USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1096 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot 30:sc= 0.671 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 178:sc= 0.561 (180deg=-0.14) USER MOD Set 2.1: A 20 ASN :FLIP amide:sc= -1.32 F(o=-4.8!,f=-1.7) USER MOD Set 2.2: A 32 GLN :FLIP amide:sc= -0.422 F(o=-6.8!,f=-1.7) USER MOD Set 3.1: A 1 MET N :NH3+ -150:sc= 1.91 (180deg=0.0394) USER MOD Set 3.2: A 24 ASN :FLIP amide:sc= -1.67 F(o=-8.6!,f=0.13) USER MOD Set 3.3: A 29 GLN : amide:sc= -0.109 K(o=0.13,f=-15!) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.187 (180deg=-0.839) USER MOD Single : A 2 MET CE :methyl -165:sc= -0.0337 (180deg=-0.328) USER MOD Single : A 3 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 1.08 (180deg=0.982) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.131 F(o=-0.94,f=-0.13) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 164:sc= 1.04 USER MOD Single : A 35 ASN :FLIP amide:sc= -2.36! C(o=-4.2!,f=-2.4!) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.59 F(o=-5.8!,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 174:sc=-0.00272 (180deg=-0.0678) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= 0.0747 (180deg=-1.43) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.975) USER MOD Single : A 69 MET CE :methyl -111:sc= -0.182 (180deg=-1.96) USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= -3.25! (180deg=-4.67!) USER MOD Single : A 75 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 81 MET CE :methyl 157:sc= -0.734 (180deg=-1.69) USER MOD Single : A 82 THR OG1 : rot -113:sc= -1.12 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0771 X(o=-0.077,f=0) USER MOD Single : A 93 SER OG : rot 86:sc= 0.902 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 101 HIS :FLIP no HD1:sc= 0.0554 F(o=-2.4!,f=0.055) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= -0.0505 (180deg=-0.298) USER MOD Single : A 117 LYS NZ :NH3+ 152:sc= 0.564 (180deg=-0.553!) USER MOD Single : A 118 TYR OH : rot -30:sc= -3.37! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 127 HIS : no HD1:sc= -0.0975 X(o=-0.098,f=-0.0023) USER MOD Single : A 128 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.0054) USER MOD Single : A 129 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.19) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc=-0.00834 X(o=-0.0083,f=-0.014) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.783 9.699 10.311 1.00 4.70 N ATOM 2 CA MET A 1 -6.006 10.413 11.591 1.00 4.14 C ATOM 3 C MET A 1 -7.220 9.860 12.337 1.00 3.03 C ATOM 4 O MET A 1 -7.160 9.640 13.547 1.00 3.33 O ATOM 5 CB MET A 1 -6.195 11.915 11.352 1.00 4.68 C ATOM 6 CG MET A 1 -4.946 12.617 10.841 1.00 5.19 C ATOM 7 SD MET A 1 -5.180 14.396 10.629 1.00 6.18 S ATOM 8 CE MET A 1 -5.592 14.891 12.301 1.00 6.56 C ATOM 0 H1 MET A 1 -4.768 9.700 10.085 1.00 4.70 H new ATOM 0 H2 MET A 1 -6.117 8.718 10.398 1.00 4.70 H new ATOM 0 H3 MET A 1 -6.308 10.177 9.551 1.00 4.70 H new ATOM 0 HA MET A 1 -5.119 10.255 12.205 1.00 4.14 H new ATOM 0 HB2 MET A 1 -7.002 12.060 10.634 1.00 4.68 H new ATOM 0 HB3 MET A 1 -6.509 12.385 12.284 1.00 4.68 H new ATOM 0 HG2 MET A 1 -4.126 12.444 11.538 1.00 5.19 H new ATOM 0 HG3 MET A 1 -4.652 12.178 9.888 1.00 5.19 H new ATOM 0 HE1 MET A 1 -5.402 15.957 12.422 1.00 6.56 H new ATOM 0 HE2 MET A 1 -6.645 14.686 12.492 1.00 6.56 H new ATOM 0 HE3 MET A 1 -4.979 14.331 13.008 1.00 6.56 H new ATOM 20 N MET A 2 -8.310 9.624 11.619 1.00 2.15 N ATOM 21 CA MET A 2 -9.558 9.191 12.240 1.00 1.39 C ATOM 22 C MET A 2 -9.800 7.704 11.991 1.00 1.23 C ATOM 23 O MET A 2 -9.680 6.879 12.896 1.00 1.91 O ATOM 24 CB MET A 2 -10.738 10.003 11.690 1.00 1.06 C ATOM 25 CG MET A 2 -10.531 11.511 11.730 1.00 1.27 C ATOM 26 SD MET A 2 -10.181 12.129 13.389 1.00 2.00 S ATOM 27 CE MET A 2 -11.692 11.696 14.250 1.00 2.94 C ATOM 0 H MET A 2 -8.357 9.725 10.605 1.00 2.15 H new ATOM 0 HA MET A 2 -9.476 9.359 13.314 1.00 1.39 H new ATOM 0 HB2 MET A 2 -10.924 9.700 10.659 1.00 1.06 H new ATOM 0 HB3 MET A 2 -11.633 9.755 12.261 1.00 1.06 H new ATOM 0 HG2 MET A 2 -9.707 11.777 11.068 1.00 1.27 H new ATOM 0 HG3 MET A 2 -11.423 12.005 11.344 1.00 1.27 H new ATOM 0 HE1 MET A 2 -11.741 12.238 15.194 1.00 2.94 H new ATOM 0 HE2 MET A 2 -12.551 11.962 13.634 1.00 2.94 H new ATOM 0 HE3 MET A 2 -11.705 10.624 14.446 1.00 2.94 H new ATOM 37 N ASN A 3 -10.118 7.370 10.747 1.00 0.60 N ATOM 38 CA ASN A 3 -10.417 5.995 10.364 1.00 0.58 C ATOM 39 C ASN A 3 -9.707 5.632 9.066 1.00 0.41 C ATOM 40 O ASN A 3 -9.503 4.455 8.756 1.00 0.47 O ATOM 41 CB ASN A 3 -11.921 5.764 10.232 1.00 0.73 C ATOM 42 CG ASN A 3 -12.560 6.763 9.313 1.00 1.80 C ATOM 43 OD1 ASN A 3 -12.734 6.521 8.121 1.00 2.57 O ATOM 44 ND2 ASN A 3 -12.896 7.905 9.870 1.00 2.06 N ATOM 0 H ASN A 3 -10.176 8.039 9.979 1.00 0.60 H new ATOM 0 HA ASN A 3 -10.049 5.345 11.158 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -12.102 4.757 9.857 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -12.386 5.826 11.216 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -13.323 8.641 9.307 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -12.730 8.055 10.865 1.00 2.06 H new ATOM 51 N GLU A 4 -9.296 6.651 8.333 1.00 0.28 N ATOM 52 CA GLU A 4 -8.558 6.461 7.101 1.00 0.20 C ATOM 53 C GLU A 4 -7.084 6.198 7.412 1.00 0.17 C ATOM 54 O GLU A 4 -6.481 6.920 8.196 1.00 0.20 O ATOM 55 CB GLU A 4 -8.728 7.670 6.146 1.00 0.24 C ATOM 56 CG GLU A 4 -8.900 9.078 6.778 1.00 0.39 C ATOM 57 CD GLU A 4 -8.212 9.299 8.103 1.00 0.99 C ATOM 58 OE1 GLU A 4 -7.026 9.672 8.099 1.00 1.70 O ATOM 59 OE2 GLU A 4 -8.834 9.072 9.150 1.00 1.26 O ATOM 0 H GLU A 4 -9.464 7.628 8.575 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.964 5.591 6.586 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -7.858 7.702 5.490 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.596 7.478 5.516 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -8.529 9.819 6.071 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -9.965 9.268 6.909 1.00 0.39 H new ATOM 66 N LYS A 5 -6.519 5.115 6.860 1.00 0.17 N ATOM 67 CA LYS A 5 -5.132 4.749 7.176 1.00 0.18 C ATOM 68 C LYS A 5 -4.388 4.021 6.046 1.00 0.17 C ATOM 69 O LYS A 5 -4.869 3.022 5.509 1.00 0.18 O ATOM 70 CB LYS A 5 -5.091 3.933 8.465 1.00 0.26 C ATOM 71 CG LYS A 5 -6.332 3.083 8.705 1.00 0.79 C ATOM 72 CD LYS A 5 -6.323 2.493 10.101 1.00 0.87 C ATOM 73 CE LYS A 5 -7.523 1.596 10.348 1.00 1.27 C ATOM 74 NZ LYS A 5 -8.799 2.360 10.433 1.00 1.93 N ATOM 0 H LYS A 5 -6.989 4.489 6.206 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.596 5.689 7.307 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -4.217 3.282 8.442 