USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 814 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 97 MET CE :methyl -122:sc= -3.09 (180deg=-5.04!) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -107:sc= -0.643 (180deg=0) USER MOD Set 2.1: A 93 ASN :FLIP amide:sc= 0.41 F(o=0.1,f=0.88) USER MOD Set 2.2: A 95 THR OG1 : rot 94:sc= 0.468 USER MOD Single : A 3 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-2.2!) USER MOD Single : A 4 SER OG : rot 32:sc= 0.164 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00237 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.353 F(o=-1.2,f=-0.35) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -74:sc= 1.72 USER MOD Single : A 32 THR OG1 : rot 80:sc= -0.83 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -56:sc= 0.28 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -6.34! F(o=-7.1,f=-6.3!) USER MOD Single : A 58 MET CE :methyl 177:sc= -5.8 (180deg=-5.98) USER MOD Single : A 59 MET CE :methyl -159:sc= -0.197 (180deg=-0.903) USER MOD Single : A 65 LYS NZ :NH3+ -122:sc= 1.31 (180deg=-3.36!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.525 K(o=-0.52,f=-2.7!) USER MOD Single : A 78 ASN : amide:sc= -0.076 X(o=-0.076,f=-0.076) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.23) USER MOD Single : A 88 MET CE :methyl -153:sc= -0.0149 (180deg=-0.136) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.525 K(o=-0.52,f=-4.2!) USER MOD Single : A 99 ASN : amide:sc= 0.749 K(o=0.75,f=-0.027) USER MOD Single : A 102 MET CE :methyl -173:sc= 0 (180deg=-0.0203) USER MOD Single : A 103 THR OG1 : rot 87:sc= 1.15 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -2.95! C(o=-2.9!,f=-3.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= -2.99 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -7.952 10.519 7.336 1.00 0.00 N ATOM 29 CA HIS A 3 -7.161 9.297 7.431 1.00 0.00 C ATOM 30 C HIS A 3 -8.056 8.059 7.419 1.00 0.00 C ATOM 31 O HIS A 3 -7.891 7.152 8.234 1.00 0.00 O ATOM 32 CB HIS A 3 -6.300 9.321 8.698 1.00 0.00 C ATOM 33 CG HIS A 3 -7.066 9.079 9.962 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.428 9.273 10.073 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.650 8.653 11.177 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.813 8.978 11.302 1.00 0.00 C ATOM 37 NE2 HIS A 3 -7.754 8.598 11.990 1.00 0.00 N ATOM 0 HA HIS A 3 -6.507 9.247 6.560 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.519 8.565 8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.801 10.288 8.767 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -9.041 9.594 9.324 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.637 8.403 11.455 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.823 9.038 11.679 1.00 0.00 H new ATOM 46 N SER A 4 -9.005 8.028 6.488 1.00 0.00 N ATOM 47 CA SER A 4 -9.921 6.899 6.373 1.00 0.00 C ATOM 48 C SER A 4 -10.837 7.055 5.161 1.00 0.00 C ATOM 49 O SER A 4 -11.472 8.094 4.982 1.00 0.00 O ATOM 50 CB SER A 4 -10.760 6.768 7.645 1.00 0.00 C ATOM 51 OG SER A 4 -11.432 7.980 7.940 1.00 0.00 O ATOM 0 H SER A 4 -9.159 8.769 5.805 1.00 0.00 H new ATOM 0 HA SER A 4 -9.326 5.995 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.488 5.966 7.523 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.118 6.492 8.481 1.00 0.00 H new ATOM 0 HG SER A 4 -11.645 8.447 7.105 1.00 0.00 H new ATOM 57 N GLY A 5 -10.905 6.013 4.338 1.00 0.00 N ATOM 58 CA GLY A 5 -11.750 6.048 3.161 1.00 0.00 C ATOM 59 C GLY A 5 -12.269 4.673 2.805 1.00 0.00 C ATOM 60 O GLY A 5 -11.667 3.666 3.176 1.00 0.00 O ATOM 0 H GLY A 5 -10.388 5.143 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.590 6.720 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.187 6.453 2.320 1.00 0.00 H new ATOM 64 N ALA A 6 -13.385 4.619 2.091 1.00 0.00 N ATOM 65 CA ALA A 6 -13.966 3.342 1.702 1.00 0.00 C ATOM 66 C ALA A 6 -13.118 2.665 0.634 1.00 0.00 C ATOM 67 O ALA A 6 -13.118 3.072 -0.528 1.00 0.00 O ATOM 68 CB ALA A 6 -15.394 3.536 1.215 1.00 0.00 C ATOM 0 H ALA A 6 -13.903 5.438 1.772 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.986 2.692 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.815 2.572 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.995 3.971 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.397 4.204 0.354 1.00 0.00 H new ATOM 74 N ALA A 7 -12.386 1.634 1.043 1.00 0.00 N ATOM 75 CA ALA A 7 -11.518 0.900 0.128 1.00 0.00 C ATOM 76 C ALA A 7 -12.054 -0.502 -0.139 1.00 0.00 C ATOM 77 O ALA A 7 -12.876 -1.020 0.617 1.00 0.00 O ATOM 78 CB ALA A 7 -10.099 0.836 0.684 1.00 0.00 C ATOM 0 H ALA A 7 -12.376 1.287 2.002 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.499 1.434 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.462 0.286 -0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.711 1.847 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.109 0.329 1.649 1.00 0.00 H new ATOM 84 N ILE A 8 -11.588 -1.107 -1.228 1.00 0.00 N ATOM 85 CA ILE A 8 -12.020 -2.446 -1.612 1.00 0.00 C ATOM 86 C ILE A 8 -10.895 -3.461 -1.437 1.00 0.00 C ATOM 87 O ILE A 8 -9.729 -3.159 -1.689 1.00 0.00 O ATOM 88 CB ILE A 8 -12.507 -2.465 -3.073 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.556 -1.362 -3.277 1.00 0.00 C ATOM 90 CG2 ILE A 8 -13.060 -3.839 -3.440 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.682 -1.734 -4.216 1.00 0.00 C ATOM 0 H ILE A 8 -10.908 -0.688 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.845 -2.722 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.665 -2.269 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.980 -1.098 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.059 -0.471 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.398 -3.830 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.279 -4.590 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.898 -4.080 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.376 -0.898 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.274 -1.969 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.209 -2.604 -3.825 1.00 0.00 H new ATOM 103 N PHE A 9 -11.253 -4.668 -1.006 1.00 0.00 N ATOM 104 CA PHE A 9 -10.273 -5.727 -0.802 1.00 0.00 C ATOM 105 C PHE A 9 -10.866 -7.086 -1.154 1.00 0.00 C ATOM 106 O PHE A 9 -11.892 -7.486 -0.608 1.00 0.00 O ATOM 107 CB PHE A 9 -9.789 -5.730 0.650 1.00 0.00 C ATOM 108 CG PHE A 9 -8.462 -6.409 0.838 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.378 -6.071 0.046 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.300 -7.384 1.810 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.155 -6.694 0.217 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.081 -8.011 1.985 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.007 -7.665 1.188 1.00 0.00 C ATOM 0 H PHE A 9 -12.214 -4.935 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.425 -5.537 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.715 -4.701 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.534 -6.227 1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.489 -5.312 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.136 -7.657 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.317 -6.422 -0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.968 -8.771 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.053 -8.153 1.324 1.00 0.00 H new ATOM 123 N GLU A 10 -10.217 -7.792 -2.075 1.00 0.00 N ATOM 124 CA GLU A 10 -10.685 -9.106 -2.503 1.00 0.00 C ATOM 125 C GLU A 10 -11.990 -8.988 -3.287 1.00 0.00 C ATOM 126 O GLU A 10 -12.828 -9.890 -3.255 1.00 0.00 O ATOM 127 CB GLU A 10 -10.875 -10.030 -1.294 1.00 0.00 C ATOM 128 CG GLU A 10 -9.835 -11.135 -1.206 1.00 0.00 C ATOM 129 CD GLU A 10 -10.283 -12.413 -1.889 1.00 0.00 C ATOM 130 OE1 GLU A 10 -11.244 -13.042 -1.399 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.673 -12.784 -2.914 1.00 0.00 O ATOM 0 H GLU A 10 -9.365 -7.476 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.928 -9.538 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.838 -9.434 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.867 -10.479 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.906 -10.791 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.620 -11.344 -0.158 1.00 0.00 H new ATOM 138 N LYS A 11 -12.149 -7.870 -3.995 1.00 0.00 N ATOM 139 CA LYS A 11 -13.344 -7.616 -4.803 1.00 0.00 C ATOM 140 C LYS A 11 -14.506 -7.092 -3.958 1.00 0.00 C ATOM 141 O LYS A 11 -15.557 -6.742 -4.494 1.00 0.00 O ATOM 142 CB LYS A 11 -13.776 -8.881 -5.554 1.00 0.00 C ATOM 143 CG LYS A 11 -12.614 -9.670 -6.136 1.00 0.00 C ATOM 144 CD LYS A 11 -12.923 -10.169 -7.538 1.00 0.00 C ATOM 145 CE LYS A 11 -12.317 -9.264 -8.597 1.00 0.00 C ATOM 146 NZ LYS A 11 -12.326 -9.900 -9.943 1.00 0.00 N ATOM 0 H LYS A 11 -11.459 -7.119 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.078 -6.844 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.336 -9.523 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.454 -8.601 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.723 -9.042 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.389 -10.518 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.537 -11.181 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.003 -10.221 -7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.873 -8.327 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.292 -9.016 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.904 -9.250 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.775 -10.781 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.306 -10.113 -10.220 1.00 0.00 H new ATOM 160 N VAL A 12 -14.320 -7.031 -2.641 1.00 0.00 N ATOM 161 CA VAL A 12 -15.363 -6.539 -1.754 1.00 0.00 C ATOM 162 C VAL A 12 -15.034 -5.137 -1.258 1.00 0.00 C ATOM 163 O VAL A 12 -13.882 -4.832 -0.946 1.00 0.00 O ATOM 164 CB VAL A 12 -15.575 -7.484 -0.550 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.379 -7.476 0.391 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.853 -7.122 0.196 1.00 0.00 C ATOM 0 H VAL A 12 -13.461 -7.315 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.288 -6.505 -2.330 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.675 -8.497 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.567 -8.153 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.490 -7.803 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.222 -6.467 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.985 -7.798 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.784 -6.097 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.705 -7.212 -0.478 1.00 0.00 H new ATOM 176 N SER A 13 -16.044 -4.281 -1.199 1.00 0.00 N ATOM 177 CA SER A 13 -15.841 -2.914 -0.750 1.00 0.00 C ATOM 178 C SER A 13 -16.040 -2.798 0.754 1.00 0.00 C ATOM 179 O SER A 13 -17.038 -3.270 1.299 1.00 0.00 O ATOM 180 CB SER A 13 -16.788 -1.961 -1.474 1.00 0.00 C ATOM 181 OG SER A 13 -18.129 -2.417 -1.399 1.00 0.00 O ATOM 0 H SER A 13 -17.005 -4.508 -1.455 1.00 0.00 H new ATOM 0 HA SER A 13 -14.814 -2.637 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.714 -0.966 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.489 -1.871 -2.518 1.00 0.00 H new ATOM 0 HG SER A 13 -18.715 -1.788 -1.869 1.00 0.00 H new ATOM 187 N GLY A 14 -15.083 -2.164 1.416 1.00 0.00 N ATOM 188 CA GLY A 14 -15.164 -1.990 2.851 1.00 0.00 C ATOM 189 C GLY A 14 -14.814 -0.581 3.274 1.00 0.00 C ATOM 190 O GLY A 14 -15.188 0.385 2.610 1.00 0.00 O ATOM 0 H GLY A 14 -14.250 -1.766 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.172 -2.229 3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.489 -2.693 3.340 1.00 0.00 H new ATOM 194 N ILE A 15 -14.089 -0.462 4.377 1.00 0.00 N ATOM 195 CA ILE A 15 -13.681 0.840 4.883 1.00 0.00 C ATOM 196 C ILE A 15 -12.228 0.820 5.315 1.00 0.00 C ATOM 197 O ILE A 15 -11.846 0.066 6.202 1.00 0.00 O ATOM 198 CB ILE A 15 -14.537 1.281 6.084 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.010 0.927 5.853 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.360 2.771 6.342 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.706 1.803 4.835 1.00 0.00 C ATOM 0 H ILE A 15 -13.771 -1.252 4.939 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.820 1.548 4.066 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.201 0.744 6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.076 -0.111 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.542 0.998 6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.971 3.068 