USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 598 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 92 ASN : amide:sc= -1.51 K(o=-2.2,f=0.58) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.737! K(o=-2.2!,f=0.33) USER MOD Single : A 30 SER OG : rot 111:sc= 0.0663 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 32 THR OG1 : rot 140:sc= 0.535 USER MOD Single : A 44 GLN : amide:sc= 0.0555 K(o=0.055,f=-1.7) USER MOD Single : A 46 SER OG : rot 66:sc= 0.818 USER MOD Single : A 49 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 58 MET CE :methyl -171:sc= -0.801 (180deg=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.2) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 1.93 (180deg=1.71) USER MOD Single : A 65 ASN : amide:sc= 0.449 K(o=0.45,f=-0.19) USER MOD Single : A 77 SER OG : rot -142:sc= 1.12 USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0.823 (180deg=0.658) USER MOD Single : A 86 HIS : no HE2:sc= 0.547 K(o=0.55,f=-3.1!) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= 0.804 (180deg=0.566) USER MOD Single : A 89 SER OG : rot 44:sc= 0.123 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.577 USER MOD Single : A 101 LYS NZ :NH3+ 156:sc= 2.94 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 28 6.611 15.082 10.584 1.00 0.00 N ATOM 2 CA GLU A 28 6.140 14.724 9.213 1.00 0.00 C ATOM 3 C GLU A 28 6.693 13.355 8.787 1.00 0.00 C ATOM 4 O GLU A 28 7.544 12.774 9.461 1.00 0.00 O ATOM 5 CB GLU A 28 6.474 15.816 8.172 1.00 0.00 C ATOM 6 CG GLU A 28 5.607 17.086 8.237 1.00 0.00 C ATOM 7 CD GLU A 28 5.979 18.010 9.410 1.00 0.00 C ATOM 8 OE1 GLU A 28 5.604 17.688 10.562 1.00 0.00 O ATOM 9 OE2 GLU A 28 6.664 19.038 9.194 1.00 0.00 O ATOM 0 HA GLU A 28 5.053 14.656 9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.518 16.104 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.379 15.384 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.709 17.637 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.559 16.799 8.326 1.00 0.00 H new ATOM 16 N LEU A 29 6.197 12.828 7.662 1.00 0.00 N ATOM 17 CA LEU A 29 6.519 11.515 7.084 1.00 0.00 C ATOM 18 C LEU A 29 6.542 11.638 5.542 1.00 0.00 C ATOM 19 O LEU A 29 6.437 12.731 4.982 1.00 0.00 O ATOM 20 CB LEU A 29 5.457 10.501 7.591 1.00 0.00 C ATOM 21 CG LEU A 29 5.923 9.106 8.069 1.00 0.00 C ATOM 22 CD1 LEU A 29 6.647 8.241 7.043 1.00 0.00 C ATOM 23 CD2 LEU A 29 6.839 9.201 9.278 1.00 0.00 C ATOM 0 H LEU A 29 5.519 13.336 7.095 1.00 0.00 H new ATOM 0 HA LEU A 29 7.503 11.161 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.921 10.970 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.736 10.350 6.788 1.00 0.00 H new ATOM 0 HG LEU A 29 4.974 8.620 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.922 7.290 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.990 8.059 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.547 8.755 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.144 8.200 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.721 9.787 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.309 9.684 10.099 1.00 0.00 H new ATOM 35 N SER A 30 6.637 10.512 4.842 1.00 0.00 N ATOM 36 CA SER A 30 6.477 10.402 3.387 1.00 0.00 C ATOM 37 C SER A 30 5.045 10.704 2.883 1.00 0.00 C ATOM 38 O SER A 30 4.823 10.713 1.673 1.00 0.00 O ATOM 39 CB SER A 30 6.873 8.987 2.937 1.00 0.00 C ATOM 40 OG SER A 30 7.909 8.416 3.727 1.00 0.00 O ATOM 0 H SER A 30 6.835 9.615 5.285 1.00 0.00 H new ATOM 0 HA SER A 30 7.128 11.161 2.952 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.996 8.341 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.195 9.021 1.896 1.00 0.00 H new ATOM 0 HG SER A 30 7.546 7.675 4.256 1.00 0.00 H new ATOM 46 N ASN A 31 4.082 10.917 3.791 1.00 0.00 N ATOM 47 CA ASN A 31 2.662 11.308 3.655 1.00 0.00 C ATOM 48 C ASN A 31 1.753 10.619 2.604 1.00 0.00 C ATOM 49 O ASN A 31 0.553 10.898 2.597 1.00 0.00 O ATOM 50 CB ASN A 31 2.540 12.836 3.521 1.00 0.00 C ATOM 51 CG ASN A 31 3.349 13.631 4.534 1.00 0.00 C ATOM 52 OD1 ASN A 31 3.458 13.291 5.707 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.945 14.721 4.112 1.00 0.00 N ATOM 0 H ASN A 31 4.310 10.804 4.779 1.00 0.00 H new ATOM 0 HA ASN A 31 2.254 10.914 4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.855 13.125 2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.490 13.113 3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.497 15.283 4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.856 15.006 3.137 1.00 0.00 H new ATOM 60 N THR A 32 2.244 9.730 1.726 1.00 0.00 N ATOM 61 CA THR A 32 1.475 9.280 0.548 1.00 0.00 C ATOM 62 C THR A 32 1.670 7.815 0.114 1.00 0.00 C ATOM 63 O THR A 32 1.414 7.500 -1.042 1.00 0.00 O ATOM 64 CB THR A 32 1.769 10.195 -0.668 1.00 0.00 C ATOM 65 OG1 THR A 32 3.058 9.965 -1.188 1.00 0.00 O ATOM 66 CG2 THR A 32 1.718 11.695 -0.385 1.00 0.00 C ATOM 0 H THR A 32 3.169 9.307 1.807 1.00 0.00 H new ATOM 0 HA THR A 32 0.439 9.349 0.881 1.00 0.00 H new ATOM 0 HB THR A 32 0.970 9.931 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.024 9.983 -2.167 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.938 12.246 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.724 11.965 -0.029 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.456 11.947 0.376 1.00 0.00 H new ATOM 74 N ARG A 33 2.112 6.888 0.986 1.00 0.00 N ATOM 75 CA ARG A 33 2.592 5.559 0.539 1.00 0.00 C ATOM 76 C ARG A 33 2.031 4.350 1.284 1.00 0.00 C ATOM 77 O ARG A 33 2.105 4.209 2.497 1.00 0.00 O ATOM 78 CB ARG A 33 4.114 5.463 0.621 1.00 0.00 C ATOM 79 CG ARG A 33 4.976 6.171 -0.410 1.00 0.00 C ATOM 80 CD ARG A 33 5.255 7.657 -0.170 1.00 0.00 C ATOM 81 NE ARG A 33 6.012 8.212 -1.310 1.00 0.00 N ATOM 82 CZ ARG A 33 6.343 9.463 -1.579 1.00 0.00 C ATOM 83 NH1 ARG A 33 6.138 10.451 -0.760 1.00 0.00 N ATOM 84 NH2 ARG A 33 6.903 9.756 -2.720 1.00 0.00 N ATOM 0 H ARG A 33 2.148 7.030 1.995 1.00 0.00 H new ATOM 0 HA ARG A 33 2.221 5.508 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.410 5.835 1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.374 4.405 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.932 5.651 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.496 6.068 -1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.317 8.198 -0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.821 7.786 0.752 1.00 0.00 H new ATOM 0 HE ARG A 33 6.328 7.525 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.700 10.281 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.415 11.397 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.085 9.020 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.159 10.721 -2.930 1.00 0.00 H new ATOM 98 N LEU A 34 1.555 3.388 0.516 1.00 0.00 N ATOM 99 CA LEU A 34 0.810 2.255 1.019 1.00 0.00 C ATOM 100 C LEU A 34 1.663 0.989 1.000 1.00 0.00 C ATOM 101 O LEU A 34 1.995 0.467 -0.060 1.00 0.00 O ATOM 102 CB LEU A 34 -0.515 2.126 0.273 1.00 0.00 C ATOM 103 CG LEU A 34 -1.299 3.425 -0.055 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.378 4.468 1.067 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.801 4.089 -1.347 1.00 0.00 C ATOM 0 H LEU A 34 1.680 3.375 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 34 0.556 2.416 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.320 1.608 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.168 1.482 0.862 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.319 3.064 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.949 5.330 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.870 4.031 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.372 4.785 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.378 4.994 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.253 4.346 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.924 3.399 -2.182 1.00 0.00 H new ATOM 117 N PHE A 35 2.014 0.509 2.186 1.00 0.00 N ATOM 118 CA PHE A 35 2.966 -0.564 2.422 1.00 0.00 C ATOM 119 C PHE A 35 2.157 -1.810 2.752 1.00 0.00 C ATOM 120 O PHE A 35 1.519 -1.984 3.782 1.00 0.00 O ATOM 121 CB PHE A 35 4.024 -0.110 3.423 1.00 0.00 C ATOM 122 CG PHE A 35 5.055 -1.147 3.850 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.398 -2.233 3.016 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.741 -0.982 5.072 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.400 -3.140 3.396 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.746 -1.890 5.445 1.00 0.00 C ATOM 127 CZ PHE A 35 7.076 -2.967 4.611 1.00 0.00 C ATOM 0 H PHE A 35 1.621 0.878 3.052 1.00 0.00 H new ATOM 0 HA PHE A 35 3.569 -0.829 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.555 0.740 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.514 0.250 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.884 -2.368 2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.493 -0.156 5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.650 -3.970 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.268 -1.757 6.381 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.849 -3.662 4.904 1.00 0.00 H new ATOM 137 N VAL A 36 2.104 -2.650 1.733 1.00 0.00 N ATOM 138 CA VAL A 36 1.114 -3.693 1.557 1.00 0.00 C