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -4.961 4.612 9.308 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -7.226 3.691 8.569 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -6.377 2.282 7.968 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -5.407 1.921 10.247 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -6.316 3.299 10.835 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -7.595 0.862 9.545 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -7.373 1.041 11.274 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -9.601 1.699 10.415 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -8.819 2.905 11.319 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -8.868 3.011 9.625 1.00 1.93 H new ATOM 88 N ILE A 6 -3.182 4.517 5.729 1.00 0.16 N ATOM 89 CA ILE A 6 -2.308 3.913 4.713 1.00 0.15 C ATOM 90 C ILE A 6 -0.833 4.055 5.126 1.00 0.15 C ATOM 91 O ILE A 6 -0.456 5.020 5.771 1.00 0.20 O ATOM 92 CB ILE A 6 -2.482 4.582 3.324 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.893 4.385 2.785 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.470 4.038 2.323 1.00 0.18 C ATOM 95 CD1 ILE A 6 -4.121 5.087 1.468 1.00 0.19 C ATOM 0 H ILE A 6 -2.786 5.347 6.170 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.591 2.863 4.641 1.00 0.15 H new ATOM 0 HB ILE A 6 -2.307 5.650 3.458 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -4.084 3.319 2.661 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.611 4.754 3.517 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.615 4.524 1.358 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.460 4.237 2.682 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.610 2.963 2.212 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -5.143 4.911 1.134 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.960 6.158 1.594 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.424 4.700 0.724 1.00 0.19 H new ATOM 107 N LEU A 7 -0.003 3.100 4.758 1.00 0.14 N ATOM 108 CA LEU A 7 1.425 3.186 5.020 1.00 0.16 C ATOM 109 C LEU A 7 2.166 3.263 3.686 1.00 0.25 C ATOM 110 O LEU A 7 1.714 2.689 2.722 1.00 0.59 O ATOM 111 CB LEU A 7 1.869 1.961 5.827 1.00 0.23 C ATOM 112 CG LEU A 7 3.092 2.162 6.724 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.364 2.229 5.906 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.936 3.425 7.548 1.00 0.47 C ATOM 0 H LEU A 7 -0.292 2.250 4.274 1.00 0.14 H new ATOM 0 HA LEU A 7 1.654 4.079 5.602 1.00 0.16 H new ATOM 0 HB2 LEU A 7 1.035 1.638 6.449 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.081 1.149 5.132 1.00 0.23 H new ATOM 0 HG LEU A 7 3.163 1.305 7.394 1.00 0.27 H new ATOM 0 HD11 LEU A 7 5.216 2.372 6.570 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.489 1.299 5.351 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.304 3.064 5.208 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.813 3.556 8.182 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.837 4.283 6.883 1.00 0.47 H new ATOM 0 HD23 LEU A 7 2.046 3.345 8.172 1.00 0.47 H new ATOM 126 N ILE A 8 3.249 4.026 3.609 1.00 0.19 N ATOM 127 CA ILE A 8 4.062 4.085 2.386 1.00 0.19 C ATOM 128 C ILE A 8 5.523 3.759 2.706 1.00 0.19 C ATOM 129 O ILE A 8 6.204 4.527 3.389 1.00 0.24 O ATOM 130 CB ILE A 8 4.008 5.482 1.716 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.573 5.862 1.330 1.00 0.23 C ATOM 132 CG2 ILE A 8 4.908 5.522 0.487 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.736 6.362 2.485 1.00 0.20 C ATOM 0 H ILE A 8 3.589 4.612 4.371 1.00 0.19 H new ATOM 0 HA ILE A 8 3.647 3.351 1.696 1.00 0.19 H new ATOM 0 HB ILE A 8 4.368 6.210 2.443 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.607 6.632 0.560 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.084 4.993 0.890 1.00 0.23 H new ATOM 0 HG21 ILE A 8 4.857 6.510 0.030 1.00 0.28 H new ATOM 0 HG22 ILE A 8 5.936 5.311 0.782 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.576 4.773 -0.232 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.736 6.609 2.129 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.668 5.586 3.248 1.00 0.20 H new ATOM 0 HD13 ILE A 8 2.199 7.251 2.912 1.00 0.20 H new ATOM 145 N VAL A 9 5.993 2.618 2.225 1.00 0.19 N ATOM 146 CA VAL A 9 7.367 2.186 2.450 1.00 0.19 C ATOM 147 C VAL A 9 8.193 2.373 1.189 1.00 0.19 C ATOM 148 O VAL A 9 8.034 1.608 0.237 1.00 0.22 O ATOM 149 CB VAL A 9 7.432 0.699 2.848 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.818 0.333 3.363 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.363 0.370 3.872 1.00 0.21 C ATOM 0 H VAL A 9 5.437 1.967 1.670 1.00 0.19 H new ATOM 0 HA VAL A 9 7.765 2.796 3.261 1.00 0.19 H new ATOM 0 HB VAL A 9 7.240 0.100 1.958 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.837 -0.722 3.637 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.557 0.519 2.583 1.00 0.23 H new ATOM 0 HG13 VAL A 9 9.053 0.940 4.238 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.427 -0.685 4.139 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.513 0.979 4.763 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.379 0.579 3.451 1.00 0.21 H new ATOM 161 N ASP A 10 9.087 3.360 1.204 1.00 0.21 N ATOM 162 CA ASP A 10 9.891 3.708 0.018 1.00 0.30 C ATOM 163 C ASP A 10 10.786 4.908 0.323 1.00 0.42 C ATOM 164 O ASP A 10 10.295 6.008 0.536 1.00 0.83 O ATOM 165 CB ASP A 10 8.993 4.029 -1.184 1.00 0.45 C ATOM 166 CG ASP A 10 9.741 4.746 -2.293 1.00 1.13 C ATOM 167 OD1 ASP A 10 10.520 4.091 -3.022 1.00 1.63 O ATOM 168 OD2 ASP A 10 9.567 5.974 -2.420 1.00 1.84 O ATOM 0 H ASP A 10 9.278 3.938 2.022 1.00 0.21 H new ATOM 0 HA ASP A 10 10.510 2.846 -0.233 1.00 0.30 H new ATOM 0 HB2 ASP A 10 8.570 3.104 -1.575 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.158 4.647 -0.855 1.00 0.45 H new ATOM 173 N ASP A 11 12.096 4.704 0.313 1.00 0.29 N ATOM 174 CA ASP A 11 13.033 5.700 0.833 1.00 0.36 C ATOM 175 C ASP A 11 13.350 6.797 -0.180 1.00 0.38 C ATOM 176 O ASP A 11 14.487 7.259 -0.280 1.00 0.73 O ATOM 177 CB ASP A 11 14.320 5.016 1.287 1.00 0.48 C ATOM 178 CG ASP A 11 15.193 5.907 2.153 1.00 0.63 C ATOM 179 OD1 ASP A 11 14.644 6.652 2.997 1.00 0.77 O ATOM 180 OD2 ASP A 11 16.431 5.861 1.999 1.00 0.74 O ATOM 0 H ASP A 11 12.538 3.859 -0.049 1.00 0.29 H new ATOM 0 HA ASP A 11 12.550 6.183 1.683 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.068 4.113 1.843 1.00 0.48 H new ATOM 0 HB3 ASP A 11 14.887 4.703 0.410 1.00 0.48 H new ATOM 185 N GLN A 12 12.353 7.227 -0.930 1.00 0.56 N ATOM 186 CA GLN A 12 12.496 8.448 -1.690 1.00 0.60 C ATOM 187 C GLN A 12 12.332 9.611 -0.732 1.00 0.54 C ATOM 188 O GLN A 12 11.442 9.604 0.124 1.00 0.66 O ATOM 189 CB GLN A 12 11.496 8.529 -2.836 1.00 0.83 C ATOM 190 CG GLN A 