USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 985 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 10 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.038) USER MOD Set 1.2: A 103 SER OG : rot -130:sc= 0 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -167:sc= -1.38! (180deg=-1.74!) USER MOD Set 2.2: A 68 SER OG : rot 170:sc= 0 USER MOD Single : A 1 PHE N :NH3+ -134:sc= 0.588 (180deg=0.128) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc=-0.00119 (180deg=-0.103) USER MOD Single : A 12 TYR OH : rot 100:sc= -3.7 USER MOD Single : A 18 TYR OH : rot 84:sc= 1.31 USER MOD Single : A 20 THR OG1 : rot -67:sc= -0.995 USER MOD Single : A 23 TYR OH : rot 125:sc= -0.751! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -82:sc= -0.0659 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.0261 (180deg=-0.442) USER MOD Single : A 29 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 30 ASN : amide:sc= -2.67! C(o=-2.7!,f=-2.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.07 F(o=-3.4,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.333 K(o=0.33,f=-2.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 158:sc= -3.86 (180deg=-5.98!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -117:sc= -1.24 (180deg=-3.86!) USER MOD Single : A 73 THR OG1 : rot 50:sc= -5.81! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.53! USER MOD Single : A 83 SER OG : rot -53:sc= 1.14 USER MOD Single : A 84 ASN : amide:sc= -0.0612 K(o=-0.061,f=-0.58) USER MOD Single : A 87 ASN : amide:sc= -1.11 K(o=-1.1,f=-6.8!) USER MOD Single : A 92 ASN : amide:sc= -2.07 X(o=-2.1,f=-1.6) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -102:sc= -2.63! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 71:sc= 0.0146 USER MOD Single : A 112 HIS : no HD1:sc= -6.47! C(o=-6.5!,f=-9.9!) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 16.291 0.665 29.773 1.00 0.00 N ATOM 2 CA PHE A 1 15.997 1.756 28.807 1.00 0.00 C ATOM 3 C PHE A 1 16.337 1.337 27.381 1.00 0.00 C ATOM 4 O PHE A 1 17.139 0.428 27.164 1.00 0.00 O ATOM 5 CB PHE A 1 16.811 2.989 29.203 1.00 0.00 C ATOM 6 CG PHE A 1 18.263 2.695 29.451 1.00 0.00 C ATOM 7 CD1 PHE A 1 19.103 2.354 28.404 1.00 0.00 C ATOM 8 CD2 PHE A 1 18.787 2.761 30.732 1.00 0.00 C ATOM 9 CE1 PHE A 1 20.440 2.084 28.630 1.00 0.00 C ATOM 10 CE2 PHE A 1 20.123 2.492 30.964 1.00 0.00 C ATOM 11 CZ PHE A 1 20.951 2.153 29.911 1.00 0.00 C ATOM 0 H1 PHE A 1 15.490 0.555 30.427 1.00 0.00 H new ATOM 0 H2 PHE A 1 16.440 -0.225 29.256 1.00 0.00 H new ATOM 0 H3 PHE A 1 17.149 0.900 30.312 1.00 0.00 H new ATOM 0 HA PHE A 1 14.931 1.983 28.837 1.00 0.00 H new ATOM 0 HB2 PHE A 1 16.730 3.737 28.414 1.00 0.00 H new ATOM 0 HB3 PHE A 1 16.378 3.426 30.103 1.00 0.00 H new ATOM 0 HD1 PHE A 1 18.709 2.298 27.400 1.00 0.00 H new ATOM 0 HD2 PHE A 1 18.144 3.026 31.559 1.00 0.00 H new ATOM 0 HE1 PHE A 1 21.085 1.819 27.805 1.00 0.00 H new ATOM 0 HE2 PHE A 1 20.519 2.547 31.967 1.00 0.00 H new ATOM 0 HZ PHE A 1 21.995 1.943 30.089 1.00 0.00 H new ATOM 22 N ALA A 2 15.722 2.006 26.411 1.00 0.00 N ATOM 23 CA ALA A 2 15.960 1.702 25.004 1.00 0.00 C ATOM 24 C ALA A 2 17.384 2.064 24.598 1.00 0.00 C ATOM 25 O ALA A 2 17.769 3.233 24.621 1.00 0.00 O ATOM 26 CB ALA A 2 14.956 2.438 24.130 1.00 0.00 C ATOM 0 H ALA A 2 15.056 2.761 26.573 1.00 0.00 H new ATOM 0 HA ALA A 2 15.832 0.629 24.862 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.144 2.203 23.082 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.946 2.127 24.396 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.058 3.512 24.285 1.00 0.00 H new ATOM 32 N LYS A 3 18.163 1.053 24.226 1.00 0.00 N ATOM 33 CA LYS A 3 19.547 1.265 23.815 1.00 0.00 C ATOM 34 C LYS A 3 19.712 1.023 22.318 1.00 0.00 C ATOM 35 O LYS A 3 20.549 1.647 21.667 1.00 0.00 O ATOM 36 CB LYS A 3 20.481 0.343 24.599 1.00 0.00 C ATOM 37 CG LYS A 3 20.231 -1.135 24.346 1.00 0.00 C ATOM 38 CD LYS A 3 21.134 -1.672 23.247 1.00 0.00 C ATOM 39 CE LYS A 3 22.354 -2.372 23.821 1.00 0.00 C ATOM 40 NZ LYS A 3 22.004 -3.682 24.437 1.00 0.00 N ATOM 0 H LYS A 3 17.860 0.079 24.201 1.00 0.00 H new ATOM 0 HA LYS A 3 19.809 2.301 24.029 1.00 0.00 H new ATOM 0 HB2 LYS A 3 21.513 0.578 24.338 1.00 0.00 H new ATOM 0 HB3 LYS A 3 20.367 0.545 25.664 1.00 0.00 H new ATOM 0 HG2 LYS A 3 20.401 -1.696 25.265 1.00 0.00 H new ATOM 0 HG3 LYS A 3 19.188 -1.286 24.068 1.00 0.00 H new ATOM 0 HD2 LYS A 3 20.574 -2.368 22.622 1.00 0.00 H new ATOM 0 HD3 LYS A 3 21.453 -0.852 22.604 1.00 0.00 H new ATOM 0 HE2 LYS A 3 23.089 -2.527 23.031 1.00 0.00 H new ATOM 0 HE3 LYS A 3 22.821 -1.732 24.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 22.868 -4.245 24.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 21.549 -3.522 25.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 21.350 -4.195 23.813 1.00 0.00 H new ATOM 54 N LEU A 4 18.909 0.112 21.778 1.00 0.00 N ATOM 55 CA LEU A 4 18.967 -0.213 20.358 1.00 0.00 C ATOM 56 C LEU A 4 18.008 0.663 19.559 1.00 0.00 C ATOM 57 O LEU A 4 17.215 1.412 20.129 1.00 0.00 O ATOM 58 CB LEU A 4 18.631 -1.690 20.137 1.00 0.00 C ATOM 59 CG LEU A 4 17.303 -2.149 20.743 1.00 0.00 C ATOM 60 CD1 LEU A 4 16.628 -3.169 19.839 1.00 0.00 C ATOM 61 CD2 LEU A 4 17.525 -2.730 22.132 1.00 0.00 C ATOM 0 H LEU A 4 18.210 -0.414 22.303 1.00 0.00 H new ATOM 0 HA LEU A 4 19.982 -0.022 20.009 1.00 0.00 H new ATOM 0 HB2 LEU A 4 18.611 -1.886 19.065 1.00 0.00 H new ATOM 0 HB3 LEU A 4 19.434 -2.296 20.557 1.00 0.00 H new ATOM 0 HG LEU A 4 16.647 -1.283 20.832 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.685 -3.484 20.286 1.00 0.00 H new ATOM 0 HD12 LEU A 4 16.435 -2.720 18.864 1.00 0.00 H new ATOM 0 HD13 LEU A 4 17.279 -4.035 19.718 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.571 -3.052 22.549 1.00 0.00 H new ATOM 0 HD22 LEU A 4 18.198 -3.585 22.066 1.00 0.00 H new ATOM 0 HD23 LEU A 4 17.965 -1.970 22.778 1.00 0.00 H new ATOM 73 N VAL A 5 18.087 0.565 18.235 1.00 0.00 N ATOM 74 CA VAL A 5 17.227 1.349 17.359 1.00 0.00 C ATOM 75 C VAL A 5 15.857 0.697 17.206 1.00 0.00 C ATOM 76 O VAL A 5 15.748 -0.526 17.114 1.00 0.00 O ATOM 77 CB VAL A 5 17.856 1.526 15.964 1.00 0.00 C ATOM 78 CG1 VAL A 5 17.045 2.507 15.131 1.00 0.00 C ATOM 79 CG2 VAL A 5 19.301 1.985 16.085 1.00 0.00 C ATOM 0 H VAL A 5 18.738 -0.050 17.747 1.00 0.00 H new ATOM 0 HA VAL A 5 17.112 2.328 17.824 1.00 0.00 H new ATOM 0 HB VAL A 5 17.846 0.561 15.457 1.00 0.00 H new ATOM 0 HG11 VAL A 5 17.506 2.618 14.149 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.028 2.132 15.014 1.00 0.00 H new ATOM 0 HG13 VAL A 5 17.019 3.475 15.632 1.00 0.00 H new ATOM 0 HG21 VAL A 5 19.729 2.105 15.090 1.00 0.00 H new ATOM 0 HG22 VAL A 5 19.337 2.938 16.613 1.00 0.00 H new ATOM 0 HG23 VAL A 5 19.874 1.242 16.639 1.00 0.00 H new ATOM 89 N ARG A 6 14.814 1.520 17.179 1.00 0.00 N ATOM 90 CA ARG A 6 13.451 1.022 17.038 1.00 0.00 C ATOM 91 C ARG A 6 12.456 2.177 16.956 1.00 0.00 C ATOM 92 O ARG A 6 11.921 2.619 17.973 1.00 0.00 O ATOM 93 CB ARG A 6 13.094 0.109 18.211 1.00 0.00 C ATOM 94 CG ARG A 6 12.009 -0.905 17.887 1.00 0.00 C ATOM 95 CD ARG A 6 12.228 -2.212 18.630 1.00 0.00 C ATOM 96 NE ARG A 6 10.967 -2.831 19.033 1.00 0.00 N ATOM 97 CZ ARG A 6 10.174 -2.346 19.985 1.00 0.00 C ATOM 98 NH1 ARG A 6 10.506 -1.237 20.634 1.00 0.00 N ATOM 99 NH2 ARG A 6 9.044 -2.970 20.288 1.00 0.00 N ATOM 0 H ARG A 6 14.887 2.535 17.253 1.00 0.00 H new ATOM 0 HA ARG A 6 13.394 0.450 16.112 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.990 -0.421 18.533 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.767 0.722 19.051 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.035 -0.494 18.151 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.995 -1.094 16.814 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.783 -2.902 17.994 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.840 -2.029 19.513 1.00 0.00 H new ATOM 0 HE ARG A 6 10.678 -3.685 18.556 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.373 -0.752 20.404 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.894 -0.870 21.363 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.783 -3.822 19.791 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.436 -2.598 21.018 1.00 0.00 H new ATOM 113 N PRO A 7 12.192 2.683 15.738 1.00 0.00 N ATOM 114 CA PRO A 7 11.255 3.792 15.528 1.00 0.00 C ATOM 115 C PRO A 7 9.915 3.562 16.227 1.00 0.00 C ATOM 116 O PRO A 7 9.101 2.759 15.771 1.00 0.00 O ATOM 117 CB PRO A 7 11.068 3.812 14.010 1.00 0.00 C ATOM 118 CG PRO A 7 12.331 3.239 13.468 1.00 0.00 C ATOM 119 CD PRO A 7 12.786 2.214 14.472 1.00 0.00 C ATOM 0 HA PRO A 7 11.632 4.728 15.939 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.203 3.220 13.709 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.904 4.826 13.644 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.165 2.782 12.492 1.00 0.00 H new ATOM 0 HG3 PRO A 7 13.085 4.015 13.333 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.437 1.215 14.211 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.873 2.167 14.532 1.00 0.00 H new ATOM 127 N PRO A 8 9.667 4.265 17.347 1.00 0.00 N ATOM 128 CA PRO A 8 8.418 4.128 18.102 1.00 0.00 C ATOM 129 C PRO A 8 7.228 4.740 17.370 1.00 0.00 C ATOM 130 O PRO A 8 6.646 5.726 17.824 1.00 0.00 O ATOM 131 CB PRO A 8 8.702 4.891 19.397 1.00 0.00 C ATOM 132 CG PRO A 8 9.735 5.897 19.023 1.00 0.00 C ATOM 133 CD PRO A 8 10.581 5.246 17.964 1.00 0.00 C ATOM 0 HA PRO A 8 8.147 3.084 18.258 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.801 5.371 19.779 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.064 4.223 20.179 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.273 6.810 18.647 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.338 6.177 19.887 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.941 5.972 17.235 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.459 4.762 18.393 1.00 0.00 H new ATOM 141 N VAL A 9 6.869 4.149 16.236 1.00 0.00 N ATOM 142 CA VAL A 9 5.747 4.636 15.442 1.00 0.00 C ATOM 143 C VAL A 9 5.003 3.484 14.775 1.00 0.00 C ATOM 144 O VAL A 9 5.567 2.757 13.957 1.00 0.00 O ATOM 145 CB VAL A 9 6.211 5.629 14.360 1.00 0.00 C ATOM 146 CG1 VAL A 9 6.804 6.876 14.997 1.00 0.00 C ATOM 147 CG2 VAL A 9 7.213 4.972 13.424 1.00 0.00 C ATOM 0 H VAL A 9 7.339 3.332 15.846 1.00 0.00 H new ATOM 0 HA VAL A 9 5.074 5.149 16.129 1.00 0.00 H new ATOM 0 HB VAL A 9 5.343 5.927 13.773 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.126 7.565 14.216 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.051 7.359 15.620 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.660 6.598 15.612 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.529 5.690 12.667 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.081 4.641 13.994 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.749 4.113 12.939 1.00 0.00 H new ATOM 157 N GLN A 10 3.733 3.329 15.129 1.00 0.00 N ATOM 158 CA GLN A 10 2.900 2.270 14.568 1.00 0.00 C ATOM 159 C GLN A 10 1.493 2.336 15.149 1.00 0.00 C ATOM 160 O GLN A 10 1.321 2.532 16.352 1.00 0.00 O ATOM 161 CB GLN A 10 3.519 0.899 14.848 1.00 0.00 C ATOM 162 CG GLN A 10 3.296 -0.108 13.731 1.00 0.00 C ATOM 163 CD GLN A 10 3.404 -1.543 14.210 1.00 0.00 C ATOM 164 OE1 GLN A 10 4.181 -2.332 13.672 1.00 0.00 O ATOM 165 NE2 GLN A 10 2.624 -1.888 15.228 1.00 0.00 N ATOM 0 H GLN A 10 3.255 3.925 15.805 1.00 0.00 H new ATOM 0 HA GLN A 10 2.841 2.415 13.489 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.590 1.019 15.009 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.100 0.502 15.773 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.310 0.052 13.294 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.027 0.063 12.941 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.995 -1.201 15.644 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.654 -2.840 15.594 1.00 0.00 H new ATOM 174 N ILE A 11 0.488 2.177 14.292 1.00 0.00 N ATOM 175 CA ILE A 11 -0.901 2.226 14.736 1.00 0.00 C ATOM 176 C ILE A 11 -1.241 3.609 15.281 1.00 0.00 C ATOM 177 O ILE A 11 -0.585 4.104 16.197 1.00 0.00 O ATOM 178 CB ILE A 11 -1.170 1.177 15.822 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.823 -0.223 15.312 1.00 0.00 C ATOM 180 CG2 ILE A 11 -2.620 1.242 16.273 1.00 0.00 C ATOM 181 CD1 ILE A 11 -1.699 -0.682 14.166 1.00 0.00 C ATOM 0 H ILE A 11 0.608 2.014 13.292 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.530 2.011 13.872 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.534 1.394 16.680 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.219 -0.236 14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.912 -0.933 16.134 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.795 0.492 17.044 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.832 2.232 16.676 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.274 1.049 15.423 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.397 -1.682 13.855 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.740 -0.701 14.489 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.592 0.006 13.328 1.00 0.00 H new ATOM 193 N TYR A 12 -2.249 4.245 14.690 1.00 0.00 N ATOM 194 CA TYR A 12 -2.645 5.589 15.099 1.00 0.00 C ATOM 195 C TYR A 12 -4.127 5.828 14.829 1.00 0.00 C ATOM 196 O TYR A 12 -4.923 5.965 15.758 1.00 0.00 O ATOM 197 CB TYR A 12 -1.795 6.633 14.356 1.00 0.00 C ATOM 198 CG TYR A 12 -0.415 6.128 13.976 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.269 5.044 13.120 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.735 6.711 14.494 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.975 4.555 12.790 1.00 0.00 C ATOM 202 CE2 TYR A 12 1.987 6.230 14.162 1.00 0.00 C ATOM 203 CZ TYR A 12 2.102 5.152 13.311 1.00 0.00 C ATOM 204 OH TYR A 12 3.346 4.668 12.980 1.00 0.00 O ATOM 0 H TYR A 12 -2.804 3.853 13.929 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.477 5.686 16.172 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.321 6.943 13.453 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.690 7.518 14.984 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.149 4.575 12.705 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.649 7.552 15.166 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.067 3.708 12.126 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.872 6.697 14.568 1.00 0.00 H new ATOM 0 HH TYR A 12 3.740 5.230 12.280 1.00 0.00 H new ATOM 214 N GLY A 13 -4.492 5.877 13.552 1.00 0.00 N ATOM 215 CA GLY A 13 -5.880 6.099 13.188 1.00 0.00 C ATOM 216 C GLY A 13 -6.044 6.512 11.738 1.00 0.00 C ATOM 217 O GLY A 13 -6.536 5.737 10.918 1.00 0.00 O ATOM 0 H GLY A 13 -3.854 5.767 12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.449 5.187 13.369 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.302 6.871 13.832 1.00 0.00 H new ATOM 221 N ILE A 14 -5.634 7.736 11.422 1.00 0.00 N