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.312 2.981 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.669 3.332 5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.744 1.486 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.675 2.841 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.201 1.714 3.873 1.00 0.00 H new ATOM 213 N ILE A 16 -11.425 1.667 4.698 1.00 0.00 N ATOM 214 CA ILE A 16 -10.018 1.756 5.037 1.00 0.00 C ATOM 215 C ILE A 16 -9.803 2.913 6.001 1.00 0.00 C ATOM 216 O ILE A 16 -10.164 4.049 5.709 1.00 0.00 O ATOM 217 CB ILE A 16 -9.147 1.909 3.763 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.479 0.574 3.431 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.094 2.998 3.904 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.551 0.637 2.236 1.00 0.00 C ATOM 0 H ILE A 16 -11.724 2.303 3.959 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.708 0.832 5.525 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.809 2.207 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.915 0.234 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.251 -0.171 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.512 3.063 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.582 3.954 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.432 2.758 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.115 -0.347 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.113 0.946 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.756 1.357 2.430 1.00 0.00 H new ATOM 232 N ALA A 17 -9.241 2.611 7.158 1.00 0.00 N ATOM 233 CA ALA A 17 -9.013 3.631 8.169 1.00 0.00 C ATOM 234 C ALA A 17 -7.656 3.455 8.843 1.00 0.00 C ATOM 235 O ALA A 17 -7.277 2.347 9.220 1.00 0.00 O ATOM 236 CB ALA A 17 -10.139 3.598 9.191 1.00 0.00 C ATOM 0 H ALA A 17 -8.935 1.674 7.421 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.004 4.606 7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.966 4.363 9.948 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.089 3.789 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.170 2.618 9.667 1.00 0.00 H new ATOM 242 N ILE A 18 -6.928 4.558 8.984 1.00 0.00 N ATOM 243 CA ILE A 18 -5.608 4.534 9.602 1.00 0.00 C ATOM 244 C ILE A 18 -5.693 4.749 11.111 1.00 0.00 C ATOM 245 O ILE A 18 -6.182 5.779 11.576 1.00 0.00 O ATOM 246 CB ILE A 18 -4.686 5.608 8.989 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.618 5.442 7.469 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.291 5.533 9.597 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.668 6.237 6.726 1.00 0.00 C ATOM 0 H ILE A 18 -7.232 5.482 8.677 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.188 3.547 9.409 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.102 6.590 9.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.631 5.747 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.731 4.386 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.658 6.299 9.150 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.354 5.696 10.673 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.862 4.550 9.404 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.559 6.071 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.660 5.916 7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.543 7.298 6.943 1.00 0.00 H new ATOM 261 N ASN A 19 -5.205 3.771 11.867 1.00 0.00 N ATOM 262 CA ASN A 19 -5.214 3.850 13.323 1.00 0.00 C ATOM 263 C ASN A 19 -4.035 4.677 13.824 1.00 0.00 C ATOM 264 O ASN A 19 -2.942 4.153 14.036 1.00 0.00 O ATOM 265 CB ASN A 19 -5.165 2.448 13.931 1.00 0.00 C ATOM 266 CG ASN A 19 -5.955 2.349 15.221 1.00 0.00 C ATOM 267 OD1 ASN A 19 -5.397 2.886 16.300 1.00 0.00 O flip ATOM 268 ND2 ASN A 19 -7.056 1.797 15.247 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.798 2.913 11.495 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.138 4.338 13.633 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.558 1.729 13.212 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.127 2.174 14.122 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.447 1.398 14.393 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.577 1.739 16.122 1.00 0.00 H new ATOM 275 N GLU A 20 -4.267 5.971 14.015 1.00 0.00 N ATOM 276 CA GLU A 20 -3.225 6.871 14.495 1.00 0.00 C ATOM 277 C GLU A 20 -3.322 7.061 16.005 1.00 0.00 C ATOM 278 O GLU A 20 -2.878 8.075 16.542 1.00 0.00 O ATOM 279 CB GLU A 20 -3.326 8.224 13.789 1.00 0.00 C ATOM 280 CG GLU A 20 -3.058 8.154 12.295 1.00 0.00 C ATOM 281 CD GLU A 20 -3.083 9.518 11.633 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.807 10.406 12.130 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.379 9.698 10.618 1.00 0.00 O ATOM 0 H GLU A 20 -5.167 6.420 13.845 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.258 6.422 14.267 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.322 8.635 13.952 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.617 8.916 14.244 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.086 7.690 12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.804 7.513 11.826 1.00 0.00 H new ATOM 290 N ASP A 21 -3.902 6.076 16.684 1.00 0.00 N ATOM 291 CA ASP A 21 -4.053 6.132 18.132 1.00 0.00 C ATOM 292 C ASP A 21 -3.050 5.210 18.822 1.00 0.00 C ATOM 293 O ASP A 21 -2.941 5.206 20.048 1.00 0.00 O ATOM 294 CB ASP A 21 -5.477 5.745 18.533 1.00 0.00 C ATOM 295 CG ASP A 21 -6.503 6.767 18.081 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.233 7.481 17.092 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.574 6.854 18.717 1.00 0.00 O ATOM 0 H ASP A 21 -4.275 5.230 16.254 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.858 7.156 18.452 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.722 4.774 18.103 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.530 5.636 19.616 1.00 0.00 H new ATOM 302 N VAL A 22 -2.317 4.428 18.030 1.00 0.00 N ATOM 303 CA VAL A 22 -1.326 3.508 18.577 1.00 0.00 C ATOM 304 C VAL A 22 0.088 4.032 18.349 1.00 0.00 C ATOM 305 O VAL A 22 0.271 5.127 17.816 1.00 0.00 O ATOM 306 CB VAL A 22 -1.452 2.108 17.945 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.856 1.556 18.144 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.094 2.152 16.466 1.00 0.00 C ATOM 0 H VAL A 22 -2.392 4.414 17.013 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.516 3.432 19.648 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.749 1.441 18.445 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.926 0.567 17.691 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.070 1.483 19.210 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.579 2.222 17.673 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.189 1.154 16.039 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.769 2.834 15.949 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.067 2.500 16.350 1.00 0.00 H new ATOM 318 N SER A 23 1.086 3.244 18.737 1.00 0.00 N ATOM 319 CA SER A 23 2.473 3.647 18.548 1.00 0.00 C ATOM 320 C SER A 23 2.777 3.740 17.056 1.00 0.00 C ATOM 321 O SER A 23 2.983 4.834 16.530 1.00 0.00 O ATOM 322 CB SER A 23 3.427 2.672 19.243 1.00 0.00 C ATOM 323 OG SER A 23 3.975 3.244 20.418 1.00 0.00 O ATOM 0 H SER A 23 0.962 2.333 19.179 1.00 0.00 H new ATOM 0 HA SER A 23 2.622 4.627 19.001 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.894 1.755 19.496 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.231 2.396 18.560 1.00 0.00 H new ATOM 0 HG SER A 23 4.579 2.601 20.844 1.00 0.00 H new ATOM 329 N PRO A 24 2.776 2.600 16.335 1.00 0.00 N ATOM 330 CA PRO A 24 3.017 2.585 14.903 1.00 0.00 C ATOM 331 C PRO A 24 1.712 2.724 14.133 1.00 0.00 C ATOM 332 O PRO A 24 0.886 1.811 14.131 1.00 0.00 O ATOM 333 CB PRO A 24 3.611 1.205 14.688 1.00 0.00 C ATOM 334 CG PRO A 24 2.894 0.343 15.674 1.00 0.00 C ATOM 335 CD PRO A 24 2.513 1.235 16.839 1.00 0.00 C ATOM 0 HA PRO A 24 3.655 3.400 14.561 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.454 0.858 13.667 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.687 1.202 14.864 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.008 -0.105 15.224 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.531 -0.476 16.007 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.467 1.105 17.117 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.108 1.013 17.725 1.00 0.00 H new ATOM 343 N ALA A 25 1.522 3.867 13.493 1.00 0.00 N ATOM 344 CA ALA A 25 0.302 4.118 12.735 1.00 0.00 C ATOM 345 C ALA A 25 -0.028 2.943 11.820 1.00 0.00 C ATOM 346 O ALA A 25 0.764 2.572 10.954 1.00 0.00 O ATOM 347 CB ALA A 25 0.427 5.405 11.938 1.00 0.00 C ATOM 0 H ALA A 25 2.193 4.635 13.482 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.520 4.229 13.442 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.492 5.577 11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.599 6.239 12.618 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.264 5.324 11.245 1.00 0.00 H new ATOM 353 N GLU A 26 -1.200 2.354 12.030 1.00 0.00 N ATOM 354 CA GLU A 26 -1.640 1.213 11.239 1.00 0.00 C ATOM 355 C GLU A 26 -2.808 1.588 10.330 1.00 0.00 C ATOM 356 O GLU A 26 -3.367 2.679 10.432 1.00 0.00 O ATOM 357 CB GLU A 26 -2.053 0.063 12.161 1.00 0.00 C ATOM 358 CG GLU A 26 -1.062 -0.203 13.281 1.00 0.00 C ATOM 359 CD GLU A 26 -1.411 -1.440 14.086 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.153 -2.299 13.563 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.946 -1.550 15.239 1.00 0.00 O ATOM 0 H GLU A 26 -1.864 2.650 12.745 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.806 0.897 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.027 0.288 12.595 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.170 -0.844 11.567 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.064 -0.319 12.858 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.029 0.661 13.945 1.00 0.00 H new ATOM 368 N LEU A 27 -3.171 0.663 9.452 1.00 0.00 N ATOM 369 CA LEU A 27 -4.274 0.857 8.524 1.00 0.00 C ATOM 370 C LEU A 27 -5.234 -0.324 8.632 1.00 0.00 C ATOM 371 O LEU A 27 -4.894 -1.443 8.249 1.00 0.00 O ATOM 372 CB LEU A 27 -3.742 0.985 7.094 1.00 0.00 C ATOM 373 CG LEU A 27 -4.803 1.242 6.020 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.526 2.551 5.297 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.851 0.089 5.026 1.00 0.00 C ATOM 0 H LEU A 27 -2.709 -0.242 9.364 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.805 1.775 8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.016 1.798 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.206 0.070 6.840 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.773 1.316 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.290 2.716 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.542 3.373 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.546 2.504 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.611 0.291 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.879 -0.016 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.097 -0.834 5.551 1.00 0.00 H new ATOM 387 N THR A 28 -6.417 -0.083 9.184 1.00 0.00 N ATOM 388 CA THR A 28 -7.396 -1.149 9.371 1.00 0.00 C ATOM 389 C THR A 28 -8.564 -1.051 8.397 1.00 0.00 C ATOM 390 O THR A 28 -9.346 -0.100 8.440 1.00 0.00 O ATOM 391 CB THR A 28 -7.925 -1.124 10.804 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.872 -0.895 11.724 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.617 -2.406 11.210 1.00 0.00 C ATOM 0 H THR A 28 -6.721 0.835 9.508 1.00 0.00 H new ATOM 0 HA THR A 28 -6.883 -2.090 9.173 1.00 0.00 H new ATOM 0 HB THR A 28 -8.654 -0.314 10.827 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.231 -0.881 12.636 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.968 -2.320 12.238 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.466 -2.586 10.551 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.916 -3.237 11.134 1.00 0.00 H new ATOM 401 N TRP A 29 -8.692 -2.059 7.538 1.00 0.00 N ATOM 402 CA TRP A 29 -9.774 -2.113 6.576 1.00 0.00 C ATOM 403 C TRP A 29 -10.978 -2.829 7.177 1.00 0.00 C ATOM 404 O TRP A 29 -10.944 -4.040 7.393 1.00 0.00 O ATOM 405 CB TRP A 29 -9.327 -2.846 5.311 1.00 0.00 C ATOM 406 CG TRP A 29 -10.446 -3.073 4.344 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.049 -2.131 3.575 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.106 -4.311 4.062 1.00 0.00 C ATOM 409 NE1 TRP A 29 -12.041 -2.705 2.811 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.094 -4.045 3.096 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.953 -5.620 4.528 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.925 -5.040 2.588 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.780 -6.606 4.025 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.755 -6.312 3.065 1.00 0.00 C ATOM 0 H TRP A 29 -8.052 -2.852 7.494 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.053 -1.092 6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.542 -2.270 4.822 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.892 -3.806 5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.789 -1.083 3.564 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.637 -2.215 2.144 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.202 -5.856 5.