USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 483 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 19 MET CE :methyl -176:sc= -0.0367 (180deg=-0.0546) USER MOD Set 1.2: A 42 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.054 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 77:sc= -1.62 USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 0.27 (180deg=0.15) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 THR OG1 : rot -65:sc= 0.51 USER MOD Single : A 35 ASN : amide:sc= -2.59 X(o=-2.6,f=-2.2) USER MOD Single : A 36 SER OG : rot 12:sc= 0.178 USER MOD Single : A 43 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.18) USER MOD Single : A 46 MET CE :methyl 157:sc= -0.153 (180deg=-0.495) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -13.7! C(o=-14!,f=-15!) USER MOD Single : A 49 MET CE :methyl -154:sc= -0.118 (180deg=-0.687) USER MOD Single : A 56 ASN : amide:sc= -2.66! C(o=-2.7!,f=-9.2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0567 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.813 27.689 2.469 1.00 0.00 N ATOM 2 CA GLY A 1 -6.065 27.689 1.224 1.00 0.00 C ATOM 3 C GLY A 1 -5.967 26.277 0.643 1.00 0.00 C ATOM 4 O GLY A 1 -6.793 25.881 -0.178 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.865 28.658 2.843 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.775 27.332 2.296 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.336 27.077 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.549 28.349 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.064 28.085 1.397 1.00 0.00 H new ATOM 8 N SER A 2 -4.950 25.556 1.092 1.00 0.00 N ATOM 9 CA SER A 2 -4.734 24.196 0.628 1.00 0.00 C ATOM 10 C SER A 2 -4.160 23.341 1.759 1.00 0.00 C ATOM 11 O SER A 2 -3.202 23.740 2.419 1.00 0.00 O ATOM 12 CB SER A 2 -3.799 24.171 -0.583 1.00 0.00 C ATOM 13 OG SER A 2 -2.560 24.822 -0.315 1.00 0.00 O ATOM 0 H SER A 2 -4.266 25.888 1.772 1.00 0.00 H new ATOM 0 HA SER A 2 -5.695 23.782 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.610 23.138 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.288 24.656 -1.428 1.00 0.00 H new ATOM 0 HG SER A 2 -2.339 24.726 0.635 1.00 0.00 H new ATOM 19 N SER A 3 -4.772 22.181 1.950 1.00 0.00 N ATOM 20 CA SER A 3 -4.334 21.267 2.990 1.00 0.00 C ATOM 21 C SER A 3 -2.878 20.861 2.752 1.00 0.00 C ATOM 22 O SER A 3 -2.607 19.905 2.028 1.00 0.00 O ATOM 23 CB SER A 3 -5.228 20.027 3.046 1.00 0.00 C ATOM 24 OG SER A 3 -5.514 19.634 4.385 1.00 0.00 O ATOM 0 H SER A 3 -5.567 21.854 1.402 1.00 0.00 H new ATOM 0 HA SER A 3 -4.409 21.780 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.161 20.229 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.740 19.204 2.523 1.00 0.00 H new ATOM 0 HG SER A 3 -6.088 18.840 4.377 1.00 0.00 H new ATOM 30 N GLY A 4 -1.979 21.609 3.376 1.00 0.00 N ATOM 31 CA GLY A 4 -0.558 21.339 3.241 1.00 0.00 C ATOM 32 C GLY A 4 -0.237 19.891 3.616 1.00 0.00 C ATOM 33 O GLY A 4 -0.007 19.056 2.743 1.00 0.00 O ATOM 0 H GLY A 4 -2.208 22.402 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.244 21.531 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.007 22.018 3.880 1.00 0.00 H new ATOM 37 N SER A 5 -0.230 19.638 4.917 1.00 0.00 N ATOM 38 CA SER A 5 0.059 18.306 5.419 1.00 0.00 C ATOM 39 C SER A 5 1.534 17.970 5.190 1.00 0.00 C ATOM 40 O SER A 5 2.279 17.746 6.143 1.00 0.00 O ATOM 41 CB SER A 5 -0.834 17.259 4.750 1.00 0.00 C ATOM 42 OG SER A 5 -1.763 16.686 5.666 1.00 0.00 O ATOM 0 H SER A 5 -0.420 20.334 5.638 1.00 0.00 H new ATOM 0 HA SER A 5 -0.149 18.291 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.376 17.719 3.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.213 16.472 4.324 1.00 0.00 H new ATOM 0 HG SER A 5 -2.316 16.024 5.200 1.00 0.00 H new ATOM 48 N SER A 6 1.912 17.944 3.920 1.00 0.00 N ATOM 49 CA SER A 6 3.285 17.639 3.554 1.00 0.00 C ATOM 50 C SER A 6 3.626 16.202 3.954 1.00 0.00 C ATOM 51 O SER A 6 2.988 15.632 4.838 1.00 0.00 O ATOM 52 CB SER A 6 4.260 18.618 4.210 1.00 0.00 C ATOM 53 OG SER A 6 4.075 19.951 3.742 1.00 0.00 O ATOM 0 H SER A 6 1.291 18.129 3.132 1.00 0.00 H new ATOM 0 HA SER A 6 3.382 17.741 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.127 18.592 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.283 18.301 4.007 1.00 0.00 H new ATOM 0 HG SER A 6 4.715 20.545 4.186 1.00 0.00 H new ATOM 59 N GLY A 7 4.630 15.657 3.283 1.00 0.00 N ATOM 60 CA GLY A 7 5.063 14.298 3.557 1.00 0.00 C ATOM 61 C GLY A 7 3.962 13.292 3.215 1.00 0.00 C ATOM 62 O GLY A 7 3.004 13.134 3.969 1.00 0.00 O ATOM 0 H GLY A 7 5.156 16.133 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.958 14.074 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.333 14.204 4.609 1.00 0.00 H new ATOM 66 N LEU A 8 4.136 12.637 2.076 1.00 0.00 N ATOM 67 CA LEU A 8 3.169 11.651 1.625 1.00 0.00 C ATOM 68 C LEU A 8 1.784 12.297 1.550 1.00 0.00 C ATOM 69 O LEU A 8 1.583 13.402 2.054 1.00 0.00 O ATOM 70 CB LEU A 8 3.220 10.406 2.512 1.00 0.00 C ATOM 71 CG LEU A 8 3.163 9.061 1.785 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.445 8.814 0.987 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.867 7.921 2.762 1.00 0.00 C ATOM 0 H LEU A 8 4.932 12.770 1.452 1.00 0.00 H new ATOM 0 HA LEU A 8 3.415 11.308 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.137 10.440 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.389 10.451 3.216 1.00 0.00 H new ATOM 0 HG LEU A 8 2.340 9.094 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.378 7.851 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.572 9.605 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.300 8.809 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.832 6.976 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.651 7.876 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.906 8.097 3.246 1.00 0.00 H new ATOM 85 N ASP A 9 0.866 11.582 0.919 1.00 0.00 N ATOM 86 CA ASP A 9 -0.494 12.072 0.772 1.00 0.00 C ATOM 87 C ASP A 9 -1.472 11.006 1.271 1.00 0.00 C ATOM 88 O ASP A 9 -1.623 9.957 0.648 1.00 0.00 O ATOM 89 CB ASP A 9 -0.820 12.363 -0.694 1.00 0.00 C ATOM 90 CG ASP A 9 -0.975 13.845 -1.040 1.00 0.00 C ATOM 91 OD1 ASP A 9 -1.196 14.629 -0.092 1.00 0.00 O ATOM 92 OD2 ASP A 9 -0.870 14.161 -2.245 1.00 0.00 O ATOM 0 H ASP A 9 1.037 10.666 0.503 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.585 12.991 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.031 11.941 -1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.743 11.846 -0.955 1.00 0.00 H new ATOM 97 N GLU A 10 -2.112 11.313 2.391 1.00 0.00 N ATOM 98 CA GLU A 10 -3.071 10.395 2.981 1.00 0.00 C ATOM 99 C GLU A 10 -4.366 10.384 2.165 1.00 0.00 C ATOM 100 O GLU A 10 -4.986 9.336 1.994 1.00 0.00 O ATOM 101 CB GLU A 10 -3.346 10.753 4.442 1.00 0.00 C ATOM 102 CG GLU A 10 -4.016 12.125 4.553 1.00 0.00 C ATOM 103 CD GLU A 10 -4.439 12.413 5.995 1.00 0.00 C ATOM 104 OE1 GLU A 10 -3.655 12.052 6.899 1.00 0.00 O ATOM 105 OE2 GLU A 10 -5.536 12.988 6.161 1.00 0.00 O ATOM 0 H GLU A 10 -1.985 12.185 2.905 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.644 9.392 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.986 9.994 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.411 10.754 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.328 12.898 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.888 12.162 3.900 1.00 0.00 H new ATOM 112 N SER A 11 -4.735 11.562 1.685 1.00 0.00 N ATOM 113 CA SER A 