.987 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.467 9.349 -11.291 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.294 11.760 -11.284 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.730 12.442 -11.790 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.868 11.591 -10.233 1.00 0.00 H new ATOM 1052 N LEU A 70 79.842 8.198 -13.316 1.00 0.00 N ATOM 1053 CA LEU A 70 79.634 6.864 -13.850 1.00 0.00 C ATOM 1054 C LEU A 70 79.752 5.834 -12.724 1.00 0.00 C ATOM 1055 O LEU A 70 79.219 4.729 -12.819 1.00 0.00 O ATOM 1056 CB LEU A 70 80.684 6.565 -14.926 1.00 0.00 C ATOM 1057 CG LEU A 70 80.560 7.563 -16.087 1.00 0.00 C ATOM 1058 CD1 LEU A 70 81.733 7.354 -17.050 1.00 0.00 C ATOM 1059 CD2 LEU A 70 79.234 7.351 -16.840 1.00 0.00 C ATOM 0 H LEU A 70 80.657 8.685 -13.689 1.00 0.00 H new ATOM 0 HA LEU A 70 78.639 6.808 -14.291 1.00 0.00 H new ATOM 0 HB2 LEU A 70 81.683 6.622 -14.494 1.00 0.00 H new ATOM 0 HB3 LEU A 70 80.555 5.548 -15.297 1.00 0.00 H new ATOM 0 HG LEU A 70 80.576 8.578 -15.690 1.00 0.00 H new ATOM 0 HD11 LEU A 70 81.654 8.058 -17.878 1.00 0.00 H new ATOM 0 HD12 LEU A 70 82.672 7.520 -16.521 1.00 0.00 H new ATOM 0 HD13 LEU A 70 81.709 6.335 -17.437 1.00 0.00 H new ATOM 0 HD21 LEU A 70 79.162 8.066 -17.659 1.00 0.00 H new ATOM 0 HD22 LEU A 70 79.200 6.337 -17.239 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.399 7.499 -16.155 1.00 0.00 H new ATOM 1071 N GLU A 71 80.468 6.208 -11.660 1.00 0.00 N ATOM 1072 CA GLU A 71 80.671 5.319 -10.517 1.00 0.00 C ATOM 1073 C GLU A 71 79.339 4.865 -9.922 1.00 0.00 C ATOM 1074 O GLU A 71 79.313 4.103 -8.957 1.00 0.00 O ATOM 1075 CB GLU A 71 81.495 6.028 -9.434 1.00 0.00 C ATOM 1076 CG GLU A 71 82.894 6.358 -9.966 1.00 0.00 C ATOM 1077 CD GLU A 71 83.656 5.073 -10.271 1.00 0.00 C ATOM 1078 OE1 GLU A 71 83.278 4.044 -9.737 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.604 5.136 -11.038 1.00 0.00 O1- ATOM 0 H GLU A 71 80.916 7.120 -11.568 1.00 0.00 H new ATOM 0 HA GLU A 71 81.209 4.441 -10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 71 80.991 6.943 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.574 5.392 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.815 6.965 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.441 6.948 -9.231 1.00 0.00 H new ATOM 1086 N ASP A 72 78.241 5.344 -10.494 1.00 0.00 N ATOM 1087 CA ASP A 72 76.911 4.983 -10.011 1.00 0.00 C ATOM 1088 C ASP A 72 76.656 3.483 -10.157 1.00 0.00 C ATOM 1089 O ASP A 72 75.998 2.874 -9.312 1.00 0.00 O ATOM 1090 CB ASP A 72 75.850 5.786 -10.789 1.00 0.00 C ATOM 1091 CG ASP A 72 75.646 7.162 -10.158 1.00 0.00 C ATOM 1092 OD1 ASP A 72 75.396 8.099 -10.897 1.00 0.00 O ATOM 1093 OD2 ASP A 72 75.725 7.254 -8.944 1.00 0.00 O1- ATOM 0 H ASP A 72 78.243 5.981 -11.290 1.00 0.00 H new ATOM 0 HA ASP A 72 76.848 5.226 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 72 76.161 5.899 -11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 72 74.907 5.240 -10.797 1.00 0.00 H new ATOM 1098 N ALA A 73 77.167 2.895 -11.227 1.00 0.00 N ATOM 1099 CA ALA A 73 76.974 1.470 -11.460 1.00 0.00 C ATOM 1100 C ALA A 73 77.459 0.661 -10.257 1.00 0.00 C ATOM 1101 O ALA A 73 78.589 0.831 -9.798 1.00 0.00 O ATOM 1102 CB ALA A 73 77.747 1.053 -12.710 1.00 0.00 C ATOM 0 