ATOM 222 CA ILE A 14 -5.742 8.250 10.062 1.00 0.00 C ATOM 223 C ILE A 14 -5.023 7.338 9.072 1.00 0.00 C ATOM 224 O ILE A 14 -5.556 7.015 8.010 1.00 0.00 O ATOM 225 CB ILE A 14 -5.175 9.683 9.955 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.555 10.315 8.609 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.665 9.685 10.153 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.780 9.769 7.426 1.00 0.00 C ATOM 0 H ILE A 14 -5.224 8.390 12.089 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.803 8.276 9.812 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.616 10.286 10.749 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.620 10.159 8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.396 11.392 8.668 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.289 10.705 10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.427 9.287 11.139 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.197 9.065 9.388 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.109 10.268 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.715 9.949 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.958 8.697 7.338 1.00 0.00 H new ATOM 240 N GLU A 15 -3.812 6.922 9.428 1.00 0.00 N ATOM 241 CA GLU A 15 -3.028 6.044 8.570 1.00 0.00 C ATOM 242 C GLU A 15 -3.643 4.651 8.526 1.00 0.00 C ATOM 243 O GLU A 15 -3.591 3.970 7.503 1.00 0.00 O ATOM 244 CB GLU A 15 -1.582 5.967 9.062 1.00 0.00 C ATOM 245 CG GLU A 15 -0.666 6.993 8.414 1.00 0.00 C ATOM 246 CD GLU A 15 0.110 7.809 9.431 1.00 0.00 C ATOM 247 OE1 GLU A 15 -0.439 8.078 10.519 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.267 8.177 9.138 1.00 0.00 O ATOM 0 H GLU A 15 -3.354 7.178 10.303 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.032 6.458 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.566 6.109 10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.192 4.968 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.034 6.483 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.260 7.664 7.793 1.00 0.00 H new ATOM 255 N GLY A 16 -4.237 4.238 9.640 1.00 0.00 N ATOM 256 CA GLY A 16 -4.865 2.933 9.700 1.00 0.00 C ATOM 257 C GLY A 16 -6.143 2.881 8.890 1.00 0.00 C ATOM 258 O GLY A 16 -6.522 1.828 8.380 1.00 0.00 O ATOM 0 H GLY A 16 -4.294 4.783 10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.170 2.179 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.083 2.683 10.738 1.00 0.00 H new ATOM 262 N ARG A 17 -6.807 4.028 8.768 1.00 0.00 N ATOM 263 CA ARG A 17 -8.048 4.115 8.008 1.00 0.00 C ATOM 264 C ARG A 17 -7.780 3.968 6.515 1.00 0.00 C ATOM 265 O ARG A 17 -8.667 3.584 5.756 1.00 0.00 O ATOM 266 CB ARG A 17 -8.752 5.443 8.287 1.00 0.00 C ATOM 267 CG ARG A 17 -9.690 5.396 9.482 1.00 0.00 C ATOM 268 CD ARG A 17 -10.278 6.765 9.783 1.00 0.00 C ATOM 269 NE ARG A 17 -11.636 6.672 10.313 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.487 7.695 10.356 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.124 8.888 9.901 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.704 7.525 10.855 1.00 0.00 N ATOM 0 H ARG A 17 -6.506 4.908 9.186 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.697 3.299 8.324 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.001 6.214 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.318 5.737 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.495 4.688 9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.150 5.031 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.643 7.282 10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.284 7.365 8.873 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.951 5.770 10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.189 9.024 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.780 9.668 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.988 6.610 11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.356 8.309 10.888 1.00 0.00 H new ATOM 286 N TYR A 18 -6.553 4.265 6.095 1.00 0.00 N ATOM 287 CA TYR A 18 -6.185 4.150 4.689 1.00 0.00 C ATOM 288 C TYR A 18 -6.411 2.727 4.200 1.00 0.00 C ATOM 289 O TYR A 18 -7.098 2.501 3.203 1.00 0.00 O ATOM 290 CB TYR A 18 -4.719 4.540 4.488 1.00 0.00 C ATOM 291 CG TYR A 18 -4.525 5.915 3.894 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.076 7.037 4.498 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.787 6.090 2.731 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.897 8.296 3.959 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.602 7.346 2.185 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.160 8.446 2.803 1.00 0.00 C ATOM 297 OH TYR A 18 -3.980 9.699 2.264 1.00 0.00 O ATOM 0 H TYR A 18 -5.801 4.585 6.705 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.813 4.828 4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.207 4.495 5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.244 3.805 3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.654 6.924 5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.350 5.230 2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.332 9.159 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.024 7.466 1.280 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.222 10.138 2.703 1.00 0.00 H new ATOM 307 N ALA A 19 -5.836 1.772 4.917 1.00 0.00 N ATOM 308 CA ALA A 19 -5.979 0.369 4.565 1.00 0.00 C ATOM 309 C ALA A 19 -7.424 -0.077 4.728 1.00 0.00 C ATOM 310 O ALA A 19 -7.971 -0.766 3.870 1.00 0.00 O ATOM 311 CB ALA A 19 -5.059 -0.488 5.421 1.00 0.00 C ATOM 0 H ALA A 19 -5.267 1.944 5.745 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.696 0.245 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.178 -1.536 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.025 -0.185 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.315 -0.358 6.473 1.00 0.00 H new ATOM 317 N THR A 20 -8.039 0.322 5.835 1.00 0.00 N ATOM 318 CA THR A 20 -9.423 -0.044 6.103 1.00 0.00 C ATOM 319 C THR A 20 -10.387 0.701 5.188 1.00 0.00 C ATOM 320 O THR A 20 -11.540 0.299 5.041 1.00 0.00 O ATOM 321 CB THR A 20 -9.776 0.195 7.569 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.878 1.110 8.161 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.746 -1.077 8.386 1.00 0.00 C ATOM 0 H THR A 20 -7.604 0.896 6.557 1.00 0.00 H new ATOM 0 HA THR A 20 -9.526 -1.109 5.894 1.00 0.00 H new ATOM 0 HB THR A 20 -10.790 0.595 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.986 0.707 8.211 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.004 -0.851 9.421 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.465 -1.788 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.747 -1.510 8.348 1.00 0.00 H new ATOM 331 N ALA A 21 -9.916 1.773 4.558 1.00 0.00 N ATOM 332 CA ALA A 21 -10.761 2.533 3.648 1.00 0.00 C ATOM 333 C ALA A 21 -10.532 2.099 2.205 1.00 0.00 C ATOM 334 O ALA A 21 -11.220 2.553 1.292 1.00 0.00 O ATOM 335 CB ALA A 21 -10.520 4.027 3.806 1.00 0.00 C ATOM 0 H ALA A 21 -8.966 2.130 4.660 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.801 2.328 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.162 4.574 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.748 4.326 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.476 4.252 3.586 1.00 0.00 H new ATOM 341 N LEU A 22 -9.580 1.193 2.013 1.00 0.00 N ATOM 342 CA LEU A 22 -9.279 0.666 0.691 1.00 0.00 C ATOM 343 C LEU A 22 -9.600 -0.806 0.673 1.00 0.00 C ATOM 344 O LEU A 22 -10.164 -1.324 -0.291 1.00 0.00 O ATOM 345 CB LEU A 22 -7.813 0.908 0.330 1.00 0.00 C ATOM 346 CG LEU A 22 -7.468 0.726 -1.149 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.412 -0.751 -1.505 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.474 1.453 -2.030 1.00 0.00 C ATOM 0 H LEU A 22 -9.002 0.808 2.760 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.886 1.180 -0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.545 1.922 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.194 0.230 0.917 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.484 1.160 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.165 -0.862 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.649 -1.242 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.381 -1.210 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.210 1.310 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.472 1.053 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.462 2.517 -1.794 1.00 0.00 H new ATOM 360 N TYR A 23 -9.282 -1.468 1.771 1.00 0.00 N ATOM 361 CA TYR A 23 -9.581 -2.864 1.906 1.00 0.00 C ATOM 362 C TYR A 23 -11.046 -3.020 2.310 1.00 0.00 C ATOM 363 O TYR A 23 -11.614 -4.097 2.172 1.00 0.00 O ATOM 364 CB TYR A 23 -8.634 -3.524 2.915 1.00 0.00 C ATOM 365 CG TYR A 23 -9.310 -4.043 4.160 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.114 -5.168 4.103 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.158 -3.404 5.380 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.746 -5.652 5.227 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.787 -3.875 6.510 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.578 -5.002 6.434 1.00 0.00 C ATOM 371 OH TYR A 23 -11.210 -5.472 7.560 1.00 0.00 O ATOM 0 H TYR A 23 -8.816 -1.052 2.578 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.428 -3.371 0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.120 -4.350 2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.871 -2.801 3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.248 -5.676 3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.537 -2.523 5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.368 -6.533 5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.661 -3.364 7.453 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.547 -5.633 8.264 1.00 0.00 H new ATOM 381 N SER A 24 -11.672 -1.928 2.784 1.00 0.00 N ATOM 382 CA SER A 24 -13.080 -1.981 3.162 1.00 0.00 C ATOM 383 C SER A 24 -13.867 -2.613 2.023 1.00 0.00 C ATOM 384 O SER A 24 -14.758 -3.434 2.242 1.00 0.00 O ATOM 385 CB SER A 24 -13.609 -0.580 3.479 1.00 0.00 C ATOM 386 OG SER A 24 -14.952 -0.422 3.051 1.00 0.00 O ATOM 0 H SER A 24 -11.228 -1.018 2.910 1.00 0.00 H new ATOM 0 HA SER A 24 -13.195 -2.584 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.544 -0.400 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.981 0.166 2.992 1.00 0.00 H new ATOM 0 HG SER A 24 -15.261 0.482 3.269 1.00 0.00 H new ATOM 392 N ALA A 25 -13.482 -2.258 0.801 1.00 0.00 N ATOM 393 CA ALA A 25 -14.096 -2.825 -0.385 1.00 0.00 C ATOM 394 C ALA A 25 -13.578 -4.240 -0.558 1.00 0.00 C ATOM 395 O ALA A 25 -14.314 -5.151 -0.933 1.00 0.00 O ATOM 396 CB ALA A 25 -13.788 -1.979 -1.612 1.00 0.00 C ATOM 0 H ALA A 25 -12.746 -1.578 0.611 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.180 -2.840 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.259 -2.424 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.175 -0.971 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.709 -1.935 -1.763 1.00 0.00 H new ATOM 402 N ALA A 26 -12.297 -4.411 -0.246 1.00 0.00 N ATOM 403 CA ALA A 26 -11.656 -5.715 -0.328 1.00 0.00 C ATOM 404 C ALA A 26 -12.361 -6.723 0.576 1.00 0.00 C ATOM 405 O ALA A 26 -12.662 -7.837 0.158 1.00 0.00 O ATOM 406 CB ALA A 26 -10.190 -5.607 0.057 1.00 0.00 C ATOM 0 H ALA A 26 -11.683 -3.659 0.067 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.727 -6.065 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.723 -6.590 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.685 -4.919 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.108 -5.234 1.078 1.00 0.00 H new ATOM 412 N SER A 27 -12.622 -6.317 1.818 1.00 0.00 N ATOM 413 CA SER A 27 -13.293 -7.176 2.787 1.00 0.00 C ATOM 414 C SER A 27 -14.601 -7.710 2.213 1.00 0.00 C ATOM 415 O SER A 27 -14.904 -8.898 2.326 1.00 0.00 O ATOM 416 CB SER A 27 -13.567 -6.399 4.081 1.00 0.00 C ATOM 417 OG SER A 27 -14.920 -5.984 4.162 1.00 0.00 O ATOM 0 H SER A 27 -12.377 -5.394 2.176 1.00 0.00 H new ATOM 0 HA SER A 27 -12.640 -8.020 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.325 -7.025 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.915 -5.527 4.128 1.00 0.00 H new ATOM 0 HG SER A 27 -15.043 -5.165 3.638 1.00 0.00 H new ATOM 423 N LYS A 28 -15.370 -6.820 1.588 1.00 0.00 N ATOM 424 CA LYS A 28 -16.643 -7.198 0.984 1.00 0.00 C ATOM 425 C LYS A 28 -16.462 -8.409 0.079 1.00 0.00 C ATOM 426 O LYS A 28 -17.351 -9.252 -0.038 1.00 0.00 O ATOM 427 CB LYS A 28 -17.223 -6.028 0.186 1.00 0.00 C ATOM 428 CG LYS A 28 -18.740 -5.938 0.255 1.00 0.00 C ATOM 429 CD LYS A 28 -19.212 -4.493 0.231 1.00 0.00 C ATOM 430 CE LYS A 28 -20.397 -4.279 1.159 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.438 -5.329 0.982 1.00 0.00 N ATOM 0 H LYS A 28 -15.133 -5.833 1.488 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.339 -7.457 1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.795 -5.097 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.920 -6.124 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.177 -6.479 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.094 -6.423 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.394 -3.837 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.490 -4.217 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.053 -4.280 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.834 -3.299 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.362 -4.955 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.482 -5.609 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.198 -6.158 1.563 1.00 0.00 H new ATOM 445 N GLN A 29 -15.294 -8.490 -0.550 1.00 0.00 N ATOM 446 CA GLN A 29 -14.979 -9.601 -1.435 1.00 0.00 C ATOM 447 C GLN A 29 -14.219 -10.681 -0.675 1.00 0.00 C ATOM 448 O GLN A 29 -14.364 -11.869 -0.959 1.00 0.00 O ATOM 449 CB GLN A 29 -14.151 -9.116 -2.627 1.00 0.00 C ATOM 450 CG GLN A 29 -14.981 -8.446 -3.710 1.00 0.00 C ATOM 451 CD GLN A 29 -14.351 -7.162 -4.216 1.00 0.00 C ATOM 452 OE1 GLN A 29 -14.998 -6.115 -4.262 1.00 0.00 O ATOM 453 NE2 GLN A 29 -13.081 -7.237 -4.599 1.00 0.00 N ATOM 0 H GLN A 29 -14.550 -7.797 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.913 -10.023 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.396 -8.414 -2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.620 -9.964 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.110 -9.136 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.975 -8.229 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.583 -8.126 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.604 -6.406 -4.948 1.00 0.00 H new ATOM 462 N ASN A 30 -13.394 -10.245 0.286 1.00 0.00 N ATOM 463 CA ASN A 30 -12.579 -11.146 1.103 1.00 0.00 C ATOM 464 C ASN A 30 -11.221 -11.327 0.455 1.00 0.00 C ATOM 465 O ASN A 30 -10.611 -12.394 0.532 1.00 0.00 O ATOM 466 CB ASN A 30 -13.254 -12.508 1.311 1.00 0.00 C ATOM 467 CG ASN A 30 -14.713 -12.380 1.707 1.00 0.00 C ATOM 468 OD1 ASN A 30 -15.119 -11.388 2.313 1.00 0.00 O ATOM 469 ND2 ASN A 30 -15.509 -13.387 1.368 1.00 0.00 N ATOM 0 H ASN A 30 -13.275 -9.259 0.517 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.463 -10.692 2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.180 -13.090 0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.719 -13.061 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.500 -13.358 1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.130 -14.190 0.866 1.00 0.00 H new ATOM 476 N LYS A 31 -10.759 -10.265 -0.190 1.00 0.00 N ATOM 477 CA LYS A 31 -9.478 -10.278 -0.868 1.00 0.00 C ATOM 478 C LYS A 31 -8.373 -9.731 0.030 1.00 0.00 C ATOM 479 O LYS A 31 -7.297 -9.380 -0.448 1.00 0.00 O ATOM 480 CB LYS A 31 -9.566 -9.466 -2.159 1.00 0.00 C ATOM 481 CG LYS A 31 -10.793 -9.793 -2.996 1.00 0.00 C ATOM 482 CD LYS A 31 -10.421 -10.545 -4.264 1.00 0.00 C ATOM 483 CE LYS A 31 -11.613 -10.684 -5.198 1.00 0.00 C ATOM 484 NZ LYS A 31 -11.531 -11.922 -6.023 1.00 0.00 N ATOM 0 H LYS A 31 -11.260 -9.379 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.229 -11.311 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.576 -8.404 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.671 -9.646 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.487 -10.393 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.312 -8.871 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.615 -10.020 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.043 -11.534 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.533 -10.698 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.665 -9.814 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.362 -11.980 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.666 -11.898 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.508 -12.754 -5.399 1.00 0.00 H new ATOM 498 N LEU A 32 -8.639 -9.673 1.339 1.00 0.00 N ATOM 499 CA LEU A 32 -7.658 -9.190 2.303 1.00 0.00 C ATOM 500 C LEU A 32 -6.280 -9.774 2.011 1.00 0.00 C ATOM 501 O LEU A 32 -5.263 -9.148 2.282 1.00 0.00 O ATOM 502 CB LEU A 32 -8.108 -9.567 3.715 1.00 0.00 C ATOM 503 CG LEU A 32 -9.216 -8.684 4.302 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.611 -7.634 5.219 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.034 -8.028 3.197 1.00 0.00 C ATOM 0 H LEU A 32 -9.528 -9.956 1.751 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.586 -8.105 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.455 -10.600 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.244 -9.527 4.378 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.889 -9.313 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.404 -7.011 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.076 -8.125 6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.919 -7.012 4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.813 -7.407 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.383 -7.408 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.493 -8.799 2.578 1.00 0.00 H new ATOM 517 N GLU A 33 -6.256 -10.971 1.438 1.00 0.00 N ATOM 518 CA GLU A 33 -4.997 -11.623 1.095 1.00 0.00 C ATOM 519 C GLU A 33 -4.388 -10.988 -0.153 1.00 0.00 C ATOM 520 O GLU A 33 -3.170 -10.840 -0.259 1.00 0.00 O ATOM 521 CB GLU A 33 -5.215 -13.121 0.867 1.00 0.00 C ATOM 522 CG GLU A 33 -5.621 -13.874 2.124 1.00 0.00 C ATOM 523 CD GLU A 33 -4.960 -15.235 2.226 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.140 -16.053 1.300 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.263 -15.483 3.233 1.00 0.00 O ATOM 0 H GLU A 33 -7.090 -11.509 1.202 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.306 -11.491 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.985 -13.256 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.298 -13.557 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.359 -13.280 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.704 -13.998 2.135 1.00 0.00 H new ATOM 532 N GLN A 34 -5.251 -10.606 -1.089 1.00 0.00 N ATOM 533 CA GLN A 34 -4.818 -9.975 -2.333 1.00 0.00 C ATOM 534 C GLN A 34 -4.583 -8.478 -2.141 1.00 0.00 C ATOM 535 O GLN A 34 -4.069 -7.804 -3.034 1.00 0.00 O ATOM 536 CB GLN A 34 -5.864 -10.205 -3.426 1.00 0.00 C ATOM 537 CG GLN A 34 -5.529 -9.537 -4.749 1.00 0.00 C ATOM 538 CD GLN A 34 -4.191 -9.983 -5.305 1.00 0.00 C ATOM 539 OE1 GLN A 34 -3.312 -9.023 -5.576 1.00 0.00 O flip ATOM 540 NE2 GLN A 34 -3.949 -11.175 -5.491 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.261 -10.723 -1.009 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.874 -10.429 -2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.975 -11.277 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.828 -9.834 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.312 -9.761 -5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.520 -8.455 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.653 -11.879 -5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.044 -11.459 -5.867 1.00 0.00 H new ATOM 549 N VAL A 35 -4.962 -7.959 -0.976 1.00 0.00 N ATOM 550 CA VAL A 35 -4.789 -6.541 -0.682 1.00 0.00 C ATOM 551 C VAL A 35 -3.813 -6.337 0.476 1.00 0.00 C ATOM 552 O VAL A 35 -3.052 -5.368 0.492 1.00 0.00 O ATOM 553 CB VAL A 35 -6.135 -5.855 -0.339 1.00 0.00 C ATOM 554 CG1 VAL A 35 -6.141 -4.427 -0.856 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.326 -6.635 -0.902 1.00 0.00 C ATOM 0 H VAL A 35 -5.390 -8.498 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.384 -6.082 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.237 -5.841 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.092 -3.955 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.328 -3.869 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.008 -4.431 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.252 -6.123 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.240 -6.698 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.335 -7.640 -0.480 1.00 0.00 H new ATOM 565 N GLU A 36 -3.822 -7.263 1.433 1.00 0.00 N ATOM 566 CA GLU A 36 -2.917 -7.185 2.577 1.00 0.00 C ATOM 567 C GLU A 36 -1.519 -7.570 2.137 1.00 0.00 C ATOM 568 O GLU A 36 -0.556 -6.842 2.375 1.00 0.00 O ATOM 569 CB GLU A 36 -3.375 -8.105 3.712 1.00 0.00 C ATOM 570 CG GLU A 36 -2.617 -7.890 5.012 1.00 0.00 C ATOM 571 CD GLU A 36 -1.480 -8.877 5.193 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.904 -9.313 4.174 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.167 -9.214 6.354 1.00 0.00 O ATOM 0 H GLU A 36 -4.443 -8.072 1.439 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.921 -6.161 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.439 -7.946 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.256 -9.142 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.219 -6.875 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.308 -7.979 5.850 1.00 0.00 H new ATOM 580 N LYS A 37 -1.421 -8.706 1.453 1.00 0.00 N ATOM 581 CA LYS A 37 -0.144 -9.165 0.936 1.00 0.00 C ATOM 582 C LYS A 37 0.388 -8.119 -0.028 1.00 0.00 C ATOM 583 O LYS A 37 1.596 -7.932 -0.168 1.00 0.00 O ATOM 584 CB LYS A 37 -0.295 -10.514 0.232 1.00 0.00 C ATOM 585 CG LYS A 37 -0.827 -11.616 1.134 1.00 0.00 C ATOM 586 CD LYS A 37 -1.064 -12.903 0.361 1.00 0.00 C ATOM 587 CE LYS A 37 -0.705 -14.125 1.191 1.00 0.00 C ATOM 588 NZ LYS A 37 0.724 -14.508 1.025 1.00 0.00 N ATOM 0 H LYS A 37 -2.209 -9.320 1.247 1.00 0.00 H new ATOM 0 HA LYS A 37 0.556 -9.302 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.966 -10.397 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.674 -10.817 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.118 -11.801 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.759 -11.291 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.110 -12.961 0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.470 -12.895 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.907 -13.922 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.341 -14.961 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.929 -15.345 1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.911 -14.727 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.332 -13.720 1.326 1.00 0.00 H new ATOM 602 N GLU A 38 -0.545 -7.418 -0.672 1.00 0.00 N ATOM 603 CA GLU A 38 -0.207 -6.363 -1.600 1.00 0.00 C ATOM 604 C GLU A 38 -0.090 -5.024 -0.867 1.00 0.00 C ATOM 605 O GLU A 38 -0.028 -3.967 -1.485 1.00 0.00 O ATOM 606 CB GLU A 38 -1.272 -6.287 -2.692 1.00 0.00 C ATOM 607 CG GLU A 38 -1.068 -7.294 -3.812 1.00 0.00 C ATOM 608 CD GLU A 38 -0.952 -8.717 -3.299 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.116 -9.066 -2.754 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.929 -9.480 -3.443 1.00 0.00 O ATOM 0 H GLU A 38 -1.547 -7.571 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 38 0.757 -6.582 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.252 -6.448 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.276 -5.282 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.902 -7.230 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.166 -7.037 -4.368 1.00 0.00 H new ATOM 617 N LEU A 39 -0.046 -5.082 0.461 1.00 0.00 N ATOM 618 CA LEU A 39 0.086 -3.883 1.275 1.00 0.00 C ATOM 619 C LEU A 39 1.450 -3.878 1.947 1.00 0.00 C ATOM 620 O LEU A 39 2.072 -2.828 2.114 1.00 0.00 O ATOM 621 CB LEU A 39 -1.029 -3.818 2.324 1.00 0.00 C ATOM 622 CG LEU A 39 -1.863 -2.534 2.302 1.00 0.00 C ATOM 623 CD1 LEU A 39 -3.252 -2.806 1.746 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.956 -1.932 3.697 1.00 0.00 C ATOM 0 H LEU A 39 -0.100 -5.949 0.995 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.003 -3.005 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.695 -4.669 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.584 -3.928 3.313 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.367 -1.816 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.829 -1.881 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.168 -3.189 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.756 -3.543 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.552 -1.020 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.427 -2.647 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.955 -1.697 4.059 1.00 0.00 H new ATOM 636 N LEU A 40 1.920 -5.068 2.309 1.00 0.00 N ATOM 637 CA LEU A 40 3.222 -5.213 2.937 1.00 0.00 C ATOM 638 C LEU A 40 4.322 -5.002 1.903 1.00 0.00 C ATOM 639 O LEU A 40 5.432 -4.590 2.237 1.00 0.00 O ATOM 640 CB LEU A 40 3.358 -6.597 3.575 1.00 0.00 C ATOM 641 CG LEU A 40 2.572 -6.791 4.873 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.108 -8.233 5.005 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.419 -6.391 6.072 1.00 0.00 C ATOM 0 H LEU A 40 1.415 -5.945 2.177 1.00 0.00 H new ATOM 0 HA LEU A 40 3.319 -4.461 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.031 -7.346 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.413 -6.786 3.775 1.00 0.00 H new ATOM 0 HG LEU A 40 1.692 -6.149 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.551 -8.352 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.466 -8.487 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.974 -8.895 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.845 -6.535 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.317 -7.008 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.703 -5.342 5.983 1.00 0.00 H new ATOM 655 N ARG A 41 4.001 -5.281 0.639 1.00 0.00 N ATOM 656 CA ARG A 41 4.958 -5.112 -0.444 1.00 0.00 C ATOM 657 C ARG A 41 5.308 -3.638 -0.617 1.00 0.00 C ATOM 658 O ARG A 41 6.469 -3.286 -0.822 1.00 0.00 O ATOM 659 CB ARG A 41 4.389 -5.672 -1.750 1.00 0.00 C ATOM 660 CG ARG A 41 4.657 -7.155 -1.942 1.00 0.00 C ATOM 661 CD ARG A 41 5.967 -7.395 -2.676 1.00 0.00 C ATOM 662 NE ARG A 41 6.489 -8.738 -2.438 1.00 0.00 N ATOM 663 CZ ARG A 41 7.120 -9.103 -1.324 1.00 0.00 C ATOM 664 NH1 ARG A 41 7.307 -8.229 -0.344 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.562 -10.346 -1.190 1.00 0.00 N ATOM 0 H ARG A 41 3.087 -5.624 0.345 1.00 0.00 H new ATOM 0 HA ARG A 41 5.865 -5.662 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.313 -5.500 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.817 -5.122 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.687 -7.649 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.837 -7.604 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.815 -7.249 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.703 -6.658 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 41 6.363 -9.438 -3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.967 -7.272 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.791 -8.513 0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.418 -11.022 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.046 -10.626 -0.337 1.00 0.00 H new ATOM 679 N VAL A 42 4.296 -2.780 -0.524 1.00 0.00 N ATOM 680 CA VAL A 42 4.499 -1.344 -0.661 1.00 0.00 C ATOM 681 C VAL A 42 5.442 -0.823 0.419 1.00 0.00 C ATOM 682 O VAL A 42 6.095 0.206 0.243 1.00 0.00 O ATOM 683 CB VAL A 42 3.161 -0.579 -0.590 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.386 0.918 -0.738 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.202 -1.085 -1.656 1.00 0.00 C ATOM 0 H VAL A 42 3.329 -3.055 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 42 4.947 -1.173 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 42 2.716 -0.759 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.429 1.437 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.034 1.270 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.856 1.122 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.263 -0.535 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.643 -0.937 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.012 -2.147 -1.500 1.00 0.00 H new ATOM 695 N GLY A 43 5.516 -1.547 1.530 1.00 0.00 N ATOM 696 CA GLY A 43 6.392 -1.150 2.616 1.00 0.00 C ATOM 697 C GLY A 43 7.812 -1.618 2.386 1.00 0.00 C ATOM 698 O GLY A 43 8.768 -0.938 2.759 1.00 0.00 O ATOM 0 H GLY A 43 4.985 -2.402 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.378 -0.065 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.020 -1.563 3.554 1.00 0.00 H new ATOM 702 N GLN A 44 7.948 -2.781 1.758 1.00 0.00 N ATOM 703 CA GLN A 44 9.258 -3.341 1.461 1.00 0.00 C ATOM 704 C GLN A 44 9.936 -2.541 0.355 1.00 0.00 C ATOM 705 O GLN A 44 11.162 -2.438 0.310 1.00 0.00 O ATOM 706 CB GLN A 44 9.131 -4.807 1.045 1.00 0.00 C ATOM 707 CG GLN A 44 9.229 -5.780 2.208 1.00 0.00 C ATOM 708 CD GLN A 44 9.495 -7.203 1.758 1.00 0.00 C ATOM 709 OE1 GLN A 44 8.759 -8.126 2.107 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.554 -7.388 0.977 1.00 0.00 N ATOM 0 H GLN A 44 7.164 -3.354 1.445 1.00 0.00 H new ATOM 0 HA GLN A 44 