12 11.670 7.423 -3.870 1.00 1.01 C ATOM 191 CD GLN A 12 13.014 7.452 -4.578 1.00 1.87 C ATOM 192 OE1 GLN A 12 13.572 8.640 -4.768 1.00 2.56 O flip ATOM 193 NE2 GLN A 12 13.541 6.406 -4.966 1.00 2.51 N flip ATOM 0 H GLN A 12 11.453 6.758 -1.027 1.00 0.56 H new ATOM 0 HA GLN A 12 13.482 8.476 -2.153 1.00 0.60 H new ATOM 0 HB2 GLN A 12 10.485 8.482 -2.431 1.00 0.83 H new ATOM 0 HB3 GLN A 12 11.597 9.496 -3.329 1.00 0.83 H new ATOM 0 HG2 GLN A 12 11.549 6.457 -3.379 1.00 1.01 H new ATOM 0 HG3 GLN A 12 10.877 7.505 -4.613 1.00 1.01 H new ATOM 0 HE21 GLN A 12 13.080 5.511 -4.801 1.00 2.51 H new ATOM 0 HE22 GLN A 12 14.437 6.436 -5.452 1.00 2.51 H new ATOM 202 N TYR A 13 13.186 10.604 -0.890 1.00 0.55 N ATOM 203 CA TYR A 13 13.414 11.606 0.134 1.00 0.60 C ATOM 204 C TYR A 13 12.149 12.314 0.609 1.00 0.51 C ATOM 205 O TYR A 13 11.974 12.506 1.813 1.00 0.61 O ATOM 206 CB TYR A 13 14.450 12.604 -0.362 1.00 0.75 C ATOM 207 CG TYR A 13 15.846 12.025 -0.366 1.00 1.43 C ATOM 208 CD1 TYR A 13 16.492 11.725 0.827 1.00 1.81 C ATOM 209 CD2 TYR A 13 16.508 11.759 -1.555 1.00 2.25 C ATOM 210 CE1 TYR A 13 17.758 11.176 0.835 1.00 2.61 C ATOM 211 CE2 TYR A 13 17.778 11.215 -1.555 1.00 3.15 C ATOM 212 CZ TYR A 13 18.398 10.924 -0.359 1.00 3.23 C ATOM 213 OH TYR A 13 19.657 10.368 -0.355 1.00 4.16 O ATOM 0 H TYR A 13 13.743 10.739 -1.734 1.00 0.55 H new ATOM 0 HA TYR A 13 13.787 11.082 1.014 1.00 0.60 H new ATOM 0 HB2 TYR A 13 14.189 12.925 -1.370 1.00 0.75 H new ATOM 0 HB3 TYR A 13 14.429 13.492 0.270 1.00 0.75 H new ATOM 0 HD1 TYR A 13 15.995 11.925 1.765 1.00 1.81 H new ATOM 0 HD2 TYR A 13 16.024 11.980 -2.495 1.00 2.25 H new ATOM 0 HE1 TYR A 13 18.244 10.945 1.771 1.00 2.61 H new ATOM 0 HE2 TYR A 13 18.283 11.018 -2.489 1.00 3.15 H new ATOM 0 HH TYR A 13 19.967 10.253 -1.278 1.00 4.16 H new ATOM 223 N GLY A 14 11.264 12.692 -0.300 1.00 0.43 N ATOM 224 CA GLY A 14 10.096 13.441 0.123 1.00 0.39 C ATOM 225 C GLY A 14 8.776 12.863 -0.344 1.00 0.37 C ATOM 226 O GLY A 14 7.731 13.459 -0.102 1.00 0.45 O ATOM 0 H GLY A 14 11.328 12.501 -1.300 1.00 0.43 H new ATOM 0 HA2 GLY A 14 10.090 13.495 1.212 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.182 14.463 -0.247 1.00 0.39 H new ATOM 230 N ILE A 15 8.794 11.702 -0.981 1.00 0.37 N ATOM 231 CA ILE A 15 7.551 11.092 -1.444 1.00 0.38 C ATOM 232 C ILE A 15 6.814 10.499 -0.256 1.00 0.30 C ATOM 233 O ILE A 15 5.589 10.603 -0.139 1.00 0.31 O ATOM 234 CB ILE A 15 7.801 10.002 -2.510 1.00 0.50 C ATOM 235 CG1 ILE A 15 8.531 10.604 -3.712 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.486 9.365 -2.947 1.00 0.56 C ATOM 237 CD1 ILE A 15 8.829 9.604 -4.809 1.00 0.95 C ATOM 0 H ILE A 15 9.638 11.169 -1.188 1.00 0.37 H new ATOM 0 HA ILE A 15 6.947 11.869 -1.913 1.00 0.38 H new ATOM 0 HB ILE A 15 8.426 9.223 -2.073 1.00 0.50 H new ATOM 0 HG12 ILE A 15 7.927 11.413 -4.124 1.00 0.63 H new ATOM 0 HG13 ILE A 15 9.467 11.047 -3.372 1.00 0.63 H new ATOM 0 HG21 ILE A 15 6.684 8.600 -3.698 1.00 0.56 H new ATOM 0 HG22 ILE A 15 5.998 8.910 -2.085 1.00 0.56 H new ATOM 0 HG23 ILE A 15 5.835 10.129 -3.371 1.00 0.56 H new ATOM 0 HD11 ILE A 15 9.347 10.105 -5.627 1.00 0.95 H new ATOM 0 HD12 ILE A 15 9.459 8.807 -4.414 1.00 0.95 H new ATOM 0 HD13 ILE A 15 7.895 9.179 -5.177 1.00 0.95 H new ATOM 249 N ARG A 16 7.599 9.936 0.650 1.00 0.30 N ATOM 250 CA ARG A 16 7.078 9.329 1.868 1.00 0.35 C ATOM 251 C ARG A 16 6.266 10.328 2.691 1.00 0.33 C ATOM 252 O ARG A 16 5.250 9.972 3.282 1.00 0.43 O ATOM 253 CB ARG A 16 8.231 8.781 2.707 1.00 0.49 C ATOM 254 CG ARG A 16 8.401 7.275 2.612 1.00 0.58 C ATOM 255 CD ARG A 16 9.760 6.830 3.139 1.00 0.82 C ATOM 256 NE ARG A 16 10.027 7.288 4.503 1.00 1.64 N ATOM 257 CZ ARG A 16 11.008 8.134 4.817 1.00 2.17 C ATOM 258 NH1 ARG A 16 11.780 8.638 3.860 1.00 2.49 N ATOM 259 NH2 ARG A 16 11.212 8.469 6.083 1.00 2.91 N ATOM 0 H ARG A 16 8.614 9.886 0.563 1.00 0.30 H new ATOM 0 HA ARG A 16 6.413 8.515 1.580 1.00 0.35 H new ATOM 0 HB2 ARG A 16 9.157 9.262 2.392 1.00 0.49 H new ATOM 0 HB3 ARG A 16 8.070 9.053 3.750 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.611 6.783 3.179 1.00 0.58 H new ATOM 0 HG3 ARG A 16 8.292 6.961 1.574 1.00 0.58 H new ATOM 0 HD2 ARG A 16 9.815 5.742 3.111 1.00 0.82 H new ATOM 0 HD3 ARG A 16 10.540 7.206 2.477 1.00 0.82 H new ATOM 0 HE ARG A 16 9.430 6.941 5.254 1.00 1.64 H new ATOM 0 HH11 ARG A 16 11.621 8.377 2.887 1.00 2.49 H new ATOM 0 HH12 ARG A 16 12.531 9.286 4.099 1.00 2.49 H new ATOM 0 HH21 ARG A 16 10.619 8.080 6.816 1.00 2.91 H new ATOM 0 HH22 ARG A 16 11.962 9.116 6.325 1.00 2.91 H new ATOM 273 N ILE A 17 6.712 11.578 2.715 1.00 0.27 N ATOM 274 CA ILE A 17 6.072 12.600 3.534 1.00 0.29 C ATOM 275 C ILE A 17 5.092 13.445 2.719 1.00 0.32 C ATOM 276 O ILE A 17 4.089 13.936 3.249 1.00 0.34 O ATOM 277 CB ILE A 17 7.127 13.503 4.207 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.472 14.503 5.166 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.962 14.227 3.164 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.811 13.852 6.362 1.00 0.68 C ATOM 0 H ILE A 17 7.513 11.908 2.177 1.00 0.27 H new ATOM 0 HA ILE A 17 5.505 12.086 4.310 1.00 0.29 H new ATOM 0 HB ILE A 17 7.788 12.863 4.792 1.00 0.32 H new ATOM 0 HG12 ILE A 17 7.228 15.206 5.517 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.727 15.082 4.620 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.699 14.858 3.662 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.473 13.497 2.537 1.00 0.39 H new ATOM 0 HG23 ILE A 17 7.313 14.847 2.545 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.369 14.620 6.996 1.00 0.68 H new ATOM 0 HD12 ILE A 17 5.032 13.171 6.021 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.556 13.296 6.931 1.00 0.68 H new ATOM 292 N LEU A 18 5.363 13.612 1.427 1.00 0.34 N ATOM 293 CA LEU A 18 4.439 14.348 0.571 1.00 0.43 C ATOM 294 C LEU A 18 3.088 13.648 0.581 1.00 0.33 C ATOM 295 O LEU A 18 2.049 14.296 0.656 1.00 0.32 O ATOM 296 CB LEU A 18 4.988 14.526 -0.868 1.00 0.63 C ATOM 297 CG LEU A 18 4.749 13.385 -1.878 1.00 0.76 C ATOM 298 CD1 LEU A 18 3.353 13.458 -2.487 1.00 1.49 C ATOM 299 CD2 LEU A 18 5.789 13.439 -2.984 1.00 1.34 C ATOM 0 H LEU A 18 6.196 13.256 0.958 1.00 0.34 H new ATOM 0 HA LEU A 18 4.321 15.356 0.968 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.553 15.436 -1.282 1.00 0.63 H new ATOM 0 HB3 LEU A 18 6.063 14.691 -0.798 1.00 0.63 H new ATOM 0 HG LEU A 18 4.836 12.443 -1.337 1.00 0.76 H new ATOM 0 HD11 LEU A 18 3.221 12.639 -3.194 1.00 1.49 H new ATOM 0 HD12 LEU A 18 2.607 13.379 -1.697 1.00 1.49 H new ATOM 0 HD13 LEU A 18 3.232 14.408 -3.007 1.00 1.49 H new ATOM 0 HD21 LEU A 18 5.611 12.629 -3.691 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.719 