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.676 -4.817 1.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.672 -7.621 4.379 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.386 -7.105 2.693 1.00 0.00 H new ATOM 425 N ARG A 30 -12.038 -2.081 7.436 1.00 0.00 N ATOM 426 CA ARG A 30 -13.253 -2.654 8.002 1.00 0.00 C ATOM 427 C ARG A 30 -14.366 -2.664 6.961 1.00 0.00 C ATOM 428 O ARG A 30 -14.823 -1.610 6.523 1.00 0.00 O ATOM 429 CB ARG A 30 -13.694 -1.863 9.234 1.00 0.00 C ATOM 430 CG ARG A 30 -14.765 -2.562 10.055 1.00 0.00 C ATOM 431 CD ARG A 30 -14.772 -2.074 11.495 1.00 0.00 C ATOM 432 NE ARG A 30 -15.986 -2.472 12.203 1.00 0.00 N ATOM 433 CZ ARG A 30 -16.145 -2.362 13.520 1.00 0.00 C ATOM 434 NH1 ARG A 30 -15.172 -1.866 14.275 1.00 0.00 N ATOM 435 NH2 ARG A 30 -17.281 -2.748 14.084 1.00 0.00 N ATOM 0 H ARG A 30 -12.084 -1.077 7.264 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.043 -3.680 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.826 -1.678 9.867 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.069 -0.890 8.916 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.742 -2.386 9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.595 -3.638 10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.901 -2.472 12.017 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.684 -0.988 11.510 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.757 -2.857 11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.296 -1.567 13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.300 -1.784 15.284 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.032 -3.129 13.509 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.404 -2.664 15.093 1.00 0.00 H new ATOM 449 N SER A 31 -14.791 -3.859 6.560 1.00 0.00 N ATOM 450 CA SER A 31 -15.845 -3.998 5.557 1.00 0.00 C ATOM 451 C SER A 31 -17.026 -3.083 5.867 1.00 0.00 C ATOM 452 O SER A 31 -17.151 -2.568 6.978 1.00 0.00 O ATOM 453 CB SER A 31 -16.320 -5.452 5.479 1.00 0.00 C ATOM 454 OG SER A 31 -16.425 -6.027 6.770 1.00 0.00 O ATOM 0 H SER A 31 -14.424 -4.743 6.912 1.00 0.00 H new ATOM 0 HA SER A 31 -15.428 -3.705 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.288 -5.495 4.979 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.623 -6.033 4.875 1.00 0.00 H new ATOM 0 HG SER A 31 -15.528 -6.214 7.119 1.00 0.00 H new ATOM 460 N THR A 32 -17.890 -2.889 4.878 1.00 0.00 N ATOM 461 CA THR A 32 -19.059 -2.044 5.041 1.00 0.00 C ATOM 462 C THR A 32 -20.100 -2.759 5.879 1.00 0.00 C ATOM 463 O THR A 32 -20.747 -2.167 6.742 1.00 0.00 O ATOM 464 CB THR A 32 -19.648 -1.686 3.678 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.879 -2.251 2.630 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.729 -0.195 3.434 1.00 0.00 C ATOM 0 H THR A 32 -17.799 -3.309 3.953 1.00 0.00 H new ATOM 0 HA THR A 32 -18.760 -1.126 5.547 1.00 0.00 H new ATOM 0 HB THR A 32 -20.659 -2.093 3.688 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.117 -3.196 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.156 -0.010 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.360 0.264 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.729 0.237 3.483 1.00 0.00 H new ATOM 474 N ASP A 33 -20.247 -4.043 5.606 1.00 0.00 N ATOM 475 CA ASP A 33 -21.204 -4.873 6.317 1.00 0.00 C ATOM 476 C ASP A 33 -20.634 -5.360 7.643 1.00 0.00 C ATOM 477 O ASP A 33 -21.352 -5.472 8.637 1.00 0.00 O ATOM 478 CB ASP A 33 -21.620 -6.067 5.455 1.00 0.00 C ATOM 479 CG ASP A 33 -22.039 -5.653 4.058 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.020 -4.890 3.932 1.00 0.00 O ATOM 481 OD2 ASP A 33 -21.385 -6.092 3.088 1.00 0.00 O ATOM 0 H ASP A 33 -19.712 -4.537 4.892 1.00 0.00 H new ATOM 0 HA ASP A 33 -22.082 -4.263 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.790 -6.771 5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.445 -6.591 5.938 1.00 0.00 H new ATOM 486 N GLY A 34 -19.342 -5.649 7.647 1.00 0.00 N ATOM 487 CA GLY A 34 -18.691 -6.123 8.854 1.00 0.00 C ATOM 488 C GLY A 34 -18.363 -7.601 8.790 1.00 0.00 C ATOM 489 O GLY A 34 -18.272 -8.270 9.819 1.00 0.00 O ATOM 0 H GLY A 34 -18.730 -5.564 6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.774 -5.557 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.338 -5.934 9.711 1.00 0.00 H new ATOM 493 N ASP A 35 -18.188 -8.114 7.576 1.00 0.00 N ATOM 494 CA ASP A 35 -17.872 -9.524 7.380 1.00 0.00 C ATOM 495 C ASP A 35 -16.412 -9.716 6.977 1.00 0.00 C ATOM 496 O ASP A 35 -15.867 -10.812 7.097 1.00 0.00 O ATOM 497 CB ASP A 35 -18.790 -10.130 6.318 1.00 0.00 C ATOM 498 CG ASP A 35 -18.984 -11.622 6.505 1.00 0.00 C ATOM 499 OD1 ASP A 35 -19.906 -12.011 7.252 1.00 0.00 O ATOM 500 OD2 ASP A 35 -18.213 -12.401 5.906 1.00 0.00 O ATOM 0 H ASP A 35 -18.260 -7.574 6.714 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.032 -10.036 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.759 -9.633 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.371 -9.942 5.329 1.00 0.00 H new ATOM 505 N LYS A 36 -15.783 -8.648 6.496 1.00 0.00 N ATOM 506 CA LYS A 36 -14.387 -8.715 6.076 1.00 0.00 C ATOM 507 C LYS A 36 -13.559 -7.631 6.754 1.00 0.00 C ATOM 508 O LYS A 36 -14.004 -6.493 6.899 1.00 0.00 O ATOM 509 CB LYS A 36 -14.283 -8.582 4.556 1.00 0.00 C ATOM 510 CG LYS A 36 -15.213 -9.517 3.799 1.00 0.00 C ATOM 511 CD LYS A 36 -14.704 -9.796 2.393 1.00 0.00 C ATOM 512 CE LYS A 36 -14.599 -11.287 2.121 1.00 0.00 C ATOM 513 NZ LYS A 36 -15.891 -11.858 1.648 1.00 0.00 N ATOM 0 H LYS A 36 -16.215 -7.730 6.388 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.991 -9.685 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.506 -7.553 4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.255 -8.780 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.309 -10.456 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.208 -9.076 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.375 -9.339 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.727 -9.332 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.827 -11.466 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.286 -11.801 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.777 -12.877 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.622 -11.710 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.177 -11.386 0.767 1.00 0.00 H new ATOM 527 N VAL A 37 -12.352 -7.996 7.175 1.00 0.00 N ATOM 528 CA VAL A 37 -11.466 -7.055 7.845 1.00 0.00 C ATOM 529 C VAL A 37 -10.006 -7.294 7.457 1.00 0.00 C ATOM 530 O VAL A 37 -9.635 -8.388 7.032 1.00 0.00 O ATOM 531 CB VAL A 37 -11.633 -7.138 9.382 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.463 -7.859 10.044 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.811 -5.747 9.970 1.00 0.00 C ATOM 0 H VAL A 37 -11.967 -8.934 7.064 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.745 -6.053 7.519 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.529 -7.724 9.585 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.621 -7.895 11.122 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.393 -8.874 9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.538 -7.324 9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.927 -5.821 11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.935 -5.140 9.740 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.698 -5.281 9.541 1.00 0.00 H new ATOM 543 N HIS A 38 -9.184 -6.260 7.611 1.00 0.00 N ATOM 544 CA HIS A 38 -7.763 -6.349 7.286 1.00 0.00 C ATOM 545 C HIS A 38 -6.975 -5.278 8.034 1.00 0.00 C ATOM 546 O HIS A 38 -7.481 -4.185 8.281 1.00 0.00 O ATOM 547 CB HIS A 38 -7.548 -6.199 5.779 1.00 0.00 C ATOM 548 CG HIS A 38 -6.302 -6.864 5.284 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.109 -8.229 5.323 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.178 -6.344 4.734 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.922 -8.519 4.821 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.338 -7.393 4.456 1.00 0.00 N ATOM 0 H HIS A 38 -9.478 -5.348 7.960 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.403 -7.330 7.596 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.407 -6.618 5.254 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.508 -5.139 5.530 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.980 -5.299 4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.501 -9.509 4.725 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.412 -7.315 4.035 1.00 0.00 H new ATOM 561 N THR A 39 -5.740 -5.599 8.404 1.00 0.00 N ATOM 562 CA THR A 39 -4.898 -4.656 9.133 1.00 0.00 C ATOM 563 C THR A 39 -3.529 -4.501 8.476 1.00 0.00 C ATOM 564 O THR A 39 -2.880 -5.486 8.126 1.00 0.00 O ATOM 565 CB THR A 39 -4.727 -5.114 10.583 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.978 -5.466 11.148 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.101 -4.062 11.473 1.00 0.00 C ATOM 0 H THR A 39 -5.301 -6.500 8.213 1.00 0.00 H new ATOM 0 HA THR A 39 -5.394 -3.686 9.113 1.00 0.00 H new ATOM 0 HB THR A 39 -4.058 -5.973 10.538 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.848 -5.758 12.074 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.008 -4.451 12.487 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.113 -3.804 11.092 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.730 -3.172 11.482 1.00 0.00 H new ATOM 575 N VAL A 40 -3.096 -3.253 8.325 1.00 0.00 N ATOM 576 CA VAL A 40 -1.801 -2.950 7.726 1.00 0.00 C ATOM 577 C VAL A 40 -1.013 -2.020 8.615 1.00 0.00 C ATOM 578 O VAL A 40 -1.505 -0.978 9.030 1.00 0.00 O ATOM 579 CB VAL A 40 -1.950 -2.302 6.338 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.772 -1.385 6.008 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.090 -3.379 5.289 1.00 0.00 C ATOM 0 H VAL A 40 -3.627 -2.431 8.611 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.273 -3.897 7.614 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.847 -1.683 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.917 -0.948 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.711 -0.590 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.152 -1.962 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.195 -2.919 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.204 -4.014 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.972 -3.983 5.503 1.00 0.00 H new ATOM 591 N VAL A 41 0.216 -2.387 8.894 1.00 0.00 N ATOM 592 CA VAL A 41 1.055 -1.547 9.729 1.00 0.00 C ATOM 593 C VAL A 41 2.026 -0.731 8.888 1.00 0.00 C ATOM 594 O VAL A 41 3.060 -1.232 8.445 1.00 0.00 O ATOM 595 CB VAL A 41 1.813 -2.359 10.798 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.776 -1.470 11.578 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.820 -3.023 11.737 1.00 0.00 C ATOM 0 H VAL A 41 0.655 -3.246 8.563 1.00 0.00 H new ATOM 0 HA VAL A 41 0.390 -0.861 10.253 1.00 0.00 H new ATOM 0 HB VAL A 41 2.401 -3.129 10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.298 -2.067 12.326 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.501 -1.031 10.893 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.218 -0.676 12.073 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.360 -3.596 12.491 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.215 -2.259 12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.172 -3.691 11.169 1.00 0.00 H new ATOM 607 N LEU A 42 1.679 0.536 8.675 1.00 0.00 N ATOM 608 CA LEU A 42 2.504 1.443 7.887 1.00 0.00 C ATOM 609 C LEU A 42 3.970 1.371 8.314 1.00 0.00 C ATOM 610 O LEU A 42 4.870 1.631 7.515 1.00 0.00 O ATOM 611 CB LEU A 42 1.981 2.878 8.015 1.00 0.00 C ATOM 612 CG LEU A 42 0.675 3.171 7.264 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.735 2.629 5.843 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.519 2.585 8.008 1.00 0.00 C ATOM 0 H LEU A 42 0.826 