11 -5.944 11.701 0.892 1.00 0.00 C ATOM 114 C SER A 11 -6.033 10.567 -0.131 1.00 0.00 C ATOM 115 O SER A 11 -7.105 10.006 -0.350 1.00 0.00 O ATOM 116 CB SER A 11 -5.987 13.058 0.185 1.00 0.00 C ATOM 117 OG SER A 11 -6.879 13.965 0.826 1.00 0.00 O ATOM 0 H SER A 11 -4.218 12.429 1.830 1.00 0.00 H new ATOM 0 HA SER A 11 -6.801 11.644 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.986 13.488 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.295 12.918 -0.851 1.00 0.00 H new ATOM 0 HG SER A 11 -6.877 14.820 0.346 1.00 0.00 H new ATOM 123 N VAL A 12 -4.891 10.263 -0.731 1.00 0.00 N ATOM 124 CA VAL A 12 -4.826 9.206 -1.726 1.00 0.00 C ATOM 125 C VAL A 12 -4.998 7.851 -1.036 1.00 0.00 C ATOM 126 O VAL A 12 -5.796 7.024 -1.474 1.00 0.00 O ATOM 127 CB VAL A 12 -3.521 9.312 -2.517 1.00 0.00 C ATOM 128 CG1 VAL A 12 -3.417 8.193 -3.556 1.00 0.00 C ATOM 129 CG2 VAL A 12 -3.390 10.686 -3.177 1.00 0.00 C ATOM 0 H VAL A 12 -4.003 10.730 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.637 9.309 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.694 9.197 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.480 8.292 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.443 7.226 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.254 8.263 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.454 10.735 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.226 10.843 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.397 11.460 -2.410 1.00 0.00 H new ATOM 139 N ILE A 13 -4.236 7.666 0.032 1.00 0.00 N ATOM 140 CA ILE A 13 -4.295 6.426 0.787 1.00 0.00 C ATOM 141 C ILE A 13 -5.741 6.158 1.208 1.00 0.00 C ATOM 142 O ILE A 13 -6.278 5.082 0.948 1.00 0.00 O ATOM 143 CB ILE A 13 -3.311 6.464 1.958 1.00 0.00 C ATOM 144 CG1 ILE A 13 -1.876 6.654 1.462 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.454 5.219 2.836 1.00 0.00 C ATOM 146 CD1 ILE A 13 -1.050 7.460 2.467 1.00 0.00 C ATOM 0 H ILE A 13 -3.575 8.354 0.392 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.983 5.587 0.165 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.554 7.326 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.411 5.681 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.885 7.166 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.743 5.272 3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.468 5.169 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.253 4.329 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.034 7.580 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.504 8.441 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.023 6.933 3.421 1.00 0.00 H new ATOM 158 N ILE A 14 -6.331 7.154 1.852 1.00 0.00 N ATOM 159 CA ILE A 14 -7.705 7.039 2.311 1.00 0.00 C ATOM 160 C ILE A 14 -8.559 6.422 1.202 1.00 0.00 C ATOM 161 O ILE A 14 -9.173 5.374 1.397 1.00 0.00 O ATOM 162 CB ILE A 14 -8.220 8.393 2.803 1.00 0.00 C ATOM 163 CG1 ILE A 14 -7.740 8.678 4.228 1.00 0.00 C ATOM 164 CG2 ILE A 14 -9.743 8.477 2.684 1.00 0.00 C ATOM 165 CD1 ILE A 14 -6.515 9.594 4.221 1.00 0.00 C ATOM 0 H ILE A 14 -5.883 8.045 2.067 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.765 6.370 3.169 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.804 9.170 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.543 9.143 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.495 7.741 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.083 9.449 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.034 8.351 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.199 7.691 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.194 9.781 5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.706 9.115 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.771 10.540 3.743 1.00 0.00 H new ATOM 177 N GLN A 15 -8.571 7.099 0.063 1.00 0.00 N ATOM 178 CA GLN A 15 -9.340 6.630 -1.077 1.00 0.00 C ATOM 179 C GLN A 15 -9.125 5.129 -1.282 1.00 0.00 C ATOM 180 O GLN A 15 -10.058 4.340 -1.139 1.00 0.00 O ATOM 181 CB GLN A 15 -8.979 7.412 -2.342 1.00 0.00 C ATOM 182 CG GLN A 15 -9.078 8.920 -2.100 1.00 0.00 C ATOM 183 CD GLN A 15 -10.056 9.569 -3.082 1.00 0.00 C ATOM 184 OE1 GLN A 15 -11.262 9.545 -2.904 1.00 0.00 O ATOM 185 NE2 GLN A 15 -9.470 10.149 -4.126 1.00 0.00 N ATOM 0 H GLN A 15 -8.061 7.968 -0.095 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.397 6.802 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.967 7.156 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.647 7.126 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.406 9.107 -1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.093 9.375 -2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.454 10.133 -4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.037 10.610 -4.838 1.00 0.00 H new ATOM 194 N LEU A 16 -7.891 4.780 -1.613 1.00 0.00 N ATOM 195 CA LEU A 16 -7.542 3.387 -1.838 1.00 0.00 C ATOM 196 C LEU A 16 -8.123 2.532 -0.710 1.00 0.00 C ATOM 197 O LEU A 16 -8.778 1.522 -0.966 1.00 0.00 O ATOM 198 CB LEU A 16 -6.029 3.235 -2.008 1.00 0.00 C ATOM 199 CG LEU A 16 -5.398 4.040 -3.146 1.00 0.00 C ATOM 200 CD1 LEU A 16 -3.894 4.214 -2.926 1.00 0.00 C ATOM 201 CD2 LEU A 16 -5.709 3.407 -4.504 1.00 0.00 C ATOM 0 H LEU A 16 -7.120 5.437 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.982 3.029 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.547 3.525 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.805 2.180 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.841 5.036 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.470 4.790 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.722 4.742 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.417 3.235 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.249 3.999 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.312 2.392 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.788 3.378 -4.653 1.00 0.00 H new ATOM 213 N VAL A 17 -7.862 2.966 0.514 1.00 0.00 N ATOM 214 CA VAL A 17 -8.351 2.253 1.682 1.00 0.00 C ATOM 215 C VAL A 17 -9.876 2.153 1.612 1.00 0.00 C ATOM 216 O VAL A 17 -10.458 1.168 2.063 1.00 0.00 O ATOM 217 CB VAL A 17 -7.854 2.936 2.958 1.00 0.00 C ATOM 218 CG1 VAL A 17 -8.553 2.363 4.193 1.00 0.00 C ATOM 219 CG2 VAL A 17 -6.334 2.821 3.085 1.00 0.00 C ATOM 0 H VAL A 17 -7.318 3.803 0.723 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.959 1.236 1.700 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.105 3.995 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.182 2.865 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.628 2.520 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.347 1.295 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.007 3.315 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.050 1.769 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.860 3.297 2.227 1.00 0.00 H new ATOM 229 N GLU A 18 -10.479 3.186 1.042 1.00 0.00 N ATOM 230 CA GLU A 18 -11.925 3.227 0.907 1.00 0.00 C ATOM 231 C GLU A 18 -12.385 2.247 -0.175 1.00 0.00 C ATOM 232 O GLU A 18 -13.497 1.724 -0.111 1.00 0.00 O ATOM 233 CB GLU A 18 -12.407 4.646 0.602 1.00 0.00 C ATOM 234 CG GLU A 18 -13.203 5.219 1.776 1.00 0.00 C ATOM 235 CD GLU A 18 -14.202 6.275 1.298 1.00 0.00 C ATOM 236 OE1 GLU A 18 -13.739 7.392 0.982 1.00 0.00 O ATOM 237 OE2 GLU A 18 -15.406 5.941 1.261 1.00 0.00 O ATOM 0 H GLU A 18 -9.992 4.001 0.668 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.368 2.924 