ATOM 139 C VAL A 36 1.872 -4.992 1.334 1.00 0.00 C ATOM 140 O VAL A 36 2.303 -5.325 0.233 1.00 0.00 O ATOM 141 CB VAL A 36 0.228 -3.123 0.436 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.761 -3.992 -0.275 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.658 -2.009 1.032 1.00 0.00 C ATOM 0 H VAL A 36 2.782 -2.620 0.972 1.00 0.00 H new ATOM 0 HA VAL A 36 0.451 -3.951 2.382 1.00 0.00 H new ATOM 0 HB VAL A 36 0.987 -2.859 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.286 -3.405 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.239 -4.818 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.480 -4.387 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.294 -1.593 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.281 -2.424 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.026 -1.222 1.443 1.00 0.00 H new ATOM 153 N ARG A 37 2.122 -5.678 2.456 1.00 0.00 N ATOM 154 CA ARG A 37 3.052 -6.818 2.572 1.00 0.00 C ATOM 155 C ARG A 37 2.536 -8.157 3.167 1.00 0.00 C ATOM 156 O ARG A 37 3.372 -8.960 3.585 1.00 0.00 O ATOM 157 CB ARG A 37 4.313 -6.292 3.286 1.00 0.00 C ATOM 158 CG ARG A 37 4.062 -5.634 4.653 1.00 0.00 C ATOM 159 CD ARG A 37 5.288 -5.783 5.568 1.00 0.00 C ATOM 160 NE ARG A 37 5.186 -4.914 6.753 1.00 0.00 N ATOM 161 CZ ARG A 37 6.161 -4.607 7.596 1.00 0.00 C ATOM 162 NH1 ARG A 37 7.370 -5.065 7.473 1.00 0.00 N ATOM 163 NH2 ARG A 37 5.973 -3.805 8.595 1.00 0.00 N ATOM 0 H ARG A 37 1.669 -5.450 3.341 1.00 0.00 H new ATOM 0 HA ARG A 37 3.244 -7.152 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.007 -7.121 3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.804 -5.568 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.832 -4.577 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.193 -6.090 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.383 -6.822 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.191 -5.536 5.011 1.00 0.00 H new ATOM 0 HE ARG A 37 4.271 -4.507 6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.603 -5.690 6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.087 -4.800 8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.054 -3.390 8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.744 -3.588 9.227 1.00 0.00 H new ATOM 177 N PRO A 38 1.222 -8.468 3.227 1.00 0.00 N ATOM 178 CA PRO A 38 0.740 -9.738 3.782 1.00 0.00 C ATOM 179 C PRO A 38 0.881 -10.948 2.849 1.00 0.00 C ATOM 180 O PRO A 38 0.958 -12.083 3.326 1.00 0.00 O ATOM 181 CB PRO A 38 -0.753 -9.509 4.018 1.00 0.00 C ATOM 182 CG PRO A 38 -1.140 -8.572 2.896 1.00 0.00 C ATOM 183 CD PRO A 38 0.078 -7.655 2.838 1.00 0.00 C ATOM 0 HA PRO A 38 1.331 -9.979 4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.315 -10.442 3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.943 -9.067 4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.302 -9.101 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.057 -8.024 3.115 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.212 -7.250 1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.042 -6.806 3.511 1.00 0.00 H new ATOM 191 N PHE A 39 0.844 -10.707 1.542 1.00 0.00 N ATOM 192 CA PHE A 39 0.705 -11.723 0.502 1.00 0.00 C ATOM 193 C PHE A 39 2.006 -12.462 0.186 1.00 0.00 C ATOM 194 O PHE A 39 3.100 -11.973 0.481 1.00 0.00 O ATOM 195 CB PHE A 39 0.229 -11.082 -0.809 1.00 0.00 C ATOM 196 CG PHE A 39 -0.456 -9.742 -0.719 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.323 -8.579 -0.607 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.857 -9.646 -0.787 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.304 -7.332 -0.615 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.476 -8.385 -0.805 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.699 -7.224 -0.735 1.00 0.00 C ATOM 0 H PHE A 39 0.913 -9.763 1.163 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.016 -12.438 0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.093 -10.975 -1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.455 -11.778 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.397 -8.649 -0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.458 -10.543 -0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.293 -6.436 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.551 -8.312 -0.873 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.168 -6.252 -0.773 1.00 0.00 H new ATOM 211 N PRO A 40 1.894 -13.630 -0.456 1.00 0.00 N ATOM 212 CA PRO A 40 3.025 -14.264 -1.102 1.00 0.00 C ATOM 213 C PRO A 40 3.459 -13.566 -2.407 1.00 0.00 C ATOM 214 O PRO A 40 3.006 -12.468 -2.735 1.00 0.00 O ATOM 215 CB PRO A 40 2.575 -15.706 -1.369 1.00 0.00 C ATOM 216 CG PRO A 40 1.431 -15.956 -0.400 1.00 0.00 C ATOM 217 CD PRO A 40 0.801 -14.576 -0.264 1.00 0.00 C ATOM 0 HA PRO A 40 3.907 -14.209 -0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.250 -15.832 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.391 -16.410 -1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.723 -16.688 -0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.787 -16.335 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.018 -14.427 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.340 -14.450 0.715 1.00 0.00 H new ATOM 225 N LEU A 41 4.322 -14.227 -3.192 1.00 0.00 N ATOM 226 CA LEU A 41 4.751 -13.845 -4.551 1.00 0.00 C ATOM 227 C LEU A 41 3.618 -13.981 -5.608 1.00 0.00 C ATOM 228 O LEU A 41 3.812 -14.471 -6.718 1.00 0.00 O ATOM 229 CB LEU A 41 6.021 -14.642 -4.924 1.00 0.00 C ATOM 230 CG LEU A 41 7.318 -14.111 -4.287 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.431 -14.313 -2.769 1.00 0.00 C ATOM 232 CD2 LEU A 41 8.501 -14.822 -4.929 1.00 0.00 C ATOM 0 H LEU A 41 4.766 -15.091 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 41 4.994 -12.782 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.883 -15.681 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.134 -14.634 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 41 7.309 -13.035 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.379 -13.906 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.608 -13.799 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.386 -15.378 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.428 -14.456 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.417 -15.895 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.506 -14.624 -6.001 1.00 0.00 H new ATOM 244 N ASP A 42 2.414 -13.559 -5.226 1.00 0.00 N ATOM 245 CA ASP A 42 1.167 -13.610 -5.998 1.00 0.00 C ATOM 246 C ASP A 42 0.377 -12.286 -6.068 1.00 0.00 C ATOM 247 O ASP A 42 -0.677 -12.230 -6.707 1.00 0.00 O ATOM 248 CB ASP A 42 0.290 -14.755 -5.482 1.00 0.00 C ATOM 249 CG ASP A 42 -0.202 -14.643 -4.025 1.00 0.00 C ATOM 250 OD1 ASP A 42 -0.259 -13.526 -3.466 1.00 0.00 O ATOM 251 OD2 ASP A 42 -0.571 -15.695 -3.455 1.00 0.00 O ATOM 0 H ASP A 42 2.271 -13.143 -4.306 1.00 0.00 H new ATOM 0 HA ASP A 42 1.463 -13.793 -7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.582 -14.836 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.850 -15.685 -5.582 1.00 0.00 H new ATOM 256 N VAL A 43 0.893 -11.213 -5.460 1.00 0.00 N ATOM 257 CA VAL A 43 0.387 -9.838 -5.617 1.00 0.00 C ATOM 258 C VAL A 43 1.176 -9.115 -6.715 1.00 0.00 C ATOM 259 O VAL A 43 2.396 -9.253 -6.821 1.00 0.00 O ATOM 260 CB VAL A 43 0.410 -9.055 -4.289 1.00 0.00 C ATOM 261 CG1 VAL A 43 1.825 -8.970 -3.712 1.00 0.00 C ATOM 262 CG2 VAL A 43 -0.195 -7.647 -4.433 1.00 0.00 C ATOM 0 H VAL A 43 1.693 -11.274 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.659 -9.893 -5.919 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.214 -9.613 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.803 -8.411 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.203 -9.975 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.478 -8.463 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.157 -7.134 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.374 -7.080 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.232 -7.728 -4.760 1.00 0.00 H new ATOM 272 N GLN A 44 0.471 -8.339 -7.535 1.00 0.00 N ATOM 273 CA GLN A 44 1.024 -7.528 -8.618 1.00 0.00 C ATOM 274 C GLN A 44 0.196 -6.246 -8.769 1.00 0.00 C ATOM 275 O GLN A 44 -0.842 -6.074 -8.128 1.00 0.00 O ATOM 276 CB GLN A 44 1.037 -8.301 -9.953 1.00 0.00 C ATOM 277 CG GLN A 44 1.862 -9.598 -10.014 1.00 0.00 C ATOM 278 CD GLN A 44 1.290 -10.834 -9.309 1.00 0.00 C ATOM 279 OE1 GLN A 44 2.022 -11.704 -8.854 1.00 0.00 O ATOM 280 NE2 GLN A 44 -0.007 -11.002 -9.193 1.00 0.00 N ATOM 0 H GLN A 44 -0.543 -8.254 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 44 2.055 -7.279 -8.366 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.006 -8.545 -10.210 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.408 -7.629 -10.727 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.016 -9.850 -11.063 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.844 -9.392 -9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.647 -10.298 -9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.374 -11.836 -8.736 1.00 0.00 H new ATOM 289 N GLU A 45 0.616 -5.346 -9.664 1.00 0.00 N ATOM 290 CA GLU A 45 -0.120 -4.116 -9.970 1.00 