14.395 -3.503 1.00 1.34 H new ATOM 0 HD23 LEU A 18 6.784 13.332 -2.553 1.00 1.34 H new ATOM 311 N LEU A 19 3.117 12.313 0.557 1.00 0.31 N ATOM 312 CA LEU A 19 1.894 11.521 0.621 1.00 0.29 C ATOM 313 C LEU A 19 1.151 11.759 1.925 1.00 0.20 C ATOM 314 O LEU A 19 -0.066 11.590 1.993 1.00 0.17 O ATOM 315 CB LEU A 19 2.206 10.035 0.452 1.00 0.37 C ATOM 316 CG LEU A 19 2.279 9.569 -1.001 1.00 0.55 C ATOM 317 CD1 LEU A 19 2.996 8.235 -1.109 1.00 1.32 C ATOM 318 CD2 LEU A 19 0.878 9.462 -1.581 1.00 1.07 C ATOM 0 H LEU A 19 3.973 11.762 0.494 1.00 0.31 H new ATOM 0 HA LEU A 19 1.249 11.839 -0.198 1.00 0.29 H new ATOM 0 HB2 LEU A 19 3.157 9.818 0.939 1.00 0.37 H new ATOM 0 HB3 LEU A 19 1.442 9.454 0.970 1.00 0.37 H new ATOM 0 HG LEU A 19 2.847 10.305 -1.570 1.00 0.55 H new ATOM 0 HD11 LEU A 19 3.034 7.926 -2.154 1.00 1.32 H new ATOM 0 HD12 LEU A 19 4.010 8.335 -0.723 1.00 1.32 H new ATOM 0 HD13 LEU A 19 2.459 7.485 -0.528 1.00 1.32 H new ATOM 0 HD21 LEU A 19 0.938 9.129 -2.617 1.00 1.07 H new ATOM 0 HD22 LEU A 19 0.298 8.743 -1.002 1.00 1.07 H new ATOM 0 HD23 LEU A 19 0.392 10.437 -1.540 1.00 1.07 H new ATOM 330 N ASN A 20 1.883 12.164 2.956 1.00 0.20 N ATOM 331 CA ASN A 20 1.265 12.515 4.228 1.00 0.18 C ATOM 332 C ASN A 20 0.421 13.758 4.043 1.00 0.19 C ATOM 333 O ASN A 20 -0.771 13.770 4.329 1.00 0.20 O ATOM 334 CB ASN A 20 2.306 12.793 5.315 1.00 0.22 C ATOM 335 CG ASN A 20 2.925 11.542 5.880 1.00 0.21 C ATOM 336 OD1 ASN A 20 3.186 10.566 5.024 1.00 0.28 O flip ATOM 337 ND2 ASN A 20 3.195 11.463 7.075 1.00 0.18 N flip ATOM 0 H ASN A 20 2.899 12.257 2.937 1.00 0.20 H new ATOM 0 HA ASN A 20 0.657 11.668 4.545 1.00 0.18 H new ATOM 0 HB2 ASN A 20 3.092 13.425 4.902 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.837 13.355 6.123 1.00 0.22 H new ATOM 0 HD21 ASN A 20 2.976 12.239 7.700 1.00 0.18 H new ATOM 0 HD22 ASN A 20 3.638 10.621 7.443 1.00 0.18 H new ATOM 344 N GLU A 21 1.048 14.800 3.529 1.00 0.25 N ATOM 345 CA GLU A 21 0.360 16.064 3.319 1.00 0.30 C ATOM 346 C GLU A 21 -0.828 15.890 2.374 1.00 0.28 C ATOM 347 O GLU A 21 -1.828 16.598 2.488 1.00 0.34 O ATOM 348 CB GLU A 21 1.334 17.108 2.780 1.00 0.38 C ATOM 349 CG GLU A 21 2.577 17.245 3.639 1.00 0.58 C ATOM 350 CD GLU A 21 3.461 18.397 3.218 1.00 1.35 C ATOM 351 OE1 GLU A 21 4.097 18.299 2.148 1.00 2.02 O ATOM 352 OE2 GLU A 21 3.529 19.401 3.953 1.00 1.93 O ATOM 0 H GLU A 21 2.029 14.798 3.250 1.00 0.25 H new ATOM 0 HA GLU A 21 -0.027 16.410 4.277 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.626 16.837 1.765 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.830 18.073 2.720 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.280 17.383 4.679 1.00 0.58 H new ATOM 0 HG3 GLU A 21 3.149 16.319 3.591 1.00 0.58 H new ATOM 359 N VAL A 22 -0.719 14.939 1.449 1.00 0.28 N ATOM 360 CA VAL A 22 -1.826 14.625 0.552 1.00 0.32 C ATOM 361 C VAL A 22 -2.970 13.962 1.310 1.00 0.31 C ATOM 362 O VAL A 22 -4.065 14.511 1.415 1.00 0.47 O ATOM 363 CB VAL A 22 -1.410 13.672 -0.590 1.00 0.43 C ATOM 364 CG1 VAL A 22 -2.555 13.485 -1.574 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.169 14.172 -1.306 1.00 0.63 C ATOM 0 H VAL A 22 0.119 14.376 1.302 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.142 15.578 0.128 1.00 0.32 H new ATOM 0 HB VAL A 22 -1.171 12.706 -0.145 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -2.243 12.811 -2.371 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -3.415 13.061 -1.055 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -2.829 14.450 -2.001 1.00 0.78 H new ATOM 0 HG21 VAL A 22 0.096 13.478 -2.103 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -0.366 15.156 -1.732 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.656 14.242 -0.597 1.00 0.63 H new ATOM 375 N PHE A 23 -2.705 12.781 1.856 1.00 0.22 N ATOM 376 CA PHE A 23 -3.771 11.958 2.400 1.00 0.20 C ATOM 377 C PHE A 23 -3.813 11.961 3.923 1.00 0.18 C ATOM 378 O PHE A 23 -4.884 12.059 4.486 1.00 0.20 O ATOM 379 CB PHE A 23 -3.651 10.518 1.900 1.00 0.24 C ATOM 380 CG PHE A 23 -3.869 10.354 0.422 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.101 10.631 -0.147 1.00 0.33 C ATOM 382 CD2 PHE A 23 -2.845 9.906 -0.396 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.308 10.462 -1.505 1.00 0.38 C ATOM 384 CE2 PHE A 23 -3.045 9.737 -1.752 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.278 10.016 -2.308 1.00 0.38 C ATOM 0 H PHE A 23 -1.771 12.378 1.932 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.702 12.401 2.046 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.661 10.140 2.153 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.374 9.900 2.432 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -5.910 10.983 0.476 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -1.878 9.686 0.032 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.274 10.679 -1.936 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.237 9.387 -2.378 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.436 9.886 -3.368 1.00 0.38 H new ATOM 395 N ASN A 24 -2.661 11.896 4.574 1.00 0.17 N ATOM 396 CA ASN A 24 -2.574 11.638 6.024 1.00 0.20 C ATOM 397 C ASN A 24 -3.529 12.501 6.849 1.00 0.23 C ATOM 398 O ASN A 24 -4.026 12.075 7.891 1.00 0.28 O ATOM 399 CB ASN A 24 -1.149 11.891 6.495 1.00 0.20 C ATOM 400 CG ASN A 24 -0.858 11.284 7.849 1.00 0.18 C ATOM 401 OD1 ASN A 24 -0.282 10.101 7.826 1.00 0.19 O flip ATOM 402 ND2 ASN A 24 -1.106 11.887 8.893 1.00 0.19 N flip ATOM 0 H ASN A 24 -1.755 12.019 4.122 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.864 10.599 6.178 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.452 11.483 5.763 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -0.972 12.966 6.539 1.00 0.20 H new ATOM 0 HD21 ASN A 24 -1.554 12.803 8.859 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.863 11.471 9.792 1.00 0.19 H new ATOM 409 N LYS A 25 -3.760 13.713 6.399 1.00 0.25 N ATOM 410 CA LYS A 25 -4.653 14.622 7.093 1.00 0.32 C ATOM 411 C LYS A 25 -6.123 14.453 6.706 1.00 0.30 C ATOM 412 O LYS A 25 -7.004 14.483 7.565 1.00 0.38 O ATOM 413 CB LYS A 25 -4.188 16.058 6.848 1.00 0.45 C ATOM 414 CG LYS A 25 -3.750 16.294 5.408 1.00 0.51 C ATOM 415 CD LYS A 25 -3.217 17.698 5.183 1.00 1.10 C ATOM 416 CE LYS A 25 -2.040 18.019 6.089 1.00 1.44 C ATOM 417 NZ LYS A 25 -1.489 19.367 5.798 1.00 1.75 N ATOM 0 H LYS A 25 -3.341 14.097 5.552 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.603 14.381 8.155 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -4.997 16.745 7.095 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -3.359 16.287 7.518 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -2.979 15.570 5.143 