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.551 5.287 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.028 4.638 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.734 4.416 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.520 5.661 2.502 1.00 0.00 H new ATOM 244 N MET A 19 -11.507 2.028 -1.142 1.00 0.00 N ATOM 245 CA MET A 19 -11.809 1.121 -2.236 1.00 0.00 C ATOM 246 C MET A 19 -11.808 -0.333 -1.758 1.00 0.00 C ATOM 247 O MET A 19 -12.363 -1.208 -2.421 1.00 0.00 O ATOM 248 CB MET A 19 -10.770 1.294 -3.345 1.00 0.00 C ATOM 249 CG MET A 19 -11.251 2.298 -4.395 1.00 0.00 C ATOM 250 SD MET A 19 -10.801 1.736 -6.028 1.00 0.00 S ATOM 251 CE MET A 19 -9.028 1.919 -5.942 1.00 0.00 C ATOM 0 H MET A 19 -10.586 2.463 -1.191 1.00 0.00 H new ATOM 0 HA MET A 19 -12.802 1.359 -2.617 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.828 1.635 -2.916 1.00 0.00 H new ATOM 0 HB3 MET A 19 -10.575 0.332 -3.819 1.00 0.00 H new ATOM 0 HG2 MET A 19 -12.332 2.417 -4.328 1.00 0.00 H new ATOM 0 HG3 MET A 19 -10.810 3.276 -4.204 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.590 1.677 -6.910 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.781 2.947 -5.679 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.629 1.244 -5.185 1.00 0.00 H new ATOM 261 N GLY A 20 -11.180 -0.545 -0.611 1.00 0.00 N ATOM 262 CA GLY A 20 -11.100 -1.878 -0.037 1.00 0.00 C ATOM 263 C GLY A 20 -9.669 -2.415 -0.098 1.00 0.00 C ATOM 264 O GLY A 20 -9.435 -3.515 -0.598 1.00 0.00 O ATOM 0 H GLY A 20 -10.722 0.183 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.439 -1.853 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.768 -2.550 -0.575 1.00 0.00 H new ATOM 268 N PHE A 21 -8.748 -1.615 0.419 1.00 0.00 N ATOM 269 CA PHE A 21 -7.346 -1.997 0.430 1.00 0.00 C ATOM 270 C PHE A 21 -6.721 -1.749 1.805 1.00 0.00 C ATOM 271 O PHE A 21 -7.226 -0.943 2.584 1.00 0.00 O ATOM 272 CB PHE A 21 -6.636 -1.123 -0.605 1.00 0.00 C ATOM 273 CG PHE A 21 -6.827 -1.589 -2.050 1.00 0.00 C ATOM 274 CD1 PHE A 21 -6.037 -2.573 -2.558 1.00 0.00 C ATOM 275 CD2 PHE A 21 -7.788 -1.020 -2.826 1.00 0.00 C ATOM 276 CE1 PHE A 21 -6.215 -3.005 -3.898 1.00 0.00 C ATOM 277 CE2 PHE A 21 -7.966 -1.452 -4.167 1.00 0.00 C ATOM 278 CZ PHE A 21 -7.176 -2.436 -4.675 1.00 0.00 C ATOM 0 H PHE A 21 -8.945 -0.704 0.833 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.248 -3.058 0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.001 -0.100 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.570 -1.103 -0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.274 -3.025 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.416 -0.239 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.587 -3.786 -4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.729 -0.999 -4.783 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.312 -2.765 -5.695 1.00 0.00 H new ATOM 288 N PRO A 22 -5.602 -2.476 2.067 1.00 0.00 N ATOM 289 CA PRO A 22 -4.902 -2.343 3.334 1.00 0.00 C ATOM 290 C PRO A 22 -4.108 -1.037 3.386 1.00 0.00 C ATOM 291 O PRO A 22 -3.283 -0.772 2.513 1.00 0.00 O ATOM 292 CB PRO A 22 -4.022 -3.578 3.428 1.00 0.00 C ATOM 293 CG PRO A 22 -3.909 -4.120 2.013 1.00 0.00 C ATOM 294 CD PRO A 22 -4.975 -3.441 1.168 1.00 0.00 C ATOM 0 HA PRO A 22 -5.580 -2.288 4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.040 -3.328 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.460 -4.319 4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.917 -3.923 1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.047 -5.201 2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.537 -2.947 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.701 -4.162 0.792 1.00 0.00 H new ATOM 302 N MET A 23 -4.384 -0.255 4.420 1.00 0.00 N ATOM 303 CA MET A 23 -3.705 1.018 4.598 1.00 0.00 C ATOM 304 C MET A 23 -2.211 0.889 4.296 1.00 0.00 C ATOM 305 O MET A 23 -1.704 1.521 3.370 1.00 0.00 O ATOM 306 CB MET A 23 -3.896 1.501 6.037 1.00 0.00 C ATOM 307 CG MET A 23 -4.145 3.010 6.080 1.00 0.00 C ATOM 308 SD MET A 23 -5.783 3.341 6.705 1.00 0.00 S ATOM 309 CE MET A 23 -5.882 5.097 6.402 1.00 0.00 C ATOM 0 H MET A 23 -5.068 -0.478 5.143 1.00 0.00 H new ATOM 0 HA MET A 23 -4.136 1.739 3.903 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.737 0.977 6.492 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.012 1.258 6.626 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.401 3.492 6.714 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.035 3.434 5.082 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.850 5.470 6.737 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.088 5.606 6.949 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.768 5.289 5.335 1.00 0.00 H new ATOM 319 N ASP A 24 -1.547 0.066 5.095 1.00 0.00 N ATOM 320 CA ASP A 24 -0.121 -0.154 4.925 1.00 0.00 C ATOM 321 C ASP A 24 0.203 -0.239 3.432 1.00 0.00 C ATOM 322 O ASP A 24 0.986 0.558 2.917 1.00 0.00 O ATOM 323 CB ASP A 24 0.316 -1.466 5.579 1.00 0.00 C ATOM 324 CG ASP A 24 0.108 -1.534 7.093 1.00 0.00 C ATOM 325 OD1 ASP A 24 0.049 -0.447 7.708 1.00 0.00 O ATOM 326 OD2 ASP A 24 0.013 -2.672 7.602 1.00 0.00 O ATOM 0 H ASP A 24 -1.971 -0.456 5.862 1.00 0.00 H new ATOM 0 HA ASP A 24 0.406 0.676 5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.232 -2.286 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.373 -1.627 5.365 1.00 0.00 H new ATOM 331 N ALA A 25 -0.415 -1.212 2.779 1.00 0.00 N ATOM 332 CA ALA A 25 -0.203 -1.411 1.356 1.00 0.00 C ATOM 333 C ALA A 25 -0.438 -0.091 0.619 1.00 0.00 C ATOM 334 O ALA A 25 0.342 0.284 -0.255 1.00 0.00 O ATOM 335 CB ALA A 25 -1.118 -2.530 0.854 1.00 0.00 C ATOM 0 H ALA A 25 -1.063 -1.871 3.210 1.00 0.00 H new ATOM 0 HA ALA A 25 0.825 -1.718 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.958 -2.679 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.890 -3.453 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.158 -2.256 1.031 1.00 0.00 H new ATOM 341 N CYS A 26 -1.517 0.577 0.999 1.00 0.00 N ATOM 342 CA CYS A 26 -1.866 1.848 0.386 1.00 0.00 C ATOM 343 C CYS A 26 -0.722 2.832 0.637 1.00 0.00 C ATOM 344 O CYS A 26 -0.378 3.626 -0.238 1.00 0.00 O ATOM 345 CB CYS A 26 -3.202 2.380 0.908 1.00 0.00 C ATOM 346 SG CYS A 26 -4.574 1.333 0.299 1.00 0.00 S ATOM 0 H CYS A 26 -2.162 0.262 1.724 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.999 1.713 -0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.198 2.390 1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.346 3.409 0.580 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.621 0.233 0.991 1.00 0.00 H new ATOM 352 N ARG A 27 -0.163 2.748 1.835 1.00 0.00 N ATOM 353 CA ARG A 27 0.935 3.621 2.212 1.00 0.00 C ATOM 354 C ARG A 27 2.225 3.184 1.513 1.00 0.00 C ATOM 355 O ARG A 27 3.173 3.961 1.411 1.00 0.00 O ATOM 356 CB ARG A 27 1.155 3.608 3.726 1.00 0.00 C ATOM 357 CG ARG A 27 0.296 4.672 4.413 1.00 0.00 C ATOM 358 CD ARG A 27 0.031 4.303 5.874 1.00 0.00 C ATOM 359 NE ARG A 27 0.939 5.064 6.761 1.00 0.00 N ATOM 360 CZ ARG A 27 0.858 5.062 8.099 1.00 0.00 C ATOM 361 NH1 ARG A 27 -0.089 4.340 8.712 1.00 0.00 N ATOM 362 NH2 ARG A 27 1.725 5.783 8.823 1.00 0.00 N ATOM 0 H ARG A 27 -0.450 2.088 2.558 1.00 0.00 H new ATOM 0 HA ARG A 27 0.674 4.633 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.909 2.624 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.207 3.787 3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.799 5.638 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.651 