H ALA A 73 77.713 3.375 -11.942 1.00 0.00 H new ATOM 0 HA ALA A 73 75.911 1.274 -11.603 1.00 0.00 H new ATOM 0 HB1 ALA A 73 77.605 -0.013 -12.887 1.00 0.00 H new ATOM 0 HB2 ALA A 73 77.381 1.616 -13.569 1.00 0.00 H new ATOM 0 HB3 ALA A 73 78.808 1.259 -12.567 1.00 0.00 H new ATOM 1108 N GLY A 74 76.598 -0.217 -9.752 1.00 0.00 N ATOM 1109 CA GLY A 74 76.950 -1.049 -8.603 1.00 0.00 C ATOM 1110 C GLY A 74 75.738 -1.829 -8.109 1.00 0.00 C ATOM 1111 O GLY A 74 74.598 -1.405 -8.294 1.00 0.00 O ATOM 0 H GLY A 74 75.658 -0.371 -10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.746 -1.741 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.337 -0.422 -7.799 1.00 0.00 H new ATOM 1115 N THR A 75 75.991 -2.978 -7.485 1.00 0.00 N ATOM 1116 CA THR A 75 74.914 -3.827 -6.970 1.00 0.00 C ATOM 1117 C THR A 75 74.917 -3.847 -5.445 1.00 0.00 C ATOM 1118 O THR A 75 75.867 -4.329 -4.827 1.00 0.00 O ATOM 1119 CB THR A 75 75.105 -5.254 -7.487 1.00 0.00 C ATOM 1120 OG1 THR A 75 75.104 -5.248 -8.908 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.968 -6.140 -6.977 1.00 0.00 C ATOM 0 H THR A 75 76.929 -3.343 -7.323 1.00 0.00 H new ATOM 0 HA THR A 75 73.962 -3.422 -7.313 1.00 0.00 H new ATOM 0 HB THR A 75 76.057 -5.646 -7.127 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.228 -6.162 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.105 -7.156 -7.346 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.972 -6.146 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.015 -5.750 -7.334 1.00 0.00 H new ATOM 1129 N VAL A 76 73.840 -3.345 -4.834 1.00 0.00 N ATOM 1130 CA VAL A 76 73.737 -3.345 -3.374 1.00 0.00 C ATOM 1131 C VAL A 76 73.031 -4.615 -2.916 1.00 0.00 C ATOM 1132 O VAL A 76 71.954 -4.944 -3.408 1.00 0.00 O ATOM 1133 CB VAL A 76 72.955 -2.120 -2.878 1.00 0.00 C ATOM 1134 CG1 VAL A 76 73.160 -1.965 -1.370 1.00 0.00 C ATOM 1135 CG2 VAL A 76 73.450 -0.854 -3.586 1.00 0.00 C ATOM 0 H VAL A 76 73.040 -2.940 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 76 74.743 -3.305 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 76 71.897 -2.262 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.606 -1.096 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.800 -2.858 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 76 74.221 -1.830 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.888 0.008 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.510 -0.710 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 76 73.305 -0.958 -4.661 1.00 0.00 H new ATOM 1145 N SER A 77 73.648 -5.333 -1.976 1.00 0.00 N ATOM 1146 CA SER A 77 73.076 -6.581 -1.461 1.00 0.00 C ATOM 1147 C SER A 77 73.016 -6.562 0.061 1.00 0.00 C ATOM 1148 O SER A 77 73.893 -6.005 0.725 1.00 0.00 O ATOM 1149 CB SER A 77 73.943 -7.759 -1.907 1.00 0.00 C ATOM 1150 OG SER A 77 75.299 -7.488 -1.574 1.00 0.00 O ATOM 0 H SER A 77 74.541 -5.074 -1.556 1.00 0.00 H new ATOM 0 HA SER A 77 72.064 -6.684 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 77 73.612 -8.676 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.843 -7.915 -2.981 1.00 0.00 H new ATOM 0 HG SER A 77 75.861 -8.240 -1.855 1.00 0.00 H new ATOM 1156 N PHE A 78 71.976 -7.184 0.607 1.00 0.00 N ATOM 1157 CA PHE A 78 71.798 -7.249 2.053 1.00 0.00 C ATOM 1158 