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -4.595 16.119 4.742 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -2.912 17.806 4.142 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -4.015 18.420 5.358 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -2.356 17.970 7.131 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -1.261 17.269 5.957 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 -0.687 19.558 6.432 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -1.166 19.404 4.810 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -2.227 20.084 5.948 1.00 1.75 H new ATOM 431 N GLU A 26 -6.391 14.274 5.425 1.00 0.29 N ATOM 432 CA GLU A 26 -7.760 14.348 4.922 1.00 0.35 C ATOM 433 C GLU A 26 -8.160 13.093 4.153 1.00 0.33 C ATOM 434 O GLU A 26 -9.315 12.667 4.192 1.00 0.45 O ATOM 435 CB GLU A 26 -7.896 15.580 4.026 1.00 0.43 C ATOM 436 CG GLU A 26 -6.799 15.673 2.974 1.00 0.42 C ATOM 437 CD GLU A 26 -6.931 16.890 2.085 1.00 0.54 C ATOM 438 OE1 GLU A 26 -7.705 16.833 1.106 1.00 0.75 O ATOM 439 OE2 GLU A 26 -6.257 17.905 2.357 1.00 0.61 O ATOM 0 H GLU A 26 -5.687 14.077 4.714 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.432 14.426 5.777 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -8.866 15.557 3.530 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -7.876 16.477 4.645 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -5.829 15.697 3.470 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -6.819 14.775 2.356 1.00 0.42 H new ATOM 446 N GLY A 27 -7.210 12.518 3.443 1.00 0.25 N ATOM 447 CA GLY A 27 -7.476 11.332 2.664 1.00 0.26 C ATOM 448 C GLY A 27 -7.371 10.057 3.478 1.00 0.20 C ATOM 449 O GLY A 27 -8.342 9.307 3.577 1.00 0.22 O ATOM 0 H GLY A 27 -6.249 12.855 3.391 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.475 11.402 2.234 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -6.774 11.285 1.832 1.00 0.26 H new ATOM 453 N TYR A 28 -6.191 9.810 4.053 1.00 0.22 N ATOM 454 CA TYR A 28 -5.915 8.572 4.787 1.00 0.17 C ATOM 455 C TYR A 28 -4.915 8.825 5.924 1.00 0.31 C ATOM 456 O TYR A 28 -4.717 9.951 6.315 1.00 0.84 O ATOM 457 CB TYR A 28 -5.397 7.485 3.828 1.00 0.19 C ATOM 458 CG TYR A 28 -6.361 7.162 2.699 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.400 6.258 2.887 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.220 7.745 1.444 1.00 0.32 C ATOM 461 CE1 TYR A 28 -8.270 5.946 1.862 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.086 7.433 0.413 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.143 6.606 0.635 1.00 0.50 C ATOM 464 OH TYR A 28 -8.972 6.210 -0.396 1.00 0.62 O ATOM 0 H TYR A 28 -5.404 10.458 4.023 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.845 8.219 5.233 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.448 7.810 3.402 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -5.197 6.576 4.396 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -7.529 5.791 3.852 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -5.422 8.452 1.273 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -9.039 5.202 2.005 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -6.923 7.847 -0.571 1.00 0.42 H new ATOM 0 HH TYR A 28 -9.817 5.879 -0.027 1.00 0.62 H new ATOM 474 N GLN A 29 -4.304 7.770 6.456 1.00 0.20 N ATOM 475 CA GLN A 29 -3.305 7.892 7.534 1.00 0.15 C ATOM 476 C GLN A 29 -1.960 7.550 6.963 1.00 0.17 C ATOM 477 O GLN A 29 -1.213 6.760 7.528 1.00 0.34 O ATOM 478 CB GLN A 29 -3.606 6.925 8.683 1.00 0.19 C ATOM 479 CG GLN A 29 -3.007 7.293 10.038 1.00 0.28 C ATOM 480 CD GLN A 29 -2.393 8.662 10.081 1.00 0.74 C ATOM 481 OE1 GLN A 29 -3.075 9.655 10.331 1.00 1.50 O ATOM 482 NE2 GLN A 29 -1.097 8.718 9.905 1.00 0.53 N ATOM 0 H GLN A 29 -4.480 6.810 6.160 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.329 8.909 7.924 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.688 6.849 8.794 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.244 5.936 8.404 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -3.786 7.231 10.797 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -2.247 6.557 10.300 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -0.573 7.867 9.699 1.00 0.53 H new ATOM 0 HE22 GLN A 29 -0.611 9.612 9.973 1.00 0.53 H new ATOM 491 N THR A 30 -1.655 8.168 5.850 1.00 0.12 N ATOM 492 CA THR A 30 -0.536 7.761 5.048 1.00 0.13 C ATOM 493 C THR A 30 0.760 8.135 5.723 1.00 0.13 C ATOM 494 O THR A 30 1.084 9.301 5.811 1.00 0.17 O ATOM 495 CB THR A 30 -0.618 8.408 3.665 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.803 9.821 3.796 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.767 7.833 2.863 1.00 0.16 C ATOM 0 H THR A 30 -2.174 8.963 5.478 1.00 0.12 H new ATOM 0 HA THR A 30 -0.566 6.678 4.933 1.00 0.13 H new ATOM 0 HB THR A 30 0.316 8.201 3.143 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.598 10.258 2.943 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.802 8.311 1.884 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.622 6.760 2.738 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.704 8.014 3.389 1.00 0.16 H new ATOM 505 N PHE A 31 1.497 7.157 6.205 1.00 0.13 N ATOM 506 CA PHE A 31 2.715 7.460 6.933 1.00 0.14 C ATOM 507 C PHE A 31 3.930 7.026 6.115 1.00 0.13 C ATOM 508 O PHE A 31 3.783 6.406 5.063 1.00 0.14 O ATOM 509 CB PHE A 31 2.720 6.773 8.303 1.00 0.17 C ATOM 510 CG PHE A 31 3.389 7.598 9.363 1.00 0.24 C ATOM 511 CD1 PHE A 31 2.717 8.657 9.955 1.00 0.37 C ATOM 512 CD2 PHE A 31 4.688 7.328 9.757 1.00 0.29 C ATOM 513 CE1 PHE A 31 3.328 9.427 10.922 1.00 0.45 C ATOM 514 CE2 PHE A 31 5.305 8.095 10.727 1.00 0.36 C ATOM 515 CZ PHE A 31 4.624 9.147 11.308 1.00 0.42 C ATOM 0 H PHE A 31 1.282 6.164 6.110 1.00 0.13 H new ATOM 0 HA PHE A 31 2.762 8.537 7.097 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.693 6.565 8.604 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.229 5.812 8.221 1.00 0.17 H new ATOM 0 HD1 PHE A 31 1.704 8.881 9.655 1.00 0.37 H new ATOM 0 HD2 PHE A 31 5.225 6.509 9.302 1.00 0.29 H new ATOM 0 HE1 PHE A 31 2.794 10.248 11.377 1.00 0.45 H new ATOM 0 HE2 PHE A 31 6.317 7.872 11.030 1.00 0.36 H new ATOM 0 HZ PHE A 31 5.105 9.750 12.064 1.00 0.42 H new ATOM 525 N GLN A 32 5.124 7.337 6.596 1.00 0.14 N ATOM 526 CA GLN A 32 6.341 7.085 5.837 1.00 0.16 C ATOM 527 C GLN A 32 7.134 5.945 6.460 1.00 0.17 C ATOM 528 O GLN A 32 7.230 5.844 7.682 1.00 0.20 O ATOM 529 CB GLN A 32 7.212 8.351 5.783 1.00 0.21 C ATOM 530 CG GLN A 32 7.528 8.938 7.153 1.00 0.76 C ATOM 531 CD GLN A 32 6.646 10.116 7.507 1.00 0.33 C ATOM 532 OE1 GLN A 32 5.460 10.146 6.933 1.00 0.51 O flip ATOM 533 NE2 GLN A 32 7.036 10.995 8.271 1.00 0.52 N flip ATOM 0 H GLN A 32 5.277 7.765 7.509 1.00 0.14 H