USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1096 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 67 LYS NZ :NH3+ -158:sc= 2.26 (180deg=0.897) USER MOD Set 1.2: A 93 SER OG : rot 140:sc= 0.92 USER MOD Set 2.1: A 55 MET CE :methyl -173:sc= -0.781 (180deg=-1.06) USER MOD Set 2.2: A 82 THR OG1 : rot 74:sc= -5.34! USER MOD Set 3.1: A 24 ASN : amide:sc= -1.78! K(o=-6!,f=-3.5) USER MOD Set 3.2: A 29 GLN : amide:sc= -4.23! K(o=-6!,f=-2.8) USER MOD Set 4.1: A 20 ASN : amide:sc= -4.13! K(o=-6.7!,f=-2.2) USER MOD Set 4.2: A 32 GLN : amide:sc= -2.6 K(o=-6.7,f=-2.2) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.142 (180deg=-0.701) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.956 (180deg=0.888) USER MOD Single : A 2 MET CE :methyl 165:sc= -0.0311 (180deg=-0.339) USER MOD Single : A 3 ASN : amide:sc= -1.02 K(o=-1,f=-0.081) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 0.664 (180deg=0.388) USER MOD Single : A 12 GLN : amide:sc= -5.72! C(o=-5.7!,f=-4.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 178:sc= 0.543 USER MOD Single : A 35 ASN : amide:sc= -3.22! K(o=-3.2!,f=-0.8) USER MOD Single : A 38 GLN : amide:sc= -5.36! K(o=-5.4!,f=-1.4) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= -1.9! (180deg=-3.77!) USER MOD Single : A 56 LYS NZ :NH3+ 152:sc= -3.41! (180deg=-4.56!) USER MOD Single : A 60 MET CE :methyl -162:sc= -0.0807 (180deg=-0.705) USER MOD Single : A 69 MET CE :methyl 155:sc= 0 (180deg=-1.12) USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= -3.43! (180deg=-8.89!) USER MOD Single : A 75 ASN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 81 MET CE :methyl -173:sc= 0 (180deg=-0.178) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -108:sc= -0.501 (180deg=-2.64!) USER MOD Single : A 91 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.094) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 164:sc= -0.0403 USER MOD Single : A 101 HIS : no HE2:sc= -0.35 K(o=-0.35,f=-2.5!) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= -0.08 (180deg=-0.404) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -80:sc= -1.47 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 124 ASN : amide:sc= -0.762 X(o=-0.76,f=-0.71) USER MOD Single : A 127 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 129 HIS : no HD1:sc= -0.0824 K(o=-0.082,f=-0.59) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 132 HIS : no HE2:sc= 0.642 K(o=0.64,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.642 11.991 6.925 1.00 4.70 N ATOM 2 CA MET A 1 -13.125 11.748 8.305 1.00 4.14 C ATOM 3 C MET A 1 -11.958 11.704 9.287 1.00 3.03 C ATOM 4 O MET A 1 -11.608 12.724 9.876 1.00 3.33 O ATOM 5 CB MET A 1 -13.923 10.442 8.394 1.00 4.68 C ATOM 6 CG MET A 1 -15.213 10.446 7.590 1.00 5.19 C ATOM 7 SD MET A 1 -16.153 8.917 7.785 1.00 6.18 S ATOM 8 CE MET A 1 -16.575 9.004 9.525 1.00 6.56 C ATOM 0 H1 MET A 1 -13.451 12.202 6.306 1.00 4.70 H new ATOM 0 H2 MET A 1 -11.985 12.797 6.924 1.00 4.70 H new ATOM 0 H3 MET A 1 -12.150 11.144 6.575 1.00 4.70 H new ATOM 0 HA MET A 1 -13.783 12.575 8.570 1.00 4.14 H new ATOM 0 HB2 MET A 1 -13.295 9.621 8.049 1.00 4.68 H new ATOM 0 HB3 MET A 1 -14.160 10.244 9.439 1.00 4.68 H new ATOM 0 HG2 MET A 1 -15.829 11.290 7.901 1.00 5.19 H new ATOM 0 HG3 MET A 1 -14.980 10.594 6.536 1.00 5.19 H new ATOM 0 HE1 MET A 1 -17.436 8.366 9.723 1.00 6.56 H new ATOM 0 HE2 MET A 1 -15.728 8.666 10.122 1.00 6.56 H new ATOM 0 HE3 MET A 1 -16.818 10.033 9.790 1.00 6.56 H new ATOM 20 N MET A 2 -11.336 10.526 9.425 1.00 2.15 N ATOM 21 CA MET A 2 -10.242 10.320 10.380 1.00 1.39 C ATOM 22 C MET A 2 -9.836 8.853 10.442 1.00 1.23 C ATOM 23 O MET A 2 -8.761 8.512 10.933 1.00 1.91 O ATOM 24 CB MET A 2 -10.647 10.753 11.784 1.00 1.06 C ATOM 25 CG MET A 2 -9.590 11.612 12.460 1.00 1.27 C ATOM 26 SD MET A 2 -10.114 12.213 14.078 1.00 2.00 S ATOM 27 CE MET A 2 -10.195 10.677 15.000 1.00 2.94 C ATOM 0 H MET A 2 -11.575 9.696 8.882 1.00 2.15 H new ATOM 0 HA MET A 2 -9.405 10.925 10.031 1.00 1.39 H new ATOM 0 HB2 MET A 2 -11.583 11.309 11.733 1.00 1.06 H new ATOM 0 HB3 MET A 2 -10.835 9.869 12.393 1.00 1.06 H new ATOM 0 HG2 MET A 2 -8.673 11.033 12.571 1.00 1.27 H new ATOM 0 HG3 MET A 2 -9.354 12.462 11.820 1.00 1.27 H new ATOM 0 HE1 MET A 2 -10.242 10.895 16.067 1.00 2.94 H new ATOM 0 HE2 MET A 2 -11.085 10.121 14.704 1.00 2.94 H new ATOM 0 HE3 MET A 2 -9.308 10.080 14.791 1.00 2.94 H new ATOM 37 N ASN A 3 -10.708 7.981 9.958 1.00 0.60 N ATOM 38 CA ASN A 3 -10.505 6.547 10.091 1.00 0.58 C ATOM 39 C ASN A 3 -9.746 6.006 8.884 1.00 0.41 C ATOM 40 O ASN A 3 -9.507 4.808 8.753 1.00 0.47 O ATOM 41 CB ASN A 3 -11.841 5.818 10.251 1.00 0.73 C ATOM 42 CG ASN A 3 -12.755 6.430 11.311 1.00 1.80 C ATOM 43 OD1 ASN A 3 -13.964 6.206 11.286 1.00 2.57 O ATOM 44 ND2 ASN A 3 -12.213 7.252 12.213 1.00 2.06 N ATOM 0 H ASN A 3 -11.564 8.242 9.469 1.00 0.60 H new ATOM 0 HA ASN A 3 -9.912 6.369 10.988 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -12.361 5.818 9.293 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -11.647 4.777 10.509 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -12.805 7.712 12.904 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -11.207 7.420 12.211 1.00 2.06 H new ATOM 51 N GLU A 4 -9.349 6.916 8.028 1.00 0.28 N ATOM 52 CA GLU A 4 -8.596 6.603 6.828 1.00 0.20 C ATOM 53 C GLU A 4 -7.133 6.379 7.183 1.00 0.17 C ATOM 54 O GLU A 4 -6.553 7.193 7.887 1.00 0.20 O ATOM 55 CB GLU A 4 -8.727 7.779 5.857 1.00 0.24 C ATOM 56 CG GLU A 4 -8.855 9.135 6.558 1.00 0.39 C ATOM 57 CD GLU A 4 -10.300 9.589 6.656 1.00 0.99 C ATOM 58 OE1 GLU A 4 -11.103 8.914 7.343 1.00 1.26 O ATOM 59 OE2 GLU A 4 -10.649 10.614 6.052 1.00 1.70 O ATOM 0 H GLU A 4 -9.541 7.911 8.143 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.983 5.695 6.366 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -7.856 7.798 5.201 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.600 7.622 5.223 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -8.427 9.068 7.558 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -8.277 9.881 6.013 1.00 0.39 H new ATOM 66 N LYS A 5 -6.543 5.266 6.729 1.00 0.17 N ATOM 67 CA LYS A 5 -5.152 4.941 7.086 1.00 0.18 C ATOM 68 C LYS A 5 -4.392 4.198 5.967 1.00 0.17 C ATOM 69 O LYS A 5 -4.902 3.235 5.402 1.00 0.18 O ATOM 70 CB LYS A 5 -5.133 4.092 8.361 1.00 0.26 C ATOM 71 CG LYS A 5 -5.697 4.790 9.590 1.00 0.79 C ATOM 72 CD LYS A 5 -5.700 3.888 10.812 1.00 0.87 C ATOM 73 CE LYS A 5 -6.715 2.761 10.684 1.00 1.27 C ATOM 74 NZ LYS A 5 -8.102 3.272 10.527 1.00 1.93 N ATOM 0 H LYS A 5 -6.997 4.583 6.123 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.640 5.890 7.244 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -5.702 3.179 8.184 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -4.106 3.792 8.568 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -5.108 5.683 9.801 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -6.715 5.121 9.383 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -4.705 3.466 10.954 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -5.925 4.480 11.699 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -6.459 2.139 9.826 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -6.662 2.124 11.567 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -8.776 2.489 10.647 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -8.287 4.001 11.245 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -8.215 3.684 9.579 1.00 1.93 H new ATOM 88 N ILE A 6 -3.151 4.640 5.682 1.00 0.16 N ATOM 89 CA ILE A 6 -2.270 3.995 4.684 1.00 0.15 C ATOM 90 C ILE A 6 -0.796 4.076 5.128 1.00 0.15 C ATOM 91 O ILE A 6 -0.391 5.025 5.780 1.00 0.20 O ATOM 92 CB ILE A 6 -2.379 4.659 3.282 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.778 4.504 2.695 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.352 4.071 2.318 1.00 0.18 C ATOM 95 CD1 ILE A 6 -3.921 5.145 1.333 1.00 0.19 C ATOM 0 H ILE A 6 -2.731 5.452 6.135 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.599 2.958 4.615 1.00 0.15 H new ATOM 0 HB ILE A 6 -2.176 5.722 3.416 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -4.019 3.444 2.619 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.504 4.947 3.377 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.449 4.552 1.345 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.348 4.240 2.708 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.524 3.000 2.212 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -4.938 5.001 0.968 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.710 6.212 1.409 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.218 4.685 0.639 1.00 0.19 H new ATOM 107 N LEU A 7 0.005 3.085 4.780 1.00 0.14 N ATOM 108 CA LEU A 7 1.441 3.145 5.021 1.00 0.16 C ATOM 109 C LEU A 7 2.161 3.298 3.683 1.00 0.25 C ATOM 110 O LEU A 7 1.673 2.808 2.686 1.00 0.59 O ATOM 111 CB LEU A 7 1.902 1.871 5.743 1.00 0.23 C ATOM 112 CG LEU A 7 3.018 2.056 6.778 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.314 2.499 6.127 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.592 3.060 7.830 1.00 0.47 C ATOM 0 H LEU A 7 -0.312 2.227 4.329 1.00 0.14 H new ATOM 0 HA LEU A 7 1.678 4.000 5.654 1.00 0.16 H new ATOM 0 HB2 LEU A 7 1.040 1.427 6.241 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.242 1.155 4.995 1.00 0.23 H new ATOM 0 HG LEU A 7 3.197 1.091 7.252 1.00 0.27 H new ATOM 0 HD11 LEU A 7 5.082 2.620 6.891 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.635 1.747 5.406 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.158 3.449 5.616 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.392 3.184 8.560 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.383 4.018 7.355 1.00 0.47 H new ATOM 0 HD23 LEU A 7 1.694 2.701 8.333 1.00 0.47 H new ATOM 126 N ILE A 8 3.255 4.049 3.645 1.00 0.19 N ATOM 127 CA ILE A 8 4.096 4.136 2.443 1.00 0.19 C ATOM 128 C ILE A 8 5.554 3.835 2.808 1.00 0.19 C ATOM 129 O ILE A 8 6.168 4.568 3.587 1.00 0.24 O ATOM 130 CB ILE A 8 4.024 5.535 1.775 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.589 5.894 1.382 1.00 0.23 C ATOM 132 CG2 ILE A 8 4.921 5.584 0.550 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.755 6.418 2.528 1.00 0.20 C ATOM 0 H ILE A 8 3.586 4.609 4.430 1.00 0.19 H new ATOM 0 HA ILE A 8 3.718 3.402 1.732 1.00 0.19 H new ATOM 0 HB ILE A 8 4.371 6.267 2.505 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.616 6.644 0.592 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.104 5.011 0.967 1.00 0.23 H new ATOM 0 HG21 ILE A 8 4.859 6.572 0.093 1.00 0.28 H new ATOM 0 HG22 ILE A 8 5.951 5.385 0.845 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.597 4.831 -0.168 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.752 6.650 2.171 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.696 5.662 3.311 1.00 0.20 H new ATOM 0 HD13 ILE A 8 2.215 7.321 2.930 1.00 0.20 H new ATOM 145 N VAL A 9 6.092 2.750 2.267 1.00 0.19 N ATOM 146 CA VAL A 9 7.453 2.317 2.581 1.00 0.19 C ATOM 147 C VAL A 9 8.358 2.442 1.366 1.00 0.19 C ATOM 148 O VAL A 9 8.258 1.637 0.435 1.00 0.22 O ATOM 149 CB VAL A 9 7.483 0.845 3.040 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.855 0.474 3.583 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.399 0.576 4.065 1.00 0.21 C ATOM 0 H VAL A 9 5.605 2.148 1.603 1.00 0.19 H new ATOM 0 HA VAL A 9 7.807 2.963 3.384 1.00 0.19 H new ATOM 0 HB VAL A 9 7.286 0.216 2.172 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.851 -0.569 3.900 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.604 0.613 2.804 1.00 0.23 H new ATOM 0 HG13 VAL A 9 9.094 1.111 4.434 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.441 -0.469 4.373 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.552 1.217 4.933 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.423 0.786 3.627 1.00 0.21 H new ATOM 161 N ASP A 10 9.257 3.422 1.397 1.00 0.21 N ATOM 162 CA ASP A 10 10.183 3.654 0.291 1.00 0.30 C ATOM 163 C ASP A 10 11.290 4.573 0.767 1.00 0.42 C ATOM 164 O ASP A 10 11.157 5.192 1.808 1.00 0.83 O ATOM 165 CB ASP A 10 9.476 4.264 -0.930 1.00 0.45 C ATOM 166 CG ASP A 10 8.967 5.672 -0.683 1.00 1.13 C ATOM 167 OD1 ASP A 10 9.797 6.593 -0.546 1.00 1.63 O ATOM 168 OD2 ASP A 10 7.742 5.860 -0.626 1.00 1.84 O ATOM 0 H ASP A 10 9.364 4.070 2.178 1.00 0.21 H new ATOM 0 HA ASP A 10 10.595 2.695 -0.023 1.00 0.30 H new ATOM 0 HB2 ASP A 10 10.167 4.277 -1.773 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.639 3.626 -1.213 1.00 0.45 H new ATOM 173 N ASP A 11 12.420 4.588 0.083 1.00 0.29 N ATOM 174 CA ASP A 11 13.461 5.551 0.391 1.00 0.36 C ATOM 175 C ASP A 11 13.479 6.699 -0.618 1.00 0.38 C ATOM 176 O ASP A 11 14.504 6.988 -1.241 1.00 0.73 O ATOM 177 CB ASP A 11 14.820 4.862 0.437 1.00 0.48 C ATOM 178 CG ASP A 11 15.907 5.770 0.976 1.00 0.63 C ATOM 179 OD1 ASP A 11 15.665 6.452 1.994 1.00 0.77 O ATOM 180 OD2 ASP A 11 16.999 5.825 0.377 1.00 0.74 O ATOM 0 H ASP A 11 12.639 3.950 -0.683 1.00 0.29 H new ATOM 0 HA ASP A 11 13.245 5.975 1.371 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.752 3.971 1.061 1.00 0.48 H new ATOM 0 HB3 ASP A 11 15.091 4.530 -0.565 1.00 0.48 H new ATOM 185 N GLN A 12 12.338 7.339 -0.802 1.00 0.56 N ATOM 186 CA GLN A 12 12.287 8.575 -1.555 1.00 0.60 C ATOM 187 C GLN A 12 12.252 9.734 -0.572 1.00 0.54 C ATOM 188 O GLN A 12 11.396 9.781 0.315 1.00 0.66 O ATOM 189 CB GLN A 12 11.075 8.610 -2.486 1.00 0.83 C ATOM 190 CG GLN A 12 10.968 7.408 -3.424 1.00 1.01 C ATOM 191 CD GLN A 12 12.003 7.383 -4.544 1.00 1.87 C ATOM 192 OE1 GLN A 12 11.730 6.878 -5.636 1.00 2.56 O ATOM 193 NE2 GLN A 12 13.197 7.899 -4.294 1.00 2.51 N ATOM 0 H GLN A 12 11.438 7.023 -0.441 1.00 0.56 H new ATOM 0 HA GLN A 12 13.172 8.652 -2.187 1.00 0.60 H new ATOM 0 HB2 GLN A 12 10.169 8.667 -1.882 1.00 0.83 H new ATOM 0 HB3 GLN A 12 11.117 9.520 -3.084 1.00 0.83 H new ATOM 0 HG2 GLN A 12 11.066 6.495 -2.836 1.00 1.01 H new ATOM 0 HG3 GLN A 12 9.972 7.397 -3.867 1.00 1.01 H new ATOM 0 HE21 GLN A 12 13.394 8.310 -3.382 1.00 2.51 H new ATOM 0 HE22 GLN A 12 13.919 7.885 -5.014 1.00 2.51 H new ATOM 202 N TYR A 13 13.184 10.659 -0.750 1.00 0.55 N ATOM 203 CA TYR A 13 13.498 11.680 0.245 1.00 0.60 C ATOM 204 C TYR A 13 12.265 12.369 0.835 1.00 0.51 C ATOM 205 O TYR A 13 12.169 12.540 2.052 1.00 0.61 O ATOM 206 CB TYR A 13 14.427 12.723 -0.372 1.00 0.75 C ATOM 207 CG TYR A 13 15.093 13.612 0.654 1.00 1.43 C ATOM 208 CD1 TYR A 13 16.256 13.206 1.296 1.00 1.81 C ATOM 209 CD2 TYR A 13 14.557 14.850 0.986 1.00 2.25 C ATOM 210 CE1 TYR A 13 16.864 14.005 2.244 1.00 2.61 C ATOM 211 CE2 TYR A 13 15.160 15.655 1.932 1.00 3.15 C ATOM 212 CZ TYR A 13 16.314 15.229 2.556 1.00 3.23 C ATOM 213 OH TYR A 13 16.913 16.028 3.504 1.00 4.16 O ATOM 0 H TYR A 13 13.750 10.724 -1.596 1.00 0.55 H new ATOM 0 HA TYR A 13 13.986 11.167 1.074 1.00 0.60 H new ATOM 0 HB2 TYR A 13 15.195 12.216 -0.956 1.00 0.75 H new ATOM 0 HB3 TYR A 13 13.857 13.343 -1.065 1.00 0.75 H new ATOM 0 HD1 TYR A 13 16.692 12.249 1.050 1.00 1.81 H new ATOM 0 HD2 TYR A 13 13.655 15.188 0.497 1.00 2.25 H new ATOM 0 HE1 TYR A 13 17.765 13.672 2.738 1.00 2.61 H new ATOM 0 HE2 TYR A 13 14.730 16.614 2.182 1.00 3.15 H new ATOM 0 HH TYR A 13 16.400 16.857 3.605 1.00 4.16 H new ATOM 223 N GLY A 14 11.327 12.770 -0.009 1.00 0.43 N ATOM 224 CA GLY A 14 10.196 13.524 0.491 1.00 0.39 C ATOM 225 C GLY A 14 8.864 13.097 -0.086 1.00 0.37 C ATOM 226 O GLY A 14 7.873 13.810 0.065 1.00 0.45 O ATOM 0 H GLY A 14 11.326 12.592 -1.013 1.00 0.43 H new ATOM 0 HA2 GLY A 14 10.158 13.425 1.576 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.352 14.580 0.273 1.00 0.39 H new ATOM 230 N ILE A 15 8.813 11.936 -0.722 1.00 0.37 N ATOM 231 CA ILE A 15 7.565 11.458 -1.294 1.00 0.38 C ATOM 232 C ILE A 15 6.714 10.827 -0.208 1.00 0.30 C ATOM 233 O ILE A 15 5.501 11.026 -0.153 1.00 0.31 O ATOM 234 CB ILE A 15 7.813 10.450 -2.437 1.00 0.50 C ATOM 235 CG1 ILE A 15 8.640 11.118 -3.538 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.498 9.921 -2.995 1.00 0.56 C ATOM 237 CD1 ILE A 15 8.904 10.232 -4.739 1.00 0.95 C ATOM 0 H ILE A 15 9.611 11.315 -0.854 