4.778 3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.006 4.519 6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.179 3.233 6.020 1.00 0.00 H new ATOM 0 HE ARG A 27 1.672 5.625 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.749 3.791 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.150 4.339 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.446 6.333 8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.664 5.782 9.841 1.00 0.00 H new ATOM 376 N LYS A 28 2.218 1.943 1.051 1.00 0.00 N ATOM 377 CA LYS A 28 3.375 1.393 0.365 1.00 0.00 C ATOM 378 C LYS A 28 3.444 1.969 -1.051 1.00 0.00 C ATOM 379 O LYS A 28 4.491 2.452 -1.479 1.00 0.00 O ATOM 380 CB LYS A 28 3.347 -0.136 0.407 1.00 0.00 C ATOM 381 CG LYS A 28 3.999 -0.661 1.687 1.00 0.00 C ATOM 382 CD LYS A 28 4.404 -2.129 1.533 1.00 0.00 C ATOM 383 CE LYS A 28 3.283 -2.942 0.882 1.00 0.00 C ATOM 384 NZ LYS A 28 3.717 -4.339 0.662 1.00 0.00 N ATOM 0 H LYS A 28 1.429 1.302 1.138 1.00 0.00 H new ATOM 0 HA LYS A 28 4.294 1.685 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.316 -0.486 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.869 -0.537 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.877 -0.061 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.306 -0.557 2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.308 -2.199 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.642 -2.549 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.398 -2.926 1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.001 -2.488 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.882 -4.951 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.289 -4.392 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.286 -4.658 1.472 1.00 0.00 H new ATOM 398 N ALA A 29 2.314 1.897 -1.740 1.00 0.00 N ATOM 399 CA ALA A 29 2.233 2.405 -3.099 1.00 0.00 C ATOM 400 C ALA A 29 2.730 3.851 -3.129 1.00 0.00 C ATOM 401 O ALA A 29 3.777 4.140 -3.707 1.00 0.00 O ATOM 402 CB ALA A 29 0.796 2.271 -3.609 1.00 0.00 C ATOM 0 H ALA A 29 1.448 1.495 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 29 2.871 1.824 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.735 2.652 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.501 1.222 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.127 2.844 -2.967 1.00 0.00 H new ATOM 408 N VAL A 30 1.956 4.723 -2.499 1.00 0.00 N ATOM 409 CA VAL A 30 2.304 6.132 -2.447 1.00 0.00 C ATOM 410 C VAL A 30 3.801 6.273 -2.164 1.00 0.00 C ATOM 411 O VAL A 30 4.526 6.902 -2.934 1.00 0.00 O ATOM 412 CB VAL A 30 1.431 6.849 -1.415 1.00 0.00 C ATOM 413 CG1 VAL A 30 1.796 8.332 -1.324 1.00 0.00 C ATOM 414 CG2 VAL A 30 -0.054 6.668 -1.733 1.00 0.00 C ATOM 0 H VAL A 30 1.089 4.480 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 30 2.108 6.609 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 30 1.622 6.397 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.161 8.818 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.840 8.432 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.647 8.804 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.652 7.187 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.268 7.081 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.302 5.607 -1.723 1.00 0.00 H new ATOM 424 N TYR A 31 4.221 5.676 -1.058 1.00 0.00 N ATOM 425 CA TYR A 31 5.618 5.727 -0.664 1.00 0.00 C ATOM 426 C TYR A 31 6.532 5.373 -1.839 1.00 0.00 C ATOM 427 O TYR A 31 7.222 6.238 -2.376 1.00 0.00 O ATOM 428 CB TYR A 31 5.786 4.673 0.433 1.00 0.00 C ATOM 429 CG TYR A 31 7.238 4.437 0.852 1.00 0.00 C ATOM 430 CD1 TYR A 31 8.021 5.499 1.257 1.00 0.00 C ATOM 431 CD2 TYR A 31 7.766 3.162 0.824 1.00 0.00 C ATOM 432 CE1 TYR A 31 9.388 5.276 1.652 1.00 0.00 C ATOM 433 CE2 TYR A 31 9.133 2.939 1.219 1.00 0.00 C ATOM 434 CZ TYR A 31 9.876 4.007 1.613 1.00 0.00 C ATOM 435 OH TYR A 31 11.167 3.797 1.986 1.00 0.00 O ATOM 0 H TYR A 31 3.618 5.154 -0.422 1.00 0.00 H new ATOM 0 HA TYR A 31 5.885 6.728 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.211 4.979 1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.361 3.731 0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.609 6.497 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.154 2.331 0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.011 6.098 1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.558 1.946 1.203 1.00 0.00 H new ATOM 0 HH TYR A 31 11.379 2.843 1.909 1.00 0.00 H new ATOM 445 N TYR A 32 6.508 4.099 -2.203 1.00 0.00 N ATOM 446 CA TYR A 32 7.325 3.620 -3.305 1.00 0.00 C ATOM 447 C TYR A 32 7.244 4.569 -4.502 1.00 0.00 C ATOM 448 O TYR A 32 8.263 5.085 -4.960 1.00 0.00 O ATOM 449 CB TYR A 32 6.741 2.263 -3.705 1.00 0.00 C ATOM 450 CG TYR A 32 7.099 1.125 -2.747 1.00 0.00 C ATOM 451 CD1 TYR A 32 8.421 0.871 -2.441 1.00 0.00 C ATOM 452 CD2 TYR A 32 6.101 0.352 -2.191 1.00 0.00 C ATOM 453 CE1 TYR A 32 8.758 -0.200 -1.540 1.00 0.00 C ATOM 454 CE2 TYR A 32 6.438 -0.720 -1.290 1.00 0.00 C ATOM 455 CZ TYR A 32 7.750 -0.943 -1.009 1.00 0.00 C ATOM 456 OH TYR A 32 8.068 -1.955 -0.158 1.00 0.00 O ATOM 0 H TYR A 32 5.936 3.384 -1.754 1.00 0.00 H new ATOM 0 HA TYR A 32 8.371 3.553 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.656 2.348 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.094 2.008 -4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.202 1.476 -2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.067 0.551 -2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.788 -0.409 -1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.667 -1.333 -0.848 1.00 0.00 H new ATOM 0 HH TYR A 32 8.895 -1.733 0.320 1.00 0.00 H new ATOM 466 N THR A 33 6.023 4.772 -4.974 1.00 0.00 N ATOM 467 CA THR A 33 5.795 5.651 -6.108 1.00 0.00 C ATOM 468 C THR A 33 6.315 7.058 -5.806 1.00 0.00 C ATOM 469 O THR A 33 6.616 7.822 -6.721 1.00 0.00 O ATOM 470 CB THR A 33 4.303 5.613 -6.444 1.00 0.00 C ATOM 471 OG1 THR A 33 3.678 6.219 -5.317 1.00 0.00 O ATOM 472 CG2 THR A 33 3.743 4.189 -6.460 1.00 0.00 C ATOM 0 H THR A 33 5.181 4.343 -4.591 1.00 0.00 H new ATOM 0 HA THR A 33 6.348 5.316 -6.985 1.00 0.00 H new ATOM 0 HB THR A 33 4.138 6.079 -7.415 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.820 5.660 -4.525 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.681 4.218 -6.704 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.271 3.599 -7.209 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.878 3.734 -5.479 1.00 0.00 H new ATOM 480 N GLY A 34 6.402 7.357 -4.518 1.00 0.00 N ATOM 481 CA GLY A 34 6.880 8.659 -4.083 1.00 0.00 C ATOM 482 C GLY A 34 5.800 9.727 -4.264 1.00 0.00 C ATOM 483 O GLY A 34 6.096 10.855 -4.656 1.00 0.00 O ATOM 0 H GLY A 34 6.150 6.721 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.176 8.610 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.768 8.934 -4.653 1.00 0.00 H new ATOM 487 N ASN A 35 4.569 9.335 -3.969 1.00 0.00 N ATOM 488 CA ASN A 35 3.443 10.245 -4.094 1.00 0.00 C ATOM 489 C ASN A 35 3.465 10.890 -5.481 1.00 0.00 C ATOM 490 O ASN A 35 4.191 11.857 -5.709 1.00 0.00 O ATOM 491 CB ASN A 35 3.520 11.362 -3.052 1.00 0.00 C ATOM 492 CG ASN A 35 2.152 12.016 -2.847 1.00 0.00 C ATOM 493 OD1 ASN A 35 1.196 11.750 -3.556 1.00 0.00 O ATOM 494 ND2 ASN A 35 2.113 12.884 -1.840 1.00 0.00 N ATOM 0 H ASN A 35 4.327 8.399 -3.644 1.00 0.00 H new ATOM 0 HA ASN A 35 2.528 9.672 -3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.879 10.957 