new ATOM 0 HA GLN A 32 6.056 6.805 4.823 1.00 0.16 H new ATOM 0 HB2 GLN A 32 8.147 8.116 5.274 1.00 0.21 H new ATOM 0 HB3 GLN A 32 6.703 9.106 5.183 1.00 0.21 H new ATOM 0 HG2 GLN A 32 7.411 8.163 7.910 1.00 0.76 H new ATOM 0 HG3 GLN A 32 8.572 9.252 7.176 1.00 0.76 H new ATOM 0 HE21 GLN A 32 7.963 10.930 8.693 1.00 0.52 H new ATOM 0 HE22 GLN A 32 6.433 11.790 8.484 1.00 0.52 H new ATOM 542 N ALA A 33 7.690 5.080 5.621 1.00 0.18 N ATOM 543 CA ALA A 33 8.505 3.975 6.096 1.00 0.19 C ATOM 544 C ALA A 33 9.794 3.833 5.295 1.00 0.18 C ATOM 545 O ALA A 33 9.774 3.764 4.062 1.00 0.20 O ATOM 546 CB ALA A 33 7.718 2.678 6.058 1.00 0.20 C ATOM 0 H ALA A 33 7.590 5.125 4.607 1.00 0.18 H new ATOM 0 HA ALA A 33 8.780 4.195 7.128 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.345 1.862 6.417 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.838 2.768 6.695 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.405 2.472 5.034 1.00 0.20 H new ATOM 552 N ALA A 34 10.911 3.812 6.021 1.00 0.18 N ATOM 553 CA ALA A 34 12.221 3.581 5.433 1.00 0.20 C ATOM 554 C ALA A 34 12.605 2.109 5.541 1.00 0.17 C ATOM 555 O ALA A 34 13.602 1.674 4.981 1.00 0.21 O ATOM 556 CB ALA A 34 13.260 4.450 6.116 1.00 0.27 C ATOM 0 H ALA A 34 10.929 3.955 7.031 1.00 0.18 H new ATOM 0 HA ALA A 34 12.180 3.847 4.377 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.237 4.269 5.668 1.00 0.27 H new ATOM 0 HB2 ALA A 34 12.994 5.500 5.994 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.297 4.206 7.178 1.00 0.27 H new ATOM 562 N ASN A 35 11.826 1.350 6.293 1.00 0.16 N ATOM 563 CA ASN A 35 11.980 -0.099 6.327 1.00 0.20 C ATOM 564 C ASN A 35 10.615 -0.721 6.502 1.00 0.21 C ATOM 565 O ASN A 35 9.709 -0.080 7.035 1.00 0.18 O ATOM 566 CB ASN A 35 12.896 -0.580 7.470 1.00 0.25 C ATOM 567 CG ASN A 35 13.688 0.526 8.143 1.00 0.27 C ATOM 568 OD1 ASN A 35 13.189 1.010 9.270 1.00 0.39 O flip ATOM 569 ND2 ASN A 35 14.757 0.913 7.677 1.00 0.22 N flip ATOM 0 H ASN A 35 11.080 1.710 6.889 1.00 0.16 H new ATOM 0 HA ASN A 35 12.447 -0.403 5.390 1.00 0.20 H new ATOM 0 HB2 ASN A 35 12.287 -1.083 8.221 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.592 -1.321 7.075 1.00 0.25 H new ATOM 0 HD21 ASN A 35 15.108 0.515 6.806 1.00 0.22 H new ATOM 0 HD22 ASN A 35 15.294 1.632 8.161 1.00 0.22 H new ATOM 576 N GLY A 36 10.458 -1.957 6.058 1.00 0.29 N ATOM 577 CA GLY A 36 9.228 -2.677 6.322 1.00 0.33 C ATOM 578 C GLY A 36 9.016 -2.854 7.812 1.00 0.30 C ATOM 579 O GLY A 36 7.894 -2.952 8.292 1.00 0.30 O ATOM 0 H GLY A 36 11.155 -2.474 5.522 1.00 0.29 H new ATOM 0 HA2 GLY A 36 8.385 -2.136 5.892 1.00 0.33 H new ATOM 0 HA3 GLY A 36 9.261 -3.652 5.837 1.00 0.33 H new ATOM 583 N LEU A 37 10.123 -2.873 8.533 1.00 0.31 N ATOM 584 CA LEU A 37 10.112 -2.953 9.988 1.00 0.31 C ATOM 585 C LEU A 37 9.588 -1.652 10.574 1.00 0.24 C ATOM 586 O LEU A 37 8.889 -1.648 11.581 1.00 0.25 O ATOM 587 CB LEU A 37 11.523 -3.249 10.510 1.00 0.40 C ATOM 588 CG LEU A 37 11.936 -4.732 10.537 1.00 0.76 C ATOM 589 CD1 LEU A 37 11.238 -5.456 11.679 1.00 1.52 C ATOM 590 CD2 LEU A 37 11.621 -5.424 9.218 1.00 1.36 C ATOM 0 H LEU A 37 11.058 -2.833 8.128 1.00 0.31 H new ATOM 0 HA LEU A 37 9.453 -3.765 10.296 1.00 0.31 H new ATOM 0 HB2 LEU A 37 12.238 -2.704 9.894 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.606 -2.851 11.521 1.00 0.40 H new ATOM 0 HG LEU A 37 13.014 -4.770 10.691 1.00 0.76 H new ATOM 0 HD11 LEU A 37 11.540 -6.503 11.685 1.00 1.52 H new ATOM 0 HD12 LEU A 37 11.515 -4.993 12.626 1.00 1.52 H new ATOM 0 HD13 LEU A 37 10.158 -5.391 11.545 1.00 1.52 H new ATOM 0 HD21 LEU A 37 11.926 -6.469 9.273 1.00 1.36 H new ATOM 0 HD22 LEU A 37 10.550 -5.368 9.025 1.00 1.36 H new ATOM 0 HD23 LEU A 37 12.162 -4.931 8.410 1.00 1.36 H new ATOM 602 N GLN A 38 9.911 -0.547 9.912 1.00 0.20 N ATOM 603 CA GLN A 38 9.384 0.750 10.291 1.00 0.16 C ATOM 604 C GLN A 38 7.885 0.760 10.004 1.00 0.16 C ATOM 605 O GLN A 38 7.086 1.330 10.746 1.00 0.17 O ATOM 606 CB GLN A 38 10.113 1.852 9.508 1.00 0.15 C ATOM 607 CG GLN A 38 10.086 3.225 10.168 1.00 0.19 C ATOM 608 CD GLN A 38 8.718 3.873 10.150 1.00 0.23 C ATOM 609 OE1 GLN A 38 7.946 3.594 9.113 1.00 0.50 O flip ATOM 610 NE2 GLN A 38 8.366 4.631 11.052 1.00 0.17 N flip ATOM 0 H GLN A 38 10.538 -0.528 9.108 1.00 0.20 H new ATOM 0 HA GLN A 38 9.544 0.938 11.353 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.151 1.552 9.366 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.666 1.931 8.517 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.422 3.130 11.201 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.796 3.878 9.661 1.00 0.19 H new ATOM 0 HE21 GLN A 38 8.993 4.819 11.834 1.00 0.17 H new ATOM 0 HE22 GLN A 38 7.447 5.072 11.018 1.00 0.17 H new ATOM 619 N ALA A 39 7.510 0.097 8.920 1.00 0.18 N ATOM 620 CA ALA A 39 6.111 -0.048 8.559 1.00 0.22 C ATOM 621 C ALA A 39 5.395 -0.914 9.586 1.00 0.27 C ATOM 622 O ALA A 39 4.208 -0.734 9.848 1.00 0.32 O ATOM 623 CB ALA A 39 5.989 -0.645 7.168 1.00 0.25 C ATOM 0 H ALA A 39 8.160 -0.350 8.274 1.00 0.18 H new ATOM 0 HA ALA A 39 5.640 0.935 8.551 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.936 -0.749 6.908 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.478 0.010 6.447 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.466 -1.625 7.150 1.00 0.25 H new ATOM 629 N LEU A 40 6.137 -1.845 10.173 1.00 0.29 N ATOM 630 CA LEU A 40 5.621 -2.697 11.227 1.00 0.33 C ATOM 631 C LEU A 40 5.388 -1.842 12.464 1.00 0.29 C ATOM 632 O LEU A 40 4.372 -1.964 13.154 1.00 0.30 O ATOM 633 CB LEU A 40 6.634 -3.814 11.506 1.00 0.39 C ATOM 634 CG LEU A 40 6.085 -5.076 12.190 1.00 0.47 C ATOM 635 CD1 LEU A 40 7.091 -6.211 12.081 1.00 1.47 C ATOM 636 CD2 LEU A 40 5.756 -4.816 13.653 1.00 1.42 C ATOM 0 H LEU A 40 7.111 -2.027 9.930 1.00 0.29 H new ATOM 0 HA LEU A 40 4.677 -3.157 10.934 1.00 0.33 H new ATOM 0 HB2 LEU A 40 7.088 -4.108 10.560 1.00 0.39 H new ATOM 0 HB3 LEU A 40 7.430 -3.406 12.129 1.00 0.39 H new ATOM 0 HG LEU A 40 5.164 -5.358 11.680 1.00 0.47 H new ATOM 0 HD11 LEU A 40 6.691 -7.100 12.569 1.00 1.47 H new ATOM 0 HD12 LEU A 40 7.281 -6.429 11.030 1.00 1.47 H new ATOM 0 HD13 LEU A 40 8.023 -5.919 12.566 1.00 1.47 H new ATOM 0 HD21 LEU A 40 5.370 -5.729 14.107 1.00 1.42 H new ATOM 0 HD22 LEU A 40 6.658 -4.503 14.179 1.00 1.42 H new ATOM 0 HD23 LEU A 40 5.004 -4.030 13.723 1.00 1.42 H new ATOM 648 N ASP A 41 6.331 -0.949 12.710 1.00 0.27 N ATOM 649 CA ASP A 41 6.210 0.026 13.779 1.00 0.27 C ATOM 650 C ASP A 41 4.896 0.781 13.654 1.00 0.26 C ATOM 651 O ASP A 41 4.130 0.880 14.605 1.00 0.32 O ATOM 652 CB ASP A 41 7.377 1.014 13.748 1.00 0.27 C ATOM 653 CG ASP A 41 8.581 0.537 14.533 1.00 0.55 C ATOM 654 OD1 ASP A 41 8.536 