1.00 0.37 H new ATOM 0 HA ILE A 15 7.037 12.311 -1.720 1.00 0.38 H new ATOM 0 HB ILE A 15 8.367 9.599 -2.041 1.00 0.50 H new ATOM 0 HG12 ILE A 15 8.122 12.018 -3.871 1.00 0.63 H new ATOM 0 HG13 ILE A 15 9.594 11.436 -3.118 1.00 0.63 H new ATOM 0 HG21 ILE A 15 6.702 9.213 -3.798 1.00 0.56 H new ATOM 0 HG22 ILE A 15 5.942 9.420 -2.203 1.00 0.56 H new ATOM 0 HG23 ILE A 15 5.908 10.751 -3.384 1.00 0.56 H new ATOM 0 HD11 ILE A 15 9.496 10.780 -5.472 1.00 0.95 H new ATOM 0 HD12 ILE A 15 9.451 9.344 -4.423 1.00 0.95 H new ATOM 0 HD13 ILE A 15 7.956 9.934 -5.187 1.00 0.95 H new ATOM 249 N ARG A 16 7.379 10.111 0.686 1.00 0.30 N ATOM 250 CA ARG A 16 6.718 9.471 1.820 1.00 0.35 C ATOM 251 C ARG A 16 5.917 10.474 2.643 1.00 0.33 C ATOM 252 O ARG A 16 4.811 10.186 3.095 1.00 0.43 O ATOM 253 CB ARG A 16 7.745 8.814 2.723 1.00 0.49 C ATOM 254 CG ARG A 16 8.433 7.635 2.089 1.00 0.58 C ATOM 255 CD ARG A 16 9.561 7.136 2.972 1.00 0.82 C ATOM 256 NE ARG A 16 10.451 8.243 3.364 1.00 1.64 N ATOM 257 CZ ARG A 16 11.785 8.199 3.357 1.00 2.17 C ATOM 258 NH1 ARG A 16 12.422 7.089 3.028 1.00 2.49 N ATOM 259 NH2 ARG A 16 12.481 9.281 3.687 1.00 2.91 N ATOM 0 H ARG A 16 8.386 9.956 0.649 1.00 0.30 H new ATOM 0 HA ARG A 16 6.036 8.723 1.416 1.00 0.35 H new ATOM 0 HB2 ARG A 16 8.494 9.553 3.006 1.00 0.49 H new ATOM 0 HB3 ARG A 16 7.255 8.489 3.641 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.713 6.834 1.922 1.00 0.58 H new ATOM 0 HG3 ARG A 16 8.826 7.919 1.113 1.00 0.58 H new ATOM 0 HD2 ARG A 16 9.149 6.663 3.863 1.00 0.82 H new ATOM 0 HD3 ARG A 16 10.133 6.374 2.442 1.00 0.82 H new ATOM 0 HE ARG A 16 10.012 9.113 3.665 1.00 1.64 H new ATOM 0 HH11 ARG A 16 11.894 6.254 2.776 1.00 2.49 H new ATOM 0 HH12 ARG A 16 13.442 7.068 3.026 1.00 2.49 H new ATOM 0 HH21 ARG A 16 11.996 10.141 3.944 1.00 2.91 H new ATOM 0 HH22 ARG A 16 13.501 9.252 3.683 1.00 2.91 H new ATOM 273 N ILE A 17 6.486 11.661 2.821 1.00 0.27 N ATOM 274 CA ILE A 17 5.892 12.679 3.674 1.00 0.29 C ATOM 275 C ILE A 17 4.930 13.554 2.880 1.00 0.32 C ATOM 276 O ILE A 17 3.931 14.052 3.407 1.00 0.34 O ATOM 277 CB ILE A 17 6.986 13.544 4.345 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.374 14.544 5.331 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.829 14.270 3.304 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.681 13.892 6.506 1.00 0.68 C ATOM 0 H ILE A 17 7.363 11.941 2.382 1.00 0.27 H new ATOM 0 HA ILE A 17 5.329 12.174 4.459 1.00 0.29 H new ATOM 0 HB ILE A 17 7.638 12.872 4.903 1.00 0.32 H new ATOM 0 HG12 ILE A 17 7.160 15.201 5.703 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.658 15.172 4.801 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.589 14.870 3.805 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.312 13.541 2.654 1.00 0.39 H new ATOM 0 HG23 ILE A 17 7.189 14.920 2.707 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.273 14.662 7.161 1.00 0.68 H new ATOM 0 HD12 ILE A 17 4.872 13.257 6.145 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.398 13.287 7.061 1.00 0.68 H new ATOM 292 N LEU A 18 5.210 13.722 1.599 1.00 0.34 N ATOM 293 CA LEU A 18 4.307 14.485 0.754 1.00 0.43 C ATOM 294 C LEU A 18 2.989 13.723 0.619 1.00 0.33 C ATOM 295 O LEU A 18 1.933 14.330 0.503 1.00 0.32 O ATOM 296 CB LEU A 18 4.948 14.830 -0.611 1.00 0.63 C ATOM 297 CG LEU A 18 4.797 13.814 -1.748 1.00 0.76 C ATOM 298 CD1 LEU A 18 3.438 13.949 -2.419 1.00 1.49 C ATOM 299 CD2 LEU A 18 5.905 14.005 -2.771 1.00 1.34 C ATOM 0 H LEU A 18 6.035 13.350 1.129 1.00 0.34 H new ATOM 0 HA LEU A 18 4.099 15.447 1.222 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.526 15.777 -0.949 1.00 0.63 H new ATOM 0 HB3 LEU A 18 6.013 14.995 -0.449 1.00 0.63 H new ATOM 0 HG LEU A 18 4.872 12.813 -1.324 1.00 0.76 H new ATOM 0 HD11 LEU A 18 3.355 13.217 -3.223 1.00 1.49 H new ATOM 0 HD12 LEU A 18 2.651 13.774 -1.686 1.00 1.49 H new ATOM 0 HD13 LEU A 18 3.333 14.953 -2.830 1.00 1.49 H new ATOM 0 HD21 LEU A 18 5.788 13.278 -3.574 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.850 15.013 -3.183 1.00 1.34 H new ATOM 0 HD23 LEU A 18 6.873 13.862 -2.290 1.00 1.34 H new ATOM 311 N LEU A 19 3.063 12.386 0.674 1.00 0.31 N ATOM 312 CA LEU A 19 1.864 11.541 0.766 1.00 0.29 C ATOM 313 C LEU A 19 1.069 11.882 2.020 1.00 0.20 C ATOM 314 O LEU A 19 -0.144 11.700 2.060 1.00 0.17 O ATOM 315 CB LEU A 19 2.243 10.057 0.816 1.00 0.37 C ATOM 316 CG LEU A 19 2.093 9.281 -0.496 1.00 0.55 C ATOM 317 CD1 LEU A 19 0.641 9.265 -0.943 1.00 1.32 C ATOM 318 CD2 LEU A 19 2.977 9.872 -1.579 1.00 1.07 C ATOM 0 H LEU A 19 3.940 11.866 0.656 1.00 0.31 H new ATOM 0 HA LEU A 19 1.259 11.731 -0.121 1.00 0.29 H new ATOM 0 HB2 LEU A 19 3.279 9.978 1.145 1.00 0.37 H new ATOM 0 HB3 LEU A 19 1.629 9.571 1.575 1.00 0.37 H new ATOM 0 HG LEU A 19 2.412 8.254 -0.321 1.00 0.55 H new ATOM 0 HD11 LEU A 19 0.554 8.709 -1.877 1.00 1.32 H new ATOM 0 HD12 LEU A 19 0.030 8.787 -0.178 1.00 1.32 H new ATOM 0 HD13 LEU A 19 0.296 10.288 -1.096 1.00 1.32 H new ATOM 0 HD21 LEU A 19 2.853 9.304 -2.501 1.00 1.07 H new ATOM 0 HD22 LEU A 19 2.695 10.911 -1.752 1.00 1.07 H new ATOM 0 HD23 LEU A 19 4.019 9.827 -1.263 1.00 1.07 H new ATOM 330 N ASN A 20 1.758 12.365 3.051 1.00 0.20 N ATOM 331 CA ASN A 20 1.092 12.757 4.288 1.00 0.18 C ATOM 332 C ASN A 20 0.254 14.003 4.036 1.00 0.19 C ATOM 333 O ASN A 20 -0.953 14.005 4.247 1.00 0.20 O ATOM 334 CB ASN A 20 2.090 13.019 5.427 1.00 0.22 C ATOM 335 CG ASN A 20 2.701 11.758 6.002 1.00 0.21 C ATOM 336 OD1 ASN A 20 2.987 11.688 7.196 1.00 0.28 O ATOM 337 ND2 ASN A 20 2.937 10.762 5.163 1.00 0.18 N ATOM 0 H ASN A 20 2.770 12.493 3.054 1.00 0.20 H new ATOM 0 HA ASN A 20 0.454 11.930 4.601 1.00 0.18 H new ATOM 0 HB2 ASN A 20 2.888 13.663 5.058 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.584 13.563 6.224 1.00 0.22 H new ATOM 0 HD21 ASN A 20 3.369 9.902 5.501 1.00 0.18 H new ATOM 0 HD22 ASN A 20 2.687 10.854 4.179 1.00 0.18 H new ATOM 344 N GLU A 21 0.889 15.055 3.554 1.00 0.25 N ATOM 345 CA GLU A 21 0.163 16.264 3.167 1.00 0.30 C ATOM 346 C GLU A 21 -0.897 15.949 2.107 1.00 0.28 C ATOM 347 O GLU A 21 -1.917 16.623 1.999 1.00 0.34 O ATOM 348 CB GLU A 21 1.143 17.310 2.652 1.00 0.38 C ATOM 349 CG GLU A 21 1.871 18.060 3.757 1.00 0.58 C ATOM 350 CD GLU A 21 2.480 17.160 4.815 1.00 1.35 C ATOM 351 OE1 GLU A 21 3.644 16.744 4.651 1.00 2.02 O ATOM 352 OE2 GLU A 21 1.800 16.873 5.820 1.00 1.93 O ATOM 0 H GLU A 21 1.899 15.103 3.419 1.00 0.25 H new ATOM 0 HA GLU A 21 -0.350 16.660 4.044 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.877 16.823 2.011 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.604 18.027 2.032 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.660 18.666 3.312 1.00 0.58 H new ATOM 0 HG3 GLU A 21 1.174 18.747 4.236 1.00 0.58 H new ATOM 359 N VAL A 22 -0.625 14.922 1.326 1.00 0.28 N ATOM 360 CA VAL A 22 -1.515 14.473 0.269 1.00 0.32 C ATOM 361 C VAL A 22 -2.762 13.740 0.808 1.00 0.31 C ATOM 362 O VAL A 22 -3.862 13.929 0.285 1.00 0.47 O ATOM 363 CB VAL A 22 -0.710 13.585 -0.714 1.00 0.43 C ATOM 364 CG1 VAL A 22 -1.496 12.401 -1.228 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.208 14.417 -1.881 1.00 0.63 C ATOM 0 H VAL A 22 0.228 14.369 1.407 1.00 0.28 H new ATOM 0 HA VAL A 22 -1.899 15.348 -0.255 1.00 0.32 H new ATOM 0 HB VAL A 22 0.132 13.184 -0.150 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -0.875 11.821 -1.911 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -1.798 11.773 -0.390 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -2.383 12.754 -1.755 1.00 0.78 H new ATOM 0 HG21 VAL A 22 0.356 13.782 -2.564 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -1.056 14.854 -2.408 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.437 15.213 -1.509 1.00 0.63 H new ATOM 375 N PHE A 23 -2.607 12.915 1.851 1.00 0.22 N ATOM 376 CA PHE A 23 -3.737 12.119 2.358 1.00 0.20 C ATOM 377 C PHE A 23 -3.869 12.144 3.877 1.00 0.18 C ATOM 378 O PHE A 23 -4.979 12.171 4.385 1.00 0.20 O ATOM 379 CB PHE A 23 -3.626 10.651 1.917 1.00 0.24 C ATOM 380 CG PHE A 23 -3.902 10.388 0.464 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.077 10.819 -0.121 1.00 0.33 C ATOM 382 CD2 PHE A 23 -2.988 9.688 -0.307 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.338 10.562 -1.453 1.00 0.38 C ATOM 384 CE2 PHE A 23 -3.239 9.429 -1.642 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.416 9.868 -2.215 1.00 0.38 C ATOM 0 H PHE A 23 -1.730 12.781 2.353 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.623 12.587 1.929 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.622 10.296 2.148 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.319 10.058 2.513 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -5.799 11.363 0.470 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -2.068 9.340 0.140 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.261 10.903 -1.899 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.517 8.886 -2.234 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.616 9.670 -3.258 1.00 0.38 H new ATOM 395 N ASN A 24 -2.754 12.132 4.584 1.00 0.17 N ATOM 396 CA ASN A 24 -2.715 11.957 6.049 1.00 0.20 C ATOM 397 C ASN A 24 -3.720 12.834 6.790 1.00 0.23 C ATOM 398 O ASN A 24 -4.154 12.508 7.895 1.00 0.28 O ATOM 399 CB ASN A 24 -1.308 12.279 6.524 1.00 0.20 C ATOM 400 CG ASN A 24 -0.958 11.678 7.860 1.00 0.18 C ATOM 401 OD1 ASN A 24 -1.135 12.293 8.909 1.00 0.19 O ATOM 402 ND2 ASN A 24 -0.442 10.465 7.815 1.00 0.19 N ATOM 0 H ASN A 24 -1.831 12.244 4.164 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.989 10.926 6.270 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.595 11.924 5.780 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -1.195 13.361 6.584 1.00 0.20 H new ATOM 0 HD21 ASN A 24 -0.169 9.994 8.678 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.316 9.997 6.917 1.00 0.19 H new ATOM 409 N LYS A 25 -4.096 13.932 6.175 1.00 0.25 N ATOM 410 CA LYS A 25 -5.027 14.864 6.775 1.00 0.32 C ATOM 411 C LYS A 25 -6.470 14.441 6.558 1.00 0.30 C ATOM 412 O LYS A 25 -7.275 14.434 7.489 1.00 0.38 O ATOM 413 CB LYS A 25 -4.805 16.242 6.161 1.00 0.45 C ATOM 414 CG LYS A 25 -3.359 16.475 5.775 1.00 0.51 C ATOM 415 CD LYS A 25 -3.228 17.365 4.551 1.00 1.10 C ATOM 416 CE LYS A 25 -4.042 18.648 4.658 1.00 1.44 C ATOM 417 NZ LYS A 25 -3.533 19.555 5.719 1.00 1.75 N ATOM 0 H LYS A 25 -3.768 14.205 5.249 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.847 14.885 7.850 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -5.436 16.350 5.279 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -5.117 17.008 6.871 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -2.830 16.931 6.612 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -2.878 15.517 5.578 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -2.178 17.619 4.404 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -3.549 16.810 3.669 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -4.024 19.168 3.700 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -5.083 18.399 4.865 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 -4.119 20.413 5.753 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -3.574 19.071 6.639 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -2.548 19.816 5.509 1.00 1.75 H new ATOM 431 N GLU A 26 -6.787 14.077 5.333 1.00 0.29 N ATOM 432 CA GLU A 26 -8.171 13.880 4.944 1.00 0.35 C ATOM 433 C GLU A 26 -8.342 12.656 4.050 1.00 0.33 C ATOM 434 O GLU A 26 -9.379 12.004 4.078 1.00 0.45 O ATOM 435 CB GLU A 26 -8.661 15.125 4.215 1.00 0.43 C ATOM 436 CG GLU A 26 -7.714 15.560 3.110 1.00 0.42 C ATOM 437 CD GLU A 26 -8.193 16.790 2.380 1.00 0.54 C ATOM 438 OE1 GLU A 26 -7.867 17.914 2.822 1.00 0.61 O ATOM 439 OE2 GLU A 26 -8.891 16.643 1.354 1.00 0.75 O ATOM 0 H GLU A 26 -6.108 13.911 4.590 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.760 13.710 5.845 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.646 14.930 3.790 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.778 15.939 4.930 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.731 15.757 3.537 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -7.595 14.744 2.398 1.00 0.42 H new ATOM 446 N GLY A 27 -7.336 12.367 3.233 1.00 0.25 N ATOM 447 CA GLY A 27 -7.389 11.194 2.393 1.00 0.26 C ATOM 448 C GLY A 27 -7.240 9.924 3.200 1.00 0.20 C ATOM 449 O GLY A 27 -8.187 9.150 3.307 1.00 0.22 O ATOM 0 H GLY A 27 -6.487 12.925 3.140 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.336 11.174 1.854 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -6.598 11.245 1.645 1.00 0.26 H new ATOM 453 N TYR A 28 -6.048 9.726 3.775 1.00 0.22 N ATOM 454 CA TYR A 28 -5.743 8.548 4.596 1.00 0.17 C ATOM 455 C TYR A 28 -4.558 8.819 5.509 1.00 0.31 C ATOM 456 O TYR A 28 -3.745 9.661 5.217 1.00 0.84 O ATOM 457 CB TYR A 28 -5.384 7.324 3.754 1.00 0.19 C ATOM 458 CG TYR A 28 -6.486 6.813 2.842 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.417 5.889 3.299 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.592 7.251 1.527 1.00 0.32 C ATOM 461 CE1 TYR A 28 -8.422 5.417 2.475 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.593 6.785 0.697 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.506 5.869 1.175 1.00 0.50 C ATOM 464 OH TYR A 28 -9.506 5.400 0.350 1.00 0.62 O ATOM 0 H TYR A 28 -5.268 10.377 3.684 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.648 8.346 5.168 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.514 7.567 3.144 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -5.088 6.517 4.425 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -7.355 5.533 4.317 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -5.879 7.968 1.148 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -9.137 4.698 2.847 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.660 7.137 -0.322 1.00 0.42 H new ATOM 0 HH TYR A 28 -9.425 5.818 -0.533 1.00 0.62 H new ATOM 474 N GLN A 29 -4.439 8.023 6.554 1.00 0.20 N ATOM 475 CA GLN A 29 -3.365 8.116 7.554 1.00 0.15 C ATOM 476 C GLN A 29 -2.085 7.608 6.947 1.00 0.17 C ATOM 477 O GLN A 29 -1.514 6.630 7.419 1.00 0.34 O ATOM 478 CB GLN A 29 -3.695 7.233 8.747 1.00 0.19 C ATOM 479 CG GLN A 29 -3.023 7.604 10.067 1.00 0.28 C ATOM 480 CD GLN A 29 -1.901 8.613 9.950 1.00 0.74 C ATOM 481 OE1 GLN A 29 -2.117 9.812 10.074 1.00 1.50 O ATOM 482 NE2 GLN A 29 -0.692 8.130 9.706 1.00 0.53 N ATOM 0 H GLN A 29 -5.099 7.270 6.746 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.262 9.154 7.870 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.775 7.248 8.896 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.422 6.207 8.500 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -3.780 8.001 10.744 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -2.630 6.697 10.525 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -0.555 7.124 9.610 1.00 0.53 H new ATOM 0 HE22 GLN A 29 0.102 8.764 9.615 1.00 0.53 H new ATOM 491 N THR A 30 -1.659 8.256 5.901 1.00 0.12 N ATOM 492 CA THR A 30 -0.528 7.815 5.149 1.00 0.13 C ATOM 493 C THR A 30 0.744 8.134 5.900 1.00 0.13 C ATOM 494 O THR A 30 1.048 9.287 6.126 1.00 0.17 O ATOM 495 CB THR A 30 -0.520 8.499 3.785 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.574 9.921 3.961 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.708 8.059 2.949 1.00 0.16 C ATOM 0 H THR A 30 -2.091 9.109 5.547 1.00 0.12 H new ATOM 0 HA THR A 30 -0.589 6.736 5.005 1.00 0.13 H new ATOM 0 HB THR A 30 0.397 8.217 3.268 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.536 10.361 3.086 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.678 8.561 1.982 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.668 6.980 2.799 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.632 8.319 3.465 1.00 0.16 H new ATOM 505 N PHE A 31 1.483 7.131 6.308 1.00 0.13 N ATOM 506 CA PHE A 31 2.686 7.394 7.068 1.00 0.14 C ATOM 507 C PHE A 31 3.906 7.004 6.236 1.00 0.13 C ATOM 508 O PHE A 31 3.766 6.397 5.177 1.00 0.14 O ATOM 509 CB PHE A 31 2.668 6.626 8.394 1.00 0.17 C ATOM 510 CG PHE A 31 3.267 7.397 9.533 1.00 0.24 C ATOM 511 CD1 PHE A 31 2.477 8.227 10.311 1.00 0.37 C ATOM 512 CD2 PHE A 31 