9.869 -3.285 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.175 -4.951 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.912 -5.039 0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.027 -5.460 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.302 -5.751 2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.137 -6.594 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.784 -8.324 0.642 1.00 0.00 H new ATOM 719 N ILE A 45 9.127 -1.968 -0.533 1.00 0.00 N ATOM 720 CA ILE A 45 9.646 -1.169 -1.634 1.00 0.00 C ATOM 721 C ILE A 45 10.441 0.019 -1.103 1.00 0.00 C ATOM 722 O ILE A 45 11.440 0.424 -1.696 1.00 0.00 O ATOM 723 CB ILE A 45 8.500 -0.673 -2.546 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.798 -1.864 -3.199 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.015 0.286 -3.615 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.373 -1.574 -3.615 1.00 0.00 C ATOM 0 H ILE A 45 8.110 -2.044 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 45 10.308 -1.802 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 45 7.786 -0.130 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.367 -2.175 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.801 -2.703 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.184 0.616 -4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.475 1.151 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.754 -0.222 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.939 -2.464 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.788 -1.292 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.364 -0.756 -4.336 1.00 0.00 H new ATOM 738 N LEU A 46 9.997 0.566 0.023 1.00 0.00 N ATOM 739 CA LEU A 46 10.679 1.697 0.636 1.00 0.00 C ATOM 740 C LEU A 46 11.870 1.220 1.458 1.00 0.00 C ATOM 741 O LEU A 46 12.843 1.949 1.643 1.00 0.00 O ATOM 742 CB LEU A 46 9.712 2.489 1.517 1.00 0.00 C ATOM 743 CG LEU A 46 8.422 2.939 0.824 1.00 0.00 C ATOM 744 CD1 LEU A 46 7.711 3.990 1.660 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.719 3.478 -0.570 1.00 0.00 C ATOM 0 H LEU A 46 9.171 0.245 0.528 1.00 0.00 H new ATOM 0 HA LEU A 46 11.043 2.350 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.448 1.878 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.229 3.371 1.896 1.00 0.00 H new ATOM 0 HG LEU A 46 7.767 2.074 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.796 4.300 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.463 3.572 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.363 4.853 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.789 3.792 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.394 4.331 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.187 2.697 -1.170 1.00 0.00 H new ATOM 757 N LYS A 47 11.790 -0.017 1.941 1.00 0.00 N ATOM 758 CA LYS A 47 12.863 -0.600 2.732 1.00 0.00 C ATOM 759 C LYS A 47 14.006 -1.050 1.828 1.00 0.00 C ATOM 760 O LYS A 47 15.166 -1.057 2.236 1.00 0.00 O ATOM 761 CB LYS A 47 12.342 -1.785 3.547 1.00 0.00 C ATOM 762 CG LYS A 47 13.219 -2.137 4.737 1.00 0.00 C ATOM 763 CD LYS A 47 13.229 -3.634 4.998 1.00 0.00 C ATOM 764 CE LYS A 47 14.447 -4.300 4.378 1.00 0.00 C ATOM 765 NZ LYS A 47 15.662 -4.133 5.223 1.00 0.00 N ATOM 0 H LYS A 47 10.991 -0.634 1.797 1.00 0.00 H new ATOM 0 HA LYS A 47 13.236 0.160 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.337 -1.557 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.261 -2.655 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.237 -1.792 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.859 -1.615 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.221 -3.817 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.322 -4.081 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.247 -5.362 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.630 -3.875 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.470 -4.601 4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.868 -3.120 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.497 -4.561 6.156 1.00 0.00 H new ATOM 779 N GLU A 48 13.667 -1.421 0.594 1.00 0.00 N ATOM 780 CA GLU A 48 14.666 -1.866 -0.369 1.00 0.00 C ATOM 781 C GLU A 48 15.707 -0.772 -0.611 1.00 0.00 C ATOM 782 O GLU A 48 15.402 0.258 -1.210 1.00 0.00 O ATOM 783 CB GLU A 48 13.991 -2.245 -1.688 1.00 0.00 C ATOM 784 CG GLU A 48 13.776 -3.741 -1.854 1.00 0.00 C ATOM 785 CD GLU A 48 13.676 -4.158 -3.308 1.00 0.00 C ATOM 786 OE1 GLU A 48 14.712 -4.131 -4.007 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.563 -4.513 -3.749 1.00 0.00 O ATOM 0 H GLU A 48 12.710 -1.421 0.241 1.00 0.00 H new ATOM 0 HA GLU A 48 15.172 -2.741 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.028 -1.739 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.599 -1.880 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.599 -4.277 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.865 -4.033 -1.333 1.00 0.00 H new ATOM 794 N PRO A 49 16.953 -0.974 -0.144 1.00 0.00 N ATOM 795 CA PRO A 49 18.025 0.011 -0.315 1.00 0.00 C ATOM 796 C PRO A 49 18.169 0.470 -1.763 1.00 0.00 C ATOM 797 O PRO A 49 18.465 1.636 -2.027 1.00 0.00 O ATOM 798 CB PRO A 49 19.277 -0.743 0.135 1.00 0.00 C ATOM 799 CG PRO A 49 18.776 -1.772 1.087 1.00 0.00 C ATOM 800 CD PRO A 49 17.414 -2.171 0.587 1.00 0.00 C ATOM 0 HA PRO A 49 17.833 0.922 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.789 -1.202 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.991 -0.074 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.446 -2.631 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.718 -1.372 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.465 -3.044 -0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.743 -2.424 1.408 1.00 0.00 H new ATOM 808 N LYS A 50 17.953 -0.450 -2.697 1.00 0.00 N ATOM 809 CA LYS A 50 18.054 -0.132 -4.116 1.00 0.00 C ATOM 810 C LYS A 50 16.734 0.426 -4.649 1.00 0.00 C ATOM 811 O LYS A 50 16.602 0.697 -5.841 1.00 0.00 O ATOM 812 CB LYS A 50 18.451 -1.377 -4.911 1.00 0.00 C ATOM 813 CG LYS A 50 19.954 -1.562 -5.041 1.00 0.00 C ATOM 814 CD LYS A 50 20.537 -2.258 -3.822 1.00 0.00 C ATOM 815 CE LYS A 50 21.665 -3.203 -4.206 1.00 0.00 C ATOM 816 NZ LYS A 50 21.195 -4.611 -4.318 1.00 0.00 N ATOM 0 H LYS A 50 17.707 -1.420 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 50 18.823 0.631 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.025 -2.257 -4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.013 -1.317 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.174 -2.146 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.431 -0.591 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.909 -1.512 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.753 -2.815 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.096 -2.887 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.458 -3.143 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.993 -5.224 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.807 -4.921 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.456 -4.673 -5.047 1.00 0.00 H new ATOM 830 N MET A 51 15.759 0.592 -3.757 1.00 0.00 N ATOM 831 CA MET A 51 14.452 1.111 -4.141 1.00 0.00 C ATOM 832 C MET A 51 14.120 2.392 -3.376 1.00 0.00 C ATOM 833 O MET A 51 13.395 3.251 -3.877 1.00 0.00 O ATOM 834 CB MET A 51 13.375 0.058 -3.886 1.00 0.00 C ATOM 835 CG MET A 51 12.005 0.446 -4.415 1.00 0.00 C ATOM 836 SD MET A 51 12.027 0.845 -6.174 1.00 0.00 S ATOM 837 CE MET A 51 11.319 2.490 -6.156 1.00 0.00 C ATOM 0 H MET A 51 15.851 0.374 -2.765 1.00 0.00 H new ATOM 0 HA MET A 51 14.481 1.348 -5.205 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.681 -0.881 -4.348 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.303 -0.123 -2.814 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.307 -0.373 -4.241 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.634 1.305 -3.856 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.611 3.022 -7.061 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.232 2.418 -6.112 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.682 3.033 -5.283 1.00 0.00 H new ATOM 847 N ALA A 52 14.653 2.515 -2.164 1.00 0.00 N ATOM 848 CA ALA A 52 14.406 3.691 -1.339 1.00 0.00 C ATOM 849 C ALA A 52 15.035 4.933 -1.957 1.00 0.00 C ATOM 850 O ALA A 52 14.415 5.995 -2.012 1.00 0.00 O ATOM 851 CB ALA A 52 14.940 3.471 0.068 1.00 0.00 C ATOM 0 H ALA A 52 15.257 1.816 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 52 13.329 3.848 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.748 4.357 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.442 2.611 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.013 3.286 0.025 1.00 0.00 H new ATOM 857 N ALA A 53 16.271 4.794 -2.424 1.00 0.00 N ATOM 858 CA ALA A 53 16.985 5.904 -3.042 1.00 0.00 C ATOM 859 C ALA A 53 16.232 6.436 -4.257 1.00 0.00 C ATOM 860 O ALA A 53 16.384 7.598 -4.633 1.00 0.00 O ATOM 861 CB ALA A 53 18.390 5.474 -3.435 1.00 0.00 C ATOM 0 H ALA A 53 16.799 3.922 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 53 17.054 6.710 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.912 6.313 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.934 5.152 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.333 4.649 -4.145 1.00 0.00 H new ATOM 867 N SER A 54 15.423 5.577 -4.871 1.00 0.00 N ATOM 868 CA SER A 54 14.650 5.963 -6.045 1.00 0.00 C ATOM 869 C SER A 54 13.356 6.665 -5.644 1.00 0.00 C ATOM 870 O SER A 54 13.084 7.783 -6.081 1.00 0.00 O ATOM 871 CB SER A 54 14.330 4.732 -6.896 1.00 0.00 C ATOM 872 OG SER A 54 14.095 5.092 -8.246 1.00 0.00 O ATOM 0 H SER A 54 15.287 4.611 -4.575 1.00 0.00 H new ATOM 0 HA SER A 54 15.252 6.659 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.158 4.025 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.453 4.226 -6.493 1.00 0.00 H new ATOM 0 HG SER A 54 13.895 4.288 -8.769 1.00 0.00 H new ATOM 878 N LEU A 55 12.561 6.001 -4.811 1.00 0.00 N ATOM 879 CA LEU A 55 11.294 6.560 -4.354 1.00 0.00 C ATOM 880 C LEU A 55 11.517 7.826 -3.532 1.00 0.00 C ATOM 881 O LEU A 55 10.669 8.718 -3.505 1.00 0.00 O ATOM 882 CB LEU A 55 10.528 5.526 -3.524 1.00 0.00 C ATOM 883 CG LEU A 55 9.502 4.701 -4.304 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.430 3.283 -3.758 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.134 5.365 -4.251 1.00 0.00 C ATOM 0 H LEU A 55 12.772 5.075 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 55 10.705 6.822 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.246 4.846 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.015 6.042 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 55 9.820 4.651 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.695 2.712 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.407 2.808 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.136 3.312 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.416 4.765 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.809 5.446 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.196 6.361 -4.690 1.00 0.00 H new ATOM 897 N LEU A 56 12.661 7.896 -2.858 1.00 0.00 N ATOM 898 CA LEU A 56 12.991 9.052 -2.033 1.00 0.00 C ATOM 899 C LEU A 56 13.664 10.146 -2.857 1.00 0.00 C ATOM 900 O LEU A 56 13.605 11.324 -2.504 1.00 0.00 O ATOM 901 CB LEU A 56 13.903 8.633 -0.878 1.00 0.00 C ATOM 902 CG LEU A 56 14.073 9.682 0.224 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.132 9.017 1.590 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.324 10.512 -0.022 1.00 0.00 C ATOM 0 H LEU A 56 13.374 7.167 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 56 12.061 9.453 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.505 7.721 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.886 8.388 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 56 13.209 10.347 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.253 9.778 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.208 8.466 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.977 8.329 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.431 11.253 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.198 9.860 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.241 11.018 -0.984 1.00 0.00 H new ATOM 916 N ASN A 57 14.306 9.752 -3.953 1.00 0.00 N ATOM 917 CA ASN A 57 14.992 10.703 -4.819 1.00 0.00 C ATOM 918 C ASN A 57 14.019 11.750 -5.362 1.00 0.00 C ATOM 919 O ASN A 57 12.870 11.437 -5.674 1.00 0.00 O ATOM 920 CB ASN A 57 15.671 9.971 -5.979 1.00 0.00 C ATOM 921 CG ASN A 57 17.179 9.927 -5.831 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.710 10.069 -4.729 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.878 9.728 -6.942 1.00 0.00 N ATOM 0 H ASN A 57 14.365 8.782 -4.261 1.00 0.00 H new ATOM 0 HA ASN A 57 15.751 11.213 -4.225 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.285 8.954 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.415 10.465 -6.916 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.896 9.688 -6.903 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.397 9.615 -7.834 1.00 0.00 H new ATOM 930 N PRO A 58 14.470 13.012 -5.487 1.00 0.00 N ATOM 931 CA PRO A 58 13.637 14.102 -5.997 1.00 0.00 C ATOM 932 C PRO A 58 13.510 14.077 -7.520 1.00 0.00 C ATOM 933 O PRO A 58 12.836 14.922 -8.108 1.00 0.00 O ATOM 934 CB PRO A 58 14.391 15.349 -5.544 1.00 0.00 C ATOM 935 CG PRO A 58 15.822 14.933 -5.521 1.00 0.00 C ATOM 936 CD PRO A 58 15.830 13.474 -5.141 1.00 0.00 C ATOM 0 HA PRO A 58 12.612 14.043 -5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.231 16.181 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.058 15.679 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.287 15.084 -6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.388 15.526 -4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.592 12.922 -5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.041 13.338 -4.080 1.00 0.00 H new ATOM 944 N TYR A 59 14.164 13.106 -8.152 1.00 0.00 N ATOM 945 CA TYR A 59 14.126 12.973 -9.603 1.00 0.00 C ATOM 946 C TYR A 59 12.901 12.179 -10.050 1.00 0.00 C ATOM 947 O TYR A 59 12.439 12.319 -11.182 1.00 0.00 O ATOM 948 CB TYR A 59 15.401 12.293 -10.101 1.00 0.00 C ATOM 949 CG TYR A 59 16.668 12.916 -9.559 1.00 0.00 C ATOM 950 CD1 TYR A 59 17.120 12.617 -8.279 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.409 13.807 -10.325 1.00 0.00 C ATOM 952 CE1 TYR A 59 18.274 13.188 -7.779 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.566 14.380 -9.832 1.00 0.00 C ATOM 954 CZ TYR A 59 18.993 14.069 -8.560 1.00 0.00 C ATOM 955 OH TYR A 59 20.144 14.639 -8.064 1.00 0.00 O ATOM 0 H TYR A 59 14.727 12.399 -7.680 1.00 0.00 H new ATOM 0 HA TYR A 59 14.060 13.972 -10.034 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.375 11.240 -9.821 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.423 