0.552 15.781 1.00 0.86 O ATOM 655 OD2 ASP A 41 9.570 0.112 13.902 1.00 1.31 O ATOM 0 H ASP A 41 7.198 -0.880 12.177 1.00 0.27 H new ATOM 0 HA ASP A 41 6.230 -0.508 14.729 1.00 0.27 H new ATOM 0 HB2 ASP A 41 7.671 1.187 12.713 1.00 0.27 H new ATOM 0 HB3 ASP A 41 7.045 1.972 14.149 1.00 0.27 H new ATOM 660 N ILE A 42 4.617 1.287 12.463 1.00 0.22 N ATOM 661 CA ILE A 42 3.385 2.030 12.247 1.00 0.23 C ATOM 662 C ILE A 42 2.177 1.102 12.230 1.00 0.24 C ATOM 663 O ILE A 42 1.110 1.473 12.705 1.00 0.26 O ATOM 664 CB ILE A 42 3.392 2.856 10.949 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.617 3.778 10.890 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.101 3.661 10.853 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.766 4.682 12.099 1.00 0.22 C ATOM 0 H ILE A 42 5.216 1.199 11.642 1.00 0.22 H new ATOM 0 HA ILE A 42 3.316 2.722 13.086 1.00 0.23 H new ATOM 0 HB ILE A 42 3.453 2.177 10.098 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.515 3.167 10.793 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.552 4.395 9.994 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.105 4.247 9.934 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.248 2.982 10.847 1.00 0.28 H new ATOM 0 HG23 ILE A 42 2.025 4.331 11.710 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.655 5.302 11.982 1.00 0.22 H new ATOM 0 HD12 ILE A 42 3.887 5.320 12.187 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.864 4.074 12.998 1.00 0.22 H new ATOM 679 N VAL A 43 2.327 -0.108 11.709 1.00 0.25 N ATOM 680 CA VAL A 43 1.194 -1.019 11.646 1.00 0.29 C ATOM 681 C VAL A 43 0.758 -1.426 13.054 1.00 0.36 C ATOM 682 O VAL A 43 -0.376 -1.843 13.260 1.00 0.44 O ATOM 683 CB VAL A 43 1.470 -2.277 10.784 1.00 0.36 C ATOM 684 CG1 VAL A 43 2.222 -3.348 11.562 1.00 0.86 C ATOM 685 CG2 VAL A 43 0.165 -2.830 10.232 1.00 0.82 C ATOM 0 H VAL A 43 3.201 -0.475 11.332 1.00 0.25 H new ATOM 0 HA VAL A 43 0.386 -0.476 11.155 1.00 0.29 H new ATOM 0 HB VAL A 43 2.109 -1.976 9.954 1.00 0.36 H new ATOM 0 HG11 VAL A 43 2.394 -4.211 10.919 1.00 0.86 H new ATOM 0 HG12 VAL A 43 3.179 -2.949 11.898 1.00 0.86 H new ATOM 0 HG13 VAL A 43 1.632 -3.651 12.427 1.00 0.86 H new ATOM 0 HG21 VAL A 43 0.371 -3.714 9.628 1.00 0.82 H new ATOM 0 HG22 VAL A 43 -0.494 -3.100 11.057 1.00 0.82 H new ATOM 0 HG23 VAL A 43 -0.319 -2.073 9.615 1.00 0.82 H new ATOM 695 N THR A 44 1.654 -1.284 14.026 1.00 0.36 N ATOM 696 CA THR A 44 1.290 -1.523 15.415 1.00 0.43 C ATOM 697 C THR A 44 0.978 -0.198 16.120 1.00 0.44 C ATOM 698 O THR A 44 0.302 -0.176 17.147 1.00 0.52 O ATOM 699 CB THR A 44 2.381 -2.313 16.185 1.00 0.45 C ATOM 700 OG1 THR A 44 1.892 -2.702 17.476 1.00 0.54 O ATOM 701 CG2 THR A 44 3.650 -1.494 16.358 1.00 0.42 C ATOM 0 H THR A 44 2.625 -1.008 13.879 1.00 0.36 H new ATOM 0 HA THR A 44 0.394 -2.144 15.413 1.00 0.43 H new ATOM 0 HB THR A 44 2.620 -3.198 15.595 1.00 0.45 H new ATOM 0 HG1 THR A 44 2.588 -3.201 17.953 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.390 -2.081 16.902 1.00 0.42 H new ATOM 0 HG22 THR A 44 4.047 -1.227 15.379 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.424 -0.587 16.918 1.00 0.42 H new ATOM 709 N LYS A 45 1.452 0.910 15.544 1.00 0.39 N ATOM 710 CA LYS A 45 1.192 2.238 16.100 1.00 0.41 C ATOM 711 C LYS A 45 -0.127 2.825 15.603 1.00 0.40 C ATOM 712 O LYS A 45 -1.053 3.041 16.382 1.00 0.45 O ATOM 713 CB LYS A 45 2.326 3.186 15.716 1.00 0.40 C ATOM 714 CG LYS A 45 3.548 3.097 16.616 1.00 0.47 C ATOM 715 CD LYS A 45 4.682 3.975 16.105 1.00 0.56 C ATOM 716 CE LYS A 45 4.261 5.430 15.971 1.00 1.19 C ATOM 717 NZ LYS A 45 3.839 6.016 17.272 1.00 2.01 N ATOM 0 H LYS A 45 2.017 0.913 14.695 1.00 0.39 H new ATOM 0 HA LYS A 45 1.128 2.128 17.183 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.629 2.975 14.690 1.00 0.40 H new ATOM 0 HB3 LYS A 45 1.950 4.209 15.733 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.279 3.400 17.628 1.00 0.47 H new ATOM 0 HG3 LYS A 45 3.885 2.062 16.673 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.530 3.904 16.786 1.00 0.56 H new ATOM 0 HD3 LYS A 45 5.019 3.605 15.137 1.00 0.56 H new ATOM 0 HE2 LYS A 45 5.090 6.010 15.565 1.00 1.19 H new ATOM 0 HE3 LYS A 45 3.440 5.505 15.258 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 3.658 7.033 17.152 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 2.971 5.546 17.599 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 4.593 5.879 17.975 1.00 2.01 H new ATOM 731 N GLU A 46 -0.212 3.070 14.303 1.00 0.35 N ATOM 732 CA GLU A 46 -1.400 3.665 13.712 1.00 0.37 C ATOM 733 C GLU A 46 -2.320 2.587 13.167 1.00 0.37 C ATOM 734 O GLU A 46 -3.526 2.800 13.016 1.00 0.41 O ATOM 735 CB GLU A 46 -0.994 4.622 12.594 1.00 0.36 C ATOM 736 CG GLU A 46 0.008 5.668 13.044 1.00 0.39 C ATOM 737 CD GLU A 46 0.323 6.693 11.979 1.00 1.36 C ATOM 738 OE1 GLU A 46 0.252 6.359 10.780 1.00 2.00 O ATOM 739 OE2 GLU A 46 0.640 7.844 12.346 1.00 2.01 O ATOM 0 H GLU A 46 0.532 2.864 13.636 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.937 4.219 14.482 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.568 4.050 11.770 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.884 5.121 12.209 1.00 0.36 H new ATOM 0 HG2 GLU A 46 -0.381 6.178 13.925 1.00 0.39 H new ATOM 0 HG3 GLU A 46 0.931 5.171 13.344 1.00 0.39 H new ATOM 746 N ARG A 47 -1.734 1.425 12.890 1.00 0.35 N ATOM 747 CA ARG A 47 -2.452 0.296 12.314 1.00 0.35 C ATOM 748 C ARG A 47 -3.115 0.665 10.987 1.00 0.26 C ATOM 749 O ARG A 47 -4.317 0.451 10.834 1.00 0.31 O ATOM 750 CB ARG A 47 -3.524 -0.233 13.273 1.00 0.48 C ATOM 751 CG ARG A 47 -2.994 -1.101 14.389 1.00 0.73 C ATOM 752 CD ARG A 47 -2.413 -0.246 15.482 1.00 1.59 C ATOM 753 NE ARG A 47 -3.446 0.314 16.354 1.00 2.33 N ATOM 754 CZ ARG A 47 -3.427 0.213 17.682 1.00 3.40 C ATOM 755 NH1 ARG A 47 -2.379 -0.331 18.292 1.00 3.94 N ATOM 756 NH2 ARG A 47 -4.438 0.695 18.400 1.00 4.15 N ATOM 0 H ARG A 47 -0.745 1.241 13.060 1.00 0.35 H new ATOM 0 HA ARG A 47 -1.710 -0.482 12.137 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -4.053 0.614 13.709 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.255 -0.805 12.701 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -3.796 -1.721 14.790 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -2.232 -1.777 14.003 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -1.721 -0.841 16.077 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -1.836 0.565 15.038 1.00 1.59 H new ATOM 0 HE ARG A 47 -4.225 0.810 15.920 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -1.589 -0.671 17.743 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -2.364 -0.408 19.309 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -5.227 