0.958 9.041 1.00 0.00 H new ATOM 0 HA LEU A 42 2.444 1.135 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.830 3.099 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.750 3.561 7.653 1.00 0.00 H new ATOM 0 HG LEU A 42 0.551 4.253 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.201 2.848 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.560 3.100 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.889 1.550 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.434 2.805 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.399 1.505 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.579 3.025 9.003 1.00 0.00 H new ATOM 626 N SER A 43 4.204 1.006 9.573 1.00 0.00 N ATOM 627 CA SER A 43 5.562 0.892 10.094 1.00 0.00 C ATOM 628 C SER A 43 6.361 -0.129 9.293 1.00 0.00 C ATOM 629 O SER A 43 7.575 -0.002 9.135 1.00 0.00 O ATOM 630 CB SER A 43 5.536 0.496 11.571 1.00 0.00 C ATOM 631 OG SER A 43 6.735 0.877 12.223 1.00 0.00 O ATOM 0 H SER A 43 3.472 0.785 10.248 1.00 0.00 H new ATOM 0 HA SER A 43 6.046 1.864 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.685 0.968 12.062 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.397 -0.581 11.659 1.00 0.00 H new ATOM 0 HG SER A 43 6.692 0.614 13.166 1.00 0.00 H new ATOM 637 N THR A 44 5.664 -1.134 8.783 1.00 0.00 N ATOM 638 CA THR A 44 6.294 -2.182 7.984 1.00 0.00 C ATOM 639 C THR A 44 6.156 -1.869 6.508 1.00 0.00 C ATOM 640 O THR A 44 7.050 -2.142 5.709 1.00 0.00 O ATOM 641 CB THR A 44 5.663 -3.544 8.278 1.00 0.00 C ATOM 642 OG1 THR A 44 4.496 -3.737 7.496 1.00 0.00 O ATOM 643 CG2 THR A 44 5.270 -3.722 9.727 1.00 0.00 C ATOM 0 H THR A 44 4.658 -1.248 8.907 1.00 0.00 H new ATOM 0 HA THR A 44 7.350 -2.220 8.250 1.00 0.00 H new ATOM 0 HB THR A 44 6.433 -4.275 8.031 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.867 -3.004 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.829 -4.709 9.866 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.154 -3.627 10.358 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.543 -2.958 10.003 1.00 0.00 H new ATOM 651 N ILE A 45 5.018 -1.293 6.158 1.00 0.00 N ATOM 652 CA ILE A 45 4.731 -0.934 4.776 1.00 0.00 C ATOM 653 C ILE A 45 5.904 -0.188 4.147 1.00 0.00 C ATOM 654 O ILE A 45 6.115 0.996 4.409 1.00 0.00 O ATOM 655 CB ILE A 45 3.457 -0.068 4.668 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.273 -0.762 5.349 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.132 0.229 3.212 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.042 -2.184 4.882 1.00 0.00 C ATOM 0 H ILE A 45 4.273 -1.062 6.815 1.00 0.00 H new ATOM 0 HA ILE A 45 4.568 -1.866 4.235 1.00 0.00 H new ATOM 0 HB ILE A 45 3.643 0.877 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.438 -0.766 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.370 -0.179 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.231 0.840 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.963 0.767 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.968 -0.707 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.187 -2.606 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.844 -2.187 3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.929 -2.783 5.089 1.00 0.00 H new ATOM 670 N ASP A 46 6.666 -0.895 3.318 1.00 0.00 N ATOM 671 CA ASP A 46 7.823 -0.310 2.649 1.00 0.00 C ATOM 672 C ASP A 46 7.441 0.970 1.910 1.00 0.00 C ATOM 673 O ASP A 46 8.224 1.920 1.852 1.00 0.00 O ATOM 674 CB ASP A 46 8.433 -1.314 1.670 1.00 0.00 C ATOM 675 CG ASP A 46 9.870 -0.980 1.320 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.523 -0.267 2.110 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.341 -1.431 0.256 1.00 0.00 O ATOM 0 H ASP A 46 6.502 -1.876 3.093 1.00 0.00 H new ATOM 0 HA ASP A 46 8.561 -0.059 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.390 -2.313 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.836 -1.337 0.758 1.00 0.00 H new ATOM 682 N LYS A 47 6.238 0.989 1.344 1.00 0.00 N ATOM 683 CA LYS A 47 5.762 2.154 0.609 1.00 0.00 C ATOM 684 C LYS A 47 4.301 1.986 0.209 1.00 0.00 C ATOM 685 O LYS A 47 3.678 0.965 0.500 1.00 0.00 O ATOM 686 CB LYS A 47 6.620 2.386 -0.637 1.00 0.00 C ATOM 687 CG LYS A 47 7.016 1.109 -1.360 1.00 0.00 C ATOM 688 CD LYS A 47 8.459 0.725 -1.071 1.00 0.00 C ATOM 689 CE LYS A 47 9.367 1.042 -2.249 1.00 0.00 C ATOM 690 NZ LYS A 47 9.507 -0.120 -3.170 1.00 0.00 N ATOM 0 H LYS A 47 5.577 0.213 1.380 1.00 0.00 H new ATOM 0 HA LYS A 47 5.844 3.021 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.074 3.028 -1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.523 2.924 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.355 0.298 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.883 1.242 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.808 1.259 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.515 -0.340 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.966 1.894 -2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.351 1.334 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.133 0.136 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.914 -0.926 -2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.572 -0.383 -3.541 1.00 0.00 H new ATOM 704 N LEU A 48 3.768 2.992 -0.472 1.00 0.00 N ATOM 705 CA LEU A 48 2.384 2.962 -0.928 1.00 0.00 C ATOM 706 C LEU A 48 2.273 3.547 -2.330 1.00 0.00 C ATOM 707 O LEU A 48 3.149 4.289 -2.772 1.00 0.00 O ATOM 708 CB LEU A 48 1.460 3.703 0.054 1.00 0.00 C ATOM 709 CG LEU A 48 1.600 5.233 0.120 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.053 5.668 0.002 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.749 5.901 -0.951 1.00 0.00 C ATOM 0 H LEU A 48 4.275 3.841 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 48 2.060 1.922 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.428 3.468 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.635 3.303 1.053 1.00 0.00 H new ATOM 0 HG LEU A 48 1.238 5.553 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.113 6.755 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.630 5.234 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.459 5.326 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.864 6.983 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.071 5.561 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.298 5.638 -0.801 1.00 0.00 H new ATOM 723 N GLN A 49 1.206 3.195 -3.036 1.00 0.00 N ATOM 724 CA GLN A 49 1.006 3.683 -4.397 1.00 0.00 C ATOM 725 C GLN A 49 -0.432 4.134 -4.627 1.00 0.00 C ATOM 726 O GLN A 49 -1.313 3.889 -3.802 1.00 0.00 O ATOM 727 CB GLN A 49 1.372 2.595 -5.410 1.00 0.00 C ATOM 728 CG GLN A 49 2.690 1.898 -5.110 1.00 0.00 C ATOM 729 CD GLN A 49 2.503 0.471 -4.633 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.395 0.295 -3.321 1.00 0.00 O flip ATOM 731 NE2 GLN A 49 2.453 -0.462 -5.434 1.00 0.00 N flip ATOM 0 H GLN A 49 0.470 2.578 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 49 1.659 4.545 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.575 1.851 -5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.424 3.039 -6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.309 1.898 -6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.230 2.463 -4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.541 -0.281 -6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.324 -1.416 -5.098 1.00 0.00 H new ATOM 740 N ALA A 50 -0.657 4.791 -5.761 1.00 0.00 N ATOM 741 CA ALA A 50 -1.983 5.279 -6.117 1.00 0.00 C ATOM 742 C ALA A 50 -2.070 5.576 -7.609 1.00 0.00 C ATOM 743 O ALA A 50 -1.197 6.234 -8.174 1.00 0.00 O ATOM 744 CB ALA A 50 -2.327 6.519 -5.309 1.00 0.00 C ATOM 0 H ALA A 50 0.066 4.998 -6.451 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.707 4.498 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.321 6.871 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.312 6.277 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.595 7.301 -5.513 1.00 0.00 H new ATOM 847 N MET A 58 -8.920 3.510 -10.800 1.00 0.00 N ATOM 848 CA MET A 58 -8.627 3.995 -9.456 1.00 0.00 C ATOM 849 C MET A 58 -8.306 2.836 -8.517 1.00 0.00 C ATOM 850 O MET A 58 -9.198 2.094 -8.103 1.00 0.00 O ATOM 851 CB MET A 58 -9.812 4.796 -8.911 1.00 0.00 C ATOM 852 CG MET A 58 -9.707 6.291 -9.165 1.00 0.00 C ATOM 853 SD MET A 58 -8.227 7.021 -8.437 1.00 0.00 S ATOM 854 CE MET A 58 -8.148 6.154 -6.872 1.00 0.00 C ATOM 0 HA MET A 58 -7.754 4.645 -9.513 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.731 4.423 -9.364 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.893 4.623 -7.838 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.706 6.473 -10.240 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.589 6.787 -8.759 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.253 6.460 -6.331 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.030 6.393 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.113 5.080 -7.053 1.00 0.00 H new ATOM 864 N MET A 59 -7.028 2.688 -8.182 1.00 0.00 N ATOM 865 CA MET A 59 -6.588 1.621 -7.288 1.00 0.00 C ATOM 866 C MET A 59 -5.264 1.978 -6.621 1.00 0.00 C ATOM 867 O MET A 59 -4.365 2.527 -7.259 1.00 0.00 O ATOM 868 CB MET A 59 -6.435 0.305 -8.057 1.00 0.00 C ATOM 869 CG MET A 59 -7.579 0.012 -9.015 1.00 0.00 C ATOM 870 SD MET A 59 -7.384 -1.564 -9.867 1.00 0.00 S ATOM 871 CE MET A 59 -5.778 -1.340 -10.629 1.00 0.00 C ATOM 0 H MET A 59 -6.278 3.293 -8.516 1.00 0.00 H new ATOM 0 HA MET A 59 -7.348 1.500 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.502 0.331 -8.619 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.354 -0.514 -7.343 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.519 0.008 -8.462 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.645 0.813 -9.751 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.673 -2.030 -11.466 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.686 -0.315 -10.989 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.996 -1.538 -9.895 1.00 0.00 H new ATOM 881 N LEU A 60 -5.146 1.657 -5.336 1.00 0.00 N ATOM 882 CA LEU A 60 -3.926 1.938 -4.587 1.00 0.00 C ATOM 883 C LEU A 60 -3.247 0.645 -4.147 1.00 0.00 C ATOM 884 O LEU A 60 -3.913 -0.337 -3.820 1.00 0.00 O ATOM 885 CB LEU A 60 -4.237 2.802 -3.363 1.00 0.00 C ATOM 886 CG LEU A 60 -4.383 4.299 -3.644 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.518 4.549 -4.625 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.611 5.065 -2.347 1.00 0.00 C ATOM 0 H LEU A 60 -5.880 1.203 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.247 2.481 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.160 2.442 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.444 2.662 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.458 4.659 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.607 5.619 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.310 4.032 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.452 4.175 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.713 6.128 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.521 4.705 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.763 4.911 -1.680 1.00 0.00 H new ATOM 900 N ARG A 61 -1.917 0.652 -4.137 1.00 0.00 N ATOM 901 CA ARG A 61 -1.149 -0.520 -3.734 1.00 0.00 C ATOM 902 C ARG A 61 -0.376 -0.244 -2.450 1.00 0.00 C ATOM 903 O ARG A 61 0.040 0.886 -2.194 1.00 0.00 O ATOM 904 CB ARG A 61 -0.185 -0.936 -4.846 1.00 0.00 C ATOM 905 CG ARG A 61 -0.787 -1.919 -5.837 1.00 0.00 C ATOM 906 CD ARG A 61 0.224 -2.974 -6.260 1.00 0.00 C ATOM 907 NE ARG A 61 0.885 -2.626 -7.516 1.00 0.00 N ATOM 908 CZ ARG A 61 1.641 -3.469 -8.214 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.833 -4.710 -7.784 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.205 -3.072 -9.347 1.00 0.00 N ATOM 0 H ARG A 61 -1.350 1.457 -4.403 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.848 -1.336 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.143 -0.046 -5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.703 -1.382 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.654 -2.404 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.141 -1.380 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.973 -3.093 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.279 -3.935 -6.369 1.00 0.00 H new ATOM 0 HE ARG A 61 0.759 -1.681 -7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.400 -5.021 -6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.414 -5.352 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.059 -2.120 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.785 -3.719 -9.882 1.00 0.00 H new ATOM 924 N LEU A 62 -0.191 -1.283 -1.642 1.00 0.00 N ATOM 925 CA LEU A 62 0.527 -1.150 -0.380 1.00 0.00 C ATOM 926 C LEU A 62 1.641 -2.188 -0.268 1.00 0.00 C ATOM 927 O LEU A 62 1.384 -3.391 -0.259 1.00 0.00 O ATOM 928 CB LEU A 62 -0.447 -1.300 0.794 1.00 0.00 C ATOM 929 CG LEU A 62 -0.249 -0.331 1.974 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.591 0.877 1.584 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.594 0.126 2.502 1.00 0.00 C ATOM 0 H LEU A 62 -0.528 -2.225 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 62 0.981 -0.159 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.461 -1.174 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.372 -2.319 1.172 1.00 0.00 H new ATOM 0 HG LEU A 62 0.288 -0.870 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.706 1.534 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.573 0.544 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.097 1.419 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.444 0.811 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.142 0.635 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.165 -0.739 2.841 1.00 0.00 H new ATOM 943 N ILE A 63 2.878 -1.712 -0.175 1.00 0.00 N ATOM 944 CA ILE A 63 4.031 -2.596 -0.054 1.00 0.00 C ATOM 945 C ILE A 63 4.292 -2.939 1.405 1.00 0.00 C ATOM 946 O ILE A 63 3.893 -2.201 2.299 1.00 0.00 O ATOM 947 CB ILE A 63 5.301 -1.955 -0.647 1.00 0.00 C ATOM 948 CG1 ILE A 63 5.051 -1.525 -2.090 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.474 -2.922 -0.573 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.773 -2.685 -3.017 1.00 0.00 C ATOM 0 H ILE A 63 3.108 -0.718 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 63 3.798 -3.502 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 63 5.550 -1.072 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.206 -0.837 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.920 -0.977 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.361 -2.451 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.664 -3.184 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.238 -3.824 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.604 -2.311 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.627 -3.362 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.887 -3.220 -2.675 1.00 0.00 H new ATOM 962 N GLY A 64 4.963 -4.061 1.638 1.00 0.00 N ATOM 963 CA GLY A 64 5.265 -4.476 2.997 1.00 0.00 C ATOM 964 C GLY A 64 6.747 -4.712 3.212 1.00 0.00 C ATOM 965 O GLY A 64 7.486 -4.948 2.256 1.00 0.00 O ATOM 0 H GLY A 64 5.303 -4.691 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.916 -3.713 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.717 -5.390 3.225 1.00 0.00 H new ATOM 969 N LYS A 65 7.189 -4.653 4.465 1.00 0.00 N ATOM 970 CA LYS A 65 8.596 -4.869 4.776 1.00 0.00 C ATOM 971 C LYS A 65 9.005 -6.296 4.430 1.00 0.00 C ATOM 972 O LYS A 65 8.263 -7.244 4.682 1.00 0.00 O ATOM 973 CB LYS A 65 8.870 -4.585 6.254 1.00 0.00 C ATOM 974 CG LYS A 65 10.109 -3.733 6.492 1.00 0.00 C ATOM 975 CD LYS A 65 10.065 -2.437 5.692 1.00 0.00 C ATOM 976 CE LYS A 65 10.088 -1.214 6.597 1.00 0.00 C ATOM 977 NZ LYS A 65 8.826 -0.430 6.504 1.00 0.00 N ATOM 0 H LYS A 65 6.598 -4.459 5.274 1.00 0.00 H new ATOM 0 HA LYS A 65 9.189 -4.180 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.005 -4.081 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.983 -5.532 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.193 -3.502 7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.999 -4.300 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.915 -2.401 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.164 -2.419 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.244 -1.529 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.931 -0.578 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.043 0.544 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.195 -0.870 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.357 -0.415 7.432 1.00 0.00 H new ATOM 1007 N ASP A 67 12.944 -8.454 3.899 1.00 0.00 N ATOM 1008 CA ASP A 67 14.088 -8.892 4.692 1.00 0.00 C ATOM 1009 C ASP A 67 15.301 -9.146 3.803 1.00 0.00 C ATOM 1010 O ASP A 67 15.372 -10.160 3.109 1.00 0.00 O ATOM 1011 CB ASP A 67 13.741 -10.162 5.473 1.00 0.00 C ATOM 1012 CG ASP A 67 14.413 -10.208 6.832 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.442 -9.523 7.008 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.909 -10.928 7.718 1.00 0.00 O ATOM 0 HA ASP A 67 14.334 -8.097 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.660 -10.221 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.041 -11.035 4.893 1.00 0.00 H new ATOM 1019 N GLU A 68 16.252 -8.218 3.828 1.00 0.00 N ATOM 1020 CA GLU A 68 17.462 -8.343 3.024 1.00 0.00 C ATOM 1021 C GLU A 68 18.618 -8.888 3.857 1.00 0.00 C ATOM 1022 O GLU A 68 19.784 -8.609 3.576 1.00 0.00 O ATOM 1023 CB GLU A 68 17.844 -6.989 2.426 1.00 0.00 C ATOM 1024 CG GLU A 68 16.688 -6.279 1.740 1.00 0.00 C ATOM 1025 CD GLU A 68 16.711 -4.779 1.962 1.00 0.00 C ATOM 1026 OE1 GLU A 68 17.110 -4.349 3.064 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.327 -4.036 1.035 1.00 0.00 O ATOM 0 H GLU A 68 16.208 -7.372 4.396 1.00 0.00 H new ATOM 0 HA GLU A 68 17.259 -9.046 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.235 -6.349 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.650 -7.133 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.723 -6.485 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.746 -6.683 2.111 1.00 0.00 H new ATOM 1034 N SER A 69 18.289 -9.666 4.884 1.00 0.00 N ATOM 1035 CA SER A 69 19.301 -10.249 5.757 1.00 0.00 C ATOM 1036 C SER A 69 19.361 -11.767 5.599 1.00 0.00 C ATOM 1037 O SER A 69 20.360 -12.396 5.950 1.00 0.00 O ATOM 1038 CB SER A 69 19.014 -9.889 7.216 1.00 0.00 C ATOM 1039 OG SER A 69 20.216 -9.654 7.931 1.00 0.00 O ATOM 0 H SER A 69 17.329 -9.907 5.132 1.00 0.00 H new ATOM 0 HA SER A 69 20.268 -9.837 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.383 -9.001 7.257 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.457 -10.697 7.690 1.00 0.00 H new ATOM 0 HG SER A 69 20.004 -9.424 8.860 1.00 0.00 H new ATOM 1045 N LYS A 70 18.290 -12.349 5.071 1.00 0.00 N ATOM 1046 CA LYS A 70 18.226 -13.792 4.869 1.00 0.00 C ATOM 1047 C LYS A 70 18.731 -14.171 3.481 1.00 0.00 C ATOM 1048 O LYS A 70 19.746 -14.855 3.345 1.00 0.00 O ATOM 1049 CB LYS A 70 16.792 -14.290 5.056 1.00 0.00 C ATOM 1050 CG LYS A 70 16.175 -13.885 6.385 1.00 0.00 C ATOM 1051 CD LYS A 70 16.279 -15.003 7.410 1.00 0.00 C ATOM 1052 CE LYS A 70 15.215 -16.066 7.184 1.00 0.00 C ATOM 1053 NZ LYS A 70 14.677 -16.595 8.468 1.00 0.00 N ATOM 0 H LYS A 70 17.455 -11.844 4.775 1.00 0.00 H new ATOM 0 HA LYS A 70 18.869 -14.266 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.174 -13.904 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.781 -15.377 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.676 -12.994 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.128 -13.622 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.268 -15.459 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.175 -14.589 8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.400 -15.645 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.638 -16.885 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.955 -17.317 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.450 -17.020 9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.250 -15.818 9.012 1.00 0.00 H new ATOM 1067 N LYS A 71 18.017 -13.723 2.453 1.00 0.00 N ATOM 1068 CA LYS A 71 18.394 -14.017 1.076 1.00 0.00 C ATOM 1069 C LYS A 71 18.384 -15.520 0.819 1.00 0.00 C ATOM 1070 O LYS A 71 19.280 -16.241 1.259 1.00 0.00 O ATOM 1071 CB LYS A 71 19.779 -13.444 0.769 1.00 0.00 C ATOM 1072 CG LYS A 71 19.751 -11.991 0.325 1.00 0.00 C ATOM 1073 CD LYS A 71 19.714 -11.872 -1.190 1.00 0.00 C ATOM 1074 CE LYS A 71 21.114 -11.814 -1.780 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.187 -10.891 -2.946 1.00 0.00 N ATOM 0 H LYS A 71 17.175 -13.155 2.548 1.00 0.00 H new ATOM 0 HA LYS A 71 17.662 -13.549 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.404 -13.532 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.247 -14.045 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.878 -11.496 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.630 -11.475 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.176 -12.722 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.162 -10.975 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.818 -11.488 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.420 -12.814 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.158 -10.880 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.534 -11.216 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.920 -9.932 -2.646 1.00 0.00 H new ATOM 1089 N ARG A 72 17.365 -15.988 0.105 1.00 0.00 N ATOM 1090 CA ARG A 72 17.239 -17.406 -0.209 1.00 0.00 C ATOM 1091 C ARG A 72 16.793 -17.607 -1.654 1.00 0.00 C ATOM 1092 O ARG A 72 16.457 -16.649 -2.349 1.00 0.00 O ATOM 1093 CB ARG A 72 16.244 -18.075 0.742 1.00 0.00 C ATOM 1094 CG ARG A 72 14.970 -17.274 0.956 1.00 0.00 C ATOM 1095 CD ARG A 72 13.940 -17.565 -0.124 1.00 0.00 C ATOM 1096 NE ARG A 72 13.505 -18.959 -0.106 1.00 0.00 N ATOM 1097 CZ ARG A 72 12.613 -19.446 0.754 1.00 0.00 C ATOM 1098 NH1 ARG A 72 12.060 -18.655 1.666 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.272 -20.727 0.702 1.00 0.00 N ATOM 0 H ARG A 72 16.615 -15.406 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 72 18.218 -17.868 -0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.983 -19.057 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.728 -18.236 1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.550 -17.511 1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.205 -16.210 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.077 -16.914 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.363 -17.330 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 72 13.908 -19.597 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.318 -17.669 1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.377 -19.033 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.693 -21.339 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.589 -21.100 1.361 1.00 0.00 H new ATOM 1113 N LYS A 73 16.792 -18.860 -2.099 1.00 0.00 N ATOM 1114 CA LYS A 73 16.388 -19.187 -3.462 1.00 0.00 C ATOM 1115 C LYS A 73 14.868 -19.245 -3.579 1.00 0.00 C ATOM 1116 O LYS A 73 14.150 -18.970 -2.617 1.00 0.00 O ATOM 1117 CB LYS A 73 16.995 -20.525 -3.888 1.00 0.00 C ATOM 1118 CG LYS A 73 18.514 -20.546 -3.844 1.00 0.00 C ATOM 1119 CD LYS A 73 19.027 -20.825 -2.440 1.00 0.00 C ATOM 1120 CE LYS A 73 20.388 -21.499 -2.469 1.00 0.00 C ATOM 1121 NZ LYS A 73 21.133 -21.301 -1.195 1.00 0.00 N ATOM 0 H LYS A 73 17.066 -19.665 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 73 16.756 -18.402 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.610 -21.312 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.666 -20.758 -4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 73 18.888 -21.308 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.902 -19.588 -4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 73 19.094 -19.890 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.316 -21.460 -1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.261 -22.566 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.973 -21.100 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 22.056 -21.776 -1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 21.277 -20.284 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.587 -21.704 -0.407 1.00 0.00 H new ATOM 1135 N ASP A 74 14.385 -19.604 -4.764 1.00 0.00 N ATOM 1136 CA ASP A 74 12.950 -19.698 -5.007 1.00 0.00 C ATOM 1137 C ASP A 74 12.509 -21.155 -5.109 1.00 0.00 C ATOM 1138 O ASP A 74 11.567 -21.478 -5.831 1.00 0.00 O ATOM 1139 CB ASP A 74 12.579 -18.950 -6.289 1.00 0.00 C ATOM 1140 CG ASP A 74 11.198 -18.329 -6.216 1.00 0.00 C ATOM 1141 OD1 ASP A 74 11.030 -17.340 -5.472 1.00 0.00 O ATOM 1142 OD2 ASP A 74 10.284 -18.832 -6.904 1.00 0.00 O ATOM 0 H ASP A 74 14.966 -19.834 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 74 12.433 -19.239 