0.00 C ATOM 291 C GLU A 45 -1.596 -4.337 -10.344 1.00 0.00 C ATOM 292 O GLU A 45 -2.411 -3.461 -10.079 1.00 0.00 O ATOM 293 CB GLU A 45 0.620 -3.308 -11.052 1.00 0.00 C ATOM 294 CG GLU A 45 0.422 -3.818 -12.488 1.00 0.00 C ATOM 295 CD GLU A 45 0.893 -5.268 -12.701 1.00 0.00 C ATOM 296 OE1 GLU A 45 2.113 -5.538 -12.585 1.00 0.00 O ATOM 297 OE2 GLU A 45 0.038 -6.146 -12.965 1.00 0.00 O ATOM 0 H GLU A 45 1.479 -5.451 -10.198 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.149 -3.541 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.288 -2.271 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.686 -3.313 -10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.634 -3.747 -12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.963 -3.165 -13.174 1.00 0.00 H new ATOM 304 N SER A 46 -1.964 -5.493 -10.899 1.00 0.00 N ATOM 305 CA SER A 46 -3.351 -5.856 -11.226 1.00 0.00 C ATOM 306 C SER A 46 -4.210 -6.168 -9.985 1.00 0.00 C ATOM 307 O SER A 46 -5.407 -5.870 -9.949 1.00 0.00 O ATOM 308 CB SER A 46 -3.349 -7.079 -12.150 1.00 0.00 C ATOM 309 OG SER A 46 -2.743 -6.771 -13.398 1.00 0.00 O ATOM 0 H SER A 46 -1.293 -6.222 -11.141 1.00 0.00 H new ATOM 0 HA SER A 46 -3.796 -4.989 -11.715 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.812 -7.899 -11.673 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.372 -7.419 -12.312 1.00 0.00 H new ATOM 0 HG SER A 46 -1.794 -6.571 -13.260 1.00 0.00 H new ATOM 315 N GLU A 47 -3.611 -6.717 -8.931 1.00 0.00 N ATOM 316 CA GLU A 47 -4.280 -7.086 -7.691 1.00 0.00 C ATOM 317 C GLU A 47 -4.403 -5.838 -6.817 1.00 0.00 C ATOM 318 O GLU A 47 -5.434 -5.572 -6.199 1.00 0.00 O ATOM 319 CB GLU A 47 -3.403 -8.142 -7.009 1.00 0.00 C ATOM 320 CG GLU A 47 -3.632 -9.556 -7.564 1.00 0.00 C ATOM 321 CD GLU A 47 -3.315 -9.715 -9.057 1.00 0.00 C ATOM 322 OE1 GLU A 47 -2.198 -9.339 -9.482 1.00 0.00 O ATOM 323 OE2 GLU A 47 -4.171 -10.237 -9.814 1.00 0.00 O ATOM 0 H GLU A 47 -2.612 -6.923 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.279 -7.486 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.354 -7.873 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.606 -8.140 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.018 -10.258 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.672 -9.834 -7.395 1.00 0.00 H new ATOM 330 N LEU A 48 -3.365 -5.003 -6.870 1.00 0.00 N ATOM 331 CA LEU A 48 -3.413 -3.668 -6.330 1.00 0.00 C ATOM 332 C LEU A 48 -4.442 -2.843 -7.109 1.00 0.00 C ATOM 333 O LEU A 48 -5.193 -2.105 -6.507 1.00 0.00 O ATOM 334 CB LEU A 48 -2.011 -3.080 -6.421 1.00 0.00 C ATOM 335 CG LEU A 48 -0.949 -3.857 -5.640 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.430 -3.379 -6.014 1.00 0.00 C ATOM 337 CD2 LEU A 48 -1.036 -3.611 -4.155 1.00 0.00 C ATOM 0 H LEU A 48 -2.469 -5.246 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.725 -3.666 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.715 -3.037 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.036 -2.054 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.123 -4.906 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.175 -3.941 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.591 -3.532 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.523 -2.318 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.262 -4.184 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.893 -2.549 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.016 -3.921 -3.792 1.00 0.00 H new ATOM 349 N ASN A 49 -4.580 -3.007 -8.426 1.00 0.00 N ATOM 350 CA ASN A 49 -5.666 -2.343 -9.177 1.00 0.00 C ATOM 351 C ASN A 49 -7.065 -2.781 -8.712 1.00 0.00 C ATOM 352 O ASN A 49 -7.955 -1.940 -8.581 1.00 0.00 O ATOM 353 CB ASN A 49 -5.516 -2.527 -10.697 1.00 0.00 C ATOM 354 CG ASN A 49 -4.872 -1.328 -11.369 1.00 0.00 C ATOM 355 OD1 ASN A 49 -5.535 -0.462 -11.927 1.00 0.00 O ATOM 356 ND2 ASN A 49 -3.564 -1.244 -11.354 1.00 0.00 N ATOM 0 H ASN A 49 -3.964 -3.586 -8.997 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.570 -1.280 -8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.916 -3.415 -10.894 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.498 -2.702 -11.137 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.098 -0.458 -11.807 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.012 -1.965 -10.889 1.00 0.00 H new ATOM 363 N GLU A 50 -7.267 -4.061 -8.387 1.00 0.00 N ATOM 364 CA GLU A 50 -8.511 -4.532 -7.749 1.00 0.00 C ATOM 365 C GLU A 50 -8.779 -3.904 -6.366 1.00 0.00 C ATOM 366 O GLU A 50 -9.924 -3.578 -6.048 1.00 0.00 O ATOM 367 CB GLU A 50 -8.475 -6.062 -7.630 1.00 0.00 C ATOM 368 CG GLU A 50 -8.949 -6.780 -8.904 1.00 0.00 C ATOM 369 CD GLU A 50 -10.476 -6.677 -9.100 1.00 0.00 C ATOM 370 OE1 GLU A 50 -11.224 -7.501 -8.520 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.941 -5.781 -9.841 1.00 0.00 O ATOM 0 H GLU A 50 -6.583 -4.798 -8.555 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.332 -4.212 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.458 -6.378 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.102 -6.370 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.444 -6.351 -9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.661 -7.830 -8.855 1.00 0.00 H new ATOM 378 N ILE A 51 -7.737 -3.723 -5.545 1.00 0.00 N ATOM 379 CA ILE A 51 -7.843 -3.248 -4.149 1.00 0.00 C ATOM 380 C ILE A 51 -7.835 -1.706 -4.025 1.00 0.00 C ATOM 381 O ILE A 51 -8.538 -1.157 -3.177 1.00 0.00 O ATOM 382 CB ILE A 51 -6.678 -3.879 -3.359 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.837 -5.415 -3.226 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.497 -3.260 -1.957 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.549 -6.133 -2.796 1.00 0.00 C ATOM 0 H ILE A 51 -6.775 -3.905 -5.833 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.806 -3.556 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.783 -3.660 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.622 -5.629 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.168 -5.822 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.663 -3.745 -1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.293 -2.194 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.408 -3.404 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.736 -7.204 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.767 -5.950 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.228 -5.755 -1.825 1.00 0.00 H new ATOM 397 N PHE A 52 -7.061 -1.013 -4.871 1.00 0.00 N ATOM 398 CA PHE A 52 -6.756 0.428 -4.834 1.00 0.00 C ATOM 399 C PHE A 52 -7.493 1.233 -5.909 1.00 0.00 C ATOM 400 O PHE A 52 -7.684 2.441 -5.772 1.00 0.00 O ATOM 401 CB PHE A 52 -5.272 0.698 -5.029 1.00 0.00 C ATOM 402 CG PHE A 52 -4.373 0.281 -3.904 1.00 0.00 C ATOM 403 CD1 PHE A 52 -4.134 -1.080 -3.645 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.701 1.261 -3.153 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.156 -1.467 -2.731 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.677 0.870 -2.289 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.364 -0.487 -2.132 1.00 0.00 C ATOM 0 H PHE A 52 -6.598 -1.474 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.088 0.746 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.947 0.188 -5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.137 1.766 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.714 -1.832 -4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.973 2.302 -3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.013 -2.510 -2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.123 1.617 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.505 -0.776 -1.544 1.00 0.00 H new ATOM 417 N GLY A 53 -7.942 0.574 -6.983 1.00 0.00 N ATOM 418 CA GLY A 53 -8.841 1.152 -7.978 1.00 0.00 C ATOM 419 C GLY A 53 -10.100 1.836 -7.402 1.00 0.00 C ATOM 420 O GLY A 53 -10.503 2.859 -7.967 1.00 0.00 O ATOM 0 H GLY A 53 -7.684 -0.392 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.286 1.883 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.155 0.364 -8.663 1.00 0.00 H new ATOM 424 N PRO A 54 -10.709 1.370 -6.281 1.00 0.00 N ATOM 425 CA PRO A 54 -11.784 2.102 -5.604 1.00 0.00 C ATOM 426 C PRO A 54 -11.359 3.480 -5.055 1.00 0.00 C ATOM 427 O PRO A 54 -12.199 4.373 -4.918 1.00 0.00 O ATOM 428 CB PRO A 54 -12.255 1.191 -4.454 1.00 0.00 C ATOM 429 CG PRO A 54 -11.760 -0.198 -4.849 1.00 0.00 C ATOM 430 CD PRO A 54 -10.445 0.141 -5.538 1.00 0.00 C ATOM 0 HA PRO A 54 -12.573 2.324 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.835 1.506 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.340 1.212 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.616 -0.845 -3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.455 -0.708 -5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.645 0.284 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.131 -0.662 -6.204 1.00 0.00 H new ATOM 438 N PHE A 55 -10.071 3.670 -4.734 1.00 0.00 N ATOM 439 CA PHE A 55 -9.518 4.921 -4.189 1.00 0.00 C ATOM 440 C PHE A 55 -9.326 5.935 -5.312 1.00 0.00 C ATOM 441 O PHE A 55 -9.758 7.087 -5.200 1.00 0.00 O ATOM 442 CB PHE A 55 -8.153 4.677 -3.518 1.00 0.00 C ATOM 