12.333 -11.190 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.560 11.927 -7.665 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.076 14.056 -11.322 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.612 12.946 -6.782 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.133 15.068 -10.441 1.00 0.00 H new ATOM 0 HH TYR A 59 20.531 15.234 -8.739 1.00 0.00 H new ATOM 965 N VAL A 60 12.380 11.347 -9.153 1.00 0.00 N ATOM 966 CA VAL A 60 11.208 10.535 -9.456 1.00 0.00 C ATOM 967 C VAL A 60 9.950 11.154 -8.856 1.00 0.00 C ATOM 968 O VAL A 60 9.325 10.582 -7.963 1.00 0.00 O ATOM 969 CB VAL A 60 11.367 9.097 -8.926 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.264 8.203 -9.470 1.00 0.00 C ATOM 971 CG2 VAL A 60 12.738 8.542 -9.286 1.00 0.00 C ATOM 0 H VAL A 60 12.751 11.218 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 60 11.113 10.501 -10.541 1.00 0.00 H new ATOM 0 HB VAL A 60 11.284 9.119 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.393 7.191 -9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.294 8.590 -9.157 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.313 8.186 -10.559 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.831 7.526 -8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.854 8.534 -10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 60 13.512 9.169 -8.843 1.00 0.00 H new ATOM 981 N LYS A 61 9.589 12.333 -9.354 1.00 0.00 N ATOM 982 CA LYS A 61 8.408 13.047 -8.874 1.00 0.00 C ATOM 983 C LYS A 61 7.203 12.116 -8.756 1.00 0.00 C ATOM 984 O LYS A 61 7.228 10.986 -9.242 1.00 0.00 O ATOM 985 CB LYS A 61 8.076 14.210 -9.811 1.00 0.00 C ATOM 986 CG LYS A 61 7.625 15.467 -9.084 1.00 0.00 C ATOM 987 CD LYS A 61 6.112 15.610 -9.104 1.00 0.00 C ATOM 988 CE LYS A 61 5.658 16.583 -10.181 1.00 0.00 C ATOM 989 NZ LYS A 61 4.378 17.253 -9.821 1.00 0.00 N ATOM 0 H LYS A 61 10.099 12.817 -10.093 1.00 0.00 H new ATOM 0 HA LYS A 61 8.635 13.436 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.955 14.443 -10.412 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.292 13.898 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.975 15.437 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.080 16.341 -9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.656 14.635 -9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.765 15.956 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.430 17.336 -10.338 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.536 16.050 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.103 17.908 -10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.635 16.537 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.501 17.783 -8.935 1.00 0.00 H new ATOM 1003 N ARG A 62 6.150 12.602 -8.105 1.00 0.00 N ATOM 1004 CA ARG A 62 4.934 11.818 -7.917 1.00 0.00 C ATOM 1005 C ARG A 62 4.373 11.348 -9.255 1.00 0.00 C ATOM 1006 O ARG A 62 4.087 10.165 -9.438 1.00 0.00 O ATOM 1007 CB ARG A 62 3.883 12.640 -7.170 1.00 0.00 C ATOM 1008 CG ARG A 62 4.436 13.386 -5.966 1.00 0.00 C ATOM 1009 CD ARG A 62 3.432 13.428 -4.826 1.00 0.00 C ATOM 1010 NE ARG A 62 4.007 13.998 -3.611 1.00 0.00 N ATOM 1011 CZ ARG A 62 3.486 13.835 -2.396 1.00 0.00 C ATOM 1012 NH1 ARG A 62 2.381 13.119 -2.232 1.00 0.00 N ATOM 1013 NH2 ARG A 62 4.073 14.388 -1.344 1.00 0.00 N ATOM 0 H ARG A 62 6.115 13.537 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 62 5.188 10.940 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.439 13.358 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.083 11.977 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.352 12.903 -5.627 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.700 14.403 -6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.566 14.017 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.076 12.419 -4.619 1.00 0.00 H new ATOM 0 HE ARG A 62 4.858 14.554 -3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.927 12.690 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.986 12.997 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.923 14.938 -1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.674 14.263 -0.413 1.00 0.00 H new ATOM 1027 N SER A 63 4.216 12.283 -10.189 1.00 0.00 N ATOM 1028 CA SER A 63 3.687 11.965 -11.512 1.00 0.00 C ATOM 1029 C SER A 63 4.448 10.801 -12.140 1.00 0.00 C ATOM 1030 O SER A 63 3.856 9.786 -12.508 1.00 0.00 O ATOM 1031 CB SER A 63 3.765 13.190 -12.424 1.00 0.00 C ATOM 1032 OG SER A 63 3.230 12.909 -13.705 1.00 0.00 O ATOM 0 H SER A 63 4.448 13.267 -10.054 1.00 0.00 H new ATOM 0 HA SER A 63 2.644 11.672 -11.396 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.219 14.018 -11.973 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.803 13.508 -12.522 1.00 0.00 H new ATOM 0 HG SER A 63 3.291 13.709 -14.268 1.00 0.00 H new ATOM 1038 N VAL A 64 5.763 10.953 -12.256 1.00 0.00 N ATOM 1039 CA VAL A 64 6.603 9.913 -12.835 1.00 0.00 C ATOM 1040 C VAL A 64 6.532 8.636 -12.006 1.00 0.00 C ATOM 1041 O VAL A 64 6.615 7.531 -12.542 1.00 0.00 O ATOM 1042 CB VAL A 64 8.071 10.369 -12.937 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.910 9.322 -13.656 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.166 11.713 -13.642 1.00 0.00 C ATOM 0 H VAL A 64 6.269 11.786 -11.957 1.00 0.00 H new ATOM 0 HA VAL A 64 6.225 9.716 -13.838 1.00 0.00 H new ATOM 0 HB VAL A 64 8.465 10.485 -11.927 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.943 9.663 -13.718 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.870 8.383 -13.105 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.518 9.169 -14.661 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.211 12.018 -13.704 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.753 11.627 -14.647 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.603 12.459 -13.081 1.00 0.00 H new ATOM 1054 N LYS A 65 6.373 8.795 -10.698 1.00 0.00 N ATOM 1055 CA LYS A 65 6.284 7.655 -9.795 1.00 0.00 C ATOM 1056 C LYS A 65 4.972 6.903 -10.001 1.00 0.00 C ATOM 1057 O LYS A 65 4.881 5.708 -9.722 1.00 0.00 O ATOM 1058 CB LYS A 65 6.404 8.117 -8.340 1.00 0.00 C ATOM 1059 CG LYS A 65 6.222 7.002 -7.319 1.00 0.00 C ATOM 1060 CD LYS A 65 7.062 5.781 -7.660 1.00 0.00 C ATOM 1061 CE LYS A 65 8.549 6.084 -7.580 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.341 5.220 -8.497 1.00 0.00 N ATOM 0 H LYS A 65 6.303 9.703 -10.239 1.00 0.00 H new ATOM 0 HA LYS A 65 7.108 6.978 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.383 8.573 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.660 8.892 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.497 7.367 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.170 6.719 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.818 4.969 -6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.814 5.437 -8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.720 7.131 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.894 5.940 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.351 5.296 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.035 4.231 -8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.192 5.528 -9.479 1.00 0.00 H new ATOM 1076 N VAL A 66 3.956 7.608 -10.493 1.00 0.00 N ATOM 1077 CA VAL A 66 2.656 6.998 -10.732 1.00 0.00 C ATOM 1078 C VAL A 66 2.723 6.003 -11.884 1.00 0.00 C ATOM 1079 O VAL A 66 1.991 5.014 -11.906 1.00 0.00 O ATOM 1080 CB VAL A 66 1.579 8.055 -11.039 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.202 7.412 -11.114 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.603 9.162 -9.995 1.00 0.00 C ATOM 0 H VAL A 66 4.010 8.598 -10.732 1.00 0.00 H new ATOM 0 HA VAL A 66 2.381 6.474 -9.816 1.00 0.00 H new ATOM 0 HB VAL A 66 1.799 8.498 -12.010 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.545 8.176 -11.332 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.194 6.661 -11.904 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.031 6.938 -10.160 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.835 9.899 -10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.410 8.737 -9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.581 9.643 -9.998 1.00 0.00 H new ATOM 1092 N LYS A 67 3.615 6.259 -12.834 1.00 0.00 N ATOM 1093 CA LYS A 67 3.781 5.367 -13.973 1.00 0.00 C ATOM 1094 C LYS A 67 4.764 4.254 -13.633 1.00 0.00 C ATOM 1095 O LYS A 67 4.714 3.168 -14.209 1.00 0.00 O ATOM 1096 CB LYS A 67 4.266 6.144 -15.199 1.00 0.00 C ATOM 1097 CG LYS A 67 3.694 5.631 -16.510 1.00 0.00 C ATOM 1098 CD LYS A 67 2.241 6.043 -16.682 1.00 0.00 C ATOM 1099 CE LYS A 67 1.912 6.329 -18.139 1.00 0.00 C ATOM 1100 NZ LYS A 67 1.971 7.785 -18.445 1.00 0.00 N ATOM 0 H LYS A 67 4.231 7.072 -12.838 1.00 0.00 H new ATOM 0 HA LYS A 67 2.813 4.922 -14.206 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.999 7.194 -15.082 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.354 6.095 -15.243 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.284 6.017 -17.341 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.771 4.544 -16.542 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.591 5.251 -16.310 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.040 6.930 -16.081 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.612 5.794 -18.781 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.916 5.950 -18.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.741 7.939 -19.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.285 8.293 -17.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.928 8.142 -18.251 1.00 0.00 H new ATOM 1114 N SER A 68 5.650 4.531 -12.681 1.00 0.00 N ATOM 1115 CA SER A 68 6.636 3.552 -12.249 1.00 0.00 C ATOM 1116 C SER A 68 6.030 2.597 -11.227 1.00 0.00 C ATOM 1117 O SER A 68 6.477 1.459 -11.086 1.00 0.00 O ATOM 1118 CB SER A 68 7.856 4.255 -11.650 1.00 0.00 C ATOM 1119 OG SER A 68 8.646 3.353 -10.895 1.00 0.00 O ATOM 0 H SER A 68 5.704 5.426 -12.195 1.00 0.00 H new ATOM 0 HA SER A 68 6.952 2.977 -13.119 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.458 4.689 -12.449 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.529 5.077 -11.014 1.00 0.00 H new ATOM 0 HG SER A 68 9.496 3.781 -10.659 1.00 0.00 H new ATOM 1125 N LEU A 69 5.006 3.065 -10.513 1.00 0.00 N ATOM 1126 CA LEU A 69 4.346 2.241 -9.507 1.00 0.00 C ATOM 1127 C LEU A 69 3.446 1.196 -10.159 1.00 0.00 C ATOM 1128 O LEU A 69 3.207 0.132 -9.592 1.00 0.00 O ATOM 1129 CB LEU A 69 3.537 3.111 -8.531 1.00 0.00 C ATOM 1130 CG LEU A 69 2.450 3.996 -9.148 1.00 0.00 C ATOM 1131 CD1 LEU A 69 1.321 3.160 -9.737 1.00 0.00 C ATOM 1132 CD2 LEU A 69 1.905 4.956 -8.099 1.00 0.00 C ATOM 0 H LEU A 69 4.620 4.004 -10.613 1.00 0.00 H new ATOM 0 HA LEU A 69 5.121 1.721 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.068 2.455 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.232 3.752 -7.988 1.00 0.00 H new ATOM 0 HG LEU A 69 2.899 4.568 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.566 3.819 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.719 2.508 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.869 2.554 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.132 5.582 -8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.479 4.388 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.713 5.586 -7.728 1.00 0.00 H new ATOM 1144 N SER A 70 2.949 1.507 -11.352 1.00 0.00 N ATOM 1145 CA SER A 70 2.072 0.595 -12.077 1.00 0.00 C ATOM 1146 C SER A 70 2.878 -0.452 -12.834 1.00 0.00 C ATOM 1147 O SER A 70 2.414 -1.573 -13.042 1.00 0.00 O ATOM 1148 CB SER A 70 1.180 1.371 -13.046 1.00 0.00 C ATOM 1149 OG SER A 70 0.219 0.520 -13.647 1.00 0.00 O ATOM 0 H SER A 70 3.139 2.384 -11.837 1.00 0.00 H new ATOM 0 HA SER A 70 1.443 0.083 -11.349 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.675 2.177 -12.514 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.794 1.835 -13.818 1.00 0.00 H new ATOM 0 HG SER A 70 -0.340 1.040 -14.261 1.00 0.00 H new ATOM 1155 N ASP A 71 4.088 -0.087 -13.240 1.00 0.00 N ATOM 1156 CA ASP A 71 4.953 -1.008 -13.964 1.00 0.00 C ATOM 1157 C ASP A 71 5.760 -1.845 -12.986 1.00 0.00 C ATOM 1158 O ASP A 71 6.038 -3.018 -13.236 1.00 0.00 O ATOM 1159 CB ASP A 71 5.885 -0.245 -14.905 1.00 0.00 C ATOM 1160 CG ASP A 71 6.137 -0.991 -16.201 1.00 0.00 C ATOM 1161 OD1 ASP A 71 6.063 -2.238 -16.192 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.407 -0.329 -17.225 1.00 0.00 O ATOM 0 H ASP A 71 4.491 0.837 -13.081 1.00 0.00 H new ATOM 0 HA ASP A 71 4.329 -1.671 -14.563 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.452 0.730 -15.129 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.835 -0.064 -14.403 1.00 0.00 H new ATOM 1167 N MET A 72 6.119 -1.240 -11.860 1.00 0.00 N ATOM 1168 CA MET A 72 6.876 -1.941 -10.836 1.00 0.00 C ATOM 1169 C MET A 72 5.962 -2.881 -10.066 1.00 0.00 C ATOM 1170 O MET A 72 6.412 -3.893 -9.529 1.00 0.00 O ATOM 1171 CB MET A 72 7.556 -0.946 -9.886 1.00 0.00 C ATOM 1172 CG MET A 72 6.652 -0.427 -8.777 1.00 0.00 C ATOM 1173 SD MET A 72 7.401 0.926 -7.849 1.00 0.00 S ATOM 1174 CE MET A 72 6.090 1.304 -6.688 1.00 0.00 C ATOM 0 H MET A 72 5.898 -0.270 -11.636 1.00 0.00 H new ATOM 0 HA MET A 72 7.656 -2.530 -11.320 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.425 -1.426 -9.436 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.924 -0.100 -10.466 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.710 -0.089 -9.209 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.415 -1.243 -8.095 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.734 2.320 -6.859 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.267 0.603 -6.828 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.470 1.219 -5.670 1.00 0.00 H new ATOM 1184 N THR A 73 4.672 -2.552 -10.023 1.00 0.00 N ATOM 1185 CA THR A 73 3.720 -3.396 -9.326 1.00 0.00 C ATOM 1186 C THR A 73 3.626 -4.748 -10.010 1.00 0.00 C ATOM 1187 O THR A 73 3.413 -5.771 -9.357 1.00 0.00 O ATOM 1188 CB THR A 73 2.338 -2.753 -9.256 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.512 -3.505 -8.404 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.627 -2.668 -10.580 1.00 0.00 C ATOM 0 H THR A 73 4.273 -1.720 -10.457 1.00 0.00 H new ATOM 0 HA THR A 73 4.079 -3.526 -8.305 1.00 0.00 H new ATOM 0 HB THR A 73 2.512 -1.739 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.980 -3.674 -7.560 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.653 -2.199 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.221 -2.073 -11.274 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.492 -3.671 -10.985 1.00 0.00 H new ATOM 1198 N ALA A 74 3.802 -4.754 -11.329 1.00 0.00 N ATOM 1199 CA ALA A 74 3.753 -5.994 -12.085 1.00 0.00 C ATOM 1200 C ALA A 74 4.693 -7.022 -11.468 1.00 0.00 C ATOM 1201 O ALA A 74 4.479 -8.229 -11.589 1.00 0.00 O ATOM 1202 CB ALA A 74 4.111 -5.745 -13.542 1.00 0.00 C ATOM 0 H ALA A 74 3.978 -3.920 -11.889 1.00 0.00 H new ATOM 0 HA ALA A 74 2.737 -6.387 -12.047 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.069 -6.685 -14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.403 -5.039 -13.975 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.118 -5.333 -13.604 1.00 0.00 H new ATOM 1208 N LYS A 75 5.735 -6.532 -10.797 1.00 0.00 N ATOM 1209 CA LYS A 75 6.703 -7.407 -10.152 1.00 0.00 C ATOM 1210 C LYS A 75 6.494 -7.447 -8.639 1.00 0.00 C ATOM 1211 O LYS A 75 6.980 -8.356 -7.967 1.00 0.00 O ATOM 1212 CB LYS A 75 8.128 -6.950 -10.471 1.00 0.00 C ATOM 1213 CG LYS A 75 8.695 -7.568 -11.738 1.00 0.00 C ATOM 1214 CD LYS A 75 8.082 -6.949 -12.983 1.00 0.00 C ATOM 1215 CE LYS A 75 6.941 -7.795 -13.522 1.00 0.00 C ATOM 1216 NZ LYS A 75 7.401 -8.744 -14.573 1.00 0.00 N ATOM 0 H LYS A 75 5.927 -5.536 -10.688 1.00 0.00 H new ATOM 0 HA LYS A 75 6.554 -8.414 -10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.139 -5.865 -10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.777 -7.201 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.776 -7.432 -11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.509 -8.642 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.716 -5.949 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.848 -6.838 -13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.485 -8.353 -12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.169 -7.144 -13.