C PHE A 78 70.918 -8.437 2.428 1.00 0.00 C ATOM 1159 O PHE A 78 70.125 -8.910 1.613 1.00 0.00 O ATOM 1160 CB PHE A 78 71.172 -5.947 2.549 1.00 0.00 C ATOM 1161 CG PHE A 78 70.018 -5.573 1.654 1.00 0.00 C ATOM 1162 CD1 PHE A 78 70.250 -4.814 0.502 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.721 -5.980 1.972 1.00 0.00 C ATOM 1164 CE1 PHE A 78 69.184 -4.461 -0.332 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.653 -5.629 1.138 1.00 0.00 C ATOM 1166 CZ PHE A 78 67.885 -4.869 -0.014 1.00 0.00 C ATOM 0 H PHE A 78 71.244 -7.650 0.070 1.00 0.00 H new ATOM 0 HA PHE A 78 72.771 -7.382 2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.827 -6.065 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 78 71.917 -5.151 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 78 71.254 -4.500 0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.542 -6.566 2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.364 -3.874 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.650 -5.945 1.384 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.061 -4.598 -0.657 1.00 0.00 H new ATOM 1176 N HIS A 79 71.066 -8.926 3.659 1.00 0.00 N ATOM 1177 CA HIS A 79 70.274 -10.071 4.103 1.00 0.00 C ATOM 1178 C HIS A 79 70.205 -10.160 5.626 1.00 0.00 C ATOM 1179 O HIS A 79 71.124 -9.748 6.333 1.00 0.00 O ATOM 1180 CB HIS A 79 70.890 -11.362 3.559 1.00 0.00 C ATOM 1181 CG HIS A 79 72.306 -11.487 4.058 1.00 0.00 C ATOM 1182 ND1 HIS A 79 73.324 -10.664 3.604 1.00 0.00 N ATOM 1183 CD2 HIS A 79 72.887 -12.333 4.970 1.00 0.00 C ATOM 1184 CE1 HIS A 79 74.452 -11.027 4.241 1.00 0.00 C ATOM 1185 NE2 HIS A 79 74.242 -12.040 5.084 1.00 0.00 N ATOM 0 H HIS A 79 71.714 -8.556 4.354 1.00 0.00 H new ATOM 0 HA HIS A 79 69.261 -9.938 3.722 1.00 0.00 H new ATOM 0 HB2 HIS A 79 70.302 -12.222 3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 79 70.876 -11.354 2.469 1.00 0.00 H new ATOM 0 HD2 HIS A 79 72.370 -13.108 5.516 1.00 0.00 H new ATOM 0 HE1 HIS A 79 75.412 -10.556 4.089 1.00 0.00 H new ATOM 0 HE2 HIS A 79 74.927 -12.500 5.683 1.00 0.00 H new ATOM 1193 N VAL A 80 69.107 -10.735 6.113 1.00 0.00 N ATOM 1194 CA VAL A 80 68.888 -10.933 7.547 1.00 0.00 C ATOM 1195 C VAL A 80 68.629 -12.420 7.811 1.00 0.00 C ATOM 1196 O VAL A 80 67.879 -13.066 7.078 1.00 0.00 O ATOM 1197 CB VAL A 80 67.703 -10.078 8.022 1.00 0.00 C ATOM 1198 CG1 VAL A 80 66.425 -10.514 7.308 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.509 -10.234 9.533 1.00 0.00 C ATOM 0 H VAL A 80 68.345 -11.077 5.527 1.00 0.00 H new ATOM 0 HA VAL A 80 69.772 -10.621 8.104 1.00 0.00 H new ATOM 0 HB VAL A 80 67.915 -9.034 7.790 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.590 -9.903 7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 80 66.549 -10.389 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.223 -11.562 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.666 -9.623 9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 80 67.311 -11.280 9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.412 -9.910 10.051 1.00 0.00 H new ATOM 1209 N GLY A 81 69.287 -12.955 8.837 1.00 0.00 N ATOM 1210 CA GLY A 81 69.167 -14.374 9.191 1.00 0.00 C ATOM 1211 C GLY A 81 67.793 -14.960 8.863 1.00 0.00 C ATOM 1212 O GLY A 81 67.678 -16.154 8.583 