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.316 -18.169 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.621 -19.638 -7.133 1.00 0.00 H new ATOM 1147 N ASN A 75 13.201 -22.030 -4.379 1.00 0.00 N ATOM 1148 CA ASN A 75 12.890 -23.459 -4.378 1.00 0.00 C ATOM 1149 C ASN A 75 13.315 -24.137 -5.682 1.00 0.00 C ATOM 1150 O ASN A 75 13.124 -25.341 -5.851 1.00 0.00 O ATOM 1151 CB ASN A 75 11.397 -23.677 -4.147 1.00 0.00 C ATOM 1152 CG ASN A 75 10.877 -22.908 -2.948 1.00 0.00 C ATOM 1153 OD1 ASN A 75 10.574 -21.717 -3.044 1.00 0.00 O ATOM 1154 ND2 ASN A 75 10.769 -23.585 -1.812 1.00 0.00 N ATOM 0 H ASN A 75 13.984 -21.772 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 75 13.456 -23.913 -3.564 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.847 -23.372 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.206 -24.741 -4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.423 -23.120 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.031 -24.570 -1.778 1.00 0.00 H new ATOM 1161 N GLU A 76 13.888 -23.365 -6.601 1.00 0.00 N ATOM 1162 CA GLU A 76 14.331 -23.902 -7.881 1.00 0.00 C ATOM 1163 C GLU A 76 15.843 -24.088 -7.890 1.00 0.00 C ATOM 1164 O GLU A 76 16.372 -24.960 -8.579 1.00 0.00 O ATOM 1165 CB GLU A 76 13.918 -22.971 -9.024 1.00 0.00 C ATOM 1166 CG GLU A 76 12.705 -22.110 -8.707 1.00 0.00 C ATOM 1167 CD GLU A 76 12.333 -21.182 -9.846 1.00 0.00 C ATOM 1168 OE1 GLU A 76 13.249 -20.571 -10.437 1.00 0.00 O ATOM 1169 OE2 GLU A 76 11.126 -21.067 -10.149 1.00 0.00 O ATOM 0 H GLU A 76 14.056 -22.366 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 76 13.856 -24.872 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.758 -22.322 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.705 -23.570 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.857 -22.755 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.907 -21.519 -7.814 1.00 0.00 H new ATOM 1176 N GLY A 77 16.527 -23.256 -7.119 1.00 0.00 N ATOM 1177 CA GLY A 77 17.974 -23.331 -7.041 1.00 0.00 C ATOM 1178 C GLY A 77 18.647 -22.047 -7.487 1.00 0.00 C ATOM 1179 O GLY A 77 19.775 -22.070 -7.982 1.00 0.00 O ATOM 0 H GLY A 77 16.105 -22.527 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.268 -23.554 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.326 -24.156 -7.660 1.00 0.00 H new ATOM 1183 N ASN A 78 17.956 -20.926 -7.312 1.00 0.00 N ATOM 1184 CA ASN A 78 18.494 -19.628 -7.700 1.00 0.00 C ATOM 1185 C ASN A 78 18.279 -18.598 -6.596 1.00 0.00 C ATOM 1186 O ASN A 78 17.148 -18.205 -6.313 1.00 0.00 O ATOM 1187 CB ASN A 78 17.839 -19.147 -8.996 1.00 0.00 C ATOM 1188 CG ASN A 78 17.822 -20.220 -10.068 1.00 0.00 C ATOM 1189 OD1 ASN A 78 18.868 -20.617 -10.582 1.00 0.00 O ATOM 1190 ND2 ASN A 78 16.630 -20.695 -10.411 1.00 0.00 N ATOM 0 H ASN A 78 17.022 -20.890 -6.904 1.00 0.00 H new ATOM 0 HA ASN A 78 19.566 -19.741 -7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 78 16.817 -18.829 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 78 18.375 -18.274 -9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.556 -21.418 -11.127 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.789 -20.337 -9.959 1.00 0.00 H new ATOM 1197 N GLU A 79 19.371 -18.165 -5.976 1.00 0.00 N ATOM 1198 CA GLU A 79 19.302 -17.180 -4.902 1.00 0.00 C ATOM 1199 C GLU A 79 18.650 -15.890 -5.386 1.00 0.00 C ATOM 1200 O GLU A 79 19.214 -15.169 -6.210 1.00 0.00 O ATOM 1201 CB GLU A 79 20.703 -16.885 -4.361 1.00 0.00 C ATOM 1202 CG GLU A 79 21.283 -18.016 -3.528 1.00 0.00 C ATOM 1203 CD GLU A 79 22.799 -18.038 -3.551 1.00 0.00 C ATOM 1204 OE1 GLU A 79 23.370 -18.639 -4.486 1.00 0.00 O ATOM 1205 OE2 GLU A 79 23.416 -17.455 -2.635 1.00 0.00 O ATOM 0 H GLU A 79 20.315 -18.480 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 79 18.690 -17.596 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.371 -16.681 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.666 -15.980 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.940 -17.917 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.904 -18.968 -3.900 1.00 0.00 H new ATOM 1212 N VAL A 80 17.459 -15.605 -4.870 1.00 0.00 N ATOM 1213 CA VAL A 80 16.729 -14.402 -5.250 1.00 0.00 C ATOM 1214 C VAL A 80 16.294 -13.611 -4.018 1.00 0.00 C ATOM 1215 O VAL A 80 16.654 -13.952 -2.891 1.00 0.00 O ATOM 1216 CB VAL A 80 15.489 -14.742 -6.101 1.00 0.00 C ATOM 1217 CG1 VAL A 80 15.895 -15.499 -7.355 1.00 0.00 C ATOM 1218 CG2 VAL A 80 14.482 -15.544 -5.289 1.00 0.00 C ATOM 0 H VAL A 80 16.979 -16.191 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 80 17.408 -13.792 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 80 15.014 -13.809 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.007 -15.731 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.573 -14.885 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.396 -16.425 -7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.615 -15.773 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.943 -16.473 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.166 -14.961 -4.424 1.00 0.00 H new ATOM 1228 N VAL A 81 15.518 -12.556 -4.242 1.00 0.00 N ATOM 1229 CA VAL A 81 15.033 -11.718 -3.151 1.00 0.00 C ATOM 1230 C VAL A 81 13.509 -11.769 -3.057 1.00 0.00 C ATOM 1231 O VAL A 81 12.812 -11.142 -3.854 1.00 0.00 O ATOM 1232 CB VAL A 81 15.475 -10.254 -3.330 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.126 -9.435 -2.098 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.965 -10.179 -3.625 1.00 0.00 C ATOM 0 H VAL A 81 15.211 -12.261 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 81 15.466 -12.111 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 81 14.938 -9.833 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.446 -8.403 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.048 -9.461 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.633 -9.853 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.259 -9.137 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.522 -10.618 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.183 -10.728 -4.541 1.00 0.00 H new ATOM 1244 N PRO A 82 12.968 -12.518 -2.078 1.00 0.00 N ATOM 1245 CA PRO A 82 11.518 -12.642 -1.891 1.00 0.00 C ATOM 1246 C PRO A 82 10.812 -11.291 -1.917 1.00 0.00 C ATOM 1247 O PRO A 82 11.150 -10.386 -1.154 1.00 0.00 O ATOM 1248 CB PRO A 82 11.398 -13.284 -0.509 1.00 0.00 C ATOM 1249 CG PRO A 82 12.652 -14.071 -0.350 1.00 0.00 C ATOM 1250 CD PRO A 82 13.722 -13.302 -1.079 1.00 0.00 C ATOM 0 HA PRO A 82 11.049 -13.220 -2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.302 -12.529 0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.518 -13.924 -0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.907 -14.190 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.539 -15.072 -0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.283 -12.656 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.442 -13.969 -1.553 1.00 0.00 H new ATOM 1258 N LYS A 83 9.828 -11.162 -2.800 1.00 0.00 N ATOM 1259 CA LYS A 83 9.072 -9.921 -2.928 1.00 0.00 C ATOM 1260 C LYS A 83 8.333 -9.594 -1.632 1.00 0.00 C ATOM 1261 O LYS A 83 7.914 -10.493 -0.904 1.00 0.00 O ATOM 1262 CB LYS A 83 8.077 -10.024 -4.085 1.00 0.00 C ATOM 1263 CG LYS A 83 8.652 -9.592 -5.423 1.00 0.00 C ATOM 1264 CD LYS A 83 9.140 -10.784 -6.231 1.00 0.00 C ATOM 1265 CE LYS A 83 8.107 -11.218 -7.259 1.00 0.00 C ATOM 1266 NZ LYS A 83 8.117 -10.340 -8.462 1.00 0.00 N ATOM 0 H LYS A 83 9.535 -11.902 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 83 9.777 -9.116 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.730 -11.054 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.205 -9.410 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.892 -9.053 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.478 -8.900 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.071 -10.527 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.359 -11.615 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.304 -12.247 -7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.116 -11.202 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.399 -10.669 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.904 -9.362 -8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.055 -10.375 -8.909 1.00 0.00 H new ATOM 1280 N PRO A 84 8.164 -8.296 -1.328 1.00 0.00 N ATOM 1281 CA PRO A 84 7.471 -7.851 -0.115 1.00 0.00 C ATOM 1282 C PRO A 84 5.970 -8.113 -0.175 1.00 0.00 C ATOM 1283 O PRO A 84 5.477 -8.753 -1.103 1.00 0.00 O ATOM 1284 CB PRO A 84 7.745 -6.350 -0.081 1.00 0.00 C ATOM 1285 CG PRO A 84 7.956 -5.979 -1.503 1.00 0.00 C ATOM 1286 CD PRO A 84 8.632 -7.160 -2.142 1.00 0.00 C ATOM 0 HA PRO A 84 7.819 -8.384 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.907 -5.803 0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.622 -6.120 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.008 -5.759 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.573 -5.084 -1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.347 -7.270 -3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.718 -7.066 -2.116 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.383 -5.199 -0.999 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.822 -5.172 -0.762 1.00 0.00 C ATOM 1337 C HIS A 87 -2.529 -4.400 -1.870 1.00 0.00 C ATOM 1338 O HIS A 87 -2.338 -3.193 -2.018 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.126 -4.538 0.596 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.392 -5.176 1.733 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.560 -6.498 2.090 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.481 -4.668 2.596 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.785 -6.774 3.124 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.120 -5.681 3.450 1.00 0.00 N ATOM 0 HA HIS A 87 -2.190 -6.198 -0.760 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.871 -3.479 0.558 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.198 -4.601 0.785 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.108 -3.655 2.610 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.709 -7.731 3.618 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.553 -5.602 4.213 1.00 0.00 H new ATOM 1353 N MET A 88 -3.340 -5.104 -2.652 1.00 0.00 N ATOM 1354 CA MET A 88 -4.068 -4.483 -3.753 1.00 0.00 C ATOM 1355 C MET A 88 -5.399 -3.908 -3.281 1.00 0.00 C ATOM 1356 O MET A 88 -6.326 -4.648 -2.951 1.00 0.00 O ATOM 1357 CB MET A 88 -4.307 -5.500 -4.870 1.00 0.00 C ATOM 1358 CG MET A 88 -4.428 -4.873 -6.249 1.00 0.00 C ATOM 1359 SD MET A 88 -3.758 -5.924 -7.551 1.00 0.00 S ATOM 1360 CE MET A 88 -2.716 -4.759 -8.426 1.00 0.00 C ATOM 0 H MET A 88 -3.510 -6.104 -2.544 1.00 0.00 H new ATOM 0 HA MET A 88 -3.460 -3.664 -4.136 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.487 -6.218 -4.877 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.218 -6.058 -4.653 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.477 -4.666 -6.459 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.907 -3.916 -6.256 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.619 -5.068 -9.467 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.164 -3.766 -8.382 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.730 -4.733 -7.962 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.490 -2.581 -3.262 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.709 -1.902 -2.842 1.00 0.00 C ATOM 1372 C PHE A 89 -7.308 -1.118 -4.003 1.00 0.00 C ATOM 1373 O PHE A 89 -6.608 -0.365 -4.681 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.419 -0.964 -1.669 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.955 -1.676 -0.431 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.834 -2.451 0.308 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.640 -1.571 -0.007 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.410 -3.108 1.449 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.210 -2.225 1.132 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.096 -2.994 1.860 1.00 0.00 C ATOM 0 H PHE A 89 -4.732 -1.955 -3.533 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.429 -2.655 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.659 -0.243 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.321 -0.398 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.862 -2.543 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.943 -0.971 -0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.105 -3.709 2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.183 -2.135 1.452 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.762 -3.506 2.750 1.00 0.00 H new ATOM 1390 N SER A 90 -8.603 -1.300 -4.233 1.00 0.00 N ATOM 1391 CA SER A 90 -9.287 -0.608 -5.319 1.00 0.00 C ATOM 1392 C SER A 90 -10.159 0.522 -4.784 1.00 0.00 C ATOM 1393 O SER A 90 -11.073 0.293 -3.994 1.00 0.00 O ATOM 1394 CB SER A 90 -10.142 -1.593 -6.120 1.00 0.00 C ATOM 1395 OG SER A 90 -11.081 -0.910 -6.933 1.00 0.00 O ATOM 0 H SER A 90 -9.199 -1.919 -3.684 1.00 0.00 H new ATOM 0 HA SER A 90 -8.530 -0.177 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.499 -2.213 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.666 -2.263 -5.438 1.00 0.00 H new ATOM 0 HG SER A 90 -11.614 -1.561 -7.435 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.868 1.742 -5.220 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.627 2.908 -4.785 1.00 0.00 C ATOM 1403 C PHE A 91 -11.797 3.176 -5.726 1.00 0.00 C ATOM 1404 O PHE A 91 -11.645 3.137 -6.947 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.718 4.135 -4.710 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.845 4.155 -3.487 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.129 3.028 -3.115 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.745 5.296 -2.710 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.329 3.041 -1.990 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.947 5.315 -1.582 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.238 4.186 -1.221 1.00 0.00 C ATOM 0 H PHE A 91 -9.113 1.949 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.026 2.703 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.087 4.166 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.333 5.035 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.198 2.130 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.297 6.182 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.775 2.157 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.878 6.211 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.614 4.198 -0.340 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.967 3.439 -5.151 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.164 3.703 -5.941 1.00 0.00 C ATOM 1423 C ASN A 92 -14.476 5.197 -5.996 1.00 0.00 C ATOM 1424 O ASN A 92 -15.629 5.592 -6.160 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.359 2.946 -5.358 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.689 3.384 -3.944 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.098 4.329 -3.422 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.637 2.697 -3.317 1.00 0.00 N ATOM 0 H ASN A 92 -13.111 3.475 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.976 3.356 -6.957 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.229 3.101 -5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.146 1.877 -5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.901 2.946 -2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.101 1.920 -3.789 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.442 6.023 -5.861 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.617 7.470 -5.900 1.00 0.00 C ATOM 1437 C ASN A 93 -12.269 8.179 -5.987 1.00 0.00 C ATOM 1438 O ASN A 93 -11.249 7.654 -5.544 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.381 7.947 -4.663 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.503 8.906 -5.012 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.462 10.100 -4.432 1.00 0.00 O flip ATOM 1442 ND2 ASN A 93 -16.395 8.578 -5.794 1.00 0.00 N flip ATOM 0 H ASN A 93 -12.479 5.716 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.194 7.717 -6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.793 7.085 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.689 8.436 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.387 7.650 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.142 9.234 -6.019 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.274 9.377 -6.563 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.053 10.161 -6.709 1.00 0.00 C ATOM 1451 C ARG A 94 -10.722 10.893 -5.413 1.00 0.00 C ATOM 1452 O ARG A 94 -9.557 11.007 -5.033 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.200 11.165 -7.853 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.469 11.999 -7.771 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.414 13.189 -8.715 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.625 14.004 -8.639 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.764 15.183 -9.241 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.773 15.688 -9.964 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.899 15.858 -9.120 1.00 0.00 N ATOM 0 H ARG A 94 -13.110 9.826 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.236 9.478 -6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.337 11.831 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.189 10.627 -8.801 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.331 11.378 -8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.610 12.350 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.547 13.804 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.279 12.835 -9.737 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.410 13.648 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.898 15.172 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.886 16.592 -10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.664 15.474 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.007 16.762 -9.581 1.00 0.00 H new ATOM 1473 N THR A 95 -11.756 11.387 -4.738 1.00 0.00 N ATOM 1474 CA THR A 95 -11.591 12.102 -3.495 1.00 0.00 C ATOM 1475 C THR A 95 -10.995 11.204 -2.417 1.00 0.00 C ATOM 1476 O THR A 95 -10.085 11.607 -1.692 1.00 0.00 O ATOM 1477 CB THR A 95 -12.943 12.632 -3.058 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.849 12.666 -4.148 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.879 14.018 -2.475 1.00 0.00 C ATOM 0 H THR A 95 -12.725 11.299 -5.043 1.00 0.00 H new ATOM 0 HA THR A 95 -10.898 12.930 -3.646 1.00 0.00 H new ATOM 0 HB THR A 95 -13.284 11.944 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.372 11.837 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.880 14.337 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.229 14.015 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.481 14.708 -3.219 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.514 9.984 -2.316 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.030 9.029 -1.326 1.00 0.00 C ATOM 1489 C VAL A 96 -9.542 8.750 -1.515 1.00 0.00 C ATOM 1490 O VAL A 96 -8.839 8.409 -0.563 1.00 0.00 O ATOM 1491 CB VAL A 96 -11.811 7.700 -1.396 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.616 7.027 -2.749 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.391 6.774 -0.263 1.00 0.00 C ATOM 0 H VAL A 96 -12.268 9.634 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.189 9.479 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.872 7.920 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.176 6.092 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.975 7.687 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.557 6.820 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.952 5.842 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.325 6.562 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.595 7.254 0.694 1.00 0.00 H new ATOM 1503 N MET A 97 -9.067 8.902 -2.748 1.00 0.00 N ATOM 1504 CA MET A 97 -7.662 8.670 -3.059 1.00 0.00 C ATOM 1505 C MET A 97 -6.791 9.758 -2.451 1.00 0.00 C ATOM 1506 O MET A 97 -5.717 9.489 -1.912 1.00 0.00 O ATOM 1507 CB MET A 97 -7.457 8.612 -4.575 1.00 0.00 C ATOM 1508 CG MET A 97 -5.996 8.581 -4.998 1.00 0.00 C ATOM 1509 SD MET A 97 -5.788 8.648 -6.786 1.00 0.00 S ATOM 1510 CE MET A 97 -5.171 10.316 -6.994 1.00 0.00 C ATOM 0 H MET A 97 -9.635 9.185 -3.547 1.00 0.00 H new ATOM 0 HA MET A 97 -7.368 7.713 -2.628 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.957 7.726 -4.966 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.939 9.477 -5.030 1.00 0.00 H new ATOM 0 HG2 MET A 97 -5.473 9.422 -4.544 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.531 7.672 -4.616 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.835 10.869 -7.659 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.131 10.813 -6.025 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.171 10.283 -7.426 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.267 10.987 -2.543 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.547 12.134 -2.004 1.00 0.00 C ATOM 1522 C ASP A 98 -6.444 12.046 -0.484 1.00 0.00 C ATOM 1523 O ASP A 98 -5.506 12.572 0.115 1.00 0.00 O ATOM 1524 CB ASP A 98 -7.244 13.435 -2.406 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.777 13.949 -3.753 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -7.272 13.449 -4.784 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.915 14.853 -3.777 1.00 0.00 O ATOM 0 H ASP A 98 -8.155 11.220 -2.988 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.539 12.127 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.321 13.272 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.057 14.194 -1.646 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.414 11.379 0.133 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.431 11.225 1.583 1.00 0.00 C ATOM 1534 C ASN A 99 -6.490 10.108 2.024 1.00 0.00 C ATOM 1535 O ASN A 99 -5.821 10.217 3.051 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.852 10.931 2.068 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.736 12.163 2.045 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -10.144 12.667 3.092 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.037 12.653 0.849 1.00 0.00 N ATOM 0 H ASN A 99 -8.198 10.937 -0.348 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.088 12.160 2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.295 10.158 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.812 10.534 3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.629 13.480 0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.676 12.203 0.008 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.445 9.033 1.244 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.585 7.898 1.559 1.00 0.00 C ATOM 1548 C ILE A 100 -4.178 8.100 1.006 1.00 0.00 C ATOM 1549 O ILE A 100 -3.199 8.074 1.752 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.163 6.585 0.994 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.606 6.390 1.468 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.298 5.400 1.404 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.724 6.044 2.935 1.00 0.00 C ATOM 0 H ILE A 100 -6.993 8.924 0.391 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.537 7.830 2.646 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.163 6.647 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.169 7.303 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.068 5.598 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.721 4.482 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.288 5.536 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.265 5.333 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.775 5.921 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.190 5.115 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.292 6.846 3.534 1.00 0.00 H new ATOM 1565 N LYS A 101 -4.084 8.298 -0.305 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.795 8.499 -0.964 1.00 0.00 C ATOM 1567 C LYS A 101 -1.937 9.515 -0.213 1.00 0.00 C ATOM 1568 O LYS A 101 -0.716 9.377 -0.141 1.00 0.00 O ATOM 1569 CB LYS A 101 -3.006 8.962 -2.407 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.710 9.195 -3.168 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.758 10.484 -3.972 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.565 10.315 -5.248 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.402 11.475 -6.168 1.00 0.00 N ATOM 0 H LYS A 101 -4.886 8.324 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.269 7.545 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.599 8.216 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.586 9.885 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.877 9.234 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.524 8.355 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.196 11.276 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.744 10.797 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.253 