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.593 -9.302 -14.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.813 -8.211 -15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.119 -9.382 -14.174 1.00 0.00 H new ATOM 1230 N GLU A 76 5.769 -6.465 -8.104 1.00 0.00 N ATOM 1231 CA GLU A 76 5.510 -6.415 -6.672 1.00 0.00 C ATOM 1232 C GLU A 76 4.429 -7.419 -6.284 1.00 0.00 C ATOM 1233 O GLU A 76 4.685 -8.352 -5.523 1.00 0.00 O ATOM 1234 CB GLU A 76 5.092 -5.004 -6.255 1.00 0.00 C ATOM 1235 CG GLU A 76 5.764 -4.526 -4.980 1.00 0.00 C ATOM 1236 CD GLU A 76 7.174 -4.022 -5.218 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.366 -3.215 -6.152 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.087 -4.435 -4.472 1.00 0.00 O ATOM 0 H GLU A 76 5.355 -5.701 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 76 6.430 -6.678 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.327 -4.310 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.011 -4.979 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.167 -3.729 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.791 -5.343 -4.259 1.00 0.00 H new ATOM 1245 N LYS A 77 3.223 -7.219 -6.821 1.00 0.00 N ATOM 1246 CA LYS A 77 2.085 -8.103 -6.546 1.00 0.00 C ATOM 1247 C LYS A 77 0.761 -7.392 -6.816 1.00 0.00 C ATOM 1248 O LYS A 77 -0.209 -8.012 -7.250 1.00 0.00 O ATOM 1249 CB LYS A 77 2.107 -8.597 -5.093 1.00 0.00 C ATOM 1250 CG LYS A 77 2.609 -10.024 -4.943 1.00 0.00 C ATOM 1251 CD LYS A 77 1.501 -11.033 -5.193 1.00 0.00 C ATOM 1252 CE LYS A 77 1.868 -12.408 -4.659 1.00 0.00 C ATOM 1253 NZ LYS A 77 1.383 -12.611 -3.265 1.00 0.00 N ATOM 0 H LYS A 77 3.008 -6.448 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 77 2.173 -8.960 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.739 -7.934 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.101 -8.529 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.426 -10.199 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.012 -10.166 -3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.582 -10.691 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.302 -11.098 -6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.442 -13.174 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.951 -12.532 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.654 -13.560 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.809 -11.896 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.347 -12.519 -3.241 1.00 0.00 H new ATOM 1267 N PHE A 78 0.724 -6.089 -6.542 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.483 -5.292 -6.739 1.00 0.00 C ATOM 1269 C PHE A 78 -1.049 -5.457 -8.126 1.00 0.00 C ATOM 1270 O PHE A 78 -0.560 -6.253 -8.928 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.213 -3.806 -6.509 1.00 0.00 C ATOM 1272 CG PHE A 78 0.866 -3.549 -5.521 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.808 -4.115 -4.265 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.951 -2.768 -5.861 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.828 -3.903 -3.358 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.967 -2.546 -4.964 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.910 -3.114 -3.707 1.00 0.00 C ATOM 0 H PHE A 78 1.520 -5.562 -6.182 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.205 -5.657 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.055 -3.342 -7.458 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.130 -3.326 -6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.038 -4.727 -3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.002 -2.326 -6.845 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.781 -4.353 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.809 -1.929 -5.241 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.707 -2.943 -2.999 1.00 0.00 H new ATOM 1287 N SER A 79 -2.079 -4.663 -8.387 1.00 0.00 N ATOM 1288 CA SER A 79 -2.767 -4.637 -9.668 1.00 0.00 C ATOM 1289 C SER A 79 -4.281 -4.640 -9.483 1.00 0.00 C ATOM 1290 O SER A 79 -4.997 -3.960 -10.217 1.00 0.00 O ATOM 1291 CB SER A 79 -2.366 -5.812 -10.570 1.00 0.00 C ATOM 1292 OG SER A 79 -3.218 -5.903 -11.699 1.00 0.00 O ATOM 0 H SER A 79 -2.464 -4.010 -7.704 1.00 0.00 H new ATOM 0 HA SER A 79 -2.463 -3.711 -10.156 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.334 -5.687 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.409 -6.741 -10.002 1.00 0.00 H new ATOM 0 HG SER A 79 -2.940 -6.658 -12.258 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.806 -5.443 -8.542 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.231 -5.551 -8.329 1.00 0.00 C ATOM 1300 C PRO A 80 -6.780 -4.731 -7.169 1.00 0.00 C ATOM 1301 O PRO A 80 -7.471 -3.735 -7.393 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.393 -7.045 -8.064 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.084 -7.488 -7.464 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.086 -6.364 -7.663 1.00 0.00 C ATOM 0 HA PRO A 80 -6.791 -5.157 -9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.222 -7.236 -7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.606 -7.587 -8.985 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.204 -7.710 -6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.733 -8.402 -7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.814 -5.892 -6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.162 -6.719 -8.119 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.499 -5.136 -5.935 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.011 -4.396 -4.793 1.00 0.00 C ATOM 1314 C LEU A 81 -5.947 -3.462 -4.265 1.00 0.00 C ATOM 1315 O LEU A 81 -6.097 -2.844 -3.213 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.504 -5.350 -3.712 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.881 -5.956 -4.004 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -8.777 -7.461 -4.173 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.876 -5.602 -2.906 1.00 0.00 C ATOM 0 H LEU A 81 -5.933 -5.953 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.863 -3.795 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.780 -6.156 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.546 -4.818 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.248 -5.531 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.765 -7.873 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.108 -7.689 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.383 -7.904 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.845 -6.044 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.518 -5.990 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.977 -4.519 -2.842 1.00 0.00 H new ATOM 1331 N THR A 82 -4.875 -3.362 -5.029 1.00 0.00 N ATOM 1332 CA THR A 82 -3.769 -2.509 -4.689 1.00 0.00 C ATOM 1333 C THR A 82 -3.439 -1.577 -5.848 1.00 0.00 C ATOM 1334 O THR A 82 -2.564 -0.722 -5.731 1.00 0.00 O ATOM 1335 CB THR A 82 -2.564 -3.355 -4.320 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.915 -4.727 -4.251 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.955 -2.964 -2.992 1.00 0.00 C ATOM 0 H THR A 82 -4.754 -3.874 -5.903 1.00 0.00 H new ATOM 0 HA THR A 82 -4.043 -1.896 -3.831 1.00 0.00 H new ATOM 0 HB THR A 82 -1.829 -3.180 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.486 -4.880 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.098 -3.604 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.630 -1.924 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.697 -3.082 -2.203 1.00 0.00 H new ATOM 1345 N SER A 83 -4.158 -1.717 -6.968 1.00 0.00 N ATOM 1346 CA SER A 83 -3.921 -0.850 -8.112 1.00 0.00 C ATOM 1347 C SER A 83 -4.722 0.437 -7.966 1.00 0.00 C ATOM 1348 O SER A 83 -5.133 1.059 -8.946 1.00 0.00 O ATOM 1349 CB SER A 83 -4.285 -1.546 -9.420 1.00 0.00 C ATOM 1350 OG SER A 83 -4.297 -0.630 -10.502 1.00 0.00 O ATOM 0 H SER A 83 -4.894 -2.411 -7.099 1.00 0.00 H new ATOM 0 HA SER A 83 -2.858 -0.613 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.569 -2.343 -9.622 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.265 -2.014 -9.326 1.00 0.00 H new ATOM 0 HG SER A 83 -4.870 0.133 -10.278 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.913 0.822 -6.721 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.635 2.027 -6.358 1.00 0.00 C ATOM 1358 C ASN A 84 -5.001 2.550 -5.091 1.00 0.00 C ATOM 1359 O ASN A 84 -4.693 3.735 -4.964 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.120 1.733 -6.138 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.914 1.764 -7.429 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.782 2.689 -8.230 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.746 0.750 -7.637 1.00 0.00 N ATOM 0 H ASN A 84 -4.565 0.298 -5.918 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.577 2.765 -7.158 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.228 0.754 -5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.533 2.464 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.307 0.717 -8.488 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.824 0.004 -6.946 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.749 1.619 -4.178 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.081 1.933 -2.940 1.00 0.00 C ATOM 1372 C LEU A 85 -2.643 2.316 -3.253 1.00 0.00 C ATOM 1373 O LEU A 85 -2.009 3.048 -2.495 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.108 0.729 -1.993 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.940 1.072 -0.511 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.644 0.044 0.363 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.464 1.163 -0.149 1.00 0.00 C ATOM 0 H LEU A 85 -5.003 0.637 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.592 2.761 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.053 0.203 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.316 0.039 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.400 2.044 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.512 0.307 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.707 0.030 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.218 -0.942 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.363 1.408 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.981 0.206 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.990 1.940 -0.748 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.127 1.820 -4.389 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.766 2.130 -4.786 1.00 0.00 C ATOM 1391 C ILE A 86 -0.642 3.606 -5.152 1.00 0.00 C ATOM 1392 O ILE A 86 0.205 4.321 -4.615 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.287 1.237 -5.964 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.587 0.097 -5.437 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.485 2.043 -7.002 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.168 -0.901 -4.590 1.00 0.00 C ATOM 0 H ILE A 86 -2.632 1.212 -5.033 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.121 1.919 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.172 0.825 -6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.039 -0.424 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.402 0.517 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.804 1.385 -7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.156 2.827 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.360 2.494 -6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.514 -1.681 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.597 -0.394 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.966 -1.350 -5.181 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.498 4.058 -6.061 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.491 5.451 -6.489 1.00 0.00 C ATOM 1410 C ASN A 87 -2.015 6.357 -5.378 1.00 0.00 C ATOM 1411 O ASN A 87 -1.726 7.553 -5.351 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.342 5.626 -7.749 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.075 4.550 -8.784 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -2.118 3.357 -8.482 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -1.799 4.968 -10.014 1.00 0.00 N ATOM 0 H ASN A 87 -2.205 3.480 -6.515 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.463 5.733 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.397 5.609 -7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.141 6.604 -8.186 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.612 4.290 -10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.774 5.967 -10.220 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.788 5.777 -4.464 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.354 6.531 -3.351 1.00 0.00 C ATOM 1424 C LEU A 88 -2.328 6.719 -2.239 1.00 0.00 C ATOM 1425 O LEU A 88 -2.352 7.723 -1.528 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.591 5.818 -2.802 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.488 6.674 -1.906 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.874 6.060 -1.795 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.861 6.836 -0.528 1.00 0.00 C ATOM 0 H LEU A 88 -3.036 4.788 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.643 7.514 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.184 5.453 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.267 4.944 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.587 7.661 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.498 6.683 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.324 