4.618 7.297 9.826 1.00 0.29 C ATOM 513 CE1 PHE A 31 3.020 8.943 11.358 1.00 0.45 C ATOM 514 CE2 PHE A 31 5.168 8.012 10.871 1.00 0.36 C ATOM 515 CZ PHE A 31 4.367 8.835 11.639 1.00 0.42 C ATOM 0 H PHE A 31 1.282 6.146 6.133 1.00 0.13 H new ATOM 0 HA PHE A 31 2.736 8.458 7.300 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.639 6.366 8.642 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.213 5.690 8.271 1.00 0.17 H new ATOM 0 HD1 PHE A 31 1.422 8.315 10.095 1.00 0.37 H new ATOM 0 HD2 PHE A 31 5.247 6.653 9.230 1.00 0.29 H new ATOM 0 HE1 PHE A 31 2.392 9.587 11.956 1.00 0.45 H new ATOM 0 HE2 PHE A 31 6.223 7.928 11.088 1.00 0.36 H new ATOM 0 HZ PHE A 31 4.795 9.393 12.459 1.00 0.42 H new ATOM 525 N GLN A 32 5.090 7.338 6.717 1.00 0.14 N ATOM 526 CA GLN A 32 6.313 7.099 5.963 1.00 0.16 C ATOM 527 C GLN A 32 7.128 5.985 6.602 1.00 0.17 C ATOM 528 O GLN A 32 7.168 5.867 7.823 1.00 0.20 O ATOM 529 CB GLN A 32 7.159 8.377 5.886 1.00 0.21 C ATOM 530 CG GLN A 32 7.397 9.049 7.230 1.00 0.76 C ATOM 531 CD GLN A 32 6.471 10.227 7.480 1.00 0.33 C ATOM 532 OE1 GLN A 32 6.809 11.147 8.218 1.00 0.51 O ATOM 533 NE2 GLN A 32 5.314 10.226 6.835 1.00 0.52 N ATOM 0 H GLN A 32 5.233 7.776 7.627 1.00 0.14 H new ATOM 0 HA GLN A 32 6.032 6.798 4.954 1.00 0.16 H new ATOM 0 HB2 GLN A 32 8.123 8.135 5.438 1.00 0.21 H new ATOM 0 HB3 GLN A 32 6.667 9.086 5.220 1.00 0.21 H new ATOM 0 HG2 GLN A 32 7.264 8.315 8.025 1.00 0.76 H new ATOM 0 HG3 GLN A 32 8.431 9.390 7.281 1.00 0.76 H new ATOM 0 HE21 GLN A 32 5.068 9.443 6.230 1.00 0.52 H new ATOM 0 HE22 GLN A 32 4.669 11.009 6.943 1.00 0.52 H new ATOM 542 N ALA A 33 7.750 5.158 5.771 1.00 0.18 N ATOM 543 CA ALA A 33 8.585 4.073 6.260 1.00 0.19 C ATOM 544 C ALA A 33 9.867 3.936 5.448 1.00 0.18 C ATOM 545 O ALA A 33 9.838 3.905 4.217 1.00 0.20 O ATOM 546 CB ALA A 33 7.815 2.763 6.247 1.00 0.20 C ATOM 0 H ALA A 33 7.691 5.220 4.755 1.00 0.18 H new ATOM 0 HA ALA A 33 8.865 4.313 7.286 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.455 1.961 6.616 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.937 2.851 6.887 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.500 2.536 5.228 1.00 0.20 H new ATOM 552 N ALA A 34 10.988 3.865 6.162 1.00 0.18 N ATOM 553 CA ALA A 34 12.282 3.626 5.548 1.00 0.20 C ATOM 554 C ALA A 34 12.592 2.133 5.529 1.00 0.17 C ATOM 555 O ALA A 34 13.486 1.680 4.826 1.00 0.21 O ATOM 556 CB ALA A 34 13.363 4.384 6.298 1.00 0.27 C ATOM 0 H ALA A 34 11.020 3.971 7.176 1.00 0.18 H new ATOM 0 HA ALA A 34 12.255 3.985 4.519 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.329 4.198 5.830 1.00 0.27 H new ATOM 0 HB2 ALA A 34 13.145 5.452 6.269 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.391 4.047 7.334 1.00 0.27 H new ATOM 562 N ASN A 35 11.862 1.371 6.335 1.00 0.16 N ATOM 563 CA ASN A 35 11.972 -0.082 6.316 1.00 0.20 C ATOM 564 C ASN A 35 10.599 -0.674 6.530 1.00 0.21 C ATOM 565 O ASN A 35 9.722 -0.022 7.100 1.00 0.18 O ATOM 566 CB ASN A 35 12.907 -0.614 7.418 1.00 0.25 C ATOM 567 CG ASN A 35 13.748 0.454 8.087 1.00 0.27 C ATOM 568 OD1 ASN A 35 14.841 0.776 7.633 1.00 0.39 O ATOM 569 ND2 ASN A 35 13.249 0.994 9.188 1.00 0.22 N ATOM 0 H ASN A 35 11.188 1.735 7.009 1.00 0.16 H new ATOM 0 HA ASN A 35 12.390 -0.370 5.351 1.00 0.20 H new ATOM 0 HB2 ASN A 35 12.307 -1.117 8.177 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.569 -1.365 6.986 1.00 0.25 H new ATOM 0 HD21 ASN A 35 13.778 1.706 9.692 1.00 0.22 H new ATOM 0 HD22 ASN A 35 12.336 0.698 9.532 1.00 0.22 H new ATOM 576 N GLY A 36 10.411 -1.906 6.089 1.00 0.29 N ATOM 577 CA GLY A 36 9.171 -2.603 6.361 1.00 0.33 C ATOM 578 C GLY A 36 8.955 -2.785 7.848 1.00 0.30 C ATOM 579 O GLY A 36 7.827 -2.867 8.315 1.00 0.30 O ATOM 0 H GLY A 36 11.093 -2.437 5.548 1.00 0.29 H new ATOM 0 HA2 GLY A 36 8.337 -2.044 5.936 1.00 0.33 H new ATOM 0 HA3 GLY A 36 9.184 -3.577 5.872 1.00 0.33 H new ATOM 583 N LEU A 37 10.049 -2.828 8.592 1.00 0.31 N ATOM 584 CA LEU A 37 9.990 -2.937 10.037 1.00 0.31 C ATOM 585 C LEU A 37 9.448 -1.647 10.627 1.00 0.24 C ATOM 586 O LEU A 37 8.697 -1.661 11.595 1.00 0.25 O ATOM 587 CB LEU A 37 11.383 -3.223 10.586 1.00 0.40 C ATOM 588 CG LEU A 37 11.968 -4.587 10.215 1.00 0.76 C ATOM 589 CD1 LEU A 37 13.348 -4.753 10.828 1.00 1.52 C ATOM 590 CD2 LEU A 37 11.046 -5.710 10.665 1.00 1.36 C ATOM 0 H LEU A 37 10.995 -2.789 8.213 1.00 0.31 H new ATOM 0 HA LEU A 37 9.326 -3.756 10.312 1.00 0.31 H new ATOM 0 HB2 LEU A 37 12.061 -2.447 10.231 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.350 -3.144 11.673 1.00 0.40 H new ATOM 0 HG LEU A 37 12.060 -4.638 9.130 1.00 0.76 H new ATOM 0 HD11 LEU A 37 13.752 -5.728 10.556 1.00 1.52 H new ATOM 0 HD12 LEU A 37 14.008 -3.970 10.456 1.00 1.52 H new ATOM 0 HD13 LEU A 37 13.275 -4.681 11.913 1.00 1.52 H new ATOM 0 HD21 LEU A 37 11.482 -6.671 10.391 1.00 1.36 H new ATOM 0 HD22 LEU A 37 10.919 -5.665 11.747 1.00 1.36 H new ATOM 0 HD23 LEU A 37 10.076 -5.600 10.181 1.00 1.36 H new ATOM 602 N GLN A 38 9.824 -0.533 10.012 1.00 0.20 N ATOM 603 CA GLN A 38 9.291 0.760 10.392 1.00 0.16 C ATOM 604 C GLN A 38 7.795 0.774 10.087 1.00 0.16 C ATOM 605 O GLN A 38 6.988 1.322 10.835 1.00 0.17 O ATOM 606 CB GLN A 38 10.029 1.860 9.620 1.00 0.15 C ATOM 607 CG GLN A 38 10.010 3.233 10.287 1.00 0.19 C ATOM 608 CD GLN A 38 8.645 3.891 10.288 1.00 0.23 C ATOM 609 OE1 GLN A 38 8.315 4.664 11.184 1.00 0.50 O ATOM 610 NE2 GLN A 38 7.846 3.592 9.282 1.00 0.17 N ATOM 0 H GLN A 38 10.498 -0.504 9.247 1.00 0.20 H new ATOM 0 HA GLN A 38 9.435 0.943 11.457 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.066 1.554 9.481 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.586 1.947 8.628 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.356 3.132 11.316 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.718 3.885 9.776 1.00 0.19 H new ATOM 0 HE21 GLN A 38 8.158 2.945 8.558 1.00 0.17 H new ATOM 0 HE22 GLN A 38 6.916 4.008 9.228 1.00 0.17 H new ATOM 619 N ALA A 39 7.434 0.140 8.980 1.00 0.18 N ATOM 620 CA ALA A 39 6.039 0.014 8.596 1.00 0.22 C ATOM 621 C ALA A 39 5.295 -0.865 9.592 1.00 0.27 C ATOM 622 O ALA A 39 4.121 -0.645 9.871 1.00 0.32 O ATOM 623 CB ALA A 39 5.932 -0.551 7.190 1.00 0.25 C ATOM 0 H ALA A 39 8.091 -0.295 8.332 1.00 0.18 H new ATOM 0 HA ALA A 39 5.579 1.002 8.604 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.882 -0.641 6.913 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.436 0.116 6.491 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.402 -1.534 7.156 1.00 0.25 H new ATOM 629 N LEU A 40 6.005 -1.846 10.136 1.00 0.29 N ATOM 630 CA LEU A 40 5.468 -2.714 11.173 1.00 0.33 C ATOM 631 C LEU A 40 5.250 -1.907 12.442 1.00 0.29 C ATOM 632 O LEU A 40 4.261 -2.094 13.156 1.00 0.30 O ATOM 633 CB LEU A 40 6.428 -3.878 11.431 1.00 0.39 C ATOM 634 CG LEU A 40 6.064 -4.802 12.596 1.00 0.47 C ATOM 635 CD1 LEU A 40 4.772 -5.550 12.308 1.00 1.47 C ATOM 636 CD2 LEU A 40 7.198 -5.778 12.867 1.00 1.42 C ATOM 0 H LEU A 40 6.966 -2.061 9.871 1.00 0.29 H new ATOM 0 HA LEU A 40 4.513 -3.125 10.847 1.00 0.33 H new ATOM 0 HB2 LEU A 40 6.492 -4.478 10.523 1.00 0.39 H new ATOM 0 HB3 LEU A 40 7.422 -3.470 11.614 1.00 0.39 H new ATOM 0 HG LEU A 40 5.910 -4.191 13.486 1.00 0.47 H new ATOM 0 HD11 LEU A 40 4.533 -6.201 13.149 1.00 1.47 H new ATOM 0 HD12 LEU A 40 3.963 -4.835 12.161 1.00 1.47 H new ATOM 0 HD13 LEU A 40 4.893 -6.152 11.407 1.00 1.47 H new ATOM 0 HD21 LEU A 40 6.927 -6.429 13.698 1.00 1.42 H new ATOM 0 HD22 LEU A 40 7.380 -6.381 11.977 1.00 1.42 H new ATOM 0 HD23 LEU A 40 8.102 -5.224 13.121 1.00 1.42 H new ATOM 648 N ASP A 41 6.178 -0.996 12.699 1.00 0.27 N ATOM 649 CA ASP A 41 6.048 -0.061 13.800 1.00 0.27 C ATOM 650 C ASP A 41 4.733 0.683 13.695 1.00 0.26 C ATOM 651 O ASP A 41 3.935 0.678 14.622 1.00 0.32 O ATOM 652 CB ASP A 41 7.206 0.939 13.808 1.00 0.27 C ATOM 653 CG ASP A 41 8.433 0.417 14.528 1.00 0.55 C ATOM 654 OD1 ASP A 41 8.388 0.295 15.770 1.00 0.86 O ATOM 655 OD2 ASP A 41 9.450 0.132 13.862 1.00 1.31 O ATOM 0 H ASP A 41 7.033 -0.887 12.154 1.00 0.27 H new ATOM 0 HA ASP A 41 6.073 -0.627 14.731 1.00 0.27 H new ATOM 0 HB2 ASP A 41 7.472 1.187 12.780 1.00 0.27 H new ATOM 0 HB3 ASP A 41 6.878 1.863 14.284 1.00 0.27 H new ATOM 660 N ILE A 42 4.482 1.291 12.545 1.00 0.22 N ATOM 661 CA ILE A 42 3.258 2.059 12.379 1.00 0.23 C ATOM 662 C ILE A 42 2.041 1.146 12.292 1.00 0.24 C ATOM 663 O ILE A 42 0.977 1.493 12.787 1.00 0.26 O ATOM 664 CB ILE A 42 3.258 2.967 11.140 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.543 3.805 11.062 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.031 3.871 11.196 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.805 4.643 12.298 1.00 0.22 C ATOM 0 H ILE A 42 5.095 1.269 11.730 1.00 0.22 H new ATOM 0 HA ILE A 42 3.207 2.692 13.265 1.00 0.23 H new ATOM 0 HB ILE A 42 3.222 2.348 10.244 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.390 3.139 10.900 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.484 4.463 10.195 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.018 4.522 10.322 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.129 3.260 11.207 1.00 0.28 H new ATOM 0 HG23 ILE A 42 2.068 4.479 12.100 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.729 5.206 12.167 1.00 0.22 H new ATOM 0 HD12 ILE A 42 3.977 5.335 12.450 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.897 3.991 13.167 1.00 0.22 H new ATOM 679 N VAL A 43 2.184 -0.017 11.674 1.00 0.25 N ATOM 680 CA VAL A 43 1.045 -0.915 11.527 1.00 0.29 C ATOM 681 C VAL A 43 0.598 -1.424 12.894 1.00 0.36 C ATOM 682 O VAL A 43 -0.550 -1.814 13.069 1.00 0.44 O ATOM 683 CB VAL A 43 1.331 -2.107 10.577 1.00 0.36 C ATOM 684 CG1 VAL A 43 2.086 -3.225 11.282 1.00 0.86 C ATOM 685 CG2 VAL A 43 0.035 -2.628 9.972 1.00 0.82 C ATOM 0 H VAL A 43 3.058 -0.358 11.273 1.00 0.25 H new ATOM 0 HA VAL A 43 0.243 -0.336 11.069 1.00 0.29 H new ATOM 0 HB VAL A 43 1.971 -1.742 9.773 1.00 0.36 H new ATOM 0 HG11 VAL A 43 2.266 -4.040 10.581 1.00 0.86 H new ATOM 0 HG12 VAL A 43 3.039 -2.845 11.649 1.00 0.86 H new ATOM 0 HG13 VAL A 43 1.494 -3.591 12.121 1.00 0.86 H new ATOM 0 HG21 VAL A 43 0.254 -3.464 9.308 1.00 0.82 H new ATOM 0 HG22 VAL A 43 -0.630 -2.962 10.769 1.00 0.82 H new ATOM 0 HG23 VAL A 43 -0.448 -1.832 9.406 1.00 0.82 H new ATOM 695 N THR A 44 1.499 -1.396 13.871 1.00 0.36 N ATOM 696 CA THR A 44 1.122 -1.764 15.226 1.00 0.43 C ATOM 697 C THR A 44 0.821 -0.515 16.062 1.00 0.44 C ATOM 698 O THR A 44 0.139 -0.592 17.084 1.00 0.52 O ATOM 699 CB THR A 44 2.201 -2.633 15.919 1.00 0.45 C ATOM 700 OG1 THR A 44 1.662 -3.220 17.108 1.00 0.54 O ATOM 701 CG2 THR A 44 3.433 -1.823 16.279 1.00 0.42 C ATOM 0 H THR A 44 2.476 -1.128 13.752 1.00 0.36 H new ATOM 0 HA THR A 44 0.217 -2.368 15.154 1.00 0.43 H new ATOM 0 HB THR A 44 2.498 -3.410 15.215 1.00 0.45 H new ATOM 0 HG1 THR A 44 2.348 -3.770 17.541 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.165 -2.470 16.763 1.00 0.42 H new ATOM 0 HG22 THR A 44 3.866 -1.398 15.374 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.154 -1.019 16.959 1.00 0.42 H new ATOM 709 N LYS A 45 1.312 0.637 15.607 1.00 0.39 N ATOM 710 CA LYS A 45 1.080 1.901 16.300 1.00 0.41 C ATOM 711 C LYS A 45 -0.219 2.562 15.858 1.00 0.40 C ATOM 712 O LYS A 45 -1.139 2.728 16.651 1.00 0.45 O ATOM 713 CB LYS A 45 2.236 2.861 16.030 1.00 0.40 C ATOM 714 CG LYS A 45 3.474 2.595 16.872 1.00 0.47 C ATOM 715 CD LYS A 45 4.593 3.589 16.573 1.00 0.56 C ATOM 716 CE LYS A 45 4.366 4.945 17.242 1.00 1.19 C ATOM 717 NZ LYS A 45 3.180 5.674 16.709 1.00 2.01 N ATOM 0 H LYS A 45 1.874 0.720 14.760 1.00 0.39 H new ATOM 0 HA LYS A 45 1.009 1.678 17.365 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.507 2.799 14.976 1.00 0.40 H new ATOM 0 HB3 LYS A 45 1.898 3.881 16.213 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.213 2.650 17.929 1.00 0.47 H new ATOM 0 HG3 LYS A 45 3.829 1.582 16.684 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.543 3.175 16.912 1.00 0.56 H new ATOM 0 HD3 LYS A 45 4.672 3.728 15.495 1.00 0.56 H new ATOM 0 HE2 LYS A 45 4.241 4.797 18.315 1.00 1.19 H new ATOM 0 HE3 LYS A 45 5.254 5.562 17.107 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 3.348 6.699 16.766 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 3.023 5.404 15.717 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 2.340 5.429 17.271 1.00 2.01 H new ATOM 731 N GLU A 46 -0.293 2.924 14.585 1.00 0.35 N ATOM 732 CA GLU A 46 -1.450 3.628 14.062 1.00 0.37 C ATOM 733 C GLU A 46 -2.397 2.652 13.378 1.00 0.37 C ATOM 734 O GLU A 46 -3.581 2.938 13.204 1.00 0.41 O ATOM 735 CB GLU A 46 -0.991 4.696 13.070 1.00 0.36 C ATOM 736 CG GLU A 46 0.107 5.604 13.613 1.00 0.39 C ATOM 737 CD GLU A 46 -0.285 6.295 14.902 1.00 1.36 C ATOM 738 OE1 GLU A 46 -1.107 7.235 14.853 1.00 2.00 O ATOM 739 OE2 GLU A 46 0.236 5.909 15.969 1.00 2.01 O ATOM 0 H GLU A 46 0.437 2.740 13.896 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.980 4.105 14.886 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.632 4.208 12.164 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.848 5.307 12.785 1.00 0.36 H new ATOM 0 HG2 GLU A 46 1.008 5.015 13.782 1.00 0.39 H new ATOM 0 HG3 GLU A 46 0.353 6.356 12.864 1.00 0.39 H new ATOM 746 N ARG A 47 -1.852 1.501 12.991 1.00 0.35 N ATOM 747 CA ARG A 47 -2.608 0.451 12.314 1.00 0.35 C ATOM 748 C ARG A 47 -3.248 0.947 11.018 1.00 0.26 C ATOM 749 O ARG A 47 -4.464 0.857 10.872 1.00 0.31 O ATOM 750 CB ARG A 47 -3.705 -0.125 13.219 1.00 0.48 C ATOM 751 CG ARG A 47 -3.213 -1.095 14.270 1.00 0.73 C ATOM 752 CD ARG A 47 -2.615 -0.338 15.424 1.00 1.59 C ATOM 753 NE ARG A 47 -3.641 0.251 16.282 1.00 2.33 N ATOM 754 CZ ARG A 47 -3.451 0.572 17.561 1.00 3.40 C ATOM 755 NH1 ARG A 47 -2.271 0.355 18.135 1.00 3.94 N ATOM 756 NH2 ARG A 47 -4.440 1.111 18.264 1.00 4.15 N ATOM 0 H ARG A 47 -0.870 1.270 13.139 1.00 0.35 H new ATOM 0 HA ARG A 47 -1.887 -0.331 12.074 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -4.217 0.699 13.716 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.443 -0.629 12.596 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -4.038 -1.716 14.619 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -2.470 -1.766 13.839 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -1.991 -1.009 16.014 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -1.965 0.450 15.043 1.00 1.59 H new ATOM 0 HE ARG A 47 -4.560 0.427 15.876 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -1.510 -0.058 17.596 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -2.127 0.601 19.114 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -5.345 1.279 17.825 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -4.295 1.357 19.243 1.00 4.15 H new ATOM 770 N PRO A 48 -2.464 1.481 10.055 1.00 0.19 N ATOM 771 CA PRO A 48 -3.021 1.920 8.772 1.00 0.17 C ATOM 772 C PRO A 48 -3.722 0.779 8.034 1.00 0.22 C ATOM 773 O PRO A 48 -3.315 -0.380 8.138 1.00 0.33 O ATOM 774 CB PRO A 48 -1.809 2.420 7.989 1.00 0.19 C ATOM 775 CG PRO A 48 -0.777 2.708 9.026 1.00 0.22 C ATOM 776 CD PRO A 48 -1.008 1.697 10.114 1.00 0.22 C ATOM 0 HA PRO A 48 -3.785 2.687 8.900 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.459 1.669 7.280 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -2.051 3.313 7.413 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.228 2.619 8.614 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.877 3.724 9.407 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.455 0.775 9.934 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.694 2.072 11.088 1.00 0.22 H new ATOM 784 N ASP A 49 -4.765 1.111 7.280 1.00 0.23 N ATOM 785 CA ASP A 49 -5.604 0.097 6.658 1.00 0.29 C ATOM 786 C ASP A 49 -4.947 -0.408 5.392 1.00 0.25 C ATOM 787 O ASP A 49 -5.091 -1.574 5.019 1.00 0.31 O ATOM 788 CB ASP A 49 -6.997 0.651 6.321 1.00 0.37 C ATOM 789 CG ASP A 49 -7.742 1.200 7.523 1.00 1.20 C ATOM 790 OD1 ASP A 49 -8.292 0.403 8.313 1.00 1.40 O ATOM 791 OD2 ASP A 49 -7.802 2.439 7.672 1.00 2.12 O ATOM 0 H ASP A 49 -5.048 2.072 7.086 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.722 -0.721 7.369 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -6.894 