1.00 0.00 O ATOM 0 H GLY A 81 69.914 -12.426 9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.933 -14.940 8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.362 -14.494 10.257 1.00 0.00 H new ATOM 1216 N THR A 82 66.756 -14.130 8.910 1.00 0.00 N ATOM 1217 CA THR A 82 65.400 -14.596 8.626 1.00 0.00 C ATOM 1218 C THR A 82 65.188 -14.776 7.121 1.00 0.00 C ATOM 1219 O THR A 82 65.151 -15.899 6.615 1.00 0.00 O ATOM 1220 CB THR A 82 64.383 -13.586 9.170 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.802 -13.156 10.458 1.00 0.00 O ATOM 1222 CG2 THR A 82 62.998 -14.239 9.276 1.00 0.00 C ATOM 0 H THR A 82 66.825 -13.139 9.140 1.00 0.00 H new ATOM 0 HA THR A 82 65.259 -15.561 9.113 1.00 0.00 H new ATOM 0 HB THR A 82 64.322 -12.734 8.493 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.158 -12.508 10.812 1.00 0.00 H new ATOM 0 HG21 THR A 82 62.282 -13.514 9.663 1.00 0.00 H new ATOM 0 HG22 THR A 82 62.677 -14.574 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 82 63.049 -15.094 9.950 1.00 0.00 H new ATOM 1230 N CYS A 83 65.053 -13.657 6.411 1.00 0.00 N ATOM 1231 CA CYS A 83 64.851 -13.675 4.959 1.00 0.00 C ATOM 1232 C CYS A 83 65.992 -12.929 4.281 1.00 0.00 C ATOM 1233 O CYS A 83 66.973 -12.578 4.930 1.00 0.00 O ATOM 1234 CB CYS A 83 63.517 -13.004 4.605 1.00 0.00 C ATOM 1235 SG CYS A 83 63.015 -13.500 2.938 1.00 0.00 S ATOM 0 H CYS A 83 65.080 -12.722 6.818 1.00 0.00 H new ATOM 0 HA CYS A 83 64.831 -14.708 4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 83 62.752 -13.289 5.327 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.618 -11.920 4.659 1.00 0.00 H new ATOM 0 HG CYS A 83 61.884 -12.933 2.639 1.00 0.00 H new ATOM 1241 N SER A 84 65.862 -12.674 2.983 1.00 0.00 N ATOM 1242 CA SER A 84 66.901 -11.948 2.255 1.00 0.00 C ATOM 1243 C SER A 84 66.304 -11.189 1.079 1.00 0.00 C ATOM 1244 O SER A 84 65.227 -11.522 0.586 1.00 0.00 O ATOM 1245 CB SER A 84 67.979 -12.909 1.750 1.00 0.00 C ATOM 1246 OG SER A 84 67.372 -13.970 1.023 1.00 0.00 O ATOM 0 H SER A 84 65.060 -12.954 2.418 1.00 0.00 H new ATOM 0 HA SER A 84 67.355 -11.235 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.685 -12.376 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.546 -13.309 2.591 1.00 0.00 H new ATOM 0 HG SER A 84 68.065 -14.583 0.699 1.00 0.00 H new ATOM 1252 N SER A 85 67.021 -10.160 0.643 1.00 0.00 N ATOM 1253 CA SER A 85 66.583 -9.337 -0.471 1.00 0.00 C ATOM 1254 C SER A 85 67.731 -8.456 -0.945 1.00 0.00 C ATOM 1255 O SER A 85 68.621 -8.104 -0.167 1.00 0.00 O ATOM 1256 CB SER A 85 65.398 -8.468 -0.048 1.00 0.00 C ATOM 1257 OG SER A 85 65.236 -7.405 -0.976 1.00 0.00 O ATOM 0 H SER A 85 67.913 -9.877 1.049 1.00 0.00 H new ATOM 0 HA SER A 85 66.270 -9.985 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.490 -9.069 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.564 -8.069 0.953 1.00 0.00 H new ATOM 0 HG SER A 85 64.290 -7.154 -1.024 1.00 0.00 H new ATOM 1263 N GLU A 86 67.716 -8.113 -2.229 1.00 0.00 N ATOM 1264 CA GLU A 86 68.769 -7.279 -2.803 1.00 0.00 C ATOM 1265 C GLU A 86 68.206 -6.372 -3.891 1.00 0.00 C ATOM 1266 O GLU A 86 67.173 -6.667 -4.492 1.00 0.00 O ATOM 1267 CB GLU A 86 69.869 -8.174 -3.382 1.00 0.00 C ATOM 1268 CG GLU A 86 69.278 -9.068 -4.475 1.00 0.00 C ATOM 