5.995 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.796 5.061 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.511 7.447 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.733 5.856 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.890 7.321 -0.625 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.427 5.752 -2.089 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.401 5.830 -1.056 1.00 0.00 C ATOM 1443 C LEU A 89 0.690 6.821 -1.445 1.00 0.00 C ATOM 1444 O LEU A 89 1.310 7.446 -0.584 1.00 0.00 O ATOM 1445 CB LEU A 89 0.209 4.451 -0.794 1.00 0.00 C ATOM 1446 CG LEU A 89 0.450 4.114 0.681 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.805 4.368 1.506 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.902 2.668 0.824 1.00 0.00 C ATOM 0 H LEU A 89 -1.387 4.911 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.876 6.182 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.449 3.694 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.158 4.384 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 89 1.239 4.764 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.610 4.122 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.086 5.418 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.618 3.746 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.070 2.442 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.132 2.005 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.828 2.520 0.269 1.00 0.00 H new ATOM 1460 N ALA A 90 0.919 6.963 -2.745 1.00 0.00 N ATOM 1461 CA ALA A 90 1.934 7.883 -3.244 1.00 0.00 C ATOM 1462 C ALA A 90 1.390 9.306 -3.350 1.00 0.00 C ATOM 1463 O ALA A 90 2.153 10.260 -3.505 1.00 0.00 O ATOM 1464 CB ALA A 90 2.453 7.413 -4.594 1.00 0.00 C ATOM 0 H ALA A 90 0.416 6.454 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 90 2.759 7.893 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.210 8.109 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.892 6.421 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.629 7.372 -5.306 1.00 0.00 H new ATOM 1470 N GLU A 91 0.069 9.444 -3.265 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.567 10.753 -3.352 1.00 0.00 C ATOM 1472 C GLU A 91 -0.535 11.464 -2.002 1.00 0.00 C ATOM 1473 O GLU A 91 -0.149 12.629 -1.912 1.00 0.00 O ATOM 1474 CB GLU A 91 -2.013 10.610 -3.831 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.655 11.929 -4.230 1.00 0.00 C ATOM 1476 CD GLU A 91 -2.663 12.143 -5.731 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.129 11.240 -6.457 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -2.203 13.213 -6.180 1.00 0.00 O ATOM 0 H GLU A 91 -0.579 8.667 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.010 11.353 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.039 9.930 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.606 10.152 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.679 11.958 -3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.119 12.749 -3.753 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.944 10.754 -0.955 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.961 11.318 0.390 1.00 0.00 C ATOM 1487 C ASN A 92 -1.033 10.215 1.443 1.00 0.00 C ATOM 1488 O ASN A 92 -1.604 10.406 2.516 1.00 0.00 O ATOM 1489 CB ASN A 92 -2.148 12.269 0.551 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.874 13.640 -0.036 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.219 14.476 0.587 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.377 13.878 -1.242 1.00 0.00 N ATOM 0 H ASN A 92 -1.268 9.788 -1.012 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.035 11.874 0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.024 11.838 0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.387 12.371 1.609 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.226 14.783 -1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.914 13.156 -1.722 1.00 0.00 H new ATOM 1499 N GLY A 93 -0.450 9.063 1.128 1.00 0.00 N ATOM 1500 CA GLY A 93 -0.460 7.950 2.059 1.00 0.00 C ATOM 1501 C GLY A 93 0.822 7.840 2.862 1.00 0.00 C ATOM 1502 O GLY A 93 0.988 6.909 3.651 1.00 0.00 O ATOM 0 H GLY A 93 0.029 8.880 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.302 8.062 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.618 7.023 1.508 1.00 0.00 H new ATOM 1506 N ARG A 94 1.732 8.791 2.668 1.00 0.00 N ATOM 1507 CA ARG A 94 3.003 8.795 3.386 1.00 0.00 C ATOM 1508 C ARG A 94 3.893 7.644 2.929 1.00 0.00 C ATOM 1509 O ARG A 94 4.150 6.708 3.686 1.00 0.00 O ATOM 1510 CB ARG A 94 2.773 8.705 4.902 1.00 0.00 C ATOM 1511 CG ARG A 94 1.490 9.373 5.385 1.00 0.00 C ATOM 1512 CD ARG A 94 1.275 10.736 4.739 1.00 0.00 C ATOM 1513 NE ARG A 94 2.524 11.480 4.591 1.00 0.00 N ATOM 1514 CZ ARG A 94 3.191 12.018 5.609 1.00 0.00 C ATOM 1515 NH1 ARG A 94 2.734 11.899 6.850 1.00 0.00 N ATOM 1516 NH2 ARG A 94 4.319 12.680 5.387 1.00 0.00 N ATOM 0 H ARG A 94 1.613 9.569 2.019 1.00 0.00 H new ATOM 0 HA ARG A 94 3.506 9.735 3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.753 7.655 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.621 9.161 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.640 8.728 5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.527 9.488 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.815 10.604 3.760 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.578 11.317 5.343 1.00 0.00 H new ATOM 0 HE ARG A 94 2.907 11.594 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.867 11.393 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.250 12.314 7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.675 12.777 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.830 13.092 6.167 1.00 0.00 H new ATOM 1530 N LEU A 95 4.371 7.720 1.690 1.00 0.00 N ATOM 1531 CA LEU A 95 5.239 6.680 1.149 1.00 0.00 C ATOM 1532 C LEU A 95 6.620 6.762 1.784 1.00 0.00 C ATOM 1533 O LEU A 95 7.613 7.080 1.129 1.00 0.00 O ATOM 1534 CB LEU A 95 5.344 6.797 -0.373 1.00 0.00 C ATOM 1535 CG LEU A 95 4.273 6.036 -1.160 1.00 0.00 C ATOM 1536 CD1 LEU A 95 4.537 6.134 -2.654 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.222 4.579 -0.722 1.00 0.00 C ATOM 0 H LEU A 95 4.173 8.486 1.046 1.00 0.00 H new ATOM 0 HA LEU A 95 4.801 5.710 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.292 7.851 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.325 6.436 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 95 3.305 6.492 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.766 5.587 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.522 7.181 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.513 5.705 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.455 4.054 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.190 4.111 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.984 4.527 0.340 1.00 0.00 H new ATOM 1549 N THR A 96 6.656 6.462 3.072 1.00 0.00 N ATOM 1550 CA THR A 96 7.882 6.476 3.855 1.00 0.00 C ATOM 1551 C THR A 96 7.641 5.718 5.150 1.00 0.00 C ATOM 1552 O THR A 96 8.471 4.924 5.592 1.00 0.00 O ATOM 1553 CB THR A 96 8.318 7.911 4.151 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.825 8.800 3.165 1.00 0.00 O ATOM 1555 CG2 THR A 96 9.820 8.076 4.210 1.00 0.00 C ATOM 0 H THR A 96 5.829 6.200 3.608 1.00 0.00 H new ATOM 0 HA THR A 96 8.681 5.996 3.289 1.00 0.00 H new ATOM 0 HB THR A 96 7.903 8.144 5.132 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.114 9.713 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.064 9.117 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.225 7.440 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.255 7.791 3.252 1.00 0.00 H new ATOM 1563 N ASN A 97 6.470 5.956 5.730 1.00 0.00 N ATOM 1564 CA ASN A 97 6.063 5.291 6.954 1.00 0.00 C ATOM 1565 C ASN A 97 5.083 4.160 6.632 1.00 0.00 C ATOM 1566 O ASN A 97 4.479 3.578 7.533 1.00 0.00 O ATOM 1567 CB ASN A 97 5.411 6.293 7.909 1.00 0.00 C ATOM 1568 CG ASN A 97 6.433 7.108 8.676 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.975 6.656 9.684 1.00 0.00 O ATOM 1570 ND2 ASN A 97 6.701 8.319 8.201 1.00 0.00 N ATOM 0 H ASN A 97 5.781 6.613 5.364 1.00 0.00 H new ATOM 0 HA ASN A 97 6.945 4.871 7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.766 6.964 7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.774 5.758 8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.380 8.914 8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.228 8.654 7.362 1.00 0.00 H new ATOM 1577 N THR A 98 4.930 3.864 5.334 1.00 0.00 N ATOM 1578 CA THR A 98 4.025 2.812 4.863 1.00 0.00 C ATOM 1579 C THR A 98 3.934 1.634 5.838 1.00 0.00 C ATOM 1580 O THR A 98 2.840 1.264 6.262 1.00 0.00 O ATOM 1581 CB THR A 98 4.476 2.309 3.491 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.438 3.182 2.926 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.339 2.182 2.502 1.00 0.00 C ATOM 0 H THR A 98 5.428 4.346 4.586 1.00 0.00 H new ATOM 0 HA THR A 98 3.031 3.255 4.792 1.00 0.00 H new ATOM 0 HB THR A 98 4.898 1.320 3.670 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.010 3.745 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.725 1.821 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.601 1.478 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.871 3.156 2.359 1.00 0.00 H new ATOM 1591 N PRO A 99 5.076 1.019 6.201 1.00 0.00 N ATOM 1592 CA PRO A 99 5.103 -0.120 7.121 1.00 0.00 C ATOM 1593 C PRO A 99 4.182 0.077 8.323 1.00 0.00 C ATOM 1594 O PRO A 99 3.651 -0.888 8.873 1.00 0.00 O ATOM 1595 CB PRO A 99 6.572 -0.203 7.570 1.00 0.00 C ATOM 1596 CG PRO A 99 7.272 0.953 6.923 1.00 0.00 C ATOM 1597 CD PRO A 99 6.428 1.366 5.752 1.00 0.00 C ATOM 0 HA PRO A 99 4.747 -1.031 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.651 -0.148 8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.019 -1.149 7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.389 1.778 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.272 0.667 6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.524 2.430 5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.704 0.831 4.843 1.00 0.00 H new ATOM 1605 N ALA A 100 3.991 1.330 8.720 1.00 0.00 N ATOM 1606 CA ALA A 100 3.125 1.645 9.849 1.00 0.00 C ATOM 1607 C ALA A 100 1.659 1.581 9.436 1.00 0.00 C ATOM 1608 O ALA A 100 0.804 1.142 10.205 1.00 0.00 O ATOM 1609 CB ALA A 100 3.461 3.018 10.409 1.00 0.00 C ATOM 0 H ALA A 100 4.423 2.142 8.278 1.00 0.00 H new ATOM 0 HA ALA A 100 3.294 0.902 10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.805 3.238 11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.498 3.031 10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.321 3.771 9.634 1.00 0.00 H new ATOM 1615 N VAL A 101 1.380 2.011 8.211 1.00 0.00 N ATOM 1616 CA VAL A 101 0.023 1.995 7.684 1.00 0.00 C ATOM 1617 C VAL A 101 -0.403 0.574 7.332 1.00 0.00 C ATOM 1618 O VAL A 101 -1.589 0.245 7.360 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.104 2.883 6.430 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.554 2.971 5.977 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.467 4.267 6.700 1.00 0.00 C ATOM 0 H VAL A 101 2.079 2.376 7.563 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.629 2.389 8.464 1.00 0.00 H new ATOM 0 HB VAL A 101 0.472 2.428 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.621 3.602 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.922 1.973 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.159 3.401 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.370 4.882 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.079 4.732 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.520 4.180 6.968 1.00 0.00 H new ATOM 1631 N ILE A 102 0.575 -0.266 7.001 1.00 0.00 N ATOM 1632 CA ILE A 102 0.303 -1.653 6.645 1.00 0.00 C ATOM 1633 C ILE A 102 -0.067 -2.472 7.877 1.00 0.00 C ATOM 1634 O ILE A 102 -0.851 -3.418 7.793 1.00 0.00 O ATOM 1635 CB ILE A 102 1.519 -2.304 5.957 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.002 -1.433 4.795 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.172 -3.703 5.470 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.461 -1.640 4.450 1.00 0.00 C ATOM 0 H ILE A 102 1.562 -0.009 6.972 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.537 -1.644 5.951 1.00 0.00 H new ATOM 0 HB ILE A 102 2.326 -2.387 6.685 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.395 -1.646 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.842 -0.385 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.043 -4.147 4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.874 -4.320 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.351 -3.646 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.734 -0.991 3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.077 -1.399 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.624 -2.680 4.167 1.00 0.00 H new ATOM 1650 N SER A 103 0.502 -2.105 9.021 1.00 0.00 N ATOM 1651 CA SER A 103 0.231 -2.810 10.270 1.00 0.00 C ATOM 1652 C SER A 103 -1.255 -2.768 10.611 1.00 0.00 C ATOM 1653 O SER A 103 -1.828 -3.764 11.054 1.00 0.00 O ATOM 1654 CB SER A 103 1.046 -2.201 11.411 1.00 0.00 C ATOM 1655 OG SER A 103 1.375 -3.178 12.383 1.00 0.00 O ATOM 0 H SER A 103 1.153 -1.325 9.109 1.00 0.00 H new ATOM 0 HA SER A 103 0.524 -3.852 10.139 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.959 -1.758 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.478 -1.396 11.878 1.00 0.00 H new ATOM 0 HG SER A 103 1.141 -2.845 13.274 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.873 -1.610 10.404 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.293 -1.441 10.690 1.00 0.00 C ATOM 1663 C ALA A 104 -4.134 -2.436 9.898 1.00 0.00 C ATOM 1664 O ALA A 104 -5.116 -2.977 10.407 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.726 -0.016 10.382 1.00 0.00 C ATOM 0 H ALA A 104 -1.413 -0.775 10.040 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.452 -1.636 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.788 0.097 10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.154 0.679 10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.547 0.199 9.329 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.743 -2.673 8.650 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.460 -3.602 7.785 1.00 0.00 C ATOM 1673 C PHE A 105 -4.537 -4.986 8.417 1.00 0.00 C ATOM 1674 O PHE A 105 -5.577 -5.639 8.374 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.773 -3.693 6.421 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.636 -4.280 5.337 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.129 -5.573 5.438 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.949 -3.537 4.210 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.914 -6.109 4.439 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.734 -4.071 3.209 