1.441 5.577 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -7.593 -0.140 5.866 1.00 0.37 H new ATOM 796 N LEU A 50 -4.229 0.483 4.720 1.00 0.21 N ATOM 797 CA LEU A 50 -3.561 0.126 3.475 1.00 0.22 C ATOM 798 C LEU A 50 -2.059 0.217 3.669 1.00 0.19 C ATOM 799 O LEU A 50 -1.591 1.008 4.480 1.00 0.20 O ATOM 800 CB LEU A 50 -3.955 1.048 2.306 1.00 0.28 C ATOM 801 CG LEU A 50 -5.453 1.293 2.031 1.00 0.46 C ATOM 802 CD1 LEU A 50 -5.684 1.411 0.536 1.00 1.39 C ATOM 803 CD2 LEU A 50 -6.343 0.206 2.602 1.00 1.21 C ATOM 0 H LEU A 50 -4.095 1.451 5.013 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.871 -0.889 3.224 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -3.487 2.017 2.477 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -3.515 0.637 1.398 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.723 2.222 2.532 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -6.743 1.584 0.344 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -5.103 2.245 0.143 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -5.372 0.489 0.046 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -7.385 0.433 2.377 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -6.077 -0.753 2.158 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -6.208 0.155 3.682 1.00 1.21 H new ATOM 815 N VAL A 51 -1.308 -0.597 2.950 1.00 0.22 N ATOM 816 CA VAL A 51 0.143 -0.523 3.005 1.00 0.23 C ATOM 817 C VAL A 51 0.760 -0.406 1.619 1.00 0.27 C ATOM 818 O VAL A 51 0.427 -1.157 0.714 1.00 0.48 O ATOM 819 CB VAL A 51 0.759 -1.733 3.728 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.268 -1.763 3.542 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.418 -1.700 5.206 1.00 0.40 C ATOM 0 H VAL A 51 -1.675 -1.314 2.324 1.00 0.22 H new ATOM 0 HA VAL A 51 0.371 0.379 3.573 1.00 0.23 H new ATOM 0 HB VAL A 51 0.338 -2.638 3.290 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.682 -2.627 4.062 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.502 -1.832 2.480 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.703 -0.851 3.951 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.862 -2.564 5.701 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.811 -0.785 5.650 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -0.665 -1.727 5.330 1.00 0.40 H new ATOM 831 N LEU A 52 1.644 0.555 1.485 1.00 0.23 N ATOM 832 CA LEU A 52 2.511 0.695 0.332 1.00 0.26 C ATOM 833 C LEU A 52 3.885 0.164 0.697 1.00 0.23 C ATOM 834 O LEU A 52 4.537 0.713 1.575 1.00 0.26 O ATOM 835 CB LEU A 52 2.613 2.175 -0.069 1.00 0.30 C ATOM 836 CG LEU A 52 1.590 2.649 -1.097 1.00 0.45 C ATOM 837 CD1 LEU A 52 1.822 4.106 -1.460 1.00 1.08 C ATOM 838 CD2 LEU A 52 1.635 1.779 -2.342 1.00 1.37 C ATOM 0 H LEU A 52 1.786 1.279 2.189 1.00 0.23 H new ATOM 0 HA LEU A 52 2.105 0.134 -0.510 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.509 2.785 0.829 1.00 0.30 H new ATOM 0 HB3 LEU A 52 3.612 2.358 -0.465 1.00 0.30 H new ATOM 0 HG LEU A 52 0.600 2.561 -0.650 1.00 0.45 H new ATOM 0 HD11 LEU A 52 1.080 4.421 -2.194 1.00 1.08 H new ATOM 0 HD12 LEU A 52 1.732 4.723 -0.566 1.00 1.08 H new ATOM 0 HD13 LEU A 52 2.821 4.222 -1.881 1.00 1.08 H new ATOM 0 HD21 LEU A 52 0.898 2.135 -3.061 1.00 1.37 H new ATOM 0 HD22 LEU A 52 2.629 1.830 -2.786 1.00 1.37 H new ATOM 0 HD23 LEU A 52 1.411 0.747 -2.073 1.00 1.37 H new ATOM 850 N LEU A 53 4.320 -0.910 0.064 1.00 0.22 N ATOM 851 CA LEU A 53 5.591 -1.518 0.441 1.00 0.22 C ATOM 852 C LEU A 53 6.554 -1.592 -0.740 1.00 0.19 C ATOM 853 O LEU A 53 6.205 -2.111 -1.804 1.00 0.20 O ATOM 854 CB LEU A 53 5.352 -2.929 0.990 1.00 0.31 C ATOM 855 CG LEU A 53 6.161 -3.316 2.238 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.593 -2.824 2.141 1.00 1.20 C ATOM 857 CD2 LEU A 53 5.503 -2.785 3.500 1.00 0.96 C ATOM 0 H LEU A 53 3.827 -1.375 -0.699 1.00 0.22 H new ATOM 0 HA LEU A 53 6.042 -0.889 1.209 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.292 -3.031 1.223 1.00 0.31 H new ATOM 0 HB3 LEU A 53 5.575 -3.647 0.200 1.00 0.31 H new ATOM 0 HG LEU A 53 6.180 -4.405 2.291 1.00 0.49 H new ATOM 0 HD11 LEU A 53 8.139 -3.114 3.039 1.00 1.20 H new ATOM 0 HD12 LEU A 53 8.071 -3.266 1.267 1.00 1.20 H new ATOM 0 HD13 LEU A 53 7.599 -1.738 2.047 1.00 1.20 H new ATOM 0 HD21 LEU A 53 6.096 -3.073 4.368 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.440 -1.698 3.448 1.00 0.96 H new ATOM 0 HD23 LEU A 53 4.500 -3.202 3.591 1.00 0.96 H new ATOM 869 N ASP A 54 7.761 -1.058 -0.561 1.00 0.20 N ATOM 870 CA ASP A 54 8.828 -1.287 -1.516 1.00 0.19 C ATOM 871 C ASP A 54 9.884 -2.211 -0.909 1.00 0.18 C ATOM 872 O ASP A 54 10.464 -1.908 0.130 1.00 0.24 O ATOM 873 CB ASP A 54 9.464 0.038 -1.947 1.00 0.23 C ATOM 874 CG ASP A 54 10.529 -0.148 -3.007 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.510 -1.187 -3.693 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.390 0.741 -3.167 1.00 0.83 O ATOM 0 H ASP A 54 8.017 -0.469 0.232 1.00 0.20 H new ATOM 0 HA ASP A 54 8.405 -1.765 -2.400 1.00 0.19 H new ATOM 0 HB2 ASP A 54 8.689 0.702 -2.328 1.00 0.23 H new ATOM 0 HB3 ASP A 54 9.903 0.527 -1.077 1.00 0.23 H new ATOM 881 N MET A 55 10.104 -3.357 -1.543 1.00 0.27 N ATOM 882 CA MET A 55 11.153 -4.284 -1.136 1.00 0.31 C ATOM 883 C MET A 55 12.503 -3.792 -1.649 1.00 0.32 C ATOM 884 O MET A 55 13.554 -4.178 -1.144 1.00 0.43 O ATOM 885 CB MET A 55 10.837 -5.704 -1.642 1.00 0.38 C ATOM 886 CG MET A 55 11.969 -6.717 -1.487 1.00 0.48 C ATOM 887 SD MET A 55 13.198 -6.640 -2.811 1.00 1.23 S ATOM 888 CE MET A 55 12.194 -7.042 -4.240 1.00 1.60 C ATOM 0 H MET A 55 9.563 -3.669 -2.350 1.00 0.27 H new ATOM 0 HA MET A 55 11.199 -4.326 -0.048 1.00 0.31 H new ATOM 0 HB2 MET A 55 9.962 -6.076 -1.108 1.00 0.38 H new ATOM 0 HB3 MET A 55 10.566 -5.645 -2.696 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.466 -6.550 -0.531 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.545 -7.721 -1.455 1.00 0.48 H new ATOM 0 HE1 MET A 55 12.835 -7.156 -5.114 1.00 1.60 H new ATOM 0 HE2 MET A 55 11.659 -7.974 -4.058 1.00 1.60 H new ATOM 0 HE3 MET A 55 11.477 -6.241 -4.418 1.00 1.60 H new ATOM 898 N LYS A 56 12.456 -2.888 -2.626 1.00 0.29 N ATOM 899 CA LYS A 56 13.662 -2.263 -3.165 1.00 0.35 C ATOM 900 C LYS A 56 14.131 -1.170 -2.212 1.00 0.30 C ATOM 901 O LYS A 56 14.998 -0.359 -2.541 1.00 0.37 O ATOM 902 CB LYS A 56 13.386 -1.662 -4.553 1.00 0.49 C ATOM 903 CG LYS A 56 12.815 -2.659 -5.551 1.00 0.76 C ATOM 904 CD LYS A 56 12.345 -1.998 -6.848 1.00 1.11 C ATOM 905 CE LYS A 56 11.111 -1.117 -6.651 1.00 1.26 C ATOM 906 NZ LYS A 56 11.432 0.195 -6.024 1.00 2.37 N ATOM 0 H LYS A 56 11.590 -2.571 -3.062 1.00 0.29 H new ATOM 0 HA LYS A 56 14.439 -3.021 -3.267 1.00 0.35 H new ATOM 0 HB2 LYS A 56 12.690 -0.830 -4.447 1.00 0.49 H new ATOM 0 HB3 LYS A 56 14.314 -1.253 -4.953 1.00 0.49 H new ATOM 0 HG2 LYS A 56 13.573 -3.407 -5.784 1.00 0.76 H new ATOM 0 HG3 LYS A 56 11.978 -3.185 -5.093 1.00 0.76 H new ATOM 0 HD2 LYS A 56 13.155 -1.394 -7.257 1.00 1.11 H new ATOM 0 HD3 LYS A 56 12.121 -2.771 -7.583 1.00 1.11 H new ATOM 0 HE2 LYS A 56 10.635 -0.946 -7.616 1.00 1.26 H new ATOM 0 HE3 LYS A 56 10.389 -1.645 -6.028 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 10.735 0.905 -6.327 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 11.403 0.101 -4.989 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 12.383 0.497 -6.318 1.00 2.37 H new ATOM 920 N ILE A 57 13.544 -1.170 -1.022 1.00 0.24 N ATOM 921 CA ILE A 57 13.847 -0.193 -0.007 1.00 0.24 C ATOM 922 C ILE A 57 15.148 -0.571 0.704 1.00 0.29 C ATOM 923 O ILE A 57 15.332 -1.713 1.132 1.00 0.32 O ATOM 924 CB ILE A 57 12.650 -0.060 0.992 1.00 0.22 C ATOM 925 CG1 ILE A 57 12.303 1.405 1.193 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.919 -0.735 2.338 1.00 0.25 C ATOM 927 CD1 ILE A 57 13.363 2.208 1.899 1.00 0.29 C ATOM 0 H ILE A 57 12.842 -1.855 -0.741 1.00 0.24 H new ATOM 0 HA ILE A 57 13.992 0.783 -0.470 1.00 0.24 H new ATOM 0 HB ILE A 57 11.802 -0.581 0.547 1.00 0.22 H new ATOM 0 HG12 ILE A 57 12.112 1.857 0.220 1.00 0.24 H new ATOM 0 HG13 ILE A 57 11.376 1.471 1.763 1.00 0.24 H new ATOM 0 HG21 ILE A 57 12.053 -0.609 2.988 1.00 0.25 H new ATOM 0 HG22 ILE A 57 13.104 -1.798 2.182 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.792 -0.280 2.805 1.00 0.25 H new ATOM 0 HD11 ILE A 57 13.031 3.241 1.999 1.00 0.29 H new ATOM 0 HD12 ILE A 57 13.540 1.786 2.888 1.00 0.29 H new ATOM 0 HD13 ILE A 57 14.287 2.178 1.321 1.00 0.29 H new ATOM 939 N PRO A 58 16.102 0.368 0.750 1.00 0.33 N ATOM 940 CA PRO A 58 17.355 0.189 1.482 1.00 0.38 C ATOM 941 C PRO A 58 17.109 -0.031 2.969 1.00 0.37 C ATOM 942 O PRO A 58 16.503 0.806 3.637 1.00 0.37 O ATOM 943 CB PRO A 58 18.103 1.499 1.249 1.00 0.43 C ATOM 944 CG PRO A 58 17.465 2.109 0.048 1.00 0.41 C ATOM 945 CD PRO A 58 16.037 1.669 0.076 1.00 0.36 C ATOM 0 HA PRO A 58 17.909 -0.687 1.144 1.00 0.38 H new ATOM 0 HB2 PRO A 58 18.022 2.157 2.114 1.00 0.43 H new ATOM 0 HB3 PRO A 58 19.165 1.321 1.082 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.540 3.196 0.076 1.00 0.41 H new ATOM 0 HG3 PRO A 58 17.958 1.779 -0.866 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.409 2.374 0.621 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.622 1.582 -0.928 1.00 0.36 H new ATOM 953 N GLY A 59 17.565 -1.166 3.474 1.00 0.41 N ATOM 954 CA GLY A 59 17.344 -1.499 4.861 1.00 0.44 C ATOM 955 C GLY A 59 16.929 -2.936 5.034 1.00 0.42 C ATOM 956 O GLY A 59 17.711 -3.777 5.481 1.00 0.55 O ATOM 0 H GLY A 59 18.086 -1.864 2.944 1.00 0.41 H new ATOM 0 HA2 GLY A 59 18.256 -1.314 5.429 1.00 0.44 H new ATOM 0 HA3 GLY A 59 16.574 -0.847 5.273 1.00 0.44 H new ATOM 960 N MET A 60 15.691 -3.209 4.669 1.00 0.38 N ATOM 961 CA MET A 60 15.111 -4.541 4.806 1.00 0.39 C ATOM 962 C MET A 60 14.372 -4.942 3.538 1.00 0.36 C ATOM 963 O MET A 60 14.063 -4.099 2.695 1.00 0.34 O ATOM 964 CB MET A 60 14.131 -4.595 5.980 1.00 0.40 C ATOM 965 CG MET A 60 14.767 -4.339 7.340 1.00 0.53 C ATOM 966 SD MET A 60 15.960 -5.607 7.817 1.00 0.78 S ATOM 967 CE MET A 60 14.896 -7.042 7.966 1.00 1.51 C ATOM 0 H MET A 60 15.056 -2.518 4.269 1.00 0.38 H new ATOM 0 HA MET A 60 15.933 -5.234 4.987 1.00 0.39 H new ATOM 0 HB2 MET A 60 13.344 -3.859 5.816 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.653 -5.574 5.994 1.00 0.40 H new ATOM 0 HG2 MET A 60 15.264 -3.369 7.325 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.983 -4.284 8.096 1.00 0.53 H new ATOM 0 HE1 MET A 60 15.402 -7.811 8.550 1.00 1.51 H new ATOM 0 HE2 MET A 60 13.970 -6.758 8.466 1.00 1.51 H new ATOM 0 HE3 MET A 60 14.668 -7.431 6.973 1.00 1.51 H new ATOM 977 N ASP A 61 14.061 -6.224 3.421 1.00 0.38 N ATOM 978 CA ASP A 61 13.279 -6.713 2.292 1.00 0.38 C ATOM 979 C ASP A 61 11.810 -6.539 2.599 1.00 0.32 C ATOM 980 O ASP A 61 11.217 -7.345 3.318 1.00 0.33 O ATOM 981 CB ASP A 61 13.543 -8.182 1.974 1.00 0.48 C ATOM 982 CG ASP A 61 14.990 -8.487 1.637 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.853 -8.399 2.536 1.00 0.84 O ATOM 984 OD2 ASP A 61 15.263 -8.847 0.472 1.00 0.88 O ATOM 0 H ASP A 61 14.336 -6.943 4.090 1.00 0.38 H new ATOM 0 HA ASP A 61 13.577 -6.132 1.419 1.00 0.38 H new ATOM 0 HB2 ASP A 61 13.244 -8.788 2.829 1.00 0.48 H new ATOM 0 HB3 ASP A 61 12.914 -8.481 1.135 1.00 0.48 H new ATOM 989 N GLY A 62 11.231 -5.473 2.069 1.00 0.33 N ATOM 990 CA GLY A 62 9.833 -5.183 2.312 1.00 0.37 C ATOM 991 C GLY A 62 8.925 -6.340 1.949 1.00 0.36 C ATOM 992 O GLY A 62 7.841 -6.478 2.515 1.00 0.40 O ATOM 0 H GLY A 62 11.708 -4.799 1.471 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.695 -4.934 3.364 1.00 0.37 H new ATOM 0 HA3 GLY A 62 9.543 -4.304 1.736 1.00 0.37 H new ATOM 996 N ILE A 63 9.373 -7.157 0.999 1.00 0.35 N ATOM 997 CA ILE A 63 8.663 -8.368 0.606 1.00 0.36 C ATOM 998 C ILE A 63 8.211 -9.193 1.826 1.00 0.32 C ATOM 999 O ILE A 63 7.022 -9.463 1.990 1.00 0.33 O ATOM 1000 CB ILE A 63 9.539 -9.223 -0.350 1.00 0.42 C ATOM 1001 CG1 ILE A 63 8.819 -10.506 -0.755 1.00 0.64 C ATOM 1002 CG2 ILE A 63 10.893 -9.544 0.272 1.00 0.39 C ATOM 1003 CD1 ILE A 63 9.595 -11.343 -1.750 1.00 1.60 C ATOM 0 H ILE A 63 10.237 -6.997 0.481 1.00 0.35 H new ATOM 0 HA ILE A 63 7.761 -8.064 0.075 1.00 0.36 H new ATOM 0 HB ILE A 63 9.714 -8.630 -1.248 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.625 -11.102 0.137 1.00 0.64 H new ATOM 0 HG13 ILE A 63 7.850 -10.250 -1.184 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.480 -10.143 -0.424 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.423 -8.616 0.489 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.746 -10.102 1.197 1.00 0.39 H new ATOM 0 HD11 ILE A 63 9.025 -12.240 -1.994 1.00 1.60 H new ATOM 0 HD12 ILE A 63 9.766 -10.764 -2.657 1.00 1.60 H new ATOM 0 HD13 ILE A 63 10.553 -11.629 -1.316 1.00 1.60 H new ATOM 1015 N GLU A 64 9.151 -9.548 2.697 1.00 0.31 N ATOM 1016 CA GLU A 64 8.860 -10.340 3.886 1.00 0.33 C ATOM 1017 C GLU A 64 7.854 -9.624 4.777 1.00 0.28 C ATOM 1018 O GLU A 64 6.943 -10.239 5.338 1.00 0.30 O ATOM 1019 CB GLU A 64 10.150 -10.576 4.674 1.00 0.40 C ATOM 1020 CG GLU A 64 11.274 -11.178 3.846 1.00 0.49 C ATOM 1021 CD GLU A 64 11.060 -12.646 3.556 1.00 0.69 C ATOM 1022 OE1 GLU A 64 10.196 -12.972 2.724 1.00 0.86 O ATOM 1023 OE2 GLU A 64 11.759 -13.485 4.158 1.00 0.97 O ATOM 0 H GLU A 64 10.134 -9.295 2.598 1.00 0.31 H new ATOM 0 HA GLU A 64 8.436 -11.293 3.570 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.487 -9.628 5.093 1.00 0.40 H new ATOM 0 HB3 GLU A 64 9.936 -11.237 5.514 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.359 -10.634 2.905 1.00 0.49 H new ATOM 0 HG3 GLU A 64 12.219 -11.050 4.375 1.00 0.49 H new ATOM 1030 N ILE A 65 8.026 -8.316 4.889 1.00 0.27 N ATOM 1031 CA ILE A 65 7.190 -7.511 5.759 1.00 0.27 C ATOM 1032 C ILE A 65 5.745 -7.495 5.270 1.00 0.27 C ATOM 1033 O ILE A 65 4.823 -7.702 6.058 1.00 0.29 O ATOM 1034 CB ILE A 65 7.722 -6.058 5.894 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.977 -6.005 6.782 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.647 -5.139 6.455 1.00 0.34 C ATOM 1037 CD1 ILE A 65 10.219 -6.584 6.144 1.00 0.32 C ATOM 0 H ILE A 65 8.740 -7.790 4.385 1.00 0.27 H new ATOM 0 HA ILE A 65 7.223 -7.974 6.745 1.00 0.27 H new ATOM 0 HB ILE A 65 7.993 -5.713 4.896 1.00 0.28 H new ATOM 0 HG12 ILE A 65 9.172 -4.967 7.052 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.775 -6.543 7.708 1.00 0.30 H new ATOM 0 HG21 ILE A 65 7.042 -4.127 6.541 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.785 -5.137 5.787 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.342 -5.494 7.439 1.00 0.34 H new ATOM 0 HD11 ILE A 65 11.055 -6.506 6.839 1.00 0.32 H new ATOM 0 HD12 ILE A 65 10.047 -7.632 5.899 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.451 -6.032 5.233 1.00 0.32 H new ATOM 1049 N LEU A 66 5.538 -7.281 3.971 1.00 0.29 N ATOM 1050 CA LEU A 66 4.194 -7.246 3.431 1.00 0.34 C ATOM 1051 C LEU A 66 3.520 -8.605 3.561 1.00 0.32 C ATOM 1052 O LEU A 66 2.312 -8.675 3.804 1.00 0.34 O ATOM 1053 CB LEU A 66 4.215 -6.727 1.986 1.00 0.52 C ATOM 1054 CG LEU A 66 4.903 -7.595 0.920 1.00 1.02 C ATOM 1055 CD1 LEU A 66 4.013 -8.741 0.452 1.00 1.98 C ATOM 1056 CD2 LEU A 66 5.310 -6.728 -0.260 1.00 1.67 C ATOM 0 H LEU A 66 6.279 -7.132 3.286 1.00 0.29 H new ATOM 0 HA LEU A 66 3.593 -6.548 4.013 1.00 0.34 H new ATOM 0 HB2 LEU A 66 3.183 -6.568 1.673 1.00 0.52 H new ATOM 0 HB3 LEU A 66 4.701 -5.752 1.988 1.00 0.52 H new ATOM 0 HG LEU A 66 5.789 -8.040 1.373 1.00 1.02 H new ATOM 0 HD11 LEU A 66 4.540 -9.327 -0.301 1.00 1.98 H new ATOM 0 HD12 LEU A 66 3.765 -9.379 1.300 1.00 1.98 H new ATOM 0 HD13 LEU A 66 3.097 -8.337 0.021 1.00 1.98 H new ATOM 0 HD21 LEU A 66 5.798 -7.346 -1.014 1.00 1.67 H new ATOM 0 HD22 LEU A 66 4.424 -6.261 -0.691 1.00 1.67 H new ATOM 0 HD23 LEU A 66 6.000 -5.955 0.077 1.00 1.67 H new ATOM 1068 N LYS A 67 4.302 -9.680 3.439 1.00 0.32 N ATOM 1069 CA LYS A 67 3.773 -11.020 3.654 1.00 0.37 C ATOM 1070 C LYS A 67 3.177 -11.108 5.055 1.00 0.38 C ATOM 1071 O LYS A 67 2.018 -11.508 5.231 1.00 0.44 O ATOM 1072 CB LYS A 67 4.862 -12.081 3.478 1.00 0.42 C ATOM 1073 CG LYS A 67 5.615 -11.983 2.162 1.00 0.40 