9.402 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.619 10.196 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.271 12.046 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.603 12.060 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.218 11.130 -7.132 1.00 0.00 H new ATOM 1587 N MET A 102 -2.581 10.538 0.336 1.00 0.00 N ATOM 1588 CA MET A 102 -1.870 11.576 1.073 1.00 0.00 C ATOM 1589 C MET A 102 -1.616 11.156 2.512 1.00 0.00 C ATOM 1590 O MET A 102 -0.472 11.094 2.963 1.00 0.00 O ATOM 1591 CB MET A 102 -2.662 12.884 1.044 1.00 0.00 C ATOM 1592 CG MET A 102 -2.752 13.511 -0.339 1.00 0.00 C ATOM 1593 SD MET A 102 -1.637 14.913 -0.541 1.00 0.00 S ATOM 1594 CE MET A 102 -2.492 16.166 0.411 1.00 0.00 C ATOM 0 H MET A 102 -3.591 10.671 0.285 1.00 0.00 H new ATOM 0 HA MET A 102 -0.906 11.729 0.588 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.670 12.697 1.415 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.198 13.595 1.727 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.521 12.757 -1.091 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.776 13.838 -0.519 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.992 17.126 0.281 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.523 16.244 0.067 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.482 15.892 1.466 1.00 0.00 H new ATOM 1604 N THR A 103 -2.691 10.874 3.225 1.00 0.00 N ATOM 1605 CA THR A 103 -2.602 10.464 4.623 1.00 0.00 C ATOM 1606 C THR A 103 -1.629 9.304 4.797 1.00 0.00 C ATOM 1607 O THR A 103 -0.917 9.229 5.799 1.00 0.00 O ATOM 1608 CB THR A 103 -3.985 10.080 5.157 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.867 11.186 5.102 1.00 0.00 O ATOM 1610 CG2 THR A 103 -3.961 9.587 6.589 1.00 0.00 C ATOM 0 H THR A 103 -3.643 10.920 2.861 1.00 0.00 H new ATOM 0 HA THR A 103 -2.225 11.311 5.196 1.00 0.00 H new ATOM 0 HB THR A 103 -4.325 9.267 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.299 11.217 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.973 9.333 6.903 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.326 8.704 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.566 10.370 7.237 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.586 8.410 3.818 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.679 7.276 3.880 1.00 0.00 C ATOM 1620 C LEU A 104 0.758 7.772 3.898 1.00 0.00 C ATOM 1621 O LEU A 104 1.496 7.533 4.853 1.00 0.00 O ATOM 1622 CB LEU A 104 -0.902 6.337 2.690 1.00 0.00 C ATOM 1623 CG LEU A 104 -0.577 4.862 2.947 1.00 0.00 C ATOM 1624 CD1 LEU A 104 0.776 4.720 3.625 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.668 4.216 3.789 1.00 0.00 C ATOM 0 H LEU A 104 -2.164 8.449 2.979 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.878 6.717 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.944 6.413 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.294 6.685 1.855 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.532 4.348 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.987 3.665 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.550 5.145 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.763 5.249 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.422 3.168 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.744 4.734 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.621 4.282 3.263 1.00 0.00 H new ATOM 1637 N GLN A 105 1.138 8.488 2.843 1.00 0.00 N ATOM 1638 CA GLN A 105 2.482 9.047 2.732 1.00 0.00 C ATOM 1639 C GLN A 105 2.849 9.814 3.996 1.00 0.00 C ATOM 1640 O GLN A 105 4.005 9.823 4.418 1.00 0.00 O ATOM 1641 CB GLN A 105 2.569 9.968 1.512 1.00 0.00 C ATOM 1642 CG GLN A 105 3.669 9.587 0.540 1.00 0.00 C ATOM 1643 CD GLN A 105 3.856 10.611 -0.562 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.757 11.448 -0.501 1.00 0.00 O ATOM 1645 NE2 GLN A 105 3.001 10.552 -1.576 1.00 0.00 N ATOM 0 H GLN A 105 0.531 8.695 2.050 1.00 0.00 H new ATOM 0 HA GLN A 105 3.189 8.227 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.613 9.955 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.733 10.991 1.851 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.606 9.471 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.436 8.619 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.269 9.841 -1.585 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.076 11.217 -2.346 1.00 0.00 H new ATOM 1654 N GLN A 106 1.850 10.445 4.604 1.00 0.00 N ATOM 1655 CA GLN A 106 2.061 11.203 5.828 1.00 0.00 C ATOM 1656 C GLN A 106 2.581 10.290 6.927 1.00 0.00 C ATOM 1657 O GLN A 106 3.389 10.695 7.763 1.00 0.00 O ATOM 1658 CB GLN A 106 0.762 11.881 6.265 1.00 0.00 C ATOM 1659 CG GLN A 106 0.550 13.270 5.672 1.00 0.00 C ATOM 1660 CD GLN A 106 1.185 13.447 4.303 1.00 0.00 C ATOM 1661 OE1 GLN A 106 0.524 13.297 3.276 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.472 13.774 4.283 1.00 0.00 N ATOM 0 H GLN A 106 0.887 10.445 4.268 1.00 0.00 H new ATOM 0 HA GLN A 106 2.805 11.976 5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.078 11.246 5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.753 11.958 7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.520 13.465 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 106 0.961 14.014 6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.983 13.889 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.950 13.911 3.392 1.00 0.00 H new ATOM 1671 N ILE A 107 2.128 9.046 6.897 1.00 0.00 N ATOM 1672 CA ILE A 107 2.557 8.049 7.866 1.00 0.00 C ATOM 1673 C ILE A 107 3.898 7.463 7.438 1.00 0.00 C ATOM 1674 O ILE A 107 4.763 7.174 8.263 1.00 0.00 O ATOM 1675 CB ILE A 107 1.519 6.916 8.004 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.208 7.461 8.573 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.061 5.799 8.881 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.023 6.927 7.873 1.00 0.00 C ATOM 0 H ILE A 107 1.460 8.701 6.208 1.00 0.00 H new ATOM 0 HA ILE A 107 2.657 8.539 8.835 1.00 0.00 H new ATOM 0 HB ILE A 107 1.321 6.506 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.150 7.212 9.633 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.214 8.549 8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.315 5.009 8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.969 5.394 8.434 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.288 6.192 9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.915 7.356 8.329 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.988 7.198 6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.053 5.842 7.968 1.00 0.00 H new ATOM 1690 N ILE A 108 4.055 7.310 6.129 1.00 0.00 N ATOM 1691 CA ILE A 108 5.280 6.778 5.542 1.00 0.00 C ATOM 1692 C ILE A 108 6.497 7.558 6.024 1.00 0.00 C ATOM 1693 O ILE A 108 7.415 7.001 6.625 1.00 0.00 O ATOM 1694 CB ILE A 108 5.228 6.863 4.004 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.941 6.243 3.476 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.430 6.187 3.378 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.761 4.794 3.856 1.00 0.00 C ATOM 0 H ILE A 108 3.338 7.551 5.445 1.00 0.00 H new ATOM 0 HA ILE A 108 5.364 5.737 5.854 1.00 0.00 H new ATOM 0 HB ILE A 108 5.248 7.917 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.093 6.815 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.927 6.328 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.366 6.263 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.342 6.674 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.448 5.136 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.822 4.424 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.589 4.208 3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.741 4.702 4.942 1.00 0.00 H new ATOM 1709 N SER A 109 6.490 8.855 5.740 1.00 0.00 N ATOM 1710 CA SER A 109 7.588 9.741 6.123 1.00 0.00 C ATOM 1711 C SER A 109 7.970 9.569 7.591 1.00 0.00 C ATOM 1712 O SER A 109 9.110 9.823 7.978 1.00 0.00 O ATOM 1713 CB SER A 109 7.211 11.199 5.853 1.00 0.00 C ATOM 1714 OG SER A 109 8.355 11.969 5.527 1.00 0.00 O ATOM 0 H SER A 109 5.731 9.321 5.242 1.00 0.00 H new ATOM 0 HA SER A 109 8.453 9.470 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.492 11.247 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.723 11.621 6.732 1.00 0.00 H new ATOM 0 HG SER A 109 8.088 12.896 5.357 1.00 0.00 H new ATOM 1720 N ARG A 110 7.014 9.137 8.402 1.00 0.00 N ATOM 1721 CA ARG A 110 7.259 8.932 9.827 1.00 0.00 C ATOM 1722 C ARG A 110 8.400 7.943 10.050 1.00 0.00 C ATOM 1723 O ARG A 110 9.081 7.988 11.074 1.00 0.00 O ATOM 1724 CB ARG A 110 5.993 8.430 10.525 1.00 0.00 C ATOM 1725 CG ARG A 110 4.766 9.282 10.252 1.00 0.00 C ATOM 1726 CD ARG A 110 3.588 8.853 11.111 1.00 0.00 C ATOM 1727 NE ARG A 110 3.806 9.144 12.525 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.833 9.188 13.432 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.573 8.962 13.077 1.00 0.00 N ATOM 1730 NH2 ARG A 110 3.118 9.459 14.699 1.00 0.00 N ATOM 0 H ARG A 110 6.064 8.922 8.101 1.00 0.00 H new ATOM 0 HA ARG A 110 7.544 9.893 10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.793 7.408 10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 110 6.170 8.398 11.600 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.998 10.329 10.447 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.496 9.206 9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.687 9.363 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.417 7.784 10.983 1.00 0.00 H new ATOM 0 HE ARG A 110 4.761 9.324 12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.347 8.753 12.105 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.832 8.997 13.777 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.083 9.634 14.978 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.372 9.493 15.394 1.00 0.00 H new ATOM 1744 N TYR A 111 8.602 7.052 9.085 1.00 0.00 N ATOM 1745 CA TYR A 111 9.660 6.053 9.178 1.00 0.00 C ATOM 1746 C TYR A 111 10.833 6.413 8.269 1.00 0.00 C ATOM 1747 O TYR A 111 11.585 5.540 7.837 1.00 0.00 O ATOM 1748 CB TYR A 111 9.124 4.667 8.807 1.00 0.00 C ATOM 1749 CG TYR A 111 7.663 4.464 9.148 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.241 4.399 10.470 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.708 4.340 8.147 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.907 4.216 10.785 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.372 4.157 8.454 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.978 4.096 9.773 1.00 0.00 C ATOM 1755 OH TYR A 111 3.650 3.913 10.084 1.00 0.00 O ATOM 0 H TYR A 111 8.047 7.001 8.230 1.00 0.00 H new ATOM 0 HA TYR A 111 10.012 6.035 10.209 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.263 4.509 7.738 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.716 3.910 9.321 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.966 4.493 11.265 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.014 4.387 7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.595 4.167 11.818 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.641 4.062 7.664 1.00 0.00 H new ATOM 0 HH TYR A 111 3.452 4.346 10.941 1.00 0.00 H new ATOM 1765 N LYS A 112 10.983 7.703 7.983 1.00 0.00 N ATOM 1766 CA LYS A 112 12.065 8.174 7.126 1.00 0.00 C ATOM 1767 C LYS A 112 12.750 9.392 7.736 1.00 0.00 C ATOM 1768 O LYS A 112 13.919 9.335 8.115 1.00 0.00 O ATOM 1769 CB LYS A 112 11.528 8.519 5.736 1.00 0.00 C ATOM 1770 CG LYS A 112 10.586 7.469 5.169 1.00 0.00 C ATOM 1771 CD LYS A 112 10.738 7.339 3.663 1.00 0.00 C ATOM 1772 CE LYS A 112 9.741 8.218 2.925 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.432 7.688 1.567 1.00 0.00 N ATOM 0 H LYS A 112 10.370 8.440 8.332 1.00 0.00 H new ATOM 0 HA LYS A 112 12.799 7.374 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.006 9.475 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.368 8.648 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.786 6.507 5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.557 7.734 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.752 7.615 3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.594 6.299 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.821 8.289 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.142 9.228 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.749 8.315 1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.306 7.644 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.026 6.734 1.651 1.00 0.00 H new