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.242 12.113 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.245 13.374 -1.622 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.951 13.060 -1.286 1.00 0.00 H new ATOM 501 N SER A 36 2.662 10.328 -6.373 1.00 0.00 N ATOM 502 CA SER A 36 2.581 10.836 -7.732 1.00 0.00 C ATOM 503 C SER A 36 1.172 10.621 -8.287 1.00 0.00 C ATOM 504 O SER A 36 1.009 10.146 -9.410 1.00 0.00 O ATOM 505 CB SER A 36 3.616 10.161 -8.635 1.00 0.00 C ATOM 506 OG SER A 36 4.919 10.708 -8.454 1.00 0.00 O ATOM 0 H SER A 36 2.062 9.526 -6.181 1.00 0.00 H new ATOM 0 HA SER A 36 2.798 11.904 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.639 9.092 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.317 10.274 -9.677 1.00 0.00 H new ATOM 0 HG SER A 36 4.928 11.273 -7.654 1.00 0.00 H new ATOM 512 N GLY A 37 0.189 10.981 -7.475 1.00 0.00 N ATOM 513 CA GLY A 37 -1.201 10.833 -7.871 1.00 0.00 C ATOM 514 C GLY A 37 -1.753 9.473 -7.439 1.00 0.00 C ATOM 515 O GLY A 37 -0.994 8.582 -7.062 1.00 0.00 O ATOM 0 H GLY A 37 0.328 11.375 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.797 11.629 -7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.288 10.938 -8.952 1.00 0.00 H new ATOM 519 N ALA A 38 -3.071 9.357 -7.507 1.00 0.00 N ATOM 520 CA ALA A 38 -3.734 8.120 -7.127 1.00 0.00 C ATOM 521 C ALA A 38 -3.550 7.086 -8.239 1.00 0.00 C ATOM 522 O ALA A 38 -3.110 5.966 -7.984 1.00 0.00 O ATOM 523 CB ALA A 38 -5.209 8.401 -6.831 1.00 0.00 C ATOM 0 H ALA A 38 -3.698 10.099 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.291 7.711 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.706 7.474 -6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.286 9.119 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.687 8.810 -7.721 1.00 0.00 H new ATOM 529 N GLU A 39 -3.896 7.498 -9.450 1.00 0.00 N ATOM 530 CA GLU A 39 -3.774 6.620 -10.602 1.00 0.00 C ATOM 531 C GLU A 39 -2.437 5.879 -10.566 1.00 0.00 C ATOM 532 O GLU A 39 -2.402 4.651 -10.630 1.00 0.00 O ATOM 533 CB GLU A 39 -3.931 7.404 -11.907 1.00 0.00 C ATOM 534 CG GLU A 39 -5.241 7.042 -12.610 1.00 0.00 C ATOM 535 CD GLU A 39 -5.275 7.608 -14.031 1.00 0.00 C ATOM 536 OE1 GLU A 39 -5.232 8.852 -14.147 1.00 0.00 O ATOM 537 OE2 GLU A 39 -5.344 6.784 -14.969 1.00 0.00 O ATOM 0 H GLU A 39 -4.261 8.428 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.576 5.883 -10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.910 8.473 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.089 7.192 -12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.352 5.958 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.084 7.432 -12.039 1.00 0.00 H new ATOM 544 N ALA A 40 -1.368 6.655 -10.463 1.00 0.00 N ATOM 545 CA ALA A 40 -0.032 6.087 -10.417 1.00 0.00 C ATOM 546 C ALA A 40 0.067 5.122 -9.233 1.00 0.00 C ATOM 547 O ALA A 40 0.430 3.959 -9.405 1.00 0.00 O ATOM 548 CB ALA A 40 1.000 7.214 -10.337 1.00 0.00 C ATOM 0 H ALA A 40 -1.400 7.673 -10.410 1.00 0.00 H new ATOM 0 HA ALA A 40 0.174 5.519 -11.324 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.003 6.788 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.908 7.854 -11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.825 7.804 -9.437 1.00 0.00 H new ATOM 554 N ALA A 41 -0.261 5.641 -8.059 1.00 0.00 N ATOM 555 CA ALA A 41 -0.214 4.840 -6.848 1.00 0.00 C ATOM 556 C ALA A 41 -0.979 3.534 -7.075 1.00 0.00 C ATOM 557 O ALA A 41 -0.430 2.449 -6.887 1.00 0.00 O ATOM 558 CB ALA A 41 -0.777 5.649 -5.678 1.00 0.00 C ATOM 0 H ALA A 41 -0.560 6.606 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 41 0.815 4.581 -6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.742 5.048 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.181 6.551 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.810 5.925 -5.890 1.00 0.00 H new ATOM 564 N MET A 42 -2.233 3.682 -7.475 1.00 0.00 N ATOM 565 CA MET A 42 -3.078 2.528 -7.730 1.00 0.00 C ATOM 566 C MET A 42 -2.342 1.484 -8.572 1.00 0.00 C ATOM 567 O MET A 42 -2.238 0.323 -8.177 1.00 0.00 O ATOM 568 CB MET A 42 -4.345 2.974 -8.463 1.00 0.00 C ATOM 569 CG MET A 42 -5.207 3.871 -7.572 1.00 0.00 C ATOM 570 SD MET A 42 -6.100 5.048 -8.573 1.00 0.00 S ATOM 571 CE MET A 42 -7.595 5.202 -7.609 1.00 0.00 C ATOM 0 H MET A 42 -2.684 4.584 -7.629 1.00 0.00 H new ATOM 0 HA MET A 42 -3.341 2.076 -6.774 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.074 3.511 -9.372 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.919 2.100 -8.769 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.907 3.263 -6.999 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.578 4.396 -6.853 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.240 5.958 -8.056 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.116 4.245 -7.591 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.342 5.497 -6.591 1.00 0.00 H new ATOM 581 N ASN A 43 -1.850 1.934 -9.717 1.00 0.00 N ATOM 582 CA ASN A 43 -1.126 1.053 -10.618 1.00 0.00 C ATOM 583 C ASN A 43 -0.185 0.161 -9.806 1.00 0.00 C ATOM 584 O ASN A 43 -0.284 -1.064 -9.861 1.00 0.00 O ATOM 585 CB ASN A 43 -0.279 1.854 -11.609 1.00 0.00 C ATOM 586 CG ASN A 43 -0.377 1.263 -13.017 1.00 0.00 C ATOM 587 OD1 ASN A 43 -0.484 0.063 -13.208 1.00 0.00 O ATOM 588 ND2 ASN A 43 -0.333 2.170 -13.989 1.00 0.00 N ATOM 0 H ASN A 43 -1.938 2.897 -10.041 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.856 0.458 -11.166 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.612 2.892 -11.622 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.761 1.858 -11.284 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.390 1.876 -14.964 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.242 3.160 -13.759 1.00 0.00 H new ATOM 595 N TRP A 44 0.706 0.809 -9.071 1.00 0.00 N ATOM 596 CA TRP A 44 1.663 0.089 -8.248 1.00 0.00 C ATOM 597 C TRP A 44 0.903 -0.984 -7.467 1.00 0.00 C ATOM 598 O TRP A 44 1.377 -2.111 -7.331 1.00 0.00 O ATOM 599 CB TRP A 44 2.441 1.049 -7.345 1.00 0.00 C ATOM 600 CG TRP A 44 3.531 0.373 -6.511 1.00 0.00 C ATOM 601 CD1 TRP A 44 4.841 0.286 -6.780 1.00 0.00 C ATOM 602 CD2 TRP A 44 3.351 -0.311 -5.253 1.00 0.00 C ATOM 603 NE1 TRP A 44 5.515 -0.402 -5.792 1.00 0.00 N ATOM 604 CE2 TRP A 44 4.581 -0.776 -4.834 1.00 0.00 C ATOM 605 CE3 TRP A 44 2.188 -0.530 -4.494 1.00 0.00 C ATOM 606 CZ2 TRP A 44 4.766 -1.489 -3.643 1.00 0.00 C ATOM 607 CZ3 TRP A 44 2.389 -1.244 -3.307 1.00 0.00 C ATOM 608 CH2 TRP A 44 3.621 -1.719 -2.871 1.00 0.00 C ATOM 0 H TRP A 44 0.786 1.825 -9.028 1.00 0.00 H new ATOM 0 HA TRP A 44 2.414 -0.400 -8.868 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.898 1.823 -7.962 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.742 1.548 -6.674 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.310 0.702 -7.659 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.515 -0.600 -5.769 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.216 -0.175 -4.