C ATOM 1074 CD LYS A 67 6.795 -12.938 2.133 1.00 0.43 C ATOM 1075 CE LYS A 67 7.434 -13.017 0.761 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.692 -13.809 0.783 1.00 1.27 N ATOM 0 H LYS A 67 5.292 -9.646 3.195 1.00 0.32 H new ATOM 0 HA LYS A 67 2.999 -11.211 2.911 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.574 -11.996 4.299 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.407 -13.069 3.552 1.00 0.42 H new ATOM 0 HG2 LYS A 67 4.940 -12.209 1.336 1.00 0.40 H new ATOM 0 HG3 LYS A 67 5.967 -10.962 2.016 1.00 0.40 H new ATOM 0 HD2 LYS A 67 7.540 -12.615 2.861 1.00 0.43 H new ATOM 0 HD3 LYS A 67 6.464 -13.931 2.435 1.00 0.43 H new ATOM 0 HE2 LYS A 67 6.733 -13.468 0.059 1.00 1.34 H new ATOM 0 HE3 LYS A 67 7.644 -12.010 0.399 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 9.282 -13.546 -0.032 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 9.210 -13.613 1.663 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 8.465 -14.823 0.733 1.00 1.27 H new ATOM 1090 N ARG A 68 3.969 -10.696 6.039 1.00 0.35 N ATOM 1091 CA ARG A 68 3.536 -10.632 7.421 1.00 0.41 C ATOM 1092 C ARG A 68 2.311 -9.738 7.574 1.00 0.39 C ATOM 1093 O ARG A 68 1.432 -10.041 8.350 1.00 0.46 O ATOM 1094 CB ARG A 68 4.683 -10.079 8.241 1.00 0.45 C ATOM 1095 CG ARG A 68 4.493 -10.151 9.737 1.00 0.49 C ATOM 1096 CD ARG A 68 5.754 -9.676 10.402 1.00 1.11 C ATOM 1097 NE ARG A 68 5.918 -10.214 11.750 1.00 1.70 N ATOM 1098 CZ ARG A 68 7.051 -10.758 12.193 1.00 2.45 C ATOM 1099 NH1 ARG A 68 8.099 -10.873 11.381 1.00 2.71 N ATOM 1100 NH2 ARG A 68 7.134 -11.190 13.446 1.00 3.22 N ATOM 0 H ARG A 68 4.933 -10.397 5.895 1.00 0.35 H new ATOM 0 HA ARG A 68 3.259 -11.629 7.763 1.00 0.41 H new ATOM 0 HB2 ARG A 68 5.591 -10.622 7.979 1.00 0.45 H new ATOM 0 HB3 ARG A 68 4.841 -9.038 7.960 1.00 0.45 H new ATOM 0 HG2 ARG A 68 3.648 -9.533 10.042 1.00 0.49 H new ATOM 0 HG3 ARG A 68 4.266 -11.173 10.041 1.00 0.49 H new ATOM 0 HD2 ARG A 68 6.611 -9.964 9.794 1.00 1.11 H new ATOM 0 HD3 ARG A 68 5.747 -8.587 10.448 1.00 1.11 H new ATOM 0 HE ARG A 68 5.122 -10.171 12.387 1.00 1.70 H new ATOM 0 HH11 ARG A 68 8.036 -10.544 10.417 1.00 2.71 H new ATOM 0 HH12 ARG A 68 8.965 -11.290 11.722 1.00 2.71 H new ATOM 0 HH21 ARG A 68 6.331 -11.105 14.069 1.00 3.22 H new ATOM 0 HH22 ARG A 68 8.001 -11.606 13.785 1.00 3.22 H new ATOM 1114 N MET A 69 2.253 -8.646 6.825 1.00 0.34 N ATOM 1115 CA MET A 69 1.136 -7.704 6.927 1.00 0.36 C ATOM 1116 C MET A 69 -0.205 -8.374 6.655 1.00 0.41 C ATOM 1117 O MET A 69 -1.124 -8.291 7.483 1.00 0.45 O ATOM 1118 CB MET A 69 1.326 -6.549 5.956 1.00 0.38 C ATOM 1119 CG MET A 69 2.501 -5.656 6.301 1.00 0.42 C ATOM 1120 SD MET A 69 2.255 -4.755 7.841 1.00 1.16 S ATOM 1121 CE MET A 69 3.733 -3.747 7.885 1.00 1.18 C ATOM 0 H MET A 69 2.963 -8.386 6.140 1.00 0.34 H new ATOM 0 HA MET A 69 1.128 -7.330 7.951 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.466 -6.949 4.952 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.417 -5.948 5.936 1.00 0.38 H new ATOM 0 HG2 MET A 69 3.403 -6.262 6.379 1.00 0.42 H new ATOM 0 HG3 MET A 69 2.663 -4.946 5.490 1.00 0.42 H new ATOM 0 HE1 MET A 69 3.548 -2.855 8.484 1.00 1.18 H new ATOM 0 HE2 MET A 69 4.550 -4.318 8.327 1.00 1.18 H new ATOM 0 HE3 MET A 69 4.003 -3.453 6.871 1.00 1.18 H new ATOM 1131 N LYS A 70 -0.335 -9.038 5.500 1.00 0.47 N ATOM 1132 CA LYS A 70 -1.561 -9.804 5.239 1.00 0.60 C ATOM 1133 C LYS A 70 -1.737 -10.817 6.355 1.00 0.66 C ATOM 1134 O LYS A 70 -2.843 -11.104 6.789 1.00 0.90 O ATOM 1135 CB LYS A 70 -1.541 -10.579 3.914 1.00 0.80 C ATOM 1136 CG LYS A 70 -1.012 -9.828 2.712 1.00 0.98 C ATOM 1137 CD LYS A 70 0.421 -10.222 2.378 1.00 1.71 C ATOM 1138 CE LYS A 70 0.586 -11.712 2.079 1.00 2.51 C ATOM 1139 NZ LYS A 70 0.483 -12.568 3.298 1.00 3.32 N ATOM 0 H LYS A 70 0.363 -9.063 4.757 1.00 0.47 H new ATOM 0 HA LYS A 70 -2.374 -9.080 5.183 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -0.938 -11.477 4.051 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -2.557 -10.908 3.693 1.00 0.80 H new ATOM 0 HG2 LYS A 70 -1.652 -10.024 1.852 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -1.058 -8.756 2.905 1.00 0.98 H new ATOM 0 HD2 LYS A 70 0.757 -9.646 1.515 1.00 1.71 H new ATOM 0 HD3 LYS A 70 1.068 -9.952 3.213 1.00 1.71 H new ATOM 0 HE2 LYS A 70 -0.175 -12.019 1.361 1.00 2.51 H new ATOM 0 HE3 LYS A 70 1.555 -11.877 1.607 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 1.202 -13.318 3.257 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 0.638 -11.985 4.145 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 -0.463 -12.998 3.342 1.00 3.32 H new ATOM 1153 N VAL A 71 -0.606 -11.325 6.818 1.00 0.59 N ATOM 1154 CA VAL A 71 -0.562 -12.316 7.882 1.00 0.66 C ATOM 1155 C VAL A 71 -1.068 -11.740 9.220 1.00 0.67 C ATOM 1156 O VAL A 71 -1.559 -12.476 10.078 1.00 0.79 O ATOM 1157 CB VAL A 71 0.884 -12.855 7.992 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.267 -13.230 9.403 1.00 0.76 C ATOM 1159 CG2 VAL A 71 1.069 -14.046 7.064 1.00 0.75 C ATOM 0 H VAL A 71 0.313 -11.060 6.464 1.00 0.59 H new ATOM 0 HA VAL A 71 -1.234 -13.140 7.640 1.00 0.66 H new ATOM 0 HB VAL A 71 1.548 -12.044 7.691 1.00 0.65 H new ATOM 0 HG11 VAL A 71 2.292 -13.601 9.415 1.00 0.76 H new ATOM 0 HG12 VAL A 71 1.191 -12.353 10.046 1.00 0.76 H new ATOM 0 HG13 VAL A 71 0.595 -14.007 9.768 1.00 0.76 H new ATOM 0 HG21 VAL A 71 2.090 -14.418 7.149 1.00 0.75 H new ATOM 0 HG22 VAL A 71 0.371 -14.836 7.342 1.00 0.75 H new ATOM 0 HG23 VAL A 71 0.879 -13.739 6.036 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.984 -10.421 9.377 1.00 0.59 N ATOM 1170 CA ILE A 72 -1.420 -9.767 10.608 1.00 0.64 C ATOM 1171 C ILE A 72 -2.910 -9.444 10.572 1.00 0.66 C ATOM 1172 O ILE A 72 -3.614 -9.603 11.572 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.657 -8.441 10.872 1.00 0.62 C ATOM 1174 CG1 ILE A 72 0.853 -8.638 10.734 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -0.997 -7.903 12.256 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.678 -7.428 11.117 1.00 1.48 C ATOM 0 H ILE A 72 -0.619 -9.785 8.668 1.00 0.59 H new ATOM 0 HA ILE A 72 -1.205 -10.476 11.407 1.00 0.64 H new ATOM 0 HB ILE A 72 -0.972 -7.714 10.124 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.156 -9.481 11.356 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.080 -8.905 9.702 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.455 -6.973 12.428 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -2.069 -7.716 12.320 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.711 -8.635 13.011 1.00 0.79 H new ATOM 0 HD11 ILE A 72 2.737 -7.654 10.990 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.407 -6.586 10.479 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.485 -7.171 12.158 1.00 1.48 H new ATOM 1188 N ASP A 73 -3.399 -8.987 9.424 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.753 -8.443 9.370 1.00 0.67 C ATOM 1190 C ASP A 73 -5.684 -9.231 8.442 1.00 0.72 C ATOM 1191 O ASP A 73 -6.764 -9.647 8.856 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.692 -6.984 8.936 1.00 0.64 C ATOM 1193 CG ASP A 73 -5.854 -6.181 9.465 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -5.881 -5.903 10.682 1.00 0.91 O ATOM 1195 OD2 ASP A 73 -6.741 -5.830 8.669 1.00 1.88 O ATOM 0 H ASP A 73 -2.894 -8.981 8.538 1.00 0.61 H new ATOM 0 HA ASP A 73 -5.175 -8.526 10.371 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -3.759 -6.542 9.285 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -4.682 -6.931 7.847 1.00 0.64 H new ATOM 1200 N GLU A 74 -5.276 -9.357 7.178 1.00 0.67 N ATOM 1201 CA GLU A 74 -6.000 -10.119 6.140 1.00 0.75 C ATOM 1202 C GLU A 74 -7.087 -9.248 5.542 1.00 0.74 C ATOM 1203 O GLU A 74 -7.836 -9.655 4.655 1.00 0.86 O ATOM 1204 CB GLU A 74 -6.591 -11.426 6.678 1.00 0.88 C ATOM 1205 CG GLU A 74 -5.552 -12.358 7.264 1.00 0.99 C ATOM 1206 CD GLU A 74 -6.164 -13.611 7.845 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -6.622 -13.574 9.007 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -6.199 -14.640 7.140 1.00 1.31 O ATOM 0 H GLU A 74 -4.418 -8.927 6.833 1.00 0.67 H new ATOM 0 HA GLU A 74 -5.282 -10.397 5.368 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -7.332 -11.194 7.442 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -7.115 -11.939 5.871 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -4.836 -12.632 6.489 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -4.996 -11.835 8.042 1.00 0.99 H new ATOM 1215 N ASN A 75 -7.136 -8.035 6.048 1.00 0.68 N ATOM 1216 CA ASN A 75 -8.080 -7.024 5.606 1.00 0.74 C ATOM 1217 C ASN A 75 -7.294 -5.842 5.080 1.00 0.67 C ATOM 1218 O ASN A 75 -7.757 -5.062 4.244 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.935 -6.608 6.792 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.924 -7.680 7.191 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -11.084 -7.670 6.778 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -9.462 -8.629 7.988 1.00 1.00 N ATOM 0 H ASN A 75 -6.513 -7.716 6.790 1.00 0.68 H new ATOM 0 HA ASN A 75 -8.729 -7.407 4.818 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -8.289 -6.379 7.640 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -9.474 -5.693 6.545 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -10.074 -9.390 8.283 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.494 -8.600 8.308 1.00 1.00 H new ATOM 1229 N ILE A 76 -6.085 -5.743 5.606 1.00 0.57 N ATOM 1230 CA ILE A 76 -5.112 -4.758 5.194 1.00 0.51 C ATOM 1231 C ILE A 76 -4.822 -4.885 3.705 1.00 0.40 C ATOM 1232 O ILE A 76 -4.488 -5.962 3.204 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.819 -4.918 6.029 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -2.858 -3.767 5.763 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -3.139 -6.261 5.762 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -1.699 -3.731 6.734 1.00 0.59 C ATOM 0 H ILE A 76 -5.750 -6.360 6.346 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.516 -3.761 5.370 1.00 0.51 H new ATOM 0 HB ILE A 76 -4.103 -4.895 7.081 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.472 -3.850 4.747 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.403 -2.825 5.821 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -2.235 -6.337 6.366 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.819 -7.072 6.023 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.877 -6.333 4.706 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -1.049 -2.890 6.494 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -2.079 -3.618 7.750 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -1.133 -4.659 6.659 1.00 0.59 H new ATOM 1248 N ARG A 77 -4.997 -3.793 2.987 1.00 0.42 N ATOM 1249 CA ARG A 77 -4.727 -3.800 1.569 1.00 0.39 C ATOM 1250 C ARG A 77 -3.237 -3.652 1.350 1.00 0.37 C ATOM 1251 O ARG A 77 -2.676 -2.567 1.504 1.00 0.53 O ATOM 1252 CB ARG A 77 -5.488 -2.690 0.846 1.00 0.55 C ATOM 1253 CG ARG A 77 -6.969 -2.637 1.187 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.663 -3.978 1.009 1.00 0.79 C ATOM 1255 NE ARG A 77 -9.069 -3.793 0.648 1.00 1.24 N ATOM 1256 CZ ARG A 77 -10.043 -3.540 1.517 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -9.820 -3.599 2.825 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -11.257 -3.254 1.068 1.00 1.93 N ATOM 0 H ARG A 77 -5.321 -2.901 3.360 1.00 0.42 H new ATOM 0 HA ARG A 77 -5.069 -4.747 1.153 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -5.034 -1.731 1.093 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -5.377 -2.828 -0.230 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -7.088 -2.306 2.219 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -7.456 -1.894 0.555 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -7.157 -4.554 0.234 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.593 -4.554 1.932 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.319 -3.863 -0.338 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -8.892 -3.841 3.174 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -10.576 -3.403 3.481 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -11.437 -3.230 0.064 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -12.011 -3.058 1.726 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.598 -4.753 1.016 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.170 -4.757 0.800 1.00 0.38 C ATOM 1274 C VAL A 78 -0.873 -4.394 -0.640 1.00 0.38 C ATOM 1275 O VAL A 78 -1.184 -5.135 -1.572 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.539 -6.122 1.145 1.00 0.43 C ATOM 1277 CG1 VAL A 78 -0.451 -6.295 2.652 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -1.342 -7.260 0.531 1.00 0.88 C ATOM 0 H VAL A 78 -3.048 -5.659 0.888 1.00 0.33 H new ATOM 0 HA VAL A 78 -0.728 -4.016 1.466 1.00 0.38 H new ATOM 0 HB VAL A 78 0.467 -6.149 0.727 1.00 0.43 H new ATOM 0 HG11 VAL A 78 -0.004 -7.262 2.882 1.00 0.95 H new ATOM 0 HG12 VAL A 78 0.165 -5.501 3.074 1.00 0.95 H new ATOM 0 HG13 VAL A 78 -1.451 -6.246 3.083 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.878 -8.212 0.788 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -2.361 -7.237 0.918 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.363 -7.147 -0.553 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.312 -3.220 -0.807 1.00 0.28 N ATOM 1289 CA ILE A 79 -0.040 -2.682 -2.114 1.00 0.29 C ATOM 1290 C ILE A 79 1.467 -2.641 -2.346 1.00 0.28 C ATOM 1291 O ILE A 79 2.242 -2.282 -1.456 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.649 -1.272 -2.250 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.134 -1.296 -1.838 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.491 -0.757 -3.677 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -3.048 -1.975 -2.835 1.00 0.59 C ATOM 0 H ILE A 79 -0.032 -2.612 -0.038 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.496 -3.323 -2.868 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.116 -0.593 -1.585 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.224 -1.803 -0.877 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.474 -0.271 -1.691 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.926 0.239 -3.755 1.00 0.45 H new ATOM 0 HG22 ILE A 79 0.568 -0.711 -3.932 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -1.001 -1.431 -4.365 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -4.073 -1.947 -2.466 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.992 -1.456 -3.792 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.738 -3.012 -2.966 1.00 0.59 H new ATOM 1307 N ILE A 80 1.876 -3.018 -3.539 1.00 0.31 N ATOM 1308 CA ILE A 80 3.281 -3.207 -3.836 1.00 0.32 C ATOM 1309 C ILE A 80 3.798 -2.151 -4.801 1.00 0.37 C ATOM 1310 O ILE A 80 3.236 -1.942 -5.875 1.00 0.46 O ATOM 1311 CB ILE A 80 3.544 -4.627 -4.394 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.831 -4.674 -5.215 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.370 -5.115 -5.228 1.00 0.47 C ATOM 1314 CD1 ILE A 80 5.209 -6.072 -5.650 1.00 0.45 C ATOM 0 H ILE A 80 1.251 -3.201 -4.324 1.00 0.31 H new ATOM 0 HA ILE A 80 3.827 -3.097 -2.899 1.00 0.32 H new ATOM 0 HB ILE A 80 3.661 -5.293 -3.539 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.715 -4.045 -6.097 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.645 -4.251 -4.627 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.583 -6.115 -5.607 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.472 -5.145 -4.610 1.00 0.47 H new ATOM 0 HG23 ILE A 80 2.212 -4.436 -6.066 1.00 0.47 H new ATOM 0 HD11 ILE A 80 6.132 -6.036 -6.229 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.356 -6.699 -4.771 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.411 -6.490 -6.264 1.00 0.45 H new ATOM 1326 N MET A 81 4.875 -1.494 -4.400 1.00 0.35 N ATOM 1327 CA MET A 81 5.518 -0.478 -5.218 1.00 0.43 C ATOM 1328 C MET A 81 6.965 -0.879 -5.460 1.00 0.45 C ATOM 1329 O MET A 81 7.832 -0.054 -5.762 1.00 0.57 O ATOM 1330 CB MET A 81 5.425 0.891 -4.533 1.00 0.48 C ATOM 1331 CG MET A 81 5.987 0.906 -3.119 1.00 0.47 C ATOM 1332 SD MET A 81 5.563 2.401 -2.208 1.00 0.99 S ATOM 1333 CE MET A 81 6.454 3.647 -3.141 1.00 1.36 