443 CG PHE A 55 -8.050 3.485 -2.595 1.00 0.00 C ATOM 444 CD1 PHE A 55 -9.201 2.936 -2.001 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.800 2.866 -2.407 1.00 0.00 C ATOM 446 CE1 PHE A 55 -9.117 1.748 -1.269 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.702 1.735 -1.572 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.869 1.165 -1.031 1.00 0.00 C ATOM 0 H PHE A 55 -9.367 2.941 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.221 5.300 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.404 4.565 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.889 5.570 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.153 3.434 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.921 3.255 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.014 1.282 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.736 1.308 -1.348 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.800 0.272 -0.428 1.00 0.00 H new ATOM 458 N GLY A 56 -8.669 5.477 -6.379 1.00 0.00 N ATOM 459 CA GLY A 56 -8.591 6.167 -7.650 1.00 0.00 C ATOM 460 C GLY A 56 -7.189 6.554 -8.143 1.00 0.00 C ATOM 461 O GLY A 56 -6.734 6.004 -9.152 1.00 0.00 O ATOM 0 H GLY A 56 -8.165 4.590 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.056 5.536 -8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.189 7.075 -7.581 1.00 0.00 H new ATOM 465 N PRO A 57 -6.478 7.475 -7.464 1.00 0.00 N ATOM 466 CA PRO A 57 -5.264 8.104 -7.987 1.00 0.00 C ATOM 467 C PRO A 57 -3.943 7.346 -7.739 1.00 0.00 C ATOM 468 O PRO A 57 -2.906 7.998 -7.792 1.00 0.00 O ATOM 469 CB PRO A 57 -5.277 9.506 -7.354 1.00 0.00 C ATOM 470 CG PRO A 57 -5.844 9.232 -5.972 1.00 0.00 C ATOM 471 CD PRO A 57 -6.907 8.173 -6.250 1.00 0.00 C ATOM 0 HA PRO A 57 -5.285 8.115 -9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.278 9.939 -7.305 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.899 10.201 -7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.080 8.868 -5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.273 10.129 -5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.995 7.480 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.886 8.631 -6.389 1.00 0.00 H new ATOM 479 N MET A 58 -3.944 6.025 -7.472 1.00 0.00 N ATOM 480 CA MET A 58 -2.764 5.111 -7.400 1.00 0.00 C ATOM 481 C MET A 58 -1.684 5.463 -8.448 1.00 0.00 C ATOM 482 O MET A 58 -1.716 5.024 -9.599 1.00 0.00 O ATOM 483 CB MET A 58 -3.214 3.644 -7.434 1.00 0.00 C ATOM 484 CG MET A 58 -4.210 3.294 -8.551 1.00 0.00 C ATOM 485 SD MET A 58 -4.879 1.605 -8.536 1.00 0.00 S ATOM 486 CE MET A 58 -3.417 0.648 -8.060 1.00 0.00 C ATOM 0 H MET A 58 -4.816 5.528 -7.288 1.00 0.00 H new ATOM 0 HA MET A 58 -2.271 5.260 -6.439 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.333 3.012 -7.543 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.667 3.397 -6.474 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.045 3.993 -8.496 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.719 3.459 -9.510 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.629 -0.416 -8.164 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.581 0.916 -8.705 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.160 0.867 -7.024 1.00 0.00 H new ATOM 496 N LYS A 59 -0.745 6.317 -8.028 1.00 0.00 N ATOM 497 CA LYS A 59 0.227 7.044 -8.829 1.00 0.00 C ATOM 498 C LYS A 59 1.528 6.283 -9.029 1.00 0.00 C ATOM 499 O LYS A 59 2.146 6.393 -10.092 1.00 0.00 O ATOM 500 CB LYS A 59 0.444 8.326 -8.022 1.00 0.00 C ATOM 501 CG LYS A 59 1.162 9.497 -8.660 1.00 0.00 C ATOM 502 CD LYS A 59 2.684 9.473 -8.552 1.00 0.00 C ATOM 503 CE LYS A 59 3.307 9.146 -7.188 1.00 0.00 C ATOM 504 NZ LYS A 59 4.791 9.241 -7.241 1.00 0.00 N ATOM 0 H LYS A 59 -0.643 6.530 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.126 7.219 -9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.536 8.679 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.996 8.056 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.891 9.536 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.797 10.417 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.058 8.745 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.056 10.449 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.922 9.833 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.014 8.141 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.200 8.735 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.135 8.814 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.076 10.240 -7.205 1.00 0.00 H new ATOM 518 N GLU A 60 1.926 5.494 -8.034 1.00 0.00 N ATOM 519 CA GLU A 60 3.067 4.587 -8.139 1.00 0.00 C ATOM 520 C GLU A 60 2.823 3.282 -7.411 1.00 0.00 C ATOM 521 O GLU A 60 1.959 3.172 -6.542 1.00 0.00 O ATOM 522 CB GLU A 60 4.382 5.281 -7.733 1.00 0.00 C ATOM 523 CG GLU A 60 5.338 5.463 -8.919 1.00 0.00 C ATOM 524 CD GLU A 60 6.135 4.190 -9.236 1.00 0.00 C ATOM 525 OE1 GLU A 60 5.533 3.192 -9.681 1.00 0.00 O ATOM 526 OE2 GLU A 60 7.365 4.148 -8.999 1.00 0.00 O ATOM 0 H GLU A 60 1.463 5.466 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 60 3.181 4.318 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.157 6.255 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.876 4.694 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.767 5.758 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.031 6.276 -8.701 1.00 0.00 H new ATOM 533 N VAL A 61 3.562 2.277 -7.864 1.00 0.00 N ATOM 534 CA VAL A 61 3.344 0.869 -7.551 1.00 0.00 C ATOM 535 C VAL A 61 4.670 0.133 -7.666 1.00 0.00 C ATOM 536 O VAL A 61 5.285 0.074 -8.735 1.00 0.00 O ATOM 537 CB VAL A 61 2.328 0.258 -8.554 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.821 -1.071 -8.019 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.078 1.094 -8.883 1.00 0.00 C ATOM 0 H VAL A 61 4.359 2.425 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 61 2.948 0.774 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 61 2.905 0.185 -9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.108 -1.499 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.660 -1.755 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.331 -0.913 -7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.454 0.552 -9.594 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.512 1.277 -7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.381 2.046 -9.319 1.00 0.00 H new ATOM 549 N LYS A 62 5.143 -0.407 -6.546 1.00 0.00 N ATOM 550 CA LYS A 62 6.451 -1.055 -6.437 1.00 0.00 C ATOM 551 C LYS A 62 6.216 -2.474 -5.938 1.00 0.00 C ATOM 552 O LYS A 62 5.754 -2.651 -4.818 1.00 0.00 O ATOM 553 CB LYS A 62 7.327 -0.221 -5.485 1.00 0.00 C ATOM 554 CG LYS A 62 7.429 1.283 -5.840 1.00 0.00 C ATOM 555 CD LYS A 62 8.702 1.666 -6.612 1.00 0.00 C ATOM 556 CE LYS A 62 8.882 0.977 -7.976 1.00 0.00 C ATOM 557 NZ LYS A 62 7.855 1.380 -8.972 1.00 0.00 N ATOM 0 H LYS A 62 4.619 -0.407 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 62 6.975 -1.112 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.930 -0.314 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.331 -0.645 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.559 1.564 -6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.387 1.865 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.701 2.745 -6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.567 1.434 -5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.872 1.212 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.842 -0.104 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.086 0.964 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.921 1.042 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.838 2.417 -9.053 1.00 0.00 H new ATOM 571 N ILE A 63 6.466 -3.469 -6.782 1.00 0.00 N ATOM 572 CA ILE A 63 6.145 -4.887 -6.536 1.00 0.00 C ATOM 573 C ILE A 63 7.439 -5.679 -6.305 1.00 0.00 C ATOM 574 O ILE A 63 8.341 -5.678 -7.150 1.00 0.00 O ATOM 575 CB ILE A 63 5.374 -5.532 -7.712 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.228 -4.701 -8.323 1.00 0.00 C ATOM 577 CG2 ILE A 63 4.862 -6.925 -7.300 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.038 -4.400 -7.409 1.00 0.00 C ATOM 0 H ILE A 63 6.911 -3.316 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 63 5.506 -4.920 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 63 6.108 -5.597 -8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.641 -3.753 -8.668 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.857 -5.227 -9.203 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.320 -7.374 -8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.707 -7.559 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.196 -6.829 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.301 -3.810 -7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.584 -5.336 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.380 -3.839 -6.539 1.00 0.00 H new ATOM 590 N LEU A 64 7.521 -6.358 -5.166 1.00 0.00 N ATOM 591 CA LEU A 64 8.652 -7.165 -4.717 1.00 0.00 C ATOM 592 C LEU A 64 8.150 -8.504 -4.153 1.00 0.00 C ATOM 593 O LEU A 64 6.948 -8.725 -4.001 1.00 0.00 O ATOM 594 CB LEU A 64 9.435 -6.414 -3.622 1.00 0.00 C ATOM 595 CG LEU A 64 9.943 -4.983 -3.912 1.00 0.00 C ATOM 596 CD1 LEU A 64 8.919 -3.879 -4.195 1.00 0.00 C ATOM 597 CD2 LEU A 64 10.803 -4.564 -2.732 1.00 0.00 C ATOM 0 H LEU A 64 6.756 -6.361 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 64 9.308 -7.352 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.799 -6.365 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.300 -7.023 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 64 10.469 -5.069 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.439 -2.939 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.331 -4.145 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.258 -3.767 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.182 -3.556 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.204 -4.581 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.640 -5.254 -2.629 1.00 0.00 H new ATOM 609 N ASN A 65 9.085 -9.379 -3.786 1.00 0.00 N ATOM 610 CA ASN A 65 8.857 -10.597 -3.003 1.00 0.00 C ATOM 611 C ASN A 65 7.830 -10.412 -1.872 1.00 0.00 C ATOM 612 O ASN A 65 8.162 -9.863 -0.820 1.00 0.00 O ATOM 613 CB ASN A 65 10.188 -11.100 -2.416 1.00 0.00 C ATOM 614 CG ASN A 65 11.218 -10.022 -2.096 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.328 -10.019 -2.608 1.00 0.00 O ATOM 616 ND2 ASN A 65 10.871 -9.049 -1.283 1.00 0.00 N ATOM 0 H ASN A 65 10.066 -9.255 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 65 8.441 -11.334 -3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.974 -11.655 -1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.632 -11.803 -3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.527 -8.295 -1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.946 -9.048 -0.854 1.00 0.00 H new ATOM 623 N GLY A 66 6.588 -10.853 -2.079 1.00 0.00 N ATOM 624 CA GLY A 66 5.526 -10.749 -1.073 1.00 0.00 C ATOM 625 C GLY A 66 5.020 -9.328 -0.787 1.00 0.00 C ATOM 626 O GLY A 66 4.065 -9.160 -0.021 1.00 0.00 O ATOM 0 H GLY A 66 6.288 -11.293 -2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.682 -11.357 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.890 -11.180 -0.141 1.00 0.00 H new ATOM 630 N PHE A 67 5.629 -8.298 -1.388 1.00 0.00 N ATOM 631 CA PHE A 67 5.401 -6.899 -1.014 1.00 0.00 C ATOM 632 C PHE A 67 4.929 -6.027 -2.187 1.00 0.00 C ATOM 633 O PHE A 67 5.306 -6.204 -3.341 1.00 0.00 O ATOM 634 CB PHE A 67 6.675 -6.285 -0.407 1.00 0.00 C ATOM 635 CG PHE A 67 7.422 -7.044 0.673 1.00 0.00 C ATOM 636 CD1 PHE A 67 6.743 -7.859 1.599 1.00 0.00 C ATOM 637 CD2 PHE A 67 8.818 -6.889 0.799 1.00 0.00 C ATOM 638 CE1 PHE A 67 7.436 -8.505 2.635 1.00 0.00 C ATOM 639 CE2 PHE A 67 9.519 -7.542 1.831 1.00 0.00 C ATOM 640 CZ PHE A 67 8.828 -8.349 2.750 1.00 0.00 C ATOM 0 H PHE A 67 6.296 -8.414 -2.151 1.00 0.00 H new ATOM 0 HA PHE A 67 4.600 -6.914 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.374 -6.105 -1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.406 -5.311 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.674 -7.989 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.353 -6.265 0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.900 -9.121 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.589 -7.422 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.365 -8.848 3.543 1.00 0.00 H new ATOM 650 N ALA A 68 4.167 -5.007 -1.827 1.00 0.00 N ATOM 651 CA ALA A 68 3.703 -3.900 -2.648 1.00 0.00 C ATOM 652 C ALA A 68 3.923 -2.614 -1.845 1.00 0.00 C ATOM 653 O ALA A 68 3.608 -2.536 -0.659 1.00 0.00 O ATOM 654 CB ALA A 68 2.240 -4.125 -2.975 1.00 0.00 C ATOM 0 H ALA A 68 3.828 -4.925 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 68 4.245 -3.824 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.874 -3.303 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.129 -5.063 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.663 -4.170 -2.051 1.00 0.00 H new ATOM 660 N PHE A 69 4.453 -1.600 -2.518 1.00 0.00 N ATOM 661 CA PHE A 69 4.619 -0.265 -1.972 1.00 0.00 C ATOM 662 C PHE A 69 4.008 0.685 -2.981 1.00 0.00 C ATOM 663 O PHE A 69 4.610 1.047 -3.997 1.00 0.00 O ATOM 664 CB PHE A 69 6.069 0.097 -1.573 1.00 0.00 C ATOM 665 CG PHE A 69 6.897 -0.994 -0.917 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.239 -2.129 -1.670 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.382 -0.873 0.396 1.00 0.00 C ATOM 668 CE1 PHE A 69 7.995 -3.154 -1.101 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.217 -1.874 0.929 1.00 0.00 C ATOM 670 CZ PHE A 69 8.530 -3.018 0.171 1.00 0.00 C ATOM 0 H PHE A 69 4.785 -1.688 -3.478 1.00 0.00 H new ATOM 0 HA PHE A 69 4.106 -0.194 -1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.594 0.428 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.031 0.948 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.914 -2.209 -2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.115 -0.015 0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.166 -4.064 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.619 -1.763 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.179 -3.781 0.575 1.00 0.00 H new ATOM 680 N VAL A 70 2.728 0.949 -2.770 1.00 0.00 N ATOM 681 CA VAL A 70 1.925 1.825 -3.614 1.00 0.00 C ATOM 682 C VAL A 70 2.103 3.252 -3.122 1.00 0.00 C ATOM 683 O VAL A 70 2.627 3.498 -2.033 1.00 0.00 O ATOM 684 CB VAL A 70 0.467 1.327 -3.674 1.00 0.00 C ATOM 685 CG1 VAL A 70 -0.361 1.744 -4.877 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.432 -0.168 -3.902 1.00 0.00 C ATOM 0 H VAL A 70 2.205 0.552 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 70 2.258 1.807 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 70 0.077 1.731 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.364 1.325 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.424 2.831 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.110 1.375 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.604 -0.506 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.927 -0.404 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.947 -0.673 -3.085 1.00 0.00 H new ATOM 696 N GLU A 71 1.699 4.217 -3.922 1.00 0.00 N ATOM 697 CA GLU A 71 2.037 5.613 -3.700 1.00 0.00 C ATOM 698 C GLU A 71 1.046 6.521 -4.419 1.00 0.00 C ATOM 699 O GLU A 71 0.496 6.168 -5.466 1.00 0.00 O ATOM 700 CB GLU A 71 3.446 5.804 -4.274 1.00 0.00 C ATOM 701 CG GLU A 71 4.030 7.189 -3.991 1.00 0.00 C ATOM 702 CD GLU A 71 5.543 7.257 -4.229 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.313 6.533 -3.562 1.00 0.00 O ATOM 704 OE2 GLU A 71 5.988 8.151 -4.992 1.00 0.00 O ATOM 0 H GLU A 71 1.124 4.057 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 71 1.999 5.868 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.108 5.046 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.417 5.642 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.534 7.924 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.817 7.464 -2.958 1.00 0.00 H new ATOM 711 N PHE A 72 0.907 7.728 -3.886 1.00 0.00 N ATOM 712 CA PHE A 72 0.151 8.828 -4.464 1.00 0.00 C ATOM 713 C PHE A 72 0.992 10.113 -4.471 1.00 0.00 C ATOM 714 O PHE A 72 2.052 10.187 -3.846 1.00 0.00 O ATOM 715 CB PHE A 72 -1.143 9.001 -3.668 1.00 0.00 C ATOM 716 CG PHE A 72 -1.991 7.767 -3.380 1.00 0.00 C ATOM 717 CD1 PHE A 72 -2.699 7.121 -4.406 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.196 7.358 -2.046 1.00 0.00 C ATOM 719 CE1 PHE A 72 -3.619 6.096 -4.110 1.00 0.00 C ATOM 720 CE2 PHE A 72 -3.130 6.351 -1.755 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.842 5.719 -2.783 1.00 0.00 C ATOM 0 H PHE A 72 1.340 7.977 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.100 8.608 -5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.886 9.457 -2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.768 9.715 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.537 7.413 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.634 7.820 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.152 5.602 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.301 6.061 -0.729 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.559 4.945 -2.551 1.00 0.00 H new ATOM 731 N GLU A 73 0.540 11.129 -5.208 1.00 0.00 N ATOM 732 CA GLU A 73 1.231 12.431 -5.291 1.00 0.00 C ATOM 733 C GLU A 73 0.712 13.484 -4.277 1.00 0.00 C ATOM 734 O GLU A 73 1.296 14.562 -4.155 1.00 0.00 O ATOM 735 CB GLU A 73 1.246 12.951 -6.733 1.00 0.00 C ATOM 736 CG GLU A 73 -0.145 13.145 -7.360 1.00 0.00 C ATOM 737 CD GLU A 73 -0.043 13.648 -8.810 1.00 0.00 C ATOM 738 OE1 GLU A 73 0.389 12.877 -9.703 1.00 0.00 O ATOM 739 OE2 GLU A 73 -0.405 14.820 -9.083 1.00 0.00 O ATOM 0 H GLU A 73 -0.313 11.080 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 73 2.264 12.254 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.776 13.903 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.814 12.255 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.690 12.201 -7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.717 13.857 -6.766 1.00 0.00 H new ATOM 746 N GLU A 74 -0.345 13.171 -3.524 1.00 0.00 N ATOM 747 CA GLU A 74 -0.852 13.958 -2.384 1.00 0.00 C ATOM 748 C GLU A 74 -1.364 13.036 -1.246 1.00 0.00 C ATOM 749 O GLU A 74 -1.246 11.814 -1.347 