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.739 -1.842 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.527 -1.440 -2.686 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.694 -2.263 -1.941 1.00 0.00 H new ATOM 619 N VAL A 45 -0.264 -0.596 -6.973 1.00 0.00 N ATOM 620 CA VAL A 45 -1.094 -1.511 -6.208 1.00 0.00 C ATOM 621 C VAL A 45 -1.623 -2.608 -7.135 1.00 0.00 C ATOM 622 O VAL A 45 -1.523 -3.793 -6.819 1.00 0.00 O ATOM 623 CB VAL A 45 -2.209 -0.738 -5.500 1.00 0.00 C ATOM 624 CG1 VAL A 45 -2.917 -1.619 -4.469 1.00 0.00 C ATOM 625 CG2 VAL A 45 -1.665 0.537 -4.851 1.00 0.00 C ATOM 0 H VAL A 45 -0.654 0.339 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.508 -1.998 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.943 -0.445 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.705 -1.046 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.354 -2.484 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.197 -1.956 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.477 1.068 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.902 0.275 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.228 1.177 -5.617 1.00 0.00 H new ATOM 635 N MET A 46 -2.174 -2.174 -8.259 1.00 0.00 N ATOM 636 CA MET A 46 -2.719 -3.105 -9.233 1.00 0.00 C ATOM 637 C MET A 46 -1.662 -4.122 -9.670 1.00 0.00 C ATOM 638 O MET A 46 -1.997 -5.225 -10.099 1.00 0.00 O ATOM 639 CB MET A 46 -3.219 -2.331 -10.454 1.00 0.00 C ATOM 640 CG MET A 46 -4.271 -1.295 -10.054 1.00 0.00 C ATOM 641 SD MET A 46 -5.582 -2.081 -9.132 1.00 0.00 S ATOM 642 CE MET A 46 -5.753 -0.921 -7.786 1.00 0.00 C ATOM 0 H MET A 46 -2.255 -1.191 -8.517 1.00 0.00 H new ATOM 0 HA MET A 46 -3.545 -3.644 -8.770 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.381 -1.834 -10.942 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.644 -3.025 -11.180 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.811 -0.511 -9.452 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.678 -0.816 -10.944 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.749 -1.010 -7.353 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.005 -1.136 -7.023 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.609 0.093 -8.159 1.00 0.00 H new ATOM 652 N SER A 47 -0.408 -3.714 -9.545 1.00 0.00 N ATOM 653 CA SER A 47 0.700 -4.576 -9.921 1.00 0.00 C ATOM 654 C SER A 47 1.109 -5.451 -8.735 1.00 0.00 C ATOM 655 O SER A 47 1.284 -6.660 -8.882 1.00 0.00 O ATOM 656 CB SER A 47 1.894 -3.755 -10.412 1.00 0.00 C ATOM 657 OG SER A 47 1.994 -3.755 -11.833 1.00 0.00 O ATOM 0 H SER A 47 -0.134 -2.798 -9.189 1.00 0.00 H new ATOM 0 HA SER A 47 0.372 -5.216 -10.740 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.800 -2.729 -10.055 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.812 -4.158 -9.984 1.00 0.00 H new ATOM 0 HG SER A 47 2.767 -3.219 -12.107 1.00 0.00 H new ATOM 663 N HIS A 48 1.249 -4.807 -7.586 1.00 0.00 N ATOM 664 CA HIS A 48 1.634 -5.512 -6.375 1.00 0.00 C ATOM 665 C HIS A 48 0.550 -6.525 -6.004 1.00 0.00 C ATOM 666 O HIS A 48 0.831 -7.712 -5.848 1.00 0.00 O ATOM 667 CB HIS A 48 1.936 -4.526 -5.245 1.00 0.00 C ATOM 668 CG HIS A 48 3.390 -4.133 -5.143 1.00 0.00 C ATOM 669 ND1 HIS A 48 4.202 -4.529 -4.095 1.00 0.00 N ATOM 670 CD2 HIS A 48 4.169 -3.378 -5.970 1.00 0.00 C ATOM 671 CE1 HIS A 48 5.413 -4.028 -4.292 1.00 0.00 C ATOM 672 NE2 HIS A 48 5.391 -3.315 -5.454 1.00 0.00 N ATOM 0 H HIS A 48 1.103 -3.804 -7.468 1.00 0.00 H new ATOM 0 HA HIS A 48 2.556 -6.067 -6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.337 -3.627 -5.392 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.623 -4.967 -4.299 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.847 -2.911 -6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.268 -4.161 -3.645 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.182 -2.816 -5.860 1.00 0.00 H new ATOM 680 N MET A 49 -0.668 -6.019 -5.873 1.00 0.00 N ATOM 681 CA MET A 49 -1.796 -6.866 -5.524 1.00 0.00 C ATOM 682 C MET A 49 -1.724 -8.206 -6.258 1.00 0.00 C ATOM 683 O MET A 49 -2.224 -9.216 -5.764 1.00 0.00 O ATOM 684 CB MET A 49 -3.101 -6.153 -5.887 1.00 0.00 C ATOM 685 CG MET A 49 -3.295 -6.107 -7.404 1.00 0.00 C ATOM 686 SD MET A 49 -4.955 -5.576 -7.790 1.00 0.00 S ATOM 687 CE MET A 49 -5.864 -7.042 -7.332 1.00 0.00 C ATOM 0 H MET A 49 -0.898 -5.034 -6.002 1.00 0.00 H new ATOM 0 HA MET A 49 -1.763 -7.059 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.943 -6.669 -5.424 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.089 -5.139 -5.487 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.573 -5.424 -7.851 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.110 -7.092 -7.833 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.792 -7.088 -7.902 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.262 -7.925 -7.547 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.094 -7.010 -6.267 1.00 0.00 H new ATOM 697 N ASP A 50 -1.099 -8.172 -7.425 1.00 0.00 N ATOM 698 CA ASP A 50 -0.956 -9.372 -8.232 1.00 0.00 C ATOM 699 C ASP A 50 -0.396 -10.501 -7.365 1.00 0.00 C ATOM 700 O ASP A 50 -0.720 -11.669 -7.574 1.00 0.00 O ATOM 701 CB ASP A 50 0.014 -9.142 -9.393 1.00 0.00 C ATOM 702 CG ASP A 50 0.123 -10.302 -10.384 1.00 0.00 C ATOM 703 OD1 ASP A 50 0.223 -11.452 -9.904 1.00 0.00 O ATOM 704 OD2 ASP A 50 0.103 -10.014 -11.600 1.00 0.00 O ATOM 0 H ASP A 50 -0.686 -7.333 -7.831 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.938 -9.631 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.297 -8.249 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.004 -8.938 -8.985 1.00 0.00 H new ATOM 709 N ASP A 51 0.436 -10.113 -6.409 1.00 0.00 N ATOM 710 CA ASP A 51 1.044 -11.078 -5.509 1.00 0.00 C ATOM 711 C ASP A 51 0.334 -11.023 -4.155 1.00 0.00 C ATOM 712 O ASP A 51 -0.220 -9.991 -3.781 1.00 0.00 O ATOM 713 CB ASP A 51 2.523 -10.762 -5.281 1.00 0.00 C ATOM 714 CG ASP A 51 3.499 -11.605 -6.103 1.00 0.00 C ATOM 715 OD1 ASP A 51 3.511 -12.836 -5.884 1.00 0.00 O ATOM 716 OD2 ASP A 51 4.212 -11.001 -6.933 1.00 0.00 O ATOM 0 H ASP A 51 0.703 -9.143 -6.238 1.00 0.00 H new ATOM 0 HA ASP A 51 0.952 -12.066 -5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.694 -9.710 -5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.749 -10.899 -4.224 1.00 0.00 H new ATOM 721 N PRO A 52 0.376 -12.178 -3.437 1.00 0.00 N ATOM 722 CA PRO A 52 -0.257 -12.272 -2.133 1.00 0.00 C ATOM 723 C PRO A 52 0.568 -11.542 -1.070 1.00 0.00 C ATOM 724 O PRO A 52 0.113 -11.361 0.058 1.00 0.00 O ATOM 725 CB PRO A 52 -0.386 -13.762 -1.864 1.00 0.00 C ATOM 726 CG PRO A 52 0.592 -14.442 -2.808 1.00 0.00 C ATOM 727 CD PRO A 52 1.022 -13.421 -3.848 1.00 0.00 C ATOM 0 HA PRO A 52 -1.234 -11.790 -2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.151 -13.993 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.405 -14.105 -2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.457 -14.815 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.124 -15.302 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.106 -13.314 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.708 -13.718 -4.848 1.00 0.00 H new ATOM 735 N ASP A 53 1.766 -11.142 -1.469 1.00 0.00 N ATOM 736 CA ASP A 53 2.659 -10.436 -0.565 1.00 0.00 C ATOM 737 C ASP A 53 2.457 -8.929 -0.731 1.00 0.00 C ATOM 738 O ASP A 53 3.374 -8.145 -0.487 1.00 0.00 O ATOM 739 CB ASP A 53 4.123 -10.754 -0.877 1.00 0.00 C ATOM 740 CG ASP A 53 4.733 -9.937 -2.017 1.00 0.00 C ATOM 741 OD1 ASP A 53 4.613 -10.397 -3.173 1.00 0.00 O ATOM 742 OD2 ASP A 53 5.307 -8.870 -1.707 1.00 0.00 O ATOM 0 H ASP A 53 2.140 -11.293 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 53 2.430 -10.754 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.715 -10.591 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.205 -11.812 -1.125 1.00 0.00 H new ATOM 747 N PHE A 54 1.251 -8.567 -1.143 1.00 0.00 N ATOM 748 CA PHE A 54 0.917 -7.167 -1.344 1.00 0.00 C ATOM 749 C PHE A 54 0.377 -6.542 -0.056 1.00 0.00 C ATOM 750 O PHE