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.216 -5.358 3.324 1.00 0.00 C ATOM 0 H PHE A 105 -2.932 -2.233 8.215 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.474 -3.225 7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.456 -2.695 6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.871 -4.297 6.520 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.895 -6.167 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.574 -2.529 4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.292 -7.117 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.971 -3.481 2.336 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.830 -5.777 2.540 1.00 0.00 H new ATOM 1691 N SER A 106 -3.429 -5.432 8.997 1.00 0.00 N ATOM 1692 CA SER A 106 -3.376 -6.744 9.630 1.00 0.00 C ATOM 1693 C SER A 106 -4.387 -6.845 10.766 1.00 0.00 C ATOM 1694 O SER A 106 -5.101 -7.841 10.886 1.00 0.00 O ATOM 1695 CB SER A 106 -1.967 -7.025 10.156 1.00 0.00 C ATOM 1696 OG SER A 106 -1.620 -8.388 9.981 1.00 0.00 O ATOM 0 H SER A 106 -2.557 -4.905 9.042 1.00 0.00 H new ATOM 0 HA SER A 106 -3.630 -7.491 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.248 -6.393 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.911 -6.765 11.213 1.00 0.00 H new ATOM 0 HG SER A 106 -0.715 -8.542 10.323 1.00 0.00 H new ATOM 1702 N THR A 107 -4.445 -5.812 11.599 1.00 0.00 N ATOM 1703 CA THR A 107 -5.372 -5.795 12.725 1.00 0.00 C ATOM 1704 C THR A 107 -6.805 -5.646 12.242 1.00 0.00 C ATOM 1705 O THR A 107 -7.701 -6.346 12.715 1.00 0.00 O ATOM 1706 CB THR A 107 -5.020 -4.665 13.693 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.681 -4.787 14.141 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.911 -4.626 14.916 1.00 0.00 C ATOM 0 H THR A 107 -3.863 -4.978 11.517 1.00 0.00 H new ATOM 0 HA THR A 107 -5.283 -6.746 13.251 1.00 0.00 H new ATOM 0 HB THR A 107 -5.165 -3.744 13.128 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.474 -4.054 14.758 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.608 -3.801 15.561 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.947 -4.483 14.607 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.821 -5.565 15.462 1.00 0.00 H new ATOM 1716 N MET A 108 -7.024 -4.750 11.288 1.00 0.00 N ATOM 1717 CA MET A 108 -8.355 -4.549 10.748 1.00 0.00 C ATOM 1718 C MET A 108 -8.748 -5.743 9.888 1.00 0.00 C ATOM 1719 O MET A 108 -9.929 -5.997 9.658 1.00 0.00 O ATOM 1720 CB MET A 108 -8.414 -3.264 9.929 1.00 0.00 C ATOM 1721 CG MET A 108 -7.990 -2.030 10.709 1.00 0.00 C ATOM 1722 SD MET A 108 -9.200 -1.546 11.955 1.00 0.00 S ATOM 1723 CE MET A 108 -8.254 -0.358 12.904 1.00 0.00 C ATOM 0 H MET A 108 -6.302 -4.158 10.878 1.00 0.00 H new ATOM 0 HA MET A 108 -9.059 -4.458 11.575 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.772 -3.370 9.054 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.431 -3.122 9.563 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.033 -2.222 11.193 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.836 -1.202 10.017 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.869 0.033 13.715 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.372 -0.844 13.320 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.945 0.462 12.256 1.00 0.00 H new ATOM 1733 N MET A 109 -7.740 -6.481 9.425 1.00 0.00 N ATOM 1734 CA MET A 109 -7.970 -7.655 8.604 1.00 0.00 C ATOM 1735 C MET A 109 -8.521 -8.802 9.449 1.00 0.00 C ATOM 1736 O MET A 109 -9.054 -9.770 8.914 1.00 0.00 O ATOM 1737 CB MET A 109 -6.670 -8.083 7.911 1.00 0.00 C ATOM 1738 CG MET A 109 -6.716 -9.483 7.314 1.00 0.00 C ATOM 1739 SD MET A 109 -6.091 -10.740 8.444 1.00 0.00 S ATOM 1740 CE MET A 109 -6.169 -12.197 7.405 1.00 0.00 C ATOM 0 H MET A 109 -6.757 -6.281 9.608 1.00 0.00 H new ATOM 0 HA MET A 109 -8.707 -7.403 7.842 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.441 -7.369 7.120 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.853 -8.033 8.631 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.743 -9.724 7.041 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.129 -9.502 6.395 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.813 -13.062 7.964 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.199 -12.366 7.092 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.542 -12.051 6.526 1.00 0.00 H new ATOM 1750 N SER A 110 -8.391 -8.696 10.770 1.00 0.00 N ATOM 1751 CA SER A 110 -8.891 -9.735 11.663 1.00 0.00 C ATOM 1752 C SER A 110 -10.274 -9.373 12.194 1.00 0.00 C ATOM 1753 O SER A 110 -11.025 -10.242 12.638 1.00 0.00 O ATOM 1754 CB SER A 110 -7.921 -9.957 12.824 1.00 0.00 C ATOM 1755 OG SER A 110 -6.651 -10.375 12.355 1.00 0.00 O ATOM 0 H SER A 110 -7.947 -7.908 11.241 1.00 0.00 H new ATOM 0 HA SER A 110 -8.972 -10.661 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.816 -9.035 13.395 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.327 -10.708 13.502 1.00 0.00 H new ATOM 0 HG SER A 110 -6.205 -9.626 11.906 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.610 -8.088 12.140 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.906 -7.620 12.607 1.00 0.00 C ATOM 1763 C VAL A 111 -12.985 -7.843 11.551 1.00 0.00 C ATOM 1764 O VAL A 111 -14.177 -7.756 11.845 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.865 -6.125 12.976 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.164 -5.704 13.645 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -10.674 -5.829 13.875 1.00 0.00 C ATOM 0 H VAL A 111 -10.002 -7.354 11.777 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.148 -8.199 13.498 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.751 -5.547 12.059 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.116 -4.645 13.898 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -13.997 -5.877 12.963 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.311 -6.288 14.553 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.662 -4.768 14.125 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.754 -6.417 14.790 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.752 -6.090 13.355 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.565 -8.132 10.319 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.498 -8.367 9.234 1.00 0.00 C ATOM 1779 C HIS A 112 -14.072 -9.778 9.307 1.00 0.00 C ATOM 1780 O HIS A 112 -15.174 -10.036 8.822 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.795 -8.146 7.895 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.077 -9.353 7.380 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.317 -10.184 8.173 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.019 -9.871 6.139 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -10.824 -11.164 7.436 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.236 -10.996 6.196 1.00 0.00 N ATOM 0 H HIS A 112 -11.583 -8.207 10.055 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.325 -7.663 9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.532 -7.832 7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.082 -7.329 8.001 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.501 -9.473 5.258 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.192 -11.965 7.790 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -11.010 -11.603 5.408 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.314 -10.693 9.907 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.751 -12.076 10.030 1.00 0.00 C ATOM 1797 C ARG A 113 -14.923 -12.190 11.000 1.00 0.00 C ATOM 1798 O ARG A 113 -15.820 -13.012 10.811 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.595 -12.960 10.501 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.601 -14.348 9.884 1.00 0.00 C ATOM 1801 CD ARG A 113 -11.188 -14.863 9.656 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.396 -14.850 10.884 1.00 0.00 N ATOM 1803 CZ ARG A 113 -9.071 -14.968 10.911 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -8.386 -15.107 9.783 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -8.428 -14.946 12.071 1.00 0.00 N ATOM 0 H ARG A 113 -12.398 -10.500 10.313 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.080 -12.416 9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.652 -12.469 10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.639 -13.054 11.586 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.139 -15.035 10.537 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.138 -14.323 8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.231 -15.879 9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.696 -14.250 8.901 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.887 -14.744 11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.875 -15.124 8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.370 -15.197 9.811 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.949 -14.839 12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.412 -15.036 12.093 1.00 0.00 H new ATOM 1819 N GLY A 114 -14.908 -11.361 12.038 1.00 0.00 N ATOM 1820 CA GLY A 114 -15.975 -11.385 13.023 1.00 0.00 C ATOM 1821 C GLY A 114 -17.275 -10.823 12.483 1.00 0.00 C ATOM 1822 O GLY A 114 -18.357 -11.234 12.900 1.00 0.00 O ATOM 0 H GLY A 114 -14.176 -10.673 12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.136 -12.411 13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.670 -10.811 13.898 1.00 0.00 H new ATOM 1826 N GLU A 115 -17.169 -9.881 11.552 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.346 -9.261 10.953 1.00 0.00 C ATOM 1828 C GLU A 115 -19.209 -10.302 10.247 1.00 0.00 C ATOM 1829 O GLU A 115 -20.372 -10.502 10.598 1.00 0.00 O ATOM 1830 CB GLU A 115 -17.928 -8.171 9.964 1.00 0.00 C ATOM 1831 CG GLU A 115 -18.875 -6.983 9.934 1.00 0.00 C ATOM 1832 CD GLU A 115 -18.145 -5.660 9.802 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -17.058 -5.641 9.186 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -18.659 -4.644 10.314 1.00 0.00 O ATOM 0 H GLU A 115 -16.280 -9.530 11.196 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.934 -8.809 11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.928 -7.822 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.867 -8.602 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.568 -7.096 9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.472 -6.975 10.846 1.00 0.00 H new ATOM 1841 N VAL A 116 -18.632 -10.962 9.248 1.00 0.00 N ATOM 1842 CA VAL A 116 -19.347 -11.982 8.492 1.00 0.00 C ATOM 1843 C VAL A 116 -19.654 -13.199 9.366 1.00 0.00 C ATOM 1844 O VAL A 116 -18.798 -13.658 10.122 1.00 0.00 O ATOM 1845 CB VAL A 116 -18.540 -12.434 7.258 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -17.210 -13.041 7.679 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -19.344 -13.419 6.421 1.00 0.00 C ATOM 0 H VAL A 116 -17.671 -10.808 8.944 1.00 0.00 H new ATOM 0 HA VAL A 116 -20.283 -11.534 8.158 1.00 0.00 H new ATOM 0 HB VAL A 116 -18.334 -11.557 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -16.656 -13.353 6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.629 -12.300 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.391 -13.906 8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.757 -13.725 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -19.587 -14.295 7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -20.265 -12.943 6.084 1.00 0.00 H new ATOM 1857 N PRO A 117 -20.882 -13.740 9.274 1.00 0.00 N ATOM 1858 CA PRO A 117 -21.288 -14.908 10.062 1.00 0.00 C ATOM 1859 C PRO A 117 -20.591 -16.185 9.608 1.00 0.00 C ATOM 1860 O PRO A 117 -20.792 -16.648 8.484 1.00 0.00 O ATOM 1861 CB PRO A 117 -22.794 -15.003 9.810 1.00 0.00 C ATOM 1862 CG PRO A 117 -22.996 -14.354 8.485 1.00 0.00 C ATOM 1863 CD PRO A 117 -21.968 -13.260 8.398 1.00 0.00 C ATOM 0 HA PRO A 117 -21.025 -14.799 11.114 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -23.129 -16.040 9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -23.359 -14.494 10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -22.870 -15.073 7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -24.004 -13.950 8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -21.623 -13.113 7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -22.368 -12.305 8.740 1.00 0.00 H new ATOM 1871 N CYS A 118 -19.769 -16.750 10.486 1.00 0.00 N ATOM 1872 CA CYS A 118 -19.041 -17.974 10.174 1.00 0.00 C ATOM 1873 C CYS A 118 -19.985 -19.171 10.129 1.00 0.00 C ATOM 1874 O CYS A 118 -20.848 -19.327 10.993 1.00 0.00 O ATOM 1875 CB CYS A 118 -17.941 -18.216 11.208 1.00 0.00 C ATOM 1876 SG CYS A 118 -16.524 -17.102 11.054 1.00 0.00 S ATOM 0 H CYS A 118 -19.590 -16.380 11.419 1.00 0.00 H new ATOM 0 HA CYS A 118 -18.585 -17.856 9.191 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -18.366 -18.110 12.206 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -17.592 -19.245 11.118 1.00 0.00 H new ATOM 0 HG CYS A 118 -15.649 -17.383 11.973 1.00 0.00 H new ATOM 1882 N THR A 119 -19.813 -20.016 9.116 1.00 0.00 N ATOM 1883 CA THR A 119 -20.649 -21.201 8.959 1.00 0.00 C ATOM 1884 C THR A 119 -19.880 -22.463 9.335 1.00 0.00 C ATOM 1885 O THR A 119 -18.693 -22.407 9.654 1.00 0.00 O ATOM 1886 CB THR A 119 -21.154 -21.306 7.519 1.00 0.00 C ATOM 1887 OG1 THR A 119 -20.088 -21.605 6.635 1.00 0.00 O ATOM 1888 CG2 THR A 119 -21.821 -20.040 7.025 1.00 0.00 C ATOM 0 H THR A 119 -19.103 -19.902 8.393 1.00 0.00 H new ATOM 0 HA THR A 119 -21.503 -21.105 9.630 1.00 0.00 H new ATOM 0 HB THR A 119 -21.894 -22.106 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 119 -20.431 -21.670 5.719 1.00 0.00 H new ATOM 0 HG21 THR A 119 -22.156 -20.182 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 119 -22.678 -19.810 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 119 -21.110 -19.215 7.064 1.00 0.00 H new ATOM 1896 N VAL A 120 -20.566 -23.601 9.295 1.00 0.00 N ATOM 1897 CA VAL A 120 -19.948 -24.877 9.631 1.00 0.00 C ATOM 1898 C VAL A 120 -19.439 -25.587 8.380 1.00 0.00 C ATOM 1899 O VAL A 120 -19.969 -25.308 7.285 1.00 0.00 O ATOM 1900 CB VAL A 120 -20.935 -25.803 10.365 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -21.223 -25.277 11.762 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -22.221 -25.954 9.567 1.00 0.00 C ATOM 1903 OXT VAL A 120 -18.512 -26.415 8.507 1.00 0.00 O ATOM 0 H VAL A 120 -21.550 -23.665 9.033 1.00 0.00 H new ATOM 0 HA VAL A 120 -19.108 -24.658 10.290 1.00 0.00 H new ATOM 0 HB VAL A 120 -20.478 -26.788 10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -21.922 -25.945 12.265 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -20.295 -25.228 12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -21.659 -24.280 11.693 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -22.906 -26.612 10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -22.685 -24.976 9.436 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -21.995 -26.382 8.590 1.00 0.00 H new TER 1913 VAL A 120