1.00 0.00 O ATOM 750 CB GLU A 74 -1.886 15.013 -2.841 1.00 0.00 C ATOM 751 CG GLU A 74 -2.947 14.557 -3.859 1.00 0.00 C ATOM 752 CD GLU A 74 -3.630 13.248 -3.442 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.338 13.239 -2.412 1.00 0.00 O ATOM 754 OE2 GLU A 74 -3.428 12.218 -4.132 1.00 0.00 O ATOM 0 H GLU A 74 -0.897 12.330 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.022 14.523 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.403 15.386 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.343 15.855 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.700 15.338 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.478 14.425 -4.834 1.00 0.00 H new ATOM 761 N ALA A 75 -1.877 13.599 -0.148 1.00 0.00 N ATOM 762 CA ALA A 75 -2.180 12.857 1.083 1.00 0.00 C ATOM 763 C ALA A 75 -3.684 12.639 1.373 1.00 0.00 C ATOM 764 O ALA A 75 -4.018 11.984 2.361 1.00 0.00 O ATOM 765 CB ALA A 75 -1.457 13.562 2.237 1.00 0.00 C ATOM 0 H ALA A 75 -2.097 14.593 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.816 11.837 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.661 13.036 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.384 13.562 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.812 14.590 2.315 1.00 0.00 H new ATOM 771 N GLU A 76 -4.609 13.129 0.543 1.00 0.00 N ATOM 772 CA GLU A 76 -6.052 12.839 0.678 1.00 0.00 C ATOM 773 C GLU A 76 -6.381 11.426 0.177 1.00 0.00 C ATOM 774 O GLU A 76 -7.190 10.699 0.757 1.00 0.00 O ATOM 775 CB GLU A 76 -6.884 13.825 -0.146 1.00 0.00 C ATOM 776 CG GLU A 76 -6.613 15.308 0.155 1.00 0.00 C ATOM 777 CD GLU A 76 -6.784 15.662 1.646 1.00 0.00 C ATOM 778 OE1 GLU A 76 -7.844 15.344 2.237 1.00 0.00 O ATOM 779 OE2 GLU A 76 -5.868 16.287 2.233 1.00 0.00 O ATOM 0 H GLU A 76 -4.386 13.739 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.294 12.928 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.694 13.643 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.940 13.621 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.599 15.557 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.290 15.923 -0.439 1.00 0.00 H new ATOM 786 N SER A 77 -5.703 11.027 -0.887 1.00 0.00 N ATOM 787 CA SER A 77 -5.661 9.673 -1.425 1.00 0.00 C ATOM 788 C SER A 77 -5.128 8.669 -0.405 1.00 0.00 C ATOM 789 O SER A 77 -5.735 7.626 -0.169 1.00 0.00 O ATOM 790 CB SER A 77 -4.743 9.714 -2.638 1.00 0.00 C ATOM 791 OG SER A 77 -3.512 10.293 -2.304 1.00 0.00 O ATOM 0 H SER A 77 -5.134 11.675 -1.431 1.00 0.00 H new ATOM 0 HA SER A 77 -6.668 9.348 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.585 8.704 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.214 10.284 -3.439 1.00 0.00 H new ATOM 0 HG SER A 77 -3.199 10.848 -3.048 1.00 0.00 H new ATOM 797 N ALA A 78 -4.032 9.019 0.260 1.00 0.00 N ATOM 798 CA ALA A 78 -3.500 8.255 1.380 1.00 0.00 C ATOM 799 C ALA A 78 -4.495 8.192 2.537 1.00 0.00 C ATOM 800 O ALA A 78 -4.783 7.091 3.004 1.00 0.00 O ATOM 801 CB ALA A 78 -2.139 8.814 1.778 1.00 0.00 C ATOM 0 H ALA A 78 -3.484 9.849 0.034 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.349 7.219 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.742 8.242 2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.455 8.742 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.246 9.859 2.070 1.00 0.00 H new ATOM 807 N ALA A 79 -5.091 9.318 2.954 1.00 0.00 N ATOM 808 CA ALA A 79 -6.124 9.351 3.994 1.00 0.00 C ATOM 809 C ALA A 79 -7.283 8.381 3.708 1.00 0.00 C ATOM 810 O ALA A 79 -7.640 7.573 4.575 1.00 0.00 O ATOM 811 CB ALA A 79 -6.606 10.793 4.200 1.00 0.00 C ATOM 0 H ALA A 79 -4.866 10.238 2.575 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.680 9.000 4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.374 10.813 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.766 11.417 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.021 11.175 3.267 1.00 0.00 H new ATOM 817 N LYS A 80 -7.831 8.382 2.473 1.00 0.00 N ATOM 818 CA LYS A 80 -8.881 7.424 2.140 1.00 0.00 C ATOM 819 C LYS A 80 -8.366 5.993 2.060 1.00 0.00 C ATOM 820 O LYS A 80 -9.027 5.104 2.575 1.00 0.00 O ATOM 821 CB LYS A 80 -9.667 7.831 0.874 1.00 0.00 C ATOM 822 CG LYS A 80 -8.929 7.600 -0.446 1.00 0.00 C ATOM 823 CD LYS A 80 -9.802 7.806 -1.685 1.00 0.00 C ATOM 824 CE LYS A 80 -9.863 9.246 -2.211 1.00 0.00 C ATOM 825 NZ LYS A 80 -10.630 9.310 -3.488 1.00 0.00 N ATOM 0 H LYS A 80 -7.568 9.017 1.720 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.588 7.450 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.604 7.274 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.925 8.887 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.076 8.276 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.532 6.585 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.432 7.161 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.815 7.478 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.332 9.890 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.853 9.624 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.437 10.214 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.341 8.525 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.647 9.236 -3.286 1.00 0.00 H new ATOM 839 N ALA A 81 -7.185 5.767 1.483 1.00 0.00 N ATOM 840 CA ALA A 81 -6.585 4.437 1.386 1.00 0.00 C ATOM 841 C ALA A 81 -6.434 3.831 2.798 1.00 0.00 C ATOM 842 O ALA A 81 -6.863 2.705 3.050 1.00 0.00 O ATOM 843 CB ALA A 81 -5.249 4.529 0.652 1.00 0.00 C ATOM 0 H ALA A 81 -6.616 6.505 1.068 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.231 3.774 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.804 3.537 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.411 4.927 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.577 5.190 1.200 1.00 0.00 H new ATOM 849 N ILE A 82 -5.914 4.617 3.755 1.00 0.00 N ATOM 850 CA ILE A 82 -5.833 4.259 5.175 1.00 0.00 C ATOM 851 C ILE A 82 -7.206 3.838 5.704 1.00 0.00 C ATOM 852 O ILE A 82 -7.388 2.704 6.152 1.00 0.00 O ATOM 853 CB ILE A 82 -5.252 5.414 6.026 1.00 0.00 C ATOM 854 CG1 ILE A 82 -3.774 5.725 5.711 1.00 0.00 C ATOM 855 CG2 ILE A 82 -5.355 5.147 7.542 1.00 0.00 C ATOM 856 CD1 ILE A 82 -3.486 7.212 5.906 1.00 0.00 C ATOM 0 H ILE A 82 -5.530 5.540 3.555 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.151 3.413 5.261 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.868 6.271 5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.126 5.135 6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.546 5.436 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.932 5.990 8.089 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.402 5.022 7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.804 4.240 7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.439 7.413 5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.120 7.796 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.693 7.490 6.939 1.00 0.00 H new ATOM 868 N GLU A 83 -8.198 4.723 5.608 1.00 0.00 N ATOM 869 CA GLU A 83 -9.538 4.433 6.126 1.00 0.00 C ATOM 870 C GLU A 83 -10.241 3.261 5.397 1.00 0.00 C ATOM 871 O GLU A 83 -11.077 2.580 5.998 1.00 0.00 O ATOM 872 CB GLU A 83 -10.377 5.717 6.128 1.00 0.00 C ATOM 873 CG GLU A 83 -9.838 6.775 7.105 1.00 0.00 C ATOM 874 CD GLU A 83 -9.945 6.330 8.584 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.040 6.454 9.184 1.00 0.00 O ATOM 876 OE2 GLU A 83 -8.934 5.863 9.158 1.00 0.00 O ATOM 0 H GLU A 83 -8.102 5.643 5.179 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.430 4.085 7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.398 6.135 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.406 5.474 6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.795 6.986 6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.390 7.705 6.968 1.00 0.00 H new ATOM 883 N GLU A 84 -9.850 2.945 4.164 1.00 0.00 N ATOM 884 CA GLU A 84 -10.402 1.856 3.339 1.00 0.00 C ATOM 885 C GLU A 84 -9.781 0.485 3.652 1.00 0.00 C ATOM 886 O GLU A 84 -10.490 -0.523 3.607 1.00 0.00 O ATOM 887 CB GLU A 84 -10.137 2.126 1.844 1.00 0.00 C ATOM 888 CG GLU A 84 -11.009 3.203 1.180 1.00 0.00 C ATOM 889 CD GLU A 84 -12.360 2.650 0.683 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.210 2.261 1.517 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.595 2.618 -0.541 1.00 0.00 O ATOM 0 H GLU A 84 -9.109 3.458 3.686 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.467 1.831 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.092 2.413 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.273 1.192 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.190 4.008 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.467 3.637 0.340 1.00 0.00 H new ATOM 898 N VAL A 85 -8.475 0.422 3.959 1.00 0.00 N ATOM 899 CA VAL A 85 -7.732 -0.857 4.004 1.00 0.00 C ATOM 900 C VAL A 85 -6.526 -0.918 4.963 1.00 0.00 C ATOM 901 O VAL A 85 -5.990 -1.998 5.192 1.00 0.00 O ATOM 902 CB VAL A 85 -7.397 -1.273 2.546 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.513 -0.261 1.824 1.00 0.00 C ATOM 904 CG2 VAL A 85 -6.801 -2.674 2.389 1.00 0.00 C ATOM 0 H VAL A 85 -7.908 1.240 4.181 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.389 -1.595 4.464 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.379 -1.294 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.315 -0.609 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.021 0.703 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.571 -0.152 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.603 -2.869 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.870 -2.738 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.506 -3.414 2.768 1.00 0.00 H new ATOM 914 N HIS A 86 -6.129 0.160 5.645 1.00 0.00 N ATOM 915 CA HIS A 86 -5.128 0.063 6.734 1.00 0.00 C ATOM 916 C HIS A 86 -5.621 -0.771 7.925 1.00 0.00 C ATOM 917 O HIS A 86 -6.600 -0.411 8.587 1.00 0.00 O ATOM 918 CB HIS A 86 -4.718 1.443 7.260 1.00 0.00 C ATOM 919 CG HIS A 86 -3.547 1.404 8.209 1.00 0.00 C ATOM 920 ND1 HIS A 86 -2.259 1.764 7.903 1.00 0.00 N ATOM 921 CD2 HIS A 86 -3.545 1.009 9.528 1.00 0.00 C ATOM 922 CE1 HIS A 86 -1.488 1.572 8.988 1.00 0.00 C ATOM 923 NE2 HIS A 86 -2.231 1.109 10.007 1.00 0.00 N ATOM 0 H HIS A 86 -6.475 1.104 5.472 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.270 -0.434 6.282 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.469 2.085 6.415 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.570 1.898 7.766 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.939 2.119 7.002 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.404 0.680 10.094 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.426 1.762 9.034 1.00 0.00 H new ATOM 931 N GLY A 87 -4.925 -1.869 8.235 1.00 0.00 N ATOM 932 CA GLY A 87 -5.124 -2.659 9.464 1.00 0.00 C ATOM 933 C GLY A 87 -6.179 -3.751 9.286 1.00 0.00 C ATOM 934 O GLY A 87 -6.415 -4.561 10.187 1.00 0.00 O ATOM 0 H GLY A 87 -4.193 -2.244 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.178 -3.115 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.424 -1.996 10.275 1.00 0.00 H new ATOM 938 N LYS A 88 -6.794 -3.775 8.102 1.00 0.00 N ATOM 939 CA LYS A 88 -7.664 -4.820 7.592 1.00 0.00 C ATOM 940 C LYS A 88 -6.791 -6.018 7.236 1.00 0.00 C ATOM 941 O LYS A 88 -5.686 -5.835 6.732 1.00 0.00 O ATOM 942 CB LYS A 88 -8.320 -4.276 6.319 1.00 0.00 C ATOM 943 CG LYS A 88 -9.513 -3.322 6.528 1.00 0.00 C ATOM 944 CD LYS A 88 -9.129 -2.009 7.230 1.00 0.00 C ATOM 945 CE LYS A 88 -10.130 -0.885 6.951 1.00 0.00 C ATOM 946 NZ LYS A 88 -9.608 0.443 7.378 1.00 0.00 N ATOM 0 H LYS A 88 -6.686 -3.011 7.435 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.421 -5.114 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.560 -3.754 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.657 -5.121 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.958 -3.091 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.276 -3.830 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.068 -2.179 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.138 -1.700 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.359 -0.859 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.064 -1.093 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.142 1.196 6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.715 0.543 8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.602 0.518 7.126 1.00 0.00 H new ATOM 960 N SER A 89 -7.276 -7.226 7.478 1.00 0.00 N ATOM 961 CA SER A 89 -6.509 -8.471 7.330 1.00 0.00 C ATOM 962 C SER A 89 -6.655 -9.071 5.926 1.00 0.00 C ATOM 963 O SER A 89 -7.660 -9.727 5.633 1.00 0.00 O ATOM 964 CB SER A 89 -6.904 -9.469 8.430 1.00 0.00 C ATOM 965 OG SER A 89 -8.309 -9.674 8.500 1.00 0.00 O ATOM 0 H SER A 89 -8.235 -7.380 7.790 1.00 0.00 H new ATOM 0 HA SER A 89 -5.451 -8.237 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.410 -10.423 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.545 -9.105 9.393 1.00 0.00 H new ATOM 0 HG SER A 89 -8.671 -9.773 7.595 1.00 0.00 H new ATOM 971 N PHE A 90 -5.667 -8.866 5.041 1.00 0.00 N ATOM 972 CA PHE A 90 -5.657 -9.519 3.727 1.00 0.00 C ATOM 973 C PHE A 90 -4.835 -10.823 3.758 1.00 0.00 C ATOM 974 O PHE A 90 -3.794 -10.894 4.410 1.00 0.00 O ATOM 975 CB PHE A 90 -5.170 -8.504 2.689 1.00 0.00 C ATOM 976 CG PHE A 90 -5.510 -8.887 1.267 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.878 -9.975 0.639 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.558 -8.214 0.608 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.332 -10.430 -0.607 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.992 -8.648 -0.649 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.396 -9.773 -1.241 1.00 0.00 C ATOM 0 H PHE A 90 -4.868 -8.255 5.213 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.662 -9.831 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.609 -7.531 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.089 -8.394 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.041 -10.461 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.027 -7.361 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.864 -11.283 -1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.782 -8.120 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.760 -10.135 -2.191 1.00 0.00 H new ATOM 991 N ALA A 91 -5.300 -11.855 3.041 1.00 0.00 N ATOM 992 CA ALA A 91 -4.759 -13.224 2.960 1.00 0.00 C ATOM 993 C ALA A 91 -4.632 -13.978 4.301 1.00 0.00 C ATOM 994 O ALA A 91 -5.292 -15.001 4.502 1.00 0.00 O ATOM 995 CB ALA A 91 -3.439 -13.198 2.168 1.00 0.00 C ATOM 0 H ALA A 91 -6.129 -11.749 2.456 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.503 -13.818 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.033 -14.208 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.625 -12.817 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.723 -12.551 2.675 1.00 0.00 H new ATOM 1001 N ASN A 92 -3.812 -13.474 5.232 1.00 0.00 N ATOM 1002 CA ASN A 92 -3.585 -14.006 6.573 1.00 0.00 C ATOM 1003 C ASN A 92 -3.132 -12.940 7.607 1.00 0.00 C ATOM 1004 O ASN A 92 -2.955 -13.284 8.780 1.00 0.00 O ATOM 1005 CB ASN A 92 -2.566 -15.165 6.480 1.00 0.00 C ATOM 1006 CG ASN A 92 -1.198 -14.728 5.974 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -0.895 -14.785 4.789 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -0.328 -14.263 6.843 1.00 0.00 N ATOM 0 H ASN A 92 -3.259 -12.635 5.055 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.542 -14.368 6.949 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.453 -15.619 7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.962 -15.935 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.591 -13.953 6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.572 -14.212 7.832 1.00 0.00 H new ATOM 1015 N GLN A 93 -2.901 -11.678 7.206 1.00 0.00 N ATOM 1016 CA GLN A 93 -2.319 -10.628 8.065 1.00 0.00 C ATOM 1017 C GLN A 93 -2.632 -9.201 7.554 1.00 0.00 C ATOM 1018 O GLN A 93 -3.053 -9.024 6.407 1.00 0.00 O ATOM 1019 CB GLN A 93 -0.806 -10.901 8.255 1.00 0.00 C ATOM 1020 CG GLN A 93 0.042 -10.844 6.973 1.00 0.00 C ATOM 1021 CD GLN A 93 1.397 -11.540 7.124 1.00 0.00 C ATOM 1022 OE1 GLN A 93 2.068 -11.469 8.143 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.848 -12.270 6.119 1.00 0.00 N ATOM 0 H GLN A 93 -3.116 -11.353 6.263 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.792 -10.671 9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.410 -10.175 8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.686 -11.886 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.511 -11.309 6.157 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.203 -9.802 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.305 -12.344 5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.739 -12.759 6.204 1.00 0.00 H new ATOM 1032 N PRO A 94 -2.518 -8.161 8.402 1.00 0.00 N ATOM 1033 CA PRO A 94 -2.952 -6.824 8.023 1.00 0.00 C ATOM 1034 C PRO A 94 -1.981 -6.020 7.157 1.00 0.00 C ATOM 1035 O PRO A 94 -0.766 -6.231 7.134 1.00 0.00 O ATOM 1036 CB PRO A 94 -3.252 -6.090 9.335 1.00 0.00 C ATOM 1037 CG PRO A 94 -2.321 -6.781 10.321 1.00 0.00 C ATOM 1038 CD PRO A 94 -2.331 -8.226 9.847 1.00 0.00 C ATOM 0 HA PRO A 94 -3.822 -6.926 7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.043 -5.023 9.260 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.298 -6.190 9.626 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.318 -6.355 10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.680 -6.690 11.346 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.397 -8.728 10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.134 -8.789 10.322 1.00 0.00 H new ATOM 1046 N LEU A 95 -2.577 -5.045 6.480 1.00 0.00 N ATOM 1047 CA LEU A 95 -1.930 -4.025 5.661 1.00 0.00 C ATOM 1048 C LEU A 95 -1.382 -2.844 6.487 1.00 0.00 C ATOM 1049 O LEU A 95 -1.922 -2.492 7.533 1.00 0.00 O ATOM 1050 CB LEU A 95 -2.999 -3.511 4.688 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.448 -4.426 3.529 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.355 -5.352 3.029 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.683 -5.240 3.851 1.00 0.00 C ATOM 0 H LEU A 95 -3.591 -4.939 6.489 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.071 -4.465 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.884 -3.259 