A 54 0.843 -5.485 0.367 1.00 0.00 O ATOM 751 CB PHE A 54 -0.172 -7.117 -2.417 1.00 0.00 C ATOM 752 CG PHE A 54 -1.057 -5.870 -2.347 1.00 0.00 C ATOM 753 CD1 PHE A 54 -0.499 -4.634 -2.442 1.00 0.00 C ATOM 754 CD2 PHE A 54 -2.402 -5.999 -2.190 1.00 0.00 C ATOM 755 CE1 PHE A 54 -1.321 -3.477 -2.377 1.00 0.00 C ATOM 756 CE2 PHE A 54 -3.223 -4.843 -2.124 1.00 0.00 C ATOM 757 CZ PHE A 54 -2.665 -3.606 -2.219 1.00 0.00 C ATOM 0 H PHE A 54 0.493 -9.219 -1.343 1.00 0.00 H new ATOM 0 HA PHE A 54 1.806 -6.611 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.298 -7.162 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.801 -8.002 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.569 -4.532 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.845 -6.981 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.878 -2.495 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.291 -4.946 -1.998 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.290 -2.726 -2.169 1.00 0.00 H new ATOM 767 N ALA A 55 -0.597 -7.222 0.531 1.00 0.00 N ATOM 768 CA ALA A 55 -1.205 -6.746 1.762 1.00 0.00 C ATOM 769 C ALA A 55 -0.140 -6.681 2.859 1.00 0.00 C ATOM 770 O ALA A 55 -0.156 -5.775 3.691 1.00 0.00 O ATOM 771 CB ALA A 55 -2.375 -7.657 2.138 1.00 0.00 C ATOM 0 H ALA A 55 -0.980 -8.099 0.177 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.604 -5.740 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.832 -7.301 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.116 -7.646 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.012 -8.675 2.282 1.00 0.00 H new ATOM 777 N ASN A 56 0.759 -7.654 2.825 1.00 0.00 N ATOM 778 CA ASN A 56 1.828 -7.718 3.807 1.00 0.00 C ATOM 779 C ASN A 56 2.361 -6.308 4.068 1.00 0.00 C ATOM 780 O ASN A 56 2.230 -5.425 3.222 1.00 0.00 O ATOM 781 CB ASN A 56 2.990 -8.576 3.300 1.00 0.00 C ATOM 782 CG ASN A 56 2.484 -9.902 2.730 1.00 0.00 C ATOM 783 OD1 ASN A 56 1.298 -10.112 2.535 1.00 0.00 O ATOM 784 ND2 ASN A 56 3.447 -10.783 2.473 1.00 0.00 N ATOM 0 H ASN A 56 0.769 -8.404 2.133 1.00 0.00 H new ATOM 0 HA ASN A 56 1.423 -8.159 4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.540 -8.032 2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.687 -8.769 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.212 -11.698 2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.421 -10.543 2.660 1.00 0.00 H new ATOM 791 N PRO A 57 2.966 -6.136 5.274 1.00 0.00 N ATOM 792 CA PRO A 57 3.518 -4.848 5.657 1.00 0.00 C ATOM 793 C PRO A 57 4.831 -4.574 4.921 1.00 0.00 C ATOM 794 O PRO A 57 5.268 -5.381 4.101 1.00 0.00 O ATOM 795 CB PRO A 57 3.689 -4.927 7.166 1.00 0.00 C ATOM 796 CG PRO A 57 3.664 -6.407 7.512 1.00 0.00 C ATOM 797 CD PRO A 57 3.139 -7.160 6.301 1.00 0.00 C ATOM 0 HA PRO A 57 2.870 -4.015 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.628 -4.469 7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.889 -4.393 7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.663 -6.755 7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.027 -6.586 8.378 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.840 -7.930 5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.197 -7.661 6.524 1.00 0.00 H new ATOM 805 N LEU A 58 5.424 -3.432 5.239 1.00 0.00 N ATOM 806 CA LEU A 58 6.678 -3.042 4.618 1.00 0.00 C ATOM 807 C LEU A 58 7.786 -3.993 5.073 1.00 0.00 C ATOM 808 O LEU A 58 7.634 -4.697 6.071 1.00 0.00 O ATOM 809 CB LEU A 58 6.978 -1.568 4.899 1.00 0.00 C ATOM 810 CG LEU A 58 6.644 -0.588 3.773 1.00 0.00 C ATOM 811 CD1 LEU A 58 5.603 0.436 4.229 1.00 0.00 C ATOM 812 CD2 LEU A 58 7.910 0.082 3.235 1.00 0.00 C ATOM 0 H LEU A 58 5.059 -2.765 5.919 1.00 0.00 H new ATOM 0 HA LEU A 58 6.610 -3.129 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.425 -1.269 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.038 -1.472 5.134 1.00 0.00 H new ATOM 0 HG LEU A 58 6.204 -1.151 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.383 1.121 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.690 -0.081 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.993 0.998 5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.644 0.774 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.402 0.629 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.587 -0.679 2.846 1.00 0.00 H new ATOM 824 N ILE A 59 8.876 -3.985 4.320 1.00 0.00 N ATOM 825 CA ILE A 59 10.009 -4.838 4.633 1.00 0.00 C ATOM 826 C ILE A 59 10.230 -4.849 6.147 1.00 0.00 C ATOM 827 O ILE A 59 10.147 -3.809 6.798 1.00 0.00 O ATOM 828 CB ILE A 59 11.241 -4.408 3.835 1.00 0.00 C ATOM 829 CG1 ILE A 59 10.988 -4.525 2.331 1.00 0.00 C ATOM 830 CG2 ILE A 59 12.479 -5.194 4.271 1.00 0.00 C ATOM 831 CD1 ILE A 59 11.025 -3.150 1.660 1.00 0.00 C ATOM 0 H ILE A 59 8.998 -3.400 3.493 1.00 0.00 H new ATOM 0 HA ILE A 59 9.806 -5.866 4.332 1.00 0.00 H new ATOM 0 HB ILE A 59 11.436 -3.357 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 59 11.740 -5.173 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.019 -4.993 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.341 -4.869 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.669 -5.016 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.311 -6.258 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.842 -3.262 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.256 -2.512 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.004 -2.696 1.815 1.00 0.00 H new ATOM 843 N LEU A 60 10.507 -6.038 6.664 1.00 0.00 N ATOM 844 CA LEU A 60 10.741 -6.198 8.089 1.00 0.00 C ATOM 845 C LEU A 60 12.247 -6.251 8.352 1.00 0.00 C ATOM 846 O LEU A 60 13.022 -6.621 7.471 1.00 0.00 O ATOM 847 CB LEU A 60 9.980 -7.413 8.623 1.00 0.00 C ATOM 848 CG LEU A 60 8.466 -7.248 8.765 1.00 0.00 C ATOM 849 CD1 LEU A 60 7.743 -8.573 8.512 1.00 0.00 C ATOM 850 CD2 LEU A 60 8.104 -6.648 10.125 1.00 0.00 C ATOM 0 H LEU A 60 10.574 -6.899 6.121 1.00 0.00 H new ATOM 0 HA LEU A 60 10.352 -5.340 8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.173 -8.257 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.390 -7.673 9.599 1.00 0.00 H new ATOM 0 HG LEU A 60 8.127 -6.546 8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.668 -8.427 8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.963 -8.921 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.082 -9.316 9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.022 -6.542 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.459 -7.305 10.919 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.573 -5.669 10.227 1.00 0.00 H new ATOM 862 N PRO A 61 12.627 -5.866 9.599 1.00 0.00 N ATOM 863 CA PRO A 61 14.027 -5.866 9.989 1.00 0.00 C ATOM 864 C PRO A 61 14.526 -7.290 10.239 1.00 0.00 C ATOM 865 O PRO A 61 14.679 -7.706 11.387 1.00 0.00 O ATOM 866 CB PRO A 61 14.090 -4.988 11.228 1.00 0.00 C ATOM 867 CG PRO A 61 12.667 -4.908 11.756 1.00 0.00 C ATOM 868 CD PRO A 61 11.737 -5.422 10.668 1.00 0.00 C ATOM 0 HA PRO A 61 14.681 -5.478 9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.760 -5.414 11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.473 -3.997 10.985 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.562 -5.505 12.662 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.415 -3.881 12.020 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.116 -6.241 11.032 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.062 -4.639 10.322 1.00 0.00 H new ATOM 876 N GLY A 62 14.766 -8.000 9.146 1.00 0.00 N ATOM 