C ATOM 0 H MET A 81 5.328 -1.650 -3.499 1.00 0.35 H new ATOM 0 HA MET A 81 5.011 -0.399 -6.179 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.960 1.626 -5.135 1.00 0.48 H new ATOM 0 HB3 MET A 81 4.381 1.202 -4.503 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.613 0.038 -2.576 1.00 0.47 H new ATOM 0 HG3 MET A 81 7.072 0.810 -3.164 1.00 0.47 H new ATOM 0 HE1 MET A 81 6.388 4.605 -2.624 1.00 1.36 H new ATOM 0 HE2 MET A 81 7.500 3.355 -3.232 1.00 1.36 H new ATOM 0 HE3 MET A 81 6.016 3.740 -4.135 1.00 1.36 H new ATOM 1343 N THR A 82 7.199 -2.174 -5.331 1.00 0.39 N ATOM 1344 CA THR A 82 8.508 -2.754 -5.517 1.00 0.42 C ATOM 1345 C THR A 82 8.518 -3.633 -6.775 1.00 0.48 C ATOM 1346 O THR A 82 7.820 -3.331 -7.741 1.00 0.52 O ATOM 1347 CB THR A 82 8.909 -3.560 -4.266 1.00 0.40 C ATOM 1348 OG1 THR A 82 10.268 -3.977 -4.371 1.00 0.43 O ATOM 1349 CG2 THR A 82 8.007 -4.763 -4.040 1.00 0.44 C ATOM 0 H THR A 82 6.477 -2.853 -5.092 1.00 0.39 H new ATOM 0 HA THR A 82 9.241 -1.959 -5.655 1.00 0.42 H new ATOM 0 HB THR A 82 8.792 -2.904 -3.404 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.858 -3.209 -4.221 1.00 0.43 H new ATOM 0 HG21 THR A 82 8.331 -5.298 -3.147 1.00 0.44 H new ATOM 0 HG22 THR A 82 6.978 -4.427 -3.909 1.00 0.44 H new ATOM 0 HG23 THR A 82 8.064 -5.428 -4.902 1.00 0.44 H new ATOM 1357 N ALA A 83 9.321 -4.690 -6.784 1.00 0.54 N ATOM 1358 CA ALA A 83 9.345 -5.612 -7.906 1.00 0.64 C ATOM 1359 C ALA A 83 7.987 -6.279 -8.042 1.00 0.69 C ATOM 1360 O ALA A 83 7.687 -7.242 -7.350 1.00 0.74 O ATOM 1361 CB ALA A 83 10.437 -6.651 -7.718 1.00 0.77 C ATOM 0 H ALA A 83 9.962 -4.927 -6.027 1.00 0.54 H new ATOM 0 HA ALA A 83 9.562 -5.059 -8.820 1.00 0.64 H new ATOM 0 HB1 ALA A 83 10.440 -7.333 -8.568 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.404 -6.154 -7.648 1.00 0.77 H new ATOM 0 HB3 ALA A 83 10.251 -7.213 -6.803 1.00 0.77 H new ATOM 1367 N TYR A 84 7.166 -5.748 -8.934 1.00 0.75 N ATOM 1368 CA TYR A 84 5.776 -6.167 -9.048 1.00 0.93 C ATOM 1369 C TYR A 84 5.652 -7.589 -9.579 1.00 1.04 C ATOM 1370 O TYR A 84 4.555 -8.138 -9.661 1.00 1.38 O ATOM 1371 CB TYR A 84 4.997 -5.177 -9.918 1.00 1.14 C ATOM 1372 CG TYR A 84 5.150 -5.391 -11.409 1.00 1.02 C ATOM 1373 CD1 TYR A 84 6.365 -5.183 -12.044 1.00 1.17 C ATOM 1374 CD2 TYR A 84 4.066 -5.789 -12.182 1.00 1.23 C ATOM 1375 CE1 TYR A 84 6.496 -5.366 -13.408 1.00 1.68 C ATOM 1376 CE2 TYR A 84 4.189 -5.976 -13.542 1.00 1.55 C ATOM 1377 CZ TYR A 84 5.403 -5.764 -14.151 1.00 1.84 C ATOM 1378 OH TYR A 84 5.523 -5.947 -15.507 1.00 2.42 O ATOM 0 H TYR A 84 7.440 -5.021 -9.595 1.00 0.75 H new ATOM 0 HA TYR A 84 5.342 -6.168 -8.048 1.00 0.93 H new ATOM 0 HB2 TYR A 84 3.940 -5.242 -9.662 1.00 1.14 H new ATOM 0 HB3 TYR A 84 5.322 -4.166 -9.674 1.00 1.14 H new ATOM 0 HD1 TYR A 84 7.222 -4.873 -11.464 1.00 1.17 H new ATOM 0 HD2 TYR A 84 3.110 -5.955 -11.708 1.00 1.23 H new ATOM 0 HE1 TYR A 84 7.448 -5.199 -13.889 1.00 1.68 H new ATOM 0 HE2 TYR A 84 3.336 -6.288 -14.126 1.00 1.55 H new ATOM 0 HH TYR A 84 4.660 -6.228 -15.877 1.00 2.42 H new ATOM 1388 N GLY A 85 6.782 -8.190 -9.918 1.00 1.18 N ATOM 1389 CA GLY A 85 6.812 -9.608 -10.198 1.00 1.31 C ATOM 1390 C GLY A 85 6.823 -10.408 -8.908 1.00 1.26 C ATOM 1391 O GLY A 85 7.219 -11.571 -8.880 1.00 1.37 O ATOM 0 H GLY A 85 7.682 -7.718 -10.004 1.00 1.18 H new ATOM 0 HA2 GLY A 85 5.944 -9.884 -10.796 1.00 1.31 H new ATOM 0 HA3 GLY A 85 7.696 -9.849 -10.789 1.00 1.31 H new ATOM 1395 N GLU A 86 6.393 -9.765 -7.831 1.00 1.14 N ATOM 1396 CA GLU A 86 6.322 -10.392 -6.531 1.00 1.12 C ATOM 1397 C GLU A 86 4.979 -11.084 -6.351 1.00 1.14 C ATOM 1398 O GLU A 86 4.792 -11.880 -5.441 1.00 1.13 O ATOM 1399 CB GLU A 86 6.581 -9.362 -5.438 1.00 1.04 C ATOM 1400 CG GLU A 86 7.991 -9.441 -4.876 1.00 1.04 C ATOM 1401 CD GLU A 86 8.249 -8.429 -3.778 1.00 1.60 C ATOM 1402 OE1 GLU A 86 7.501 -8.428 -2.781 1.00 2.16 O ATOM 1403 OE2 GLU A 86 9.205 -7.641 -3.912 1.00 1.64 O ATOM 0 H GLU A 86 6.085 -8.793 -7.841 1.00 1.14 H new ATOM 0 HA GLU A 86 7.096 -11.156 -6.456 1.00 1.12 H new ATOM 0 HB2 GLU A 86 6.410 -8.363 -5.839 1.00 1.04 H new ATOM 0 HB3 GLU A 86 5.864 -9.508 -4.630 1.00 1.04 H new ATOM 0 HG2 GLU A 86 8.165 -10.444 -4.486 1.00 1.04 H new ATOM 0 HG3 GLU A 86 8.707 -9.284 -5.683 1.00 1.04 H new ATOM 1410 N LEU A 87 4.051 -10.807 -7.252 1.00 1.19 N ATOM 1411 CA LEU A 87 2.842 -11.621 -7.354 1.00 1.27 C ATOM 1412 C LEU A 87 3.218 -12.983 -7.923 1.00 1.27 C ATOM 1413 O LEU A 87 2.415 -13.914 -7.967 1.00 1.30 O ATOM 1414 CB LEU A 87 1.775 -10.923 -8.212 1.00 1.38 C ATOM 1415 CG LEU A 87 2.277 -10.246 -9.498 1.00 1.41 C ATOM 1416 CD1 LEU A 87 2.705 -11.270 -10.541 1.00 1.84 C ATOM 1417 CD2 LEU A 87 1.206 -9.328 -10.062 1.00 1.96 C ATOM 0 H LEU A 87 4.106 -10.036 -7.917 1.00 1.19 H new ATOM 0 HA LEU A 87 2.406 -11.756 -6.364 1.00 1.27 H new ATOM 0 HB2 LEU A 87 1.019 -11.659 -8.485 1.00 1.38 H new ATOM 0 HB3 LEU A 87 1.280 -10.170 -7.599 1.00 1.38 H new ATOM 0 HG LEU A 87 3.154 -9.652 -9.241 1.00 1.41 H new ATOM 0 HD11 LEU A 87 3.054 -10.754 -11.436 1.00 1.84 H new ATOM 0 HD12 LEU A 87 3.511 -11.884 -10.139 1.00 1.84 H new ATOM 0 HD13 LEU A 87 1.857 -11.906 -10.796 1.00 1.84 H new ATOM 0 HD21 LEU A 87 1.575 -8.855 -10.972 1.00 1.96 H new ATOM 0 HD22 LEU A 87 0.313 -9.909 -10.291 1.00 1.96 H new ATOM 0 HD23 LEU A 87 0.961 -8.560 -9.328 1.00 1.96 H new ATOM 1429 N ASP A 88 4.457 -13.061 -8.379 1.00 1.29 N ATOM 1430 CA ASP A 88 5.074 -14.310 -8.773 1.00 1.35 C ATOM 1431 C ASP A 88 5.916 -14.854 -7.617 1.00 1.29 C ATOM 1432 O ASP A 88 5.638 -15.922 -7.082 1.00 1.39 O ATOM 1433 CB ASP A 88 5.941 -14.081 -10.018 1.00 1.38 C ATOM 1434 CG ASP A 88 6.852 -15.248 -10.349 1.00 1.49 C ATOM 1435 OD1 ASP A 88 7.977 -15.299 -9.813 1.00 1.54 O ATOM 1436 OD2 ASP A 88 6.461 -16.099 -11.176 1.00 1.59 O ATOM 0 H ASP A 88 5.066 -12.250 -8.486 1.00 1.29 H new ATOM 0 HA ASP A 88 4.304 -15.043 -9.014 1.00 1.35 H new ATOM 0 HB2 ASP A 88 5.292 -13.885 -10.871 1.00 1.38 H new ATOM 0 HB3 ASP A 88 6.548 -13.188 -9.868 1.00 1.38 H new ATOM 1441 N MET A 89 6.914 -14.080 -7.202 1.00 1.17 N ATOM 1442 CA MET A 89 7.865 -14.533 -6.189 1.00 1.16 C ATOM 1443 C MET A 89 7.302 -14.446 -4.767 1.00 1.14 C ATOM 1444 O MET A 89 7.261 -15.442 -4.052 1.00 1.25 O ATOM 1445 CB MET A 89 9.149 -13.709 -6.290 1.00 1.11 C ATOM 1446 CG MET A 89 10.215 -14.102 -5.279 1.00 1.13 C ATOM 1447 SD MET A 89 11.723 -13.126 -5.446 1.00 1.46 S ATOM 1448 CE MET A 89 11.108 -11.473 -5.122 1.00 2.17 C ATOM 0 H MET A 89 7.086 -13.137 -7.550 1.00 1.17 H new ATOM 0 HA MET A 89 8.072 -15.585 -6.385 1.00 1.16 H new ATOM 0 HB2 MET A 89 9.559 -13.814 -7.295 1.00 1.11 H new ATOM 0 HB3 MET A 89 8.905 -12.655 -6.154 1.00 1.11 H new ATOM 0 HG2 MET A 89 9.817 -13.980 -4.271 1.00 1.13 H new ATOM 0 HG3 MET A 89 10.455 -15.158 -5.401 1.00 1.13 H new ATOM 0 HE1 MET A 89 11.093 -10.902 -6.050 1.00 2.17 H new ATOM 0 HE2 MET A 89 10.098 -11.534 -4.717 1.00 2.17 H new ATOM 0 HE3 MET A 89 11.759 -10.977 -4.402 1.00 2.17 H new ATOM 1458 N ALA A 90 6.842 -13.266 -4.368 1.00 1.06 N ATOM 1459 CA ALA A 90 6.392 -13.040 -2.994 1.00 1.05 C ATOM 1460 C ALA A 90 5.125 -13.820 -2.680 1.00 1.12 C ATOM 1461 O ALA A 90 4.939 -14.298 -1.558 1.00 1.17 O ATOM 1462 CB ALA A 90 6.159 -11.559 -2.752 1.00 0.99 C ATOM 0 H ALA A 90 6.770 -12.449 -4.974 1.00 1.06 H new ATOM 0 HA ALA A 90 7.179 -13.397 -2.330 1.00 1.05 H new ATOM 0 HB1 ALA A 90 5.825 -11.406 -1.726 1.00 0.99 H new ATOM 0 HB2 ALA A 90 7.088 -11.013 -2.916 1.00 0.99 H new ATOM 0 HB3 ALA A 90 5.397 -11.193 -3.440 1.00 0.99 H new ATOM 1468 N GLN A 91 4.251 -13.934 -3.669 1.00 1.19 N ATOM 1469 CA GLN A 91 3.002 -14.658 -3.497 1.00 1.31 C ATOM 1470 C GLN A 91 3.262 -16.143 -3.240 1.00 1.46 C ATOM 1471 O GLN A 91 2.825 -16.680 -2.225 1.00 1.51 O ATOM 1472 CB GLN A 91 2.077 -14.437 -4.707 1.00 1.40 C ATOM 1473 CG GLN A 91 1.450 -15.711 -5.256 1.00 1.68 C ATOM 1474 CD GLN A 91 0.282 -15.442 -6.183 1.00 1.84 C ATOM 1475 OE1 GLN A 91 0.036 -16.194 -7.128 1.00 2.24 O ATOM 1476 NE2 GLN A 91 -0.452 -14.374 -5.912 1.00 2.42 N ATOM 0 H GLN A 91 4.384 -13.534 -4.598 1.00 1.19 H new ATOM 0 HA GLN A 91 2.491 -14.265 -2.618 1.00 1.31 H new ATOM 0 HB2 GLN A 91 1.282 -13.749 -4.421 1.00 1.40 H new ATOM 0 HB3 GLN A 91 2.646 -13.954 -5.501 1.00 1.40 H new ATOM 0 HG2 GLN A 91 2.209 -16.281 -5.792 1.00 1.68 H new ATOM 0 HG3 GLN A 91 1.113 -16.331 -4.425 1.00 1.68 H new ATOM 0 HE21 GLN A 91 -0.213 -13.778 -5.119 1.00 2.42 H new ATOM 0 HE22 GLN A 91 -1.257 -14.147 -6.496 1.00 2.42 H new ATOM 1485 N GLU A 92 4.005 -16.788 -4.139 1.00 1.57 N ATOM 1486 CA GLU A 92 4.306 -18.210 -4.002 1.00 1.80 C ATOM 1487 C GLU A 92 5.241 -18.460 -2.825 1.00 1.83 C ATOM 1488 O GLU A 92 5.304 -19.570 -2.292 1.00 2.04 O ATOM 1489 CB GLU A 92 4.923 -18.754 -5.291 1.00 1.91 C ATOM 1490 CG GLU A 92 4.017 -18.606 -6.503 1.00 1.96 C ATOM 1491 CD GLU A 92 4.611 -19.206 -7.763 1.00 2.13 C ATOM 1492 OE1 GLU A 92 4.382 -20.406 -8.026 1.00 2.44 O ATOM 1493 OE2 GLU A 92 5.303 -18.483 -8.503 1.00 2.12 O ATOM 0 H GLU A 92 4.408 -16.349 -4.967 1.00 1.57 H new ATOM 0 HA GLU A 92 3.370 -18.734 -3.812 1.00 1.80 H new ATOM 0 HB2 GLU A 92 5.862 -18.235 -5.483 1.00 1.91 H new ATOM 0 HB3 GLU A 92 5.164 -19.808 -5.153 1.00 1.91 H new ATOM 0 HG2 GLU A 92 3.060 -19.085 -6.295 1.00 1.96 H new ATOM 0 HG3 GLU A 92 3.814 -17.548 -6.671 1.00 1.96 H new ATOM 1500 N SER A 93 5.969 -17.427 -2.425 1.00 1.66 N ATOM 1501 CA SER A 93 6.855 -17.516 -1.276 1.00 1.77 C ATOM 1502 C SER A 93 6.055 -17.681 0.017 1.00 1.87 C ATOM 1503 O SER A 93 6.490 -18.377 0.936 1.00 2.13 O ATOM 1504 CB SER A 93 7.744 -16.270 -1.197 1.00 1.65 C ATOM 1505 OG SER A 93 8.708 -16.378 -0.162 1.00 1.98 O ATOM 0 H SER A 93 5.962 -16.515 -2.882 1.00 1.66 H new ATOM 0 HA SER A 93 7.488 -18.395 -1.398 1.00 1.77 H new ATOM 0 HB2 SER A 93 8.250 -16.123 -2.151 1.00 1.65 H new ATOM 0 HB3 SER A 93 7.123 -15.390 -1.026 1.00 1.65 H new ATOM 0 HG SER A 93 9.563 -16.012 -0.471 1.00 1.98 H new ATOM 1511 N LYS A 94 4.873 -17.074 0.076 1.00 1.73 N ATOM 1512 CA LYS A 94 4.069 -17.131 1.287 1.00 1.84 C ATOM 1513 C LYS A 94 2.582 -17.269 0.988 1.00 1.75 C ATOM 1514 O LYS A 94 2.033 -18.368 1.039 1.00 2.05 O ATOM 1515 CB LYS A 94 4.318 -15.907 2.171 1.00 1.74 C ATOM 1516 CG LYS A 94 3.569 -15.960 3.497 1.00 2.03 C ATOM 1517 CD LYS A 94 3.800 -17.276 4.228 1.00 2.19 C ATOM 1518 CE LYS A 94 2.884 -17.412 5.435 1.00 2.42 C ATOM 1519 NZ LYS A 94 3.009 -18.742 6.082 1.00 2.66 N ATOM 0 H LYS A 94 4.457 -16.545 -0.690 1.00 1.73 H new ATOM 0 HA LYS A 94 4.381 -18.026 1.826 1.00 1.84 H new ATOM 0 HB2 LYS A 94 5.387 -15.821 2.368 1.00 1.74 H new ATOM 0 HB3 LYS A 94 4.021 -15.009 1.629 1.00 1.74 H new ATOM 0 HG2 LYS A 94 3.891 -15.132 4.129 1.00 2.03 H new ATOM 0 HG3 LYS A 94 2.502 -15.827 3.317 1.00 2.03 H new ATOM 0 HD2 LYS A 94 3.629 -18.108 3.545 1.00 2.19 H new ATOM 0 HD3 LYS A 94 4.840 -17.337 4.550 1.00 2.19 H new ATOM 0 HE2 LYS A 94 3.121 -16.633 6.159 1.00 2.42 H new ATOM 0 HE3 LYS A 94 1.851 -17.255 5.125 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 2.368 -18.792 6.899 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 2.758 -19.485 5.399 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 3.989 -18.882 6.401 1.00 2.66 H new ATOM 1533 N GLU A 95 1.930 -16.156 0.687 1.00 1.51 N ATOM 1534 CA GLU A 95 0.475 -16.153 0.576 1.00 1.57 C ATOM 1535 C GLU A 95 -0.024 -15.334 -0.617 1.00 1.40 C ATOM 1536 O GLU A 95 -0.281 -15.881 -1.687 1.00 1.80 O ATOM 1537 CB GLU A 95 -0.131 -15.619 1.878 1.00 1.57 C ATOM 1538 CG GLU A 95 -1.650 -15.619 1.913 1.00 1.70 C ATOM 1539 CD GLU A 95 -2.191 -14.906 3.135 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -1.761 -13.759 3.384 1.00 3.16 O ATOM 1541 OE2 GLU A 95 -3.035 -15.484 3.847 1.00 2.68 O ATOM 0 H GLU A 95 2.375 -15.254 0.517 1.00 1.51 H new ATOM 0 HA GLU A 95 0.154 -17.181 0.405 1.00 1.57 H new ATOM 0 HB2 GLU A 95 0.239 -16.220 2.709 1.00 1.57 H new ATOM 0 HB3 GLU A 95 0.223 -14.601 2.038 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -2.033 -15.137 1.013 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -2.013 -16.647 1.903 1.00 1.70 H new ATOM 1548 N LEU A 96 -0.153 -14.021 -0.433 1.00 1.13 N ATOM 1549 CA LEU A 96 -0.808 -13.179 -1.414 1.00 1.44 C ATOM 1550 C LEU A 96 0.185 -12.485 -2.339 1.00 1.40 C ATOM 1551 O LEU A 96 -0.043 -12.390 -3.541 1.00 1.87 O ATOM 1552 CB LEU A 96 -1.630 -12.137 -0.670 1.00 1.74 C ATOM 1553 CG LEU A 96 -2.877 -12.667 0.043 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -3.597 -11.542 0.767 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -3.813 -13.344 -0.945 1.00 3.10 C ATOM 0 H LEU A 96 0.190 -13.524 0.389 1.00 1.13 H new ATOM 0 HA LEU A 96 -1.440 -13.807 -2.042 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -0.989 -11.653 0.067 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -1.937 -11.368 -1.379 1.00 1.74 H new ATOM 0 HG LEU A 96 -2.560 -13.406 0.779 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -4.480 -11.938 1.268 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -2.929 -11.099 1.506 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -3.898 -10.781 0.048 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -4.693 -13.714 -0.418 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -4.120 -12.626 -1.705 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -3.298 -14.178 -1.421 1.00 3.10 H new ATOM 1567 N GLY A 97 1.288 -12.014 -1.772 1.00 1.08 N ATOM 1568 CA GLY A 97 2.291 -11.309 -2.560 1.00 1.10 C ATOM 1569 C GLY A 97 1.845 -9.912 -2.979 1.00 1.06 C ATOM 1570 O GLY A 97 2.349 -9.370 -3.960 1.00 1.72 O ATOM 0 H GLY A 97 1.510 -12.106 -0.781 1.00 1.08 H new ATOM 0 HA2 GLY A 97 3.212 -11.232 -1.982 1.00 1.10 H new ATOM 0 HA3 GLY A 97 2.522 -11.893 -3.451 1.00 1.10 H new ATOM 1574 N ALA A 98 0.883 -9.355 -2.230 1.00 0.73 N ATOM 1575 CA ALA A 98 0.388 -7.984 -2.428 1.00 0.65 C ATOM 1576 C ALA A 98 -0.530 -7.856 -3.654 1.00 0.67 C ATOM 1577 O ALA A 98 -0.391 -8.586 -4.632 1.00 0.82 O ATOM 1578 CB ALA A 98 1.542 -6.989 -2.496 1.00 0.85 C ATOM 0 H ALA A 98 0.423 -9.846 -1.464 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.222 -7.742 -1.557 1.00 0.65 H new ATOM 0 HB1 ALA A 98 1.147 -5.984 -2.643 1.00 0.85 H new ATOM 0 HB2 ALA A 98 2.108 -7.024 -1.565 1.00 0.85 H new ATOM 0 HB3 ALA A 98 2.196 -7.247 -3.329 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.484 -6.929 -3.573 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.495 -6.767 -4.615 1.00 0.66 C ATOM 1586 C LEU A 99 -2.061 -5.793 -5.710 1.00 0.69 C ATOM 1587 O LEU A 99 -1.381 -6.180 -6.669 1.00 1.35 O ATOM 1588 CB LEU A 99 -3.827 -6.312 -4.016 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.568 -7.365 -3.189 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.907 -6.820 -2.718 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -4.763 -8.641 -3.995 1.00 1.05 C ATOM 0 H LEU A 99 -1.577 -6.277 -2.794 1.00 0.60 H new ATOM 0 HA LEU A 99 -2.620 -7.746 -5.077 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.644 -5.442 -3.385 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -4.479 -5.987 -4.827 1.00 0.68 H new ATOM 0 HG LEU A 99 -3.964 -7.605 -2.314 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -6.423 -7.580 -2.131 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -5.744 -5.935 -2.103 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -6.516 -6.554 -3.582 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -5.292 -9.377 -3.389 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -5.346 -8.421 -4.889 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -3.791 -9.040 -4.285 1.00 1.05 H new ATOM 1603 N THR A 100 -2.465 -4.532 -5.568 1.00 0.95 N ATOM 1604 CA THR A 100 -2.152 -3.512 -6.555 1.00 1.06 C ATOM 1605 C THR A 100 -0.651 -3.322 -6.639 1.00 0.67 C ATOM 1606 O THR A 100 0.019 -3.157 -5.622 1.00 0.60 O ATOM 1607 CB THR A 100 -2.836 -2.177 -6.218 1.00 1.56 C ATOM 1608 OG1 THR A 100 -4.239 -2.395 -6.041 1.00 2.07 O ATOM 1609 CG2 THR A 100 -2.620 -1.150 -7.320 1.00 2.16 C ATOM 0 H THR A 100 -3.011 -4.196 -4.775 1.00 0.95 H new ATOM 0 HA THR A 100 -2.531 -3.847 -7.521 1.00 1.06 H new