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.630 -2.582 4.252 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.694 -3.727 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.742 -5.965 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.513 -4.760 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.024 -5.997 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.944 -5.861 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.484 -5.877 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.512 -4.569 4.079 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.378 -2.162 5.930 1.00 0.00 N ATOM 1066 CA GLU A 96 0.299 -0.970 6.473 1.00 0.00 C ATOM 1067 C GLU A 96 0.241 0.170 5.431 1.00 0.00 C ATOM 1068 O GLU A 96 1.213 0.814 5.033 1.00 0.00 O ATOM 1069 CB GLU A 96 1.702 -1.391 6.954 1.00 0.00 C ATOM 1070 CG GLU A 96 2.461 -0.345 7.778 1.00 0.00 C ATOM 1071 CD GLU A 96 3.793 -0.903 8.332 1.00 0.00 C ATOM 1072 OE1 GLU A 96 3.830 -2.043 8.859 1.00 0.00 O ATOM 1073 OE2 GLU A 96 4.830 -0.205 8.246 1.00 0.00 O ATOM 0 H GLU A 96 0.013 -2.441 5.030 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.198 -0.557 7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.605 -2.297 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.304 -1.647 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.663 0.529 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.835 -0.011 8.606 1.00 0.00 H new ATOM 1080 N VAL A 97 -0.969 0.366 4.912 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.378 1.375 3.915 1.00 0.00 C ATOM 1082 C VAL A 97 -1.233 2.736 4.571 1.00 0.00 C ATOM 1083 O VAL A 97 -2.058 3.053 5.426 1.00 0.00 O ATOM 1084 CB VAL A 97 -2.856 1.129 3.596 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.534 2.200 2.742 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.007 -0.213 2.866 1.00 0.00 C ATOM 0 H VAL A 97 -1.756 -0.218 5.194 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.779 1.322 3.006 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.353 1.144 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.576 1.927 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.487 3.159 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.023 2.278 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.059 -0.388 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.435 -0.189 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.635 -1.017 3.501 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.187 3.521 4.288 1.00 0.00 N ATOM 1097 CA VAL A 98 0.113 4.622 5.193 1.00 0.00 C ATOM 1098 C VAL A 98 0.935 5.750 4.554 1.00 0.00 C ATOM 1099 O VAL A 98 0.606 6.288 3.496 1.00 0.00 O ATOM 1100 CB VAL A 98 0.694 3.920 6.476 1.00 0.00 C ATOM 1101 CG1 VAL A 98 2.188 3.530 6.554 1.00 0.00 C ATOM 1102 CG2 VAL A 98 0.065 4.571 7.690 1.00 0.00 C ATOM 0 H VAL A 98 0.433 3.421 3.484 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.763 5.208 5.472 1.00 0.00 H new ATOM 0 HB VAL A 98 0.389 2.875 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.391 3.059 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.424 2.832 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.803 4.424 6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.451 4.102 8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.308 5.634 7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.017 4.446 7.650 1.00 0.00 H new ATOM 1112 N TYR A 99 2.029 6.107 5.207 1.00 0.00 N ATOM 1113 CA TYR A 99 3.101 6.972 4.730 1.00 0.00 C ATOM 1114 C TYR A 99 4.379 6.148 4.463 1.00 0.00 C ATOM 1115 O TYR A 99 5.483 6.668 4.511 1.00 0.00 O ATOM 1116 CB TYR A 99 3.289 8.051 5.801 1.00 0.00 C ATOM 1117 CG TYR A 99 2.051 8.858 6.188 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.997 9.058 5.265 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.983 9.469 7.449 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.073 9.915 5.577 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.898 10.304 7.782 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.129 10.541 6.841 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.153 11.380 7.158 1.00 0.00 O ATOM 0 H TYR A 99 2.206 5.776 6.155 1.00 0.00 H new ATOM 0 HA TYR A 99 2.861 7.444 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.678 7.573 6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.053 8.746 5.453 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.015 8.548 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.768 9.298 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.851 10.094 4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.851 10.764 8.758 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.028 11.718 8.069 1.00 0.00 H new ATOM 1133 N SER A 100 4.225 4.846 4.213 1.00 0.00 N ATOM 1134 CA SER A 100 5.242 3.788 4.149 1.00 0.00 C ATOM 1135 C SER A 100 6.641 4.118 4.693 1.00 0.00 C ATOM 1136 O SER A 100 7.541 4.555 3.966 1.00 0.00 O ATOM 1137 CB SER A 100 5.272 3.095 2.790 1.00 0.00 C ATOM 1138 OG SER A 100 6.320 2.145 2.674 1.00 0.00 O ATOM 0 H SER A 100 3.295 4.467 4.032 1.00 0.00 H new ATOM 0 HA SER A 100 4.887 3.069 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.317 2.597 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.382 3.846 2.008 1.00 0.00 H new ATOM 0 HG SER A 100 6.290 1.732 1.786 1.00 0.00 H new ATOM 1144 N LYS A 101 6.806 3.879 6.008 1.00 0.00 N ATOM 1145 CA LYS A 101 8.097 3.860 6.714 1.00 0.00 C ATOM 1146 C LYS A 101 9.015 2.725 6.197 1.00 0.00 C ATOM 1147 O LYS A 101 8.695 2.044 5.222 1.00 0.00 O ATOM 1148 CB LYS A 101 7.821 3.792 8.235 1.00 0.00 C ATOM 1149 CG LYS A 101 7.211 2.458 8.720 1.00 0.00 C ATOM 1150 CD LYS A 101 8.156 1.716 9.679 1.00 0.00 C ATOM 1151 CE LYS A 101 7.625 0.348 10.117 1.00 0.00 C ATOM 1152 NZ LYS A 101 7.484 -0.586 8.984 1.00 0.00 N ATOM 0 H LYS A 101 6.018 3.688 6.626 1.00 0.00 H new ATOM 0 HA LYS A 101 8.652 4.776 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.756 3.964 8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.146 4.604 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.263 2.652 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.993 1.824 7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.123 1.584 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.323 2.333 10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.300 -0.081 10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.658 0.475 10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.524 -1.565 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.572 -0.424 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.257 -0.429 8.306 1.00 0.00 H new ATOM 1166 N LEU A 102 10.158 2.508 6.859 1.00 0.00 N ATOM 1167 CA LEU A 102 11.139 1.464 6.512 1.00 0.00 C ATOM 1168 C LEU A 102 10.517 0.055 6.309 1.00 0.00 C ATOM 1169 O LEU A 102 9.551 -0.277 7.010 1.00 0.00 O ATOM 1170 CB LEU A 102 12.228 1.399 7.599 1.00 0.00 C ATOM 1171 CG LEU A 102 13.039 2.691 7.809 1.00 0.00 C ATOM 1172 CD1 LEU A 102 14.050 2.475 8.939 1.00 0.00 C ATOM 1173 CD2 LEU A 102 13.800 3.116 6.555 1.00 0.00 C ATOM 0 H LEU A 102 10.436 3.063 7.668 1.00 0.00 H new ATOM 0 HA LEU A 102 11.565 1.750 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.756 1.130 8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.919 0.595 7.347 1.00 0.00 H new ATOM 0 HG LEU A 102 12.329 3.480 8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.626 3.388 9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.520 2.223 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.724 1.660 8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.354 4.032 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.495 2.328 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.094 3.292 5.743 1.00 0.00 H new ATOM 1185 N PRO A 103 11.092 -0.806 5.440 1.00 0.00 N ATOM 1186 CA PRO A 103 10.653 -2.193 5.207 1.00 0.00 C ATOM 1187 C PRO A 103 10.555 -3.127 6.436 1.00 0.00 C ATOM 1188 O PRO A 103 9.994 -4.219 6.310 1.00 0.00 O ATOM 1189 CB PRO A 103 11.628 -2.776 4.173 1.00 0.00 C ATOM 1190 CG PRO A 103 12.115 -1.554 3.405 1.00 0.00 C ATOM 1191 CD PRO A 103 12.146 -0.469 4.483 1.00 0.00 C ATOM 0 HA PRO A 103 9.616 -2.143 4.874 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.453 -3.302 4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.134 -3.491 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 103 13.099 -1.717 2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.441 -1.294 2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 103 13.119 -0.436 4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.975 0.516 4.048 1.00 0.00 H new ATOM 1199 N ALA A 104 11.084 -2.733 7.597 1.00 0.00 N ATOM 1200 CA ALA A 104 10.912 -3.421 8.892 1.00 0.00 C ATOM 1201 C ALA A 104 9.725 -2.830 9.682 1.00 0.00 C ATOM 1202 O ALA A 104 8.567 -3.204 9.378 1.00 0.00 O ATOM 1203 CB ALA A 104 12.258 -3.385 9.634 1.00 0.00 C ATOM 0 H ALA A 104 11.665 -1.898 7.671 1.00 0.00 H new ATOM 0 HA ALA A 104 10.644 -4.468 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.157 -3.888 10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.016 -3.892 9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.557 -2.349 9.796 1.00 0.00 H new TER 1209 ALA A 104