877 CA GLY A 62 15.244 -9.369 9.232 1.00 0.00 C ATOM 878 C GLY A 62 14.186 -10.282 9.855 1.00 0.00 C ATOM 879 O GLY A 62 14.255 -10.597 11.042 1.00 0.00 O ATOM 0 H GLY A 62 14.638 -7.652 8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.501 -9.731 8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.155 -9.403 9.829 1.00 0.00 H new ATOM 883 N SER A 63 13.232 -10.680 9.026 1.00 0.00 N ATOM 884 CA SER A 63 12.161 -11.550 9.481 1.00 0.00 C ATOM 885 C SER A 63 12.718 -12.614 10.429 1.00 0.00 C ATOM 886 O SER A 63 13.639 -13.348 10.072 1.00 0.00 O ATOM 887 CB SER A 63 11.451 -12.212 8.299 1.00 0.00 C ATOM 888 OG SER A 63 10.287 -11.491 7.903 1.00 0.00 O ATOM 0 H SER A 63 13.179 -10.416 8.042 1.00 0.00 H new ATOM 0 HA SER A 63 11.431 -10.943 10.016 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.138 -12.282 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.172 -13.231 8.568 1.00 0.00 H new ATOM 0 HG SER A 63 9.863 -11.945 7.145 1.00 0.00 H new ATOM 894 N SER A 64 12.137 -12.664 11.619 1.00 0.00 N ATOM 895 CA SER A 64 12.563 -13.626 12.621 1.00 0.00 C ATOM 896 C SER A 64 11.405 -14.560 12.976 1.00 0.00 C ATOM 897 O SER A 64 11.523 -15.777 12.848 1.00 0.00 O ATOM 898 CB SER A 64 13.081 -12.920 13.876 1.00 0.00 C ATOM 899 OG SER A 64 12.143 -11.975 14.382 1.00 0.00 O ATOM 0 H SER A 64 11.374 -12.053 11.912 1.00 0.00 H new ATOM 0 HA SER A 64 13.380 -14.215 12.205 1.00 0.00 H new ATOM 0 HB2 SER A 64 13.300 -13.661 14.645 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.018 -12.413 13.646 1.00 0.00 H new ATOM 0 HG SER A 64 12.510 -11.547 15.184 1.00 0.00 H new ATOM 905 N GLY A 65 10.312 -13.954 13.416 1.00 0.00 N ATOM 906 CA GLY A 65 9.133 -14.716 13.791 1.00 0.00 C ATOM 907 C GLY A 65 7.932 -14.329 12.927 1.00 0.00 C ATOM 908 O GLY A 65 7.088 -13.539 13.348 1.00 0.00 O ATOM 0 H GLY A 65 10.218 -12.944 13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.335 -15.782 13.683 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.901 -14.541 14.842 1.00 0.00 H new ATOM 912 N PRO A 66 7.891 -14.918 11.702 1.00 0.00 N ATOM 913 CA PRO A 66 6.807 -14.643 10.774 1.00 0.00 C ATOM 914 C PRO A 66 5.526 -15.361 11.200 1.00 0.00 C ATOM 915 O PRO A 66 5.581 -16.401 11.854 1.00 0.00 O ATOM 916 CB PRO A 66 7.323 -15.101 9.420 1.00 0.00 C ATOM 917 CG PRO A 66 8.485 -16.037 9.711 1.00 0.00 C ATOM 918 CD PRO A 66 8.873 -15.858 11.169 1.00 0.00 C ATOM 0 HA PRO A 66 6.535 -13.588 10.745 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.542 -15.612 8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.647 -14.252 8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.201 -17.071 9.516 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.330 -15.811 9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.845 -16.806 11.705 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.886 -15.468 11.264 1.00 0.00 H new ATOM 926 N GLY A 67 4.401 -14.778 10.812 1.00 0.00 N ATOM 927 CA GLY A 67 3.108 -15.349 11.145 1.00 0.00 C ATOM 928 C GLY A 67 2.221 -15.462 9.903 1.00 0.00 C ATOM 929 O GLY A 67 1.230 -14.745 9.776 1.00 0.00 O ATOM 0 H GLY A 67 4.359 -13.915 10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.246 -16.335 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.615 -14.729 11.893 1.00 0.00 H new ATOM 933 N SER A 68 2.610 -16.369 9.019 1.00 0.00 N ATOM 934 CA SER A 68 1.864 -16.585 7.791 1.00 0.00 C ATOM 935 C SER A 68 1.826 -18.077 7.457 1.00 0.00 C ATOM 936 O SER A 68 2.755 -18.814 7.787 1.00 0.00 O ATOM 937 CB SER A 68 2.472 -15.796 6.630 1.00 0.00 C ATOM 938 OG SER A 68 1.518 -15.534 5.604 1.00 0.00 O ATOM 0 H SER A 68 3.432 -16.963 9.129 1.00 0.00 H new ATOM 0 HA SER A 68 0.846 -16.227 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.872 -14.853 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.310 -16.354 6.212 1.00 0.00 H new ATOM 0 HG SER A 68 1.945 -15.027 4.882 1.00 0.00 H new ATOM 944 N SER A 69 0.744 -18.479 6.807 1.00 0.00 N ATOM 945 CA SER A 69 0.574 -19.870 6.424 1.00 0.00 C ATOM 946 C SER A 69 0.217 -19.965 4.940 1.00 0.00 C ATOM 947 O SER A 69 0.952 -20.568 4.158 1.00 0.00 O ATOM 948 CB SER A 69 -0.504 -20.547 7.274 1.00 0.00 C ATOM 949 OG SER A 69 -0.091 -21.829 7.738 1.00 0.00 O ATOM 0 H SER A 69 -0.024 -17.865 6.536 1.00 0.00 H new ATOM 0 HA SER A 69 1.516 -20.390 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.744 -19.913 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.417 -20.651 6.687 1.00 0.00 H new ATOM 0 HG SER A 69 -0.805 -22.227 8.278 1.00 0.00 H new ATOM 955 N GLY A 70 -0.911 -19.361 4.595 1.00 0.00 N ATOM 956 CA GLY A 70 -1.374 -19.370 3.218 1.00 0.00 C ATOM 957 C GLY A 70 -1.845 -20.767 2.807 1.00 0.00 C ATOM 958 O GLY A 70 -1.039 -21.603 2.401 1.00 0.00 O ATOM 0 H GLY A 70 -1.518 -18.862 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.191 -18.658 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.570 -19.045 2.558 1.00 0.00 H new ATOM 962 N PRO A 71 -3.182 -20.982 2.929 1.00 0.00 N ATOM 963 CA PRO A 71 -3.770 -22.262 2.574 1.00 0.00 C ATOM 964 C PRO A 71 -3.846 -22.429 1.055 1.00 0.00 C ATOM 965 O PRO A 71 -4.391 -21.573 0.360 1.00 0.00 O ATOM 966 CB PRO A 71 -5.135 -22.267 3.242 1.00 0.00 C ATOM 967 CG PRO A 71 -5.451 -20.813 3.555 1.00 0.00 C ATOM 968 CD PRO A 71 -4.166 -20.015 3.405 1.00 0.00 C ATOM 0 HA PRO A 71 -3.172 -23.108 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.890 -22.698 2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.123 -22.869 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.217 -20.434 2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.844 -20.717 4.567 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.290 -19.195 2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.861 -19.574 4.354 1.00 0.00 H new ATOM 976 N SER A 72 -3.293 -23.537 0.585 1.00 0.00 N ATOM 977 CA SER A 72 -3.291 -23.827 -0.839 1.00 0.00 C ATOM 978 C SER A 72 -4.722 -23.800 -1.379 1.00 0.00 C ATOM 979 O SER A 72 -5.038 -23.014 -2.271 1.00 0.00 O ATOM 980 CB SER A 72 -2.641 -25.182 -1.124 1.00 0.00 C ATOM 981 OG SER A 72 -2.547 -25.445 -2.522 1.00 0.00 O ATOM 0 H SER A 72 -2.843 -24.245 1.165 1.00 0.00 H new ATOM 0 HA SER A 72 -2.704 -23.060 -1.344 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.645 -25.206 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.221 -25.971 -0.645 1.00 0.00 H new ATOM 0 HG SER A 72 -2.125 -26.318 -2.663 1.00 0.00 H new ATOM 987 N SER A 73 -5.550 -24.669 -0.817 1.00 0.00 N ATOM 988 CA SER A 73 -6.940 -24.755 -1.232 1.00 0.00 C ATOM 989 C SER A 73 -7.824 -23.968 -0.263 1.00 0.00 C ATOM 990 O SER A 73 -7.436 -23.722 0.878 1.00 0.00 O ATOM 991 CB SER A 73 -7.402 -26.212 -1.309 1.00 0.00 C ATOM 992 OG SER A 73 -7.716 -26.602 -2.643 1.00 0.00 O ATOM 0 H SER A 73 -5.285 -25.320 -0.078 1.00 0.00 H new ATOM 0 HA SER A 73 -7.028 -24.321 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.620 -26.862 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.278 -26.349 -0.675 1.00 0.00 H new ATOM 0 HG SER A 73 -8.005 -27.538 -2.651 1.00 0.00 H new ATOM 998 N GLY A 74 -8.997 -23.595 -0.753 1.00 0.00 N ATOM 999 CA GLY A 74 -9.940 -22.840 0.055 1.00 0.00 C ATOM 1000 C GLY A 74 -11.250 -23.611 0.232 1.00 0.00 C ATOM 1001 O GLY A 74 -11.566 -24.062 1.332 1.00 0.00 O ATOM 0 H GLY A 74 -9.316 -23.801 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.502 -22.631 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.141 -21.878 -0.417 1.00 0.00 H new TER 1005 GLY A 74