ATOM 0 HB THR A 100 -2.395 -1.790 -5.300 1.00 1.56 H new ATOM 0 HG1 THR A 100 -4.634 -1.625 -5.582 1.00 2.07 H new ATOM 0 HG21 THR A 100 -3.116 -0.218 -7.051 1.00 2.16 H new ATOM 0 HG22 THR A 100 -1.552 -0.970 -7.445 1.00 2.16 H new ATOM 0 HG23 THR A 100 -3.037 -1.526 -8.254 1.00 2.16 H new ATOM 1617 N HIS A 101 -0.124 -3.352 -7.849 1.00 0.68 N ATOM 1618 CA HIS A 101 1.311 -3.422 -8.031 1.00 0.87 C ATOM 1619 C HIS A 101 1.842 -2.365 -8.972 1.00 0.71 C ATOM 1620 O HIS A 101 1.154 -1.911 -9.885 1.00 1.08 O ATOM 1621 CB HIS A 101 1.724 -4.800 -8.536 1.00 1.65 C ATOM 1622 CG HIS A 101 0.850 -5.324 -9.639 1.00 2.50 C ATOM 1623 ND1 HIS A 101 -0.313 -6.030 -9.405 1.00 3.21 N ATOM 1624 CD2 HIS A 101 0.962 -5.227 -10.983 1.00 3.16 C ATOM 1625 CE1 HIS A 101 -0.874 -6.341 -10.559 1.00 3.89 C ATOM 1626 NE2 HIS A 101 -0.120 -5.864 -11.533 1.00 3.83 N ATOM 0 H HIS A 101 -0.665 -3.329 -8.714 1.00 0.68 H new ATOM 0 HA HIS A 101 1.748 -3.237 -7.050 1.00 0.87 H new ATOM 0 HB2 HIS A 101 2.754 -4.754 -8.891 1.00 1.65 H new ATOM 0 HB3 HIS A 101 1.705 -5.503 -7.704 1.00 1.65 H new ATOM 0 HD1 HIS A 101 -0.681 -6.273 -8.485 1.00 3.21 H new ATOM 0 HD2 HIS A 101 1.758 -4.737 -11.524 1.00 3.16 H new ATOM 0 HE1 HIS A 101 -1.794 -6.892 -10.685 1.00 3.89 H new ATOM 1635 N PHE A 102 3.100 -2.037 -8.740 1.00 0.78 N ATOM 1636 CA PHE A 102 3.849 -1.037 -9.493 1.00 0.90 C ATOM 1637 C PHE A 102 5.329 -1.346 -9.330 1.00 0.85 C ATOM 1638 O PHE A 102 5.782 -1.586 -8.217 1.00 0.97 O ATOM 1639 CB PHE A 102 3.582 0.388 -8.976 1.00 1.33 C ATOM 1640 CG PHE A 102 2.166 0.867 -9.146 1.00 1.91 C ATOM 1641 CD1 PHE A 102 1.707 1.283 -10.384 1.00 2.47 C ATOM 1642 CD2 PHE A 102 1.300 0.908 -8.064 1.00 2.71 C ATOM 1643 CE1 PHE A 102 0.408 1.731 -10.542 1.00 3.31 C ATOM 1644 CE2 PHE A 102 0.002 1.353 -8.216 1.00 3.59 C ATOM 1645 CZ PHE A 102 -0.445 1.764 -9.456 1.00 3.75 C ATOM 0 H PHE A 102 3.650 -2.471 -7.999 1.00 0.78 H new ATOM 0 HA PHE A 102 3.537 -1.077 -10.537 1.00 0.90 H new ATOM 0 HB2 PHE A 102 3.840 0.429 -7.918 1.00 1.33 H new ATOM 0 HB3 PHE A 102 4.248 1.078 -9.494 1.00 1.33 H new ATOM 0 HD1 PHE A 102 2.370 1.257 -11.236 1.00 2.47 H new ATOM 0 HD2 PHE A 102 1.645 0.588 -7.092 1.00 2.71 H new ATOM 0 HE1 PHE A 102 0.061 2.054 -11.512 1.00 3.31 H new ATOM 0 HE2 PHE A 102 -0.663 1.380 -7.366 1.00 3.59 H new ATOM 0 HZ PHE A 102 -1.461 2.111 -9.577 1.00 3.75 H new ATOM 1655 N ALA A 103 6.076 -1.356 -10.423 1.00 0.85 N ATOM 1656 CA ALA A 103 7.495 -1.691 -10.378 1.00 0.92 C ATOM 1657 C ALA A 103 8.345 -0.469 -10.068 1.00 1.01 C ATOM 1658 O ALA A 103 9.554 -0.579 -9.845 1.00 1.27 O ATOM 1659 CB ALA A 103 7.925 -2.290 -11.704 1.00 1.00 C ATOM 0 H ALA A 103 5.724 -1.136 -11.355 1.00 0.85 H new ATOM 0 HA ALA A 103 7.643 -2.418 -9.580 1.00 0.92 H new ATOM 0 HB1 ALA A 103 8.986 -2.538 -11.664 1.00 1.00 H new ATOM 0 HB2 ALA A 103 7.348 -3.194 -11.899 1.00 1.00 H new ATOM 0 HB3 ALA A 103 7.751 -1.569 -12.503 1.00 1.00 H new ATOM 1665 N LYS A 104 7.715 0.694 -10.059 1.00 1.13 N ATOM 1666 CA LYS A 104 8.437 1.945 -9.906 1.00 1.45 C ATOM 1667 C LYS A 104 7.758 2.839 -8.883 1.00 1.54 C ATOM 1668 O LYS A 104 6.530 2.946 -8.865 1.00 1.48 O ATOM 1669 CB LYS A 104 8.489 2.696 -11.241 1.00 1.74 C ATOM 1670 CG LYS A 104 8.909 1.841 -12.423 1.00 1.85 C ATOM 1671 CD LYS A 104 8.919 2.645 -13.710 1.00 2.35 C ATOM 1672 CE LYS A 104 10.049 3.662 -13.730 1.00 2.97 C ATOM 1673 NZ LYS A 104 11.383 3.008 -13.669 1.00 3.84 N ATOM 0 H LYS A 104 6.705 0.797 -10.156 1.00 1.13 H new ATOM 0 HA LYS A 104 9.446 1.704 -9.570 1.00 1.45 H new ATOM 0 HB2 LYS A 104 7.505 3.119 -11.445 1.00 1.74 H new ATOM 0 HB3 LYS A 104 9.182 3.532 -11.148 1.00 1.74 H new ATOM 0 HG2 LYS A 104 9.902 1.429 -12.242 1.00 1.85 H new ATOM 0 HG3 LYS A 104 8.227 0.997 -12.524 1.00 1.85 H new ATOM 0 HD2 LYS A 104 9.022 1.970 -14.560 1.00 2.35 H new ATOM 0 HD3 LYS A 104 7.965 3.159 -13.825 1.00 2.35 H new ATOM 0 HE2 LYS A 104 9.980 4.263 -14.636 1.00 2.97 H new ATOM 0 HE3 LYS A 104 9.940 4.343 -12.886 1.00 2.97 H new ATOM 0 HZ1 LYS A 104 12.113 3.678 -13.986 1.00 3.84 H new ATOM 0 HZ2 LYS A 104 11.582 2.716 -12.691 1.00 3.84 H new ATOM 0 HZ3 LYS A 104 11.388 2.172 -14.288 1.00 3.84 H new ATOM 1687 N PRO A 105 8.540 3.490 -8.012 1.00 2.04 N ATOM 1688 CA PRO A 105 8.030 4.567 -7.179 1.00 2.24 C ATOM 1689 C PRO A 105 7.761 5.778 -8.052 1.00 2.07 C ATOM 1690 O PRO A 105 8.674 6.533 -8.396 1.00 2.65 O ATOM 1691 CB PRO A 105 9.158 4.845 -6.174 1.00 3.14 C ATOM 1692 CG PRO A 105 10.141 3.732 -6.357 1.00 3.33 C ATOM 1693 CD PRO A 105 9.962 3.238 -7.765 1.00 2.66 C ATOM 0 HA PRO A 105 7.097 4.322 -6.671 1.00 2.24 H new ATOM 0 HB2 PRO A 105 9.622 5.813 -6.363 1.00 3.14 H new ATOM 0 HB3 PRO A 105 8.777 4.868 -5.153 1.00 3.14 H new ATOM 0 HG2 PRO A 105 11.160 4.083 -6.195 1.00 3.33 H new ATOM 0 HG3 PRO A 105 9.961 2.932 -5.639 1.00 3.33 H new ATOM 0 HD2 PRO A 105 10.598 3.777 -8.468 1.00 2.66 H new ATOM 0 HD3 PRO A 105 10.209 2.180 -7.858 1.00 2.66 H new ATOM 1701 N PHE A 106 6.512 5.922 -8.448 1.00 1.61 N ATOM 1702 CA PHE A 106 6.145 6.900 -9.449 1.00 1.78 C ATOM 1703 C PHE A 106 5.574 8.160 -8.807 1.00 1.59 C ATOM 1704 O PHE A 106 5.311 8.192 -7.603 1.00 2.24 O ATOM 1705 CB PHE A 106 5.133 6.280 -10.426 1.00 2.13 C ATOM 1706 CG PHE A 106 4.892 7.099 -11.665 1.00 2.84 C ATOM 1707 CD1 PHE A 106 5.777 7.046 -12.727 1.00 3.75 C ATOM 1708 CD2 PHE A 106 3.787 7.927 -11.758 1.00 2.94 C ATOM 1709 CE1 PHE A 106 5.561 7.804 -13.861 1.00 4.83 C ATOM 1710 CE2 PHE A 106 3.565 8.686 -12.886 1.00 4.02 C ATOM 1711 CZ PHE A 106 4.455 8.627 -13.940 1.00 5.00 C ATOM 0 H PHE A 106 5.732 5.371 -8.089 1.00 1.61 H new ATOM 0 HA PHE A 106 7.041 7.191 -9.998 1.00 1.78 H new ATOM 0 HB2 PHE A 106 5.487 5.292 -10.720 1.00 2.13 H new ATOM 0 HB3 PHE A 106 4.185 6.138 -9.908 1.00 2.13 H new ATOM 0 HD1 PHE A 106 6.645 6.406 -12.669 1.00 3.75 H new ATOM 0 HD2 PHE A 106 3.089 7.979 -10.935 1.00 2.94 H new ATOM 0 HE1 PHE A 106 6.257 7.753 -14.686 1.00 4.83 H new ATOM 0 HE2 PHE A 106 2.697 9.326 -12.946 1.00 4.02 H new ATOM 0 HZ PHE A 106 4.286 9.223 -14.824 1.00 5.00 H new ATOM 1721 N ASP A 107 5.414 9.189 -9.628 1.00 1.39 N ATOM 1722 CA ASP A 107 4.790 10.438 -9.225 1.00 1.24 C ATOM 1723 C ASP A 107 3.457 10.173 -8.532 1.00 1.07 C ATOM 1724 O ASP A 107 2.657 9.347 -8.978 1.00 1.07 O ATOM 1725 CB ASP A 107 4.578 11.336 -10.445 1.00 1.39 C ATOM 1726 CG ASP A 107 4.111 12.724 -10.070 1.00 1.56 C ATOM 1727 OD1 ASP A 107 2.939 12.873 -9.669 1.00 1.95 O ATOM 1728 OD2 ASP A 107 4.913 13.673 -10.187 1.00 1.73 O ATOM 0 H ASP A 107 5.717 9.178 -10.602 1.00 1.39 H new ATOM 0 HA ASP A 107 5.451 10.944 -8.521 1.00 1.24 H new ATOM 0 HB2 ASP A 107 5.511 11.409 -11.004 1.00 1.39 H new ATOM 0 HB3 ASP A 107 3.844 10.876 -11.107 1.00 1.39 H new ATOM 1733 N ILE A 108 3.231 10.900 -7.454 1.00 1.00 N ATOM 1734 CA ILE A 108 2.103 10.664 -6.559 1.00 0.93 C ATOM 1735 C ILE A 108 0.758 10.871 -7.245 1.00 0.89 C ATOM 1736 O ILE A 108 -0.248 10.344 -6.783 1.00 0.79 O ATOM 1737 CB ILE A 108 2.179 11.557 -5.300 1.00 1.00 C ATOM 1738 CG1 ILE A 108 1.856 13.030 -5.616 1.00 0.97 C ATOM 1739 CG2 ILE A 108 3.558 11.433 -4.669 1.00 1.25 C ATOM 1740 CD1 ILE A 108 2.897 13.746 -6.452 1.00 1.29 C ATOM 0 H ILE A 108 3.826 11.677 -7.169 1.00 1.00 H new ATOM 0 HA ILE A 108 2.175 9.618 -6.262 1.00 0.93 H new ATOM 0 HB ILE A 108 1.424 11.211 -4.594 1.00 1.00 H new ATOM 0 HG12 ILE A 108 0.900 13.073 -6.137 1.00 0.97 H new ATOM 0 HG13 ILE A 108 1.732 13.569 -4.677 1.00 0.97 H new ATOM 0 HG21 ILE A 108 3.610 12.063 -3.781 1.00 1.25 H new ATOM 0 HG22 ILE A 108 3.738 10.395 -4.388 1.00 1.25 H new ATOM 0 HG23 ILE A 108 4.316 11.751 -5.385 1.00 1.25 H new ATOM 0 HD11 ILE A 108 2.582 14.776 -6.622 1.00 1.29 H new ATOM 0 HD12 ILE A 108 3.852 13.741 -5.927 1.00 1.29 H new ATOM 0 HD13 ILE A 108 3.007 13.237 -7.410 1.00 1.29 H new ATOM 1752 N ASP A 109 0.734 11.619 -8.343 1.00 1.01 N ATOM 1753 CA ASP A 109 -0.506 11.850 -9.076 1.00 1.07 C ATOM 1754 C ASP A 109 -1.119 10.521 -9.501 1.00 1.02 C ATOM 1755 O ASP A 109 -2.312 10.273 -9.315 1.00 1.00 O ATOM 1756 CB ASP A 109 -0.237 12.707 -10.307 1.00 1.27 C ATOM 1757 CG ASP A 109 -1.498 13.352 -10.856 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -2.367 12.625 -11.375 1.00 1.92 O ATOM 1759 OD2 ASP A 109 -1.622 14.593 -10.765 1.00 1.84 O ATOM 0 H ASP A 109 1.554 12.074 -8.744 1.00 1.01 H new ATOM 0 HA ASP A 109 -1.204 12.373 -8.423 1.00 1.07 H new ATOM 0 HB2 ASP A 109 0.484 13.484 -10.054 1.00 1.27 H new ATOM 0 HB3 ASP A 109 0.218 12.091 -11.082 1.00 1.27 H new ATOM 1764 N GLU A 110 -0.284 9.658 -10.051 1.00 1.04 N ATOM 1765 CA GLU A 110 -0.713 8.328 -10.451 1.00 1.04 C ATOM 1766 C GLU A 110 -1.028 7.468 -9.223 1.00 0.93 C ATOM 1767 O GLU A 110 -1.811 6.524 -9.303 1.00 0.95 O ATOM 1768 CB GLU A 110 0.366 7.670 -11.314 1.00 1.14 C ATOM 1769 CG GLU A 110 -0.013 6.293 -11.835 1.00 1.12 C ATOM 1770 CD GLU A 110 0.976 5.755 -12.848 1.00 1.57 C ATOM 1771 OE1 GLU A 110 1.981 5.137 -12.443 1.00 2.07 O ATOM 1772 OE2 GLU A 110 0.751 5.946 -14.062 1.00 2.06 O ATOM 0 H GLU A 110 0.700 9.855 -10.232 1.00 1.04 H new ATOM 0 HA GLU A 110 -1.626 8.416 -11.040 1.00 1.04 H new ATOM 0 HB2 GLU A 110 0.585 8.320 -12.161 1.00 1.14 H new ATOM 0 HB3 GLU A 110 1.283 7.587 -10.730 1.00 1.14 H new ATOM 0 HG2 GLU A 110 -0.082 5.599 -10.997 1.00 1.12 H new ATOM 0 HG3 GLU A 110 -1.002 6.342 -12.290 1.00 1.12 H new ATOM 1779 N ILE A 111 -0.443 7.820 -8.080 1.00 0.83 N ATOM 1780 CA ILE A 111 -0.650 7.061 -6.852 1.00 0.75 C ATOM 1781 C ILE A 111 -2.011 7.386 -6.254 1.00 0.70 C ATOM 1782 O ILE A 111 -2.782 6.485 -5.945 1.00 0.71 O ATOM 1783 CB ILE A 111 0.485 7.318 -5.822 1.00 0.76 C ATOM 1784 CG1 ILE A 111 1.653 6.357 -6.064 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -0.016 7.175 -4.390 1.00 0.75 C ATOM 1786 CD1 ILE A 111 2.231 6.426 -7.459 1.00 1.61 C ATOM 0 H ILE A 111 0.176 8.624 -7.980 1.00 0.83 H new ATOM 0 HA ILE A 111 -0.624 6.001 -7.104 1.00 0.75 H new ATOM 0 HB ILE A 111 0.828 8.343 -5.960 1.00 0.76 H new ATOM 0 HG12 ILE A 111 2.442 6.573 -5.344 1.00 1.24 H new ATOM 0 HG13 ILE A 111 1.317 5.338 -5.872 1.00 1.24 H new ATOM 0 HG21 ILE A 111 0.805 7.362 -3.697 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -0.814 7.895 -4.210 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -0.398 6.165 -4.237 1.00 0.75 H new ATOM 0 HD11 ILE A 111 3.053 5.715 -7.548 1.00 1.61 H new ATOM 0 HD12 ILE A 111 1.457 6.179 -8.186 1.00 1.61 H new ATOM 0 HD13 ILE A 111 2.600 7.433 -7.650 1.00 1.61 H new ATOM 1798 N ARG A 112 -2.315 8.674 -6.124 1.00 0.72 N ATOM 1799 CA ARG A 112 -3.612 9.107 -5.619 1.00 0.75 C ATOM 1800 C ARG A 112 -4.719 8.617 -6.549 1.00 0.81 C ATOM 1801 O ARG A 112 -5.800 8.219 -6.104 1.00 0.85 O ATOM 1802 CB ARG A 112 -3.654 10.637 -5.467 1.00 0.85 C ATOM 1803 CG ARG A 112 -3.296 11.398 -6.730 1.00 1.09 C ATOM 1804 CD ARG A 112 -3.070 12.872 -6.448 1.00 1.50 C ATOM 1805 NE ARG A 112 -4.315 13.589 -6.180 1.00 1.51 N ATOM 1806 CZ ARG A 112 -4.684 14.694 -6.829 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -3.916 15.185 -7.797 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -5.816 15.301 -6.511 1.00 2.25 N ATOM 0 H ARG A 112 -1.680 9.436 -6.362 1.00 0.72 H new ATOM 0 HA ARG A 112 -3.770 8.673 -4.632 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -4.654 10.932 -5.150 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -2.968 10.931 -4.673 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -2.396 10.969 -7.171 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -4.095 11.285 -7.462 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -2.403 12.977 -5.592 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -2.568 13.329 -7.301 1.00 1.50 H new ATOM 0 HE ARG A 112 -4.935 13.224 -5.457 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -3.044 14.716 -8.043 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -4.199 16.030 -8.293 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -6.406 14.924 -5.770 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -6.098 16.146 -7.007 1.00 2.25 H new ATOM 1822 N ASP A 113 -4.425 8.629 -7.847 1.00 0.86 N ATOM 1823 CA ASP A 113 -5.320 8.062 -8.844 1.00 0.94 C ATOM 1824 C ASP A 113 -5.503 6.570 -8.595 1.00 0.93 C ATOM 1825 O ASP A 113 -6.623 6.083 -8.520 1.00 0.98 O ATOM 1826 CB ASP A 113 -4.758 8.305 -10.245 1.00 1.05 C ATOM 1827 CG ASP A 113 -5.640 7.739 -11.339 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -6.644 8.392 -11.700 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -5.321 6.649 -11.858 1.00 1.23 O ATOM 0 H ASP A 113 -3.569 9.028 -8.231 1.00 0.86 H new ATOM 0 HA ASP A 113 -6.293 8.548 -8.768 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -4.636 9.377 -10.401 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -3.767 7.858 -10.316 1.00 1.05 H new ATOM 1834 N ALA A 114 -4.390 5.858 -8.431 1.00 0.92 N ATOM 1835 CA ALA A 114 -4.423 4.424 -8.163 1.00 0.95 C ATOM 1836 C ALA A 114 -5.213 4.118 -6.896 1.00 0.91 C ATOM 1837 O ALA A 114 -5.910 3.105 -6.822 1.00 0.95 O ATOM 1838 CB ALA A 114 -3.009 3.875 -8.050 1.00 1.03 C ATOM 0 H ALA A 114 -3.451 6.254 -8.480 1.00 0.92 H new ATOM 0 HA ALA A 114 -4.925 3.937 -8.999 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -3.049 2.804 -7.850 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -2.475 4.050 -8.984 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -2.488 4.377 -7.235 1.00 1.03 H new ATOM 1844 N VAL A 115 -5.108 4.998 -5.904 1.00 0.89 N ATOM 1845 CA VAL A 115 -5.865 4.851 -4.677 1.00 1.01 C ATOM 1846 C VAL A 115 -7.355 4.863 -4.986 1.00 1.06 C ATOM 1847 O VAL A 115 -8.091 3.958 -4.594 1.00 1.17 O ATOM 1848 CB VAL A 115 -5.560 5.975 -3.658 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -6.401 5.808 -2.403 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -4.082 6.012 -3.304 1.00 1.13 C ATOM 0 H VAL A 115 -4.504 5.819 -5.932 1.00 0.89 H new ATOM 0 HA VAL A 115 -5.570 3.901 -4.232 1.00 1.01 H new ATOM 0 HB VAL A 115 -5.819 6.925 -4.126 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -6.170 6.609 -1.701 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -7.458 5.849 -2.665 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -6.179 4.846 -1.942 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -3.900 6.812 -2.586 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -3.789 5.058 -2.866 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -3.496 6.193 -4.205 1.00 1.13 H new ATOM 1860 N LYS A 116 -7.788 5.885 -5.722 1.00 1.06 N ATOM 1861 CA LYS A 116 -9.199 6.036 -6.052 1.00 1.22 C ATOM 1862 C LYS A 116 -9.620 5.107 -7.194 1.00 1.24 C ATOM 1863 O LYS A 116 -10.794 5.055 -7.554 1.00 1.48 O ATOM 1864 CB LYS A 116 -9.532 7.493 -6.393 1.00 1.30 C ATOM 1865 CG LYS A 116 -8.784 8.041 -7.597 1.00 2.03 C ATOM 1866 CD LYS A 116 -9.192 9.475 -7.893 1.00 2.39 C ATOM 1867 CE LYS A 116 -10.673 9.566 -8.215 1.00 3.01 C ATOM 1868 NZ LYS A 116 -11.134 10.973 -8.321 1.00 3.72 N ATOM 0 H LYS A 116 -7.184 6.616 -6.098 1.00 1.06 H new ATOM 0 HA LYS A 116 -9.767 5.750 -5.167 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -10.603 7.575 -6.578 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -9.309 8.116 -5.527 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -7.711 7.996 -7.412 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -8.984 7.416 -8.468 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -8.964 10.106 -7.034 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -8.610 9.856 -8.732 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -10.873 9.048 -9.153 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -11.244 9.055 -7.440 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -12.150 10.990 -8.542 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -10.968 11.462 -7.418 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -10.607 11.455 -9.077 1.00 3.72 H new ATOM 1882 N LYS A 117 -8.664 4.392 -7.772 1.00 1.07 N ATOM 1883 CA LYS A 117 -8.982 3.364 -8.755 1.00 1.13 C ATOM 1884 C LYS A 117 -9.272 2.034 -8.065 1.00 1.02 C ATOM 1885 O LYS A 117 -10.198 1.314 -8.438 1.00 1.07 O ATOM 1886 CB LYS A 117 -7.828 3.162 -9.745 1.00 1.24 C ATOM 1887 CG LYS A 117 -7.587 4.325 -10.692 1.00 1.58 C ATOM 1888 CD LYS A 117 -8.777 4.579 -11.603 1.00 2.03 C ATOM 1889 CE LYS A 117 -8.459 5.670 -12.608 1.00 2.71 C ATOM 1890 NZ LYS A 117 -9.638 6.040 -13.433 1.00 3.47 N ATOM 0 H LYS A 117 -7.669 4.503 -7.579 1.00 1.07 H new ATOM 0 HA LYS A 117 -9.864 3.701 -9.299 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -6.914 2.976 -9.182 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -8.027 2.267 -10.335 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -7.376 5.224 -10.114 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -6.704 4.121 -11.298 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -9.043 3.661 -12.127 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -9.643 4.868 -11.007 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -8.097 6.552 -12.080 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -7.653 5.335 -13.261 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -9.371 6.788 -14.104 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -9.970 5.206 -13.958 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -10.400 6.385 -12.815 1.00 3.47 H new ATOM 1904 N TYR A 118 -8.475 1.722 -7.054 1.00 0.95 N ATOM 1905 CA TYR A 118 -8.513 0.412 -6.410 1.00 0.95 C ATOM 1906 C TYR A 118 -9.505 0.350 -5.249 1.00 1.19 C ATOM 1907 O TYR A 118 -10.097 -0.704 -4.997 1.00 1.58 O ATOM 1908 CB TYR A 118 -7.102 0.046 -5.927 1.00 1.75 C ATOM 1909 CG TYR A 118 -7.059 -1.056 -4.892 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -7.162 -2.395 -5.255 1.00 1.87 C ATOM 1911 CD2 TYR A 118 -6.917 -0.750 -3.546 1.00 2.44 C ATOM 1912 CE1 TYR A 118 -7.122 -3.396 -4.300 1.00 2.31 C ATOM 1913 CE2 TYR A 118 -6.880 -1.739 -2.590 1.00 2.86 C ATOM 1914 CZ TYR A 118 -6.981 -3.058 -2.971 1.00 2.77 C ATOM 1915 OH TYR A 118 -6.950 -4.041 -2.015 1.00 3.35 O ATOM 0 H TYR A 118 -7.788 2.363 -6.657 1.00 0.95 H new ATOM 0 HA TYR A 118 -8.859 -0.310 -7.150 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -6.505 -0.257 -6.787 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -6.632 0.937 -5.510 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -7.275 -2.657 -6.297 1.00 1.87 H new ATOM 0 HD2 TYR A 118 -6.834 0.283 -3.243 1.00 2.44 H new ATOM 0 HE1 TYR A 118 -7.201 -4.432 -4.593 1.00 2.31 H new ATOM 0 HE2 TYR A 118 -6.772 -1.482 -1.547 1.00 2.86 H new ATOM 0 HH TYR A 118 -7.864 -4.334 -1.818 1.00 3.35 H new ATOM 1925 N LEU A 119 -9.690 1.461 -4.544 1.00 1.95 N ATOM 1926 CA LEU A 119 -10.479 1.454 -3.313 1.00 3.13 C ATOM 1927 C LEU A 119 -11.947 1.058 -3.595 1.00 3.69 C ATOM 1928 O LEU A 119 -12.458 1.292 -4.690 1.00 4.16 O ATOM 1929 CB LEU A 119 -10.320 2.808 -2.567 1.00 3.96 C ATOM 1930 CG LEU A 119 -11.265 3.979 -2.913 1.00 4.75 C ATOM 1931 CD1 LEU A 119 -11.453 4.143 -4.412 1.00 5.37 C ATOM 1932 CD2 LEU A 119 -12.604 3.830 -2.200 1.00 5.51 C ATOM 0 H LEU A 119 -9.309 2.372 -4.799 1.00 1.95 H new ATOM 0 HA LEU A 119 -10.098 0.686 -2.639 1.00 3.13 H new ATOM 0 HB2 LEU A 119 -10.424 2.608 -1.501 1.00 3.96 H new ATOM 0 HB3 LEU A 119 -9.299 3.153 -2.729 1.00 3.96 H new ATOM 0 HG LEU A 119 -10.789 4.892 -2.554 1.00 4.75 H new ATOM 0 HD11 LEU A 119 -12.125 4.979 -4.605 1.00 5.37 H new ATOM 0 HD12 LEU A 119 -10.488 4.338 -4.881 1.00 5.37 H new ATOM 0 HD13 LEU A 119 -11.880 3.230 -4.827 1.00 5.37 H new ATOM 0 HD21 LEU A 119 -13.250 4.668 -2.461 1.00 5.51 H new ATOM 0 HD22 LEU A 119 -13.077 2.897 -2.506 1.00 5.51 H new ATOM 0 HD23 LEU A 119 -12.443 3.818 -1.122 1.00 5.51 H new ATOM 1944 N PRO A 120 -12.624 0.430 -2.608 1.00 4.08 N ATOM 1945 CA PRO A 120 -13.942 -0.209 -2.795 1.00 4.76 C ATOM 1946 C PRO A 120 -14.996 0.668 -3.484 1.00 5.30 C ATOM 1947 O PRO A 120 -15.383 0.395 -4.620 1.00 5.67 O ATOM 1948 CB PRO A 120 -14.395 -0.549 -1.364 1.00 5.36 C ATOM 1949 CG PRO A 120 -13.446 0.163 -0.459 1.00 5.32 C ATOM 1950 CD PRO A 120 -12.161 0.288 -1.222 1.00 4.35 C ATOM 0 HA PRO A 120 -13.845 -1.067 -3.460 1.00 4.76 H new ATOM 0 HB2 PRO A 120 -15.421 -0.223 -1.190 1.00 5.36 H new ATOM 0 HB3 PRO A 120 -14.369 -1.625 -1.190 1.00 5.36 H new ATOM 0 HG2 PRO A 120 -13.832 1.144 -0.182 1.00 5.32 H new ATOM 0 HG3 PRO A 120 -13.298 -0.394 0.466 1.00 5.32 H new ATOM 0 HD2 PRO A 120 -11.580 1.151 -0.898 1.00 4.35 H new ATOM 0 HD3 PRO A 120 -11.527 -0.589 -1.094 1.00 4.35 H new ATOM 1958 N LEU A 121 -15.478 1.692 -2.775 1.00 5.76 N ATOM 1959 CA LEU A 121 -16.555 2.564 -3.271 1.00 6.64 C ATOM 1960 C LEU A 121 -17.834 1.781 -3.588 1.00 7.21 C ATOM 1961 O LEU A 121 -18.685 2.257 -4.339 1.00 8.02 O ATOM 1962 CB LEU A 121 -16.109 3.343 -4.516 1.00 7.00 C ATOM 1963 CG LEU A 121 -15.167 4.516 -4.255 1.00 7.64 C ATOM 1964 CD1 LEU A 121 -14.796 5.200 -5.561 1.00 8.32 C ATOM 1965 CD2 LEU A 121 -15.803 5.513 -3.298 1.00 8.23 C ATOM 0 H LEU A 121 -15.138 1.942 -1.846 1.00 5.76 H new ATOM 0 HA LEU A 121 -16.777 3.267 -2.468 1.00 6.64 H new ATOM 0 HB2 LEU A 121 -15.618 2.651 -5.200 1.00 7.00 H new ATOM 0 HB3 LEU A 121 -16.996 3.719 -5.025 1.00 7.00 H new ATOM 0 HG LEU A 121 -14.258 4.129 -3.794 1.00 7.64 H new ATOM 0 HD11 LEU A 121 -14.124 6.034 -5.357 1.00 8.32 H new ATOM 0 HD12 LEU A 121 -14.299 4.486 -6.217 1.00 8.32 H new ATOM 0 HD13 LEU A 121 -15.699 5.572 -6.046 1.00 8.32 H new ATOM 0 HD21 LEU A 121 -15.115 6.341 -3.125 1.00 8.23 H new ATOM 0 HD22 LEU A 121 -16.728 5.894 -3.731 1.00 8.23 H new ATOM 0 HD23 LEU A 121 -16.022 5.020 -2.351 1.00 8.23 H new ATOM 1977 N LYS A 122 -17.981 0.597 -2.999 1.00 6.97 N ATOM 1978 CA LYS A 122 -19.161 -0.222 -3.251 1.00 7.57 C ATOM 1979 C LYS A 122 -20.219 0.009 -2.171 1.00 7.91 C ATOM 1980 O LYS A 122 -20.197 1.019 -1.468 1.00 8.21 O ATOM 1981 CB LYS A 122 -18.794 -1.712 -3.323 1.00 7.50 C ATOM 1982 CG LYS A 122 -18.429 -2.324 -1.982 1.00 7.88 C ATOM 1983 CD LYS A 122 -18.580 -3.839 -1.991 1.00 8.29 C ATOM 1984 CE LYS A 122 -17.657 -4.511 -2.998 1.00 8.52 C ATOM 1985 NZ LYS A 122 -16.237 -4.508 -2.555 1.00 9.01 N ATOM 0 H LYS A 122 -17.307 0.188 -2.352 1.00 6.97 H new ATOM 0 HA LYS A 122 -19.574 0.076 -4.215 1.00 7.57 H new ATOM 0 HB2 LYS A 122 -19.635 -2.263 -3.745 1.00 7.50 H new ATOM 0 HB3 LYS A 122 -17.955 -1.836 -4.008 1.00 7.50 H new ATOM 0 HG2 LYS A 122 -17.401 -2.063 -1.731 1.00 7.88 H new ATOM 0 HG3 LYS A 122 -19.064 -1.900 -1.204 1.00 7.88 H new ATOM 0 HD2 LYS A 122 -18.370 -4.228 -0.995 1.00 8.29 H new ATOM 0 HD3 LYS A 122 -19.614 -4.097 -2.222 1.00 8.29 H new ATOM 0 HE2 LYS A 122 -17.983 -5.539 -3.156 1.00 8.52 H new ATOM 0 HE3 LYS A 122 -17.737 -4.000 -3.957 1.00 8.52 H new ATOM 0 HZ1 LYS A 122 -15.648 -4.976 -3.273 1.00 9.01 H new ATOM 0 HZ2 LYS A 122 -15.915 -3.527 -2.429 1.00 9.01 H new ATOM 0 HZ3 LYS A 122 -16.154 -5.019 -1.653 1.00 9.01 H new ATOM 1999 N SER A 123 -21.128 -0.942 -2.032 1.00 8.13 N ATOM 2000 CA SER A 123 -22.248 -0.813 -1.118 1.00 8.74 C ATOM 2001 C SER A 123 -21.913 -1.407 0.247 1.00 9.13 C ATOM 2002 O SER A 123 -22.250 -0.840 1.286 1.00 9.77 O ATOM 2003 CB SER A 123 -23.459 -1.517 -1.720 1.00 9.55 C ATOM 2004 OG SER A 123 -23.081 -2.776 -2.256 1.00 10.02 O ATOM 0 H SER A 123 -21.110 -1.822 -2.548 1.00 8.13 H new ATOM 0 HA SER A 123 -22.470 0.244 -0.972 1.00 8.74 H new ATOM 0 HB2 SER A 123 -24.225 -1.654 -0.957 1.00 9.55 H new ATOM 0 HB3 SER A 123 -23.896 -0.897 -2.503 1.00 9.55 H new ATOM 0 HG SER A 123 -23.868 -3.218 -2.638 1.00 10.02 H new ATOM 2010 N ASN A 124 -21.238 -2.550 0.233 1.00 8.97 N ATOM 2011 CA ASN A 124 -20.881 -3.246 1.465 1.00 9.58 C ATOM 2012 C ASN A 124 -19.563 -2.714 2.020 1.00 9.85 C ATOM 2013 O ASN A 124 -19.247 -2.899 3.197 1.00 10.46 O ATOM 2014 CB ASN A 124 -20.797 -4.757 1.200 1.00 9.87 C ATOM 2015 CG ASN A 124 -20.269 -5.551 2.382 1.00 10.41 C ATOM 2016 OD1 ASN A 124 -21.000 -5.834 3.331 1.00 10.72 O ATOM 2017 ND2 ASN A 124 -19.010 -5.954 2.311 1.00 10.73 N ATOM 0 H ASN A 124 -20.926 -3.016 -0.619 1.00 8.97 H new ATOM 0 HA ASN A 124 -21.653 -3.065 2.213 1.00 9.58 H new ATOM 0 HB2 ASN A 124 -21.788 -5.127 0.937 1.00 9.87 H new ATOM 0 HB3 ASN A 124 -20.153 -4.931 0.338 1.00 9.87 H new ATOM 0 HD21 ASN A 124 -18.613 -6.521 3.060 1.00 10.73 H new ATOM 0 HD22 ASN A 124 -18.437 -5.698 1.507 1.00 10.73 H new ATOM 2024 N LEU A 125 -18.822 -2.024 1.156 1.00 9.60 N ATOM 2025 CA LEU A 125 -17.506 -1.479 1.489 1.00 10.02 C ATOM 2026 C LEU A 125 -16.558 -2.579 1.961 1.00 10.81 C ATOM 2027 O LEU A 125 -15.957 -3.278 1.146 1.00 11.19 O ATOM 2028 CB LEU A 125 -17.618 -0.369 2.542 1.00 10.19 C ATOM 2029 CG LEU A 125 -18.420 0.862 2.110 1.00 10.16 C ATOM 2030 CD1 LEU A 125 -18.515 1.860 3.253 1.00 10.20 C ATOM 2031 CD2 LEU A 125 -17.786 1.511 0.887 1.00 10.52 C ATOM 0 H LEU A 125 -19.118 -1.826 0.200 1.00 9.60 H new ATOM 0 HA LEU A 125 -17.090 -1.042 0.581 1.00 10.02 H new ATOM 0 HB2 LEU A 125 -18.077 -0.786 3.438 1.00 10.19 H new ATOM 0 HB3 LEU A 125 -16.613 -0.049 2.818 1.00 10.19 H new ATOM 0 HG LEU A 125 -19.428 0.542 1.845 1.00 10.16 H new ATOM 0 HD11 LEU A 125 -19.088 2.729 2.930 1.00 10.20 H new ATOM 0 HD12 LEU A 125 -19.012 1.393 4.103 1.00 10.20 H new ATOM 0 HD13 LEU A 125 -17.513 2.174 3.546 1.00 10.20 H new ATOM 0 HD21 LEU A 125 -18.370 2.384 0.595 1.00 10.52 H new ATOM 0 HD22 LEU A 125 -16.768 1.818 1.125 1.00 10.52 H new ATOM 0 HD23 LEU A 125 -17.766 0.796 0.065 1.00 10.52 H new ATOM 2043 N GLU A 126 -16.456 -2.747 3.271 1.00 11.23 N ATOM 2044 CA GLU A 126 -15.600 -3.768 3.852 1.00 12.15 C ATOM 2045 C GLU A 126 -16.427 -4.987 4.224 1.00 12.62 C ATOM 2046 O GLU A 126 -16.362 -6.025 3.566 1.00 12.75 O ATOM 2047 CB GLU A 126 -14.891 -3.220 5.094 1.00 12.73 C ATOM 2048 CG GLU A 126 -14.007 -2.018 4.808 1.00 12.68 C ATOM 2049 CD GLU A 126 -12.875 -2.351 3.862 1.00 13.31 C ATOM 2050 OE1 GLU A 126 -13.101 -2.345 2.633 1.00 13.65 O ATOM 2051 OE2 GLU A 126 -11.756 -2.629 4.344 1.00 13.59 O ATOM 0 H GLU A 126 -16.960 -2.184 3.956 1.00 11.23 H new ATOM 0 HA GLU A 126 -14.849 -4.057 3.117 1.00 12.15 H new ATOM 0 HB2 GLU A 126 -15.639 -2.942 5.836 1.00 12.73 H new ATOM 0 HB3 GLU A 126 -14.284 -4.011 5.534 1.00 12.73 H new ATOM 0 HG2 GLU A 126 -14.612 -1.218 4.380 1.00 12.68 H new ATOM 0 HG3 GLU A 126 -13.596 -1.641 5.744 1.00 12.68 H new ATOM 2058 N HIS A 127 -17.219 -4.833 5.273 1.00 13.05 N ATOM 2059 CA HIS A 127 -18.100 -5.886 5.753 1.00 13.73 C ATOM 2060 C HIS A 127 -19.127 -5.285 6.705 1.00 14.46 C ATOM 2061 O HIS A 127 -18.973 -5.344 7.926 1.00 15.02 O ATOM 2062 CB HIS A 127 -17.287 -6.995 6.439 1.00 13.95 C ATOM 2063 CG HIS A 127 -18.114 -8.105 7.021 1.00 13.92 C ATOM 2064 ND1 HIS A 127 -17.962 -8.546 8.316 1.00 13.85 N ATOM 2065 CD2 HIS A 127 -19.089 -8.871 6.478 1.00 14.14 C ATOM 2066 CE1 HIS A 127 -18.805 -9.533 8.545 1.00 14.02 C ATOM 2067 NE2 HIS A 127 -19.501 -9.750 7.447 1.00 14.19 N ATOM 0 H HIS A 127 -17.269 -3.972 5.817 1.00 13.05 H new ATOM 0 HA HIS A 127 -18.624 -6.337 4.910 1.00 13.73 H new ATOM 0 HB2 HIS A 127 -16.591 -7.419 5.715 1.00 13.95 H new ATOM 0 HB3 HIS A 127 -16.688 -6.550 7.234 1.00 13.95 H new ATOM 0 HD2 HIS A 127 -19.471 -8.803 5.470 1.00 14.14 H new ATOM 0 HE1 HIS A 127 -18.908 -10.073 9.475 1.00 14.02 H new ATOM 0 HE2 HIS A 127 -20.228 -10.457 7.336 1.00 14.19 H new ATOM 2076 N HIS A 128 -20.148 -4.667 6.126 1.00 14.57 N ATOM 2077 CA HIS A 128 -21.183 -3.983 6.890 1.00 15.36 C ATOM 2078 C HIS A 128 -22.308 -3.536 5.968 1.00 15.73 C ATOM 2079 O HIS A 128 -22.147 -2.585 5.202 1.00 15.78 O ATOM 2080 CB HIS A 128 -20.610 -2.755 7.612 1.00 15.59 C ATOM 2081 CG HIS A 128 -20.630 -2.856 9.107 1.00 16.16 C ATOM 2082 ND1 HIS A 128 -19.487 -2.828 9.878 1.00 16.55 N ATOM 2083 CD2 HIS A 128 -21.663 -2.966 9.977 1.00 16.56 C ATOM 2084 CE1 HIS A 128 -19.817 -2.918 11.152 1.00 17.14 C ATOM 2085 NE2 HIS A 128 -21.128 -3.002 11.239 1.00 17.17 N ATOM 0 H HIS A 128 -20.282 -4.626 5.116 1.00 14.57 H new ATOM 0 HA HIS A 128 -21.569 -4.683 7.631 1.00 15.36 H new ATOM 0 HB2 HIS A 128 -19.582 -2.601 7.283 1.00 15.59 H new ATOM 0 HB3 HIS A 128 -21.176 -1.874 7.311 1.00 15.59 H new ATOM 0 HD2 HIS A 128 -22.712 -3.016 9.724 1.00 16.56 H new ATOM 0 HE1 HIS A 128 -19.128 -2.922 11.984 1.00 17.14 H new ATOM 0 HE2 HIS A 128 -21.660 -3.081 12.106 1.00 17.17 H new ATOM 2094 N HIS A 129 -23.439 -4.222 6.029 1.00 16.11 N ATOM 2095 CA HIS A 129 -24.599 -3.822 5.246 1.00 16.58 C ATOM 2096 C HIS A 129 -25.300 -2.663 5.940 1.00 17.23 C ATOM 2097 O HIS A 129 -25.805 -2.812 7.055 1.00 17.50 O ATOM 2098 CB HIS A 129 -25.559 -5.004 5.002 1.00 16.58 C ATOM 2099 CG HIS A 129 -26.060 -5.702 6.235 1.00 16.90 C ATOM 2100 ND1 HIS A 129 -25.368 -6.710 6.866 1.00 16.88 N ATOM 2101 CD2 HIS A 129 -27.213 -5.559 6.929 1.00 17.40 C ATOM 2102 CE1 HIS A 129 -26.074 -7.158 7.885 1.00 17.35 C ATOM 2103 NE2 HIS A 129 -27.202 -6.476 7.949 1.00 17.66 N ATOM 0 H HIS A 129 -23.579 -5.051 6.607 1.00 16.11 H new ATOM 0 HA HIS A 129 -24.262 -3.493 4.263 1.00 16.58 H new ATOM 0 HB2 HIS A 129 -26.418 -4.640 4.439 1.00 16.58 H new ATOM 0 HB3 HIS A 129 -25.052 -5.736 4.373 1.00 16.58 H new ATOM 0 HD2 HIS A 129 -28.000 -4.850 6.718 1.00 17.40 H new ATOM 0 HE1 HIS A 129 -25.779 -7.951 8.556 1.00 17.35 H new ATOM 0 HE2 HIS A 129 -27.941 -6.608 8.640 1.00 17.66 H new ATOM 2112 N HIS A 130 -25.296 -1.507 5.278 1.00 17.61 N ATOM 2113 CA HIS A 130 -25.775 -0.255 5.868 1.00 18.35 C ATOM 2114 C HIS A 130 -24.843 0.174 6.992 1.00 19.00 C ATOM 2115 O HIS A 130 -24.884 -0.377 8.093 1.00 19.31 O ATOM 2116 CB HIS A 130 -27.214 -0.376 6.392 1.00 18.48 C ATOM 2117 CG HIS A 130 -28.259 -0.334 5.323 1.00 18.54 C ATOM 2118 ND1 HIS A 130 -29.482 0.270 5.497 1.00 19.17 N ATOM 2119 CD2 HIS A 130 -28.270 -0.840 4.068 1.00 18.19 C ATOM 2120 CE1 HIS A 130 -30.201 0.131 4.400 1.00 19.21 C ATOM 2121 NE2 HIS A 130 -29.489 -0.540 3.514 1.00 18.63 N ATOM 0 H HIS A 130 -24.962 -1.410 4.319 1.00 17.61 H new ATOM 0 HA HIS A 130 -25.778 0.501 5.083 1.00 18.35 H new ATOM 0 HB2 HIS A 130 -27.311 -1.311 6.943 1.00 18.48 H new ATOM 0 HB3 HIS A 130 -27.401 0.432 7.100 1.00 18.48 H new ATOM 0 HD2 HIS A 130 -27.467 -1.381 3.590 1.00 18.19 H new ATOM 0 HE1 HIS A 130 -31.204 0.504 4.252 1.00 19.21 H new ATOM 0 HE2 HIS A 130 -29.794 -0.793 2.574 1.00 18.63 H new ATOM 2130 N HIS A 131 -23.986 1.143 6.704 1.00 19.31 N ATOM 2131 CA HIS A 131 -23.008 1.607 7.674 1.00 20.05 C ATOM 2132 C HIS A 131 -23.702 2.220 8.884 1.00 20.81 C ATOM 2133 O HIS A 131 -24.331 3.271 8.788 1.00 21.07 O ATOM 2134 CB HIS A 131 -22.047 2.622 7.040 1.00 20.08 C ATOM 2135 CG HIS A 131 -21.023 3.175 7.995 1.00 20.69 C ATOM 2136 ND1 HIS A 131 -19.750 2.658 8.124 1.00 21.19 N ATOM 2137 CD2 HIS A 131 -21.091 4.212 8.869 1.00 20.98 C ATOM 2138 CE1 HIS A 131 -19.086 3.349 9.032 1.00 21.75 C ATOM 2139 NE2 HIS A 131 -19.877 4.295 9.497 1.00 21.64 N ATOM 0 H HIS A 131 -23.949 1.623 5.805 1.00 19.31 H new ATOM 0 HA HIS A 131 -22.427 0.746 8.005 1.00 20.05 H new ATOM 0 HB2 HIS A 131 -21.531 2.146 6.206 1.00 20.08 H new ATOM 0 HB3 HIS A 131 -22.627 3.447 6.627 1.00 20.08 H new ATOM 0 HD2 HIS A 131 -21.944 4.852 9.038 1.00 20.98 H new ATOM 0 HE1 HIS A 131 -18.067 3.169 9.341 1.00 21.75 H new ATOM 0 HE2 HIS A 131 -19.625 4.979 10.210 1.00 21.64 H new ATOM 2148 N HIS A 132 -23.582 1.546 10.012 1.00 21.26 N ATOM 2149 CA HIS A 132 -24.120 2.047 11.261 1.00 22.09 C ATOM 2150 C HIS A 132 -23.078 1.869 12.356 1.00 22.39 C ATOM 2151 O HIS A 132 -23.311 1.095 13.302 1.00 22.87 O ATOM 2152 CB HIS A 132 -25.457 1.356 11.614 1.00 22.48 C ATOM 2153 CG HIS A 132 -25.406 -0.146 11.736 1.00 22.85 C ATOM 2154 ND1 HIS A 132 -25.371 -0.994 10.647 1.00 22.57 N ATOM 2155 CD2 HIS A 132 -25.403 -0.949 12.828 1.00 23.59 C ATOM 2156 CE1 HIS A 132 -25.353 -2.247 11.064 1.00 23.12 C ATOM 2157 NE2 HIS A 132 -25.371 -2.247 12.382 1.00 23.74 N ATOM 2158 OXT HIS A 132 -21.994 2.466 12.226 1.00 22.23 O ATOM 0 H HIS A 132 -23.113 0.643 10.088 1.00 21.26 H new ATOM 0 HA HIS A 132 -24.343 3.109 11.161 1.00 22.09 H new ATOM 0 HB2 HIS A 132 -25.819 1.766 12.557 1.00 22.48 H new ATOM 0 HB3 HIS A 132 -26.191 1.615 10.851 1.00 22.48 H new ATOM 0 HD1 HIS A 132 -25.361 -0.698 9.671 1.00 22.57 H new ATOM 0 HD2 HIS A 132 -25.422 -0.627 13.859 1.00 23.59 H new ATOM 0 HE1 HIS A 132 -25.328 -3.123 10.432 1.00 23.12 H new TER 2167 HIS A 132