1269 CD GLU A 86 70.339 -10.033 -5.000 1.00 0.00 C ATOM 1270 OE1 GLU A 86 71.494 -9.872 -4.638 1.00 0.00 O ATOM 1271 OE2 GLU A 86 69.978 -10.925 -5.751 1.00 0.00 O1- ATOM 0 H GLU A 86 66.992 -8.397 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 86 69.187 -6.649 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.672 -7.562 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.307 -8.786 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 86 68.431 -9.628 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 86 68.899 -8.454 -5.292 1.00 0.00 H new ATOM 1278 N ALA A 87 68.903 -5.264 -4.138 1.00 0.00 N ATOM 1279 CA ALA A 87 68.498 -4.295 -5.158 1.00 0.00 C ATOM 1280 C ALA A 87 69.686 -3.982 -6.061 1.00 0.00 C ATOM 1281 O ALA A 87 70.835 -4.099 -5.637 1.00 0.00 O ATOM 1282 CB ALA A 87 68.009 -3.008 -4.492 1.00 0.00 C ATOM 0 H ALA A 87 69.758 -5.013 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 87 67.688 -4.719 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.710 -2.293 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.156 -3.231 -3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.812 -2.581 -3.891 1.00 0.00 H new ATOM 1288 N GLN A 88 69.409 -3.596 -7.309 1.00 0.00 N ATOM 1289 CA GLN A 88 70.475 -3.282 -8.267 1.00 0.00 C ATOM 1290 C GLN A 88 70.306 -1.884 -8.851 1.00 0.00 C ATOM 1291 O GLN A 88 69.200 -1.467 -9.205 1.00 0.00 O ATOM 1292 CB GLN A 88 70.477 -4.305 -9.405 1.00 0.00 C ATOM 1293 CG GLN A 88 71.616 -3.976 -10.377 1.00 0.00 C ATOM 1294 CD GLN A 88 71.783 -5.088 -11.403 1.00 0.00 C ATOM 1295 OE1 GLN A 88 70.800 -5.569 -11.965 1.00 0.00 O ATOM 1296 NE2 GLN A 88 72.981 -5.524 -11.685 1.00 0.00 N ATOM 0 H GLN A 88 68.464 -3.494 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 88 71.423 -3.321 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 88 70.603 -5.311 -9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 88 69.521 -4.287 -9.927 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.408 -3.034 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 88 72.546 -3.841 -9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 88 73.793 -5.122 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 88 73.105 -6.266 -12.374 1.00 0.00 H new ATOM 1305 N LEU A 89 71.429 -1.176 -8.963 1.00 0.00 N ATOM 1306 CA LEU A 89 71.447 0.177 -9.525 1.00 0.00 C ATOM 1307 C LEU A 89 72.147 0.142 -10.881 1.00 0.00 C ATOM 1308 O LEU A 89 73.301 -0.280 -10.978 1.00 0.00 O ATOM 1309 CB LEU A 89 72.199 1.112 -8.573 1.00 0.00 C ATOM 1310 CG LEU A 89 71.970 2.583 -8.965 1.00 0.00 C ATOM 1311 CD1 LEU A 89 72.462 3.481 -7.826 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.727 2.931 -10.265 1.00 0.00 C ATOM 0 H LEU A 89 72.344 -1.518 -8.670 1.00 0.00 H new ATOM 0 HA LEU A 89 70.428 0.542 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.862 0.946 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.265 0.885 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 89 70.906 2.742 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 89 72.305 4.526 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 89 71.907 3.251 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 89 73.524 3.306 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.549 3.976 -10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.795 2.770 -10.118 1.00 0.00 H new ATOM 0 HD23 LEU A 89 72.372 2.294 -11.075 1.00 0.00 H new ATOM 1324 N LYS A 90 71.441 0.574 -11.928 1.00 0.00 N ATOM 1325 CA LYS A 90 71.996 0.575 -13.288 1.00 0.00 C ATOM 1326 C LYS A 90 71.949 1.970 -13.907 1.00 0.00 C ATOM 1327 O LYS A 90 71.166 2.823 -13.487 1.00 0.00 O ATOM 1328 CB LYS A 90 71.222 -0.417 -14.164 1.00 0.00 C ATOM 1329 CG LYS A 90 69.729 -0.077 -14.157 1.00 0.00 C ATOM 1330 CD LYS A 90 68.977 -0.978 -15.153 1.00 0.00 C ATOM 1331 CE LYS A 90 69.052 -2.447 -14.712 1.00 0.00 C ATOM 1332 NZ LYS A 90 67.989 -3.235 -15.406 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.486 0.927 -11.863 1.00 0.00 H new ATOM 0 HA LYS A 90 73.041 0.271 -13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 90 71.604 -0.387 -15.184 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.373 -1.432 -13.797 1.00 0.00 H new ATOM 0 HG2 LYS A 90 69.322 -0.211 -13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 90 69.585 0.970 -14.422 1.00 0.00 H new ATOM 0 HD2 LYS A 90 67.935 -0.665 -15.220 1.00 0.00 H new ATOM 0 HD3 LYS A 90 69.408 -0.869 -16.148 1.00 0.00 H new ATOM 0 HE2 LYS A 90 70.034 -2.858 -14.946 1.00 0.00 H new ATOM 0 HE3 LYS A 90 68.926 -2.520 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 68.042 -4.229 -15.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 67.055 -2.849 -15.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 68.129 -3.176 -16.435 1.00 0.00 H new ATOM 1346 N VAL A 91 72.808 2.193 -14.908 1.00 0.00 N ATOM 1347 CA VAL A 91 72.886 3.487 -15.594 1.00 0.00 C ATOM 1348 C VAL A 91 72.490 3.350 -17.056 1.00 0.00 C ATOM 1349 O VAL A 91 72.901 2.413 -17.742 1.00 0.00 O ATOM 1350 CB VAL A 91 74.311 4.034 -15.519 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.638 4.403 -14.073 1.00 0.00 C ATOM 1352 CG2 VAL A 91 75.294 2.968 -16.011 1.00 0.00 C ATOM 0 H VAL A 91 73.460 1.493 -15.261 1.00 0.00 H new ATOM 0 HA VAL A 91 72.197 4.171 -15.099 1.00 0.00 H new ATOM 0 HB VAL A 91 74.394 4.921 -16.148 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.654 4.793 -14.018 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.938 5.162 -13.724 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.555 3.517 -13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 91 76.310 3.358 -15.958 1.00 0.00 H new ATOM 0 HG22 VAL A 91 75.212 2.081 -15.383 1.00 0.00 H new ATOM 0 HG23 VAL A 91 75.060 2.706 -17.043 1.00 0.00 H new ATOM 1362 N THR A 92 71.686 4.296 -17.530 1.00 0.00 N ATOM 1363 CA THR A 92 71.228 4.290 -18.917 1.00 0.00 C ATOM 1364 C THR A 92 72.068 5.245 -19.764 1.00 0.00 C ATOM 1365 O THR A 92 72.346 6.373 -19.358 1.00 0.00 O ATOM 1366 CB THR A 92 69.757 4.703 -18.966 1.00 0.00 C ATOM 1367 OG1 THR A 92 69.600 5.962 -18.325 1.00 0.00 O ATOM 1368 CG2 THR A 92 68.916 3.650 -18.241 1.00 0.00 C ATOM 0 H THR A 92 71.337 5.077 -16.975 1.00 0.00 H new ATOM 0 HA THR A 92 71.339 3.285 -19.323 1.00 0.00 H new ATOM 0 HB THR A 92 69.430 4.782 -20.003 1.00 0.00 H new ATOM 0 HG1 THR A 92 68.658 6.230 -18.357 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.865 3.939 -18.272 1.00 0.00 H new ATOM 0 HG22 THR A 92 69.042 2.684 -18.730 1.00 0.00 H new ATOM 0 HG23 THR A 92 69.241 3.576 -17.203 1.00 0.00 H new