1.142 17.933 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -4.424 0.618 19.417 1.00 4.15 H new ATOM 770 N PRO A 48 -2.363 1.208 9.997 1.00 0.19 N ATOM 771 CA PRO A 48 -2.955 1.622 8.726 1.00 0.17 C ATOM 772 C PRO A 48 -3.640 0.450 8.027 1.00 0.22 C ATOM 773 O PRO A 48 -3.269 -0.704 8.228 1.00 0.33 O ATOM 774 CB PRO A 48 -1.786 2.135 7.897 1.00 0.19 C ATOM 775 CG PRO A 48 -0.669 2.356 8.861 1.00 0.22 C ATOM 776 CD PRO A 48 -0.903 1.420 10.016 1.00 0.22 C ATOM 0 HA PRO A 48 -3.725 2.381 8.867 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.504 1.413 7.131 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -2.047 3.060 7.383 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.294 2.157 8.390 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.650 3.392 9.200 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.360 0.483 9.890 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.573 1.856 10.959 1.00 0.22 H new ATOM 784 N ASP A 49 -4.638 0.745 7.211 1.00 0.23 N ATOM 785 CA ASP A 49 -5.463 -0.302 6.618 1.00 0.29 C ATOM 786 C ASP A 49 -4.985 -0.625 5.209 1.00 0.25 C ATOM 787 O ASP A 49 -5.330 -1.663 4.639 1.00 0.31 O ATOM 788 CB ASP A 49 -6.932 0.127 6.612 1.00 0.37 C ATOM 789 CG ASP A 49 -7.889 -1.035 6.421 1.00 1.20 C ATOM 790 OD1 ASP A 49 -7.593 -2.149 6.905 1.00 1.40 O ATOM 791 OD2 ASP A 49 -8.958 -0.834 5.810 1.00 2.12 O ATOM 0 H ASP A 49 -4.898 1.694 6.943 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.370 -1.206 7.220 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -7.162 0.629 7.552 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -7.089 0.854 5.815 1.00 0.37 H new ATOM 796 N LEU A 50 -4.194 0.274 4.638 1.00 0.21 N ATOM 797 CA LEU A 50 -3.542 0.004 3.368 1.00 0.22 C ATOM 798 C LEU A 50 -2.047 0.195 3.516 1.00 0.19 C ATOM 799 O LEU A 50 -1.609 1.080 4.235 1.00 0.20 O ATOM 800 CB LEU A 50 -4.070 0.917 2.256 1.00 0.28 C ATOM 801 CG LEU A 50 -5.557 0.775 1.914 1.00 0.46 C ATOM 802 CD1 LEU A 50 -6.423 1.626 2.833 1.00 1.39 C ATOM 803 CD2 LEU A 50 -5.800 1.130 0.455 1.00 1.21 C ATOM 0 H LEU A 50 -3.990 1.192 5.034 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.762 -1.026 3.088 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -3.882 1.951 2.544 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -3.491 0.727 1.352 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.841 -0.266 2.070 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -7.472 1.502 2.563 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -6.275 1.312 3.866 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -6.143 2.674 2.729 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -6.861 1.024 0.227 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -5.491 2.159 0.275 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -5.223 0.461 -0.183 1.00 1.21 H new ATOM 815 N VAL A 51 -1.267 -0.650 2.866 1.00 0.22 N ATOM 816 CA VAL A 51 0.180 -0.554 2.939 1.00 0.23 C ATOM 817 C VAL A 51 0.819 -0.501 1.560 1.00 0.27 C ATOM 818 O VAL A 51 0.763 -1.456 0.793 1.00 0.48 O ATOM 819 CB VAL A 51 0.801 -1.725 3.717 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.321 -1.661 3.657 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.325 -1.726 5.160 1.00 0.40 C ATOM 0 H VAL A 51 -1.612 -1.411 2.281 1.00 0.22 H new ATOM 0 HA VAL A 51 0.382 0.377 3.468 1.00 0.23 H new ATOM 0 HB VAL A 51 0.476 -2.654 3.249 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.743 -2.498 4.213 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.647 -1.715 2.618 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.663 -0.724 4.096 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.777 -2.563 5.692 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.616 -0.792 5.640 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -0.760 -1.824 5.185 1.00 0.40 H new ATOM 831 N LEU A 52 1.408 0.630 1.270 1.00 0.23 N ATOM 832 CA LEU A 52 2.293 0.803 0.138 1.00 0.26 C ATOM 833 C LEU A 52 3.658 0.240 0.489 1.00 0.23 C ATOM 834 O LEU A 52 4.286 0.701 1.435 1.00 0.26 O ATOM 835 CB LEU A 52 2.417 2.291 -0.194 1.00 0.30 C ATOM 836 CG LEU A 52 1.339 2.843 -1.126 1.00 0.45 C ATOM 837 CD1 LEU A 52 1.675 4.258 -1.558 1.00 1.08 C ATOM 838 CD2 LEU A 52 1.158 1.945 -2.341 1.00 1.37 C ATOM 0 H LEU A 52 1.286 1.478 1.824 1.00 0.23 H new ATOM 0 HA LEU A 52 1.891 0.278 -0.729 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.394 2.857 0.737 1.00 0.30 H new ATOM 0 HB3 LEU A 52 3.392 2.465 -0.649 1.00 0.30 H new ATOM 0 HG LEU A 52 0.399 2.865 -0.575 1.00 0.45 H new ATOM 0 HD11 LEU A 52 0.894 4.631 -2.221 1.00 1.08 H new ATOM 0 HD12 LEU A 52 1.743 4.900 -0.680 1.00 1.08 H new ATOM 0 HD13 LEU A 52 2.630 4.261 -2.084 1.00 1.08 H new ATOM 0 HD21 LEU A 52 0.385 2.360 -2.988 1.00 1.37 H new ATOM 0 HD22 LEU A 52 2.097 1.883 -2.891 1.00 1.37 H new ATOM 0 HD23 LEU A 52 0.862 0.948 -2.016 1.00 1.37 H new ATOM 850 N LEU A 53 4.120 -0.753 -0.249 1.00 0.22 N ATOM 851 CA LEU A 53 5.353 -1.424 0.133 1.00 0.22 C ATOM 852 C LEU A 53 6.358 -1.484 -1.016 1.00 0.19 C ATOM 853 O LEU A 53 6.031 -1.923 -2.124 1.00 0.20 O ATOM 854 CB LEU A 53 5.019 -2.839 0.640 1.00 0.31 C ATOM 855 CG LEU A 53 6.160 -3.616 1.320 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.202 -4.068 0.312 1.00 1.20 C ATOM 857 CD2 LEU A 53 6.807 -2.777 2.409 1.00 0.96 C ATOM 0 H LEU A 53 3.675 -1.107 -1.096 1.00 0.22 H new ATOM 0 HA LEU A 53 5.825 -0.847 0.928 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.192 -2.761 1.346 1.00 0.31 H new ATOM 0 HB3 LEU A 53 4.662 -3.428 -0.205 1.00 0.31 H new ATOM 0 HG LEU A 53 5.726 -4.506 1.776 1.00 0.49 H new ATOM 0 HD11 LEU A 53 7.993 -4.614 0.826 1.00 1.20 H new ATOM 0 HD12 LEU A 53 6.735 -4.718 -0.428 1.00 1.20 H new ATOM 0 HD13 LEU A 53 7.627 -3.197 -0.187 1.00 1.20 H new ATOM 0 HD21 LEU A 53 7.611 -3.345 2.877 1.00 0.96 H new ATOM 0 HD22 LEU A 53 7.214 -1.865 1.972 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.061 -2.518 3.160 1.00 0.96 H new ATOM 869 N ASP A 54 7.582 -1.023 -0.743 1.00 0.20 N ATOM 870 CA ASP A 54 8.714 -1.317 -1.602 1.00 0.19 C ATOM 871 C ASP A 54 9.713 -2.210 -0.863 1.00 0.18 C ATOM 872 O ASP A 54 10.018 -1.987 0.309 1.00 0.24 O ATOM 873 CB ASP A 54 9.406 -0.041 -2.078 1.00 0.23 C ATOM 874 CG ASP A 54 10.511 -0.344 -3.065 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.488 -1.446 -3.659 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.408 0.501 -3.246 1.00 0.83 O ATOM 0 H ASP A 54 7.806 -0.446 0.068 1.00 0.20 H new ATOM 0 HA ASP A 54 8.339 -1.840 -2.481 1.00 0.19 H new ATOM 0 HB2 ASP A 54 8.674 0.620 -2.542 1.00 0.23 H new ATOM 0 HB3 ASP A 54 9.818 0.492 -1.221 1.00 0.23 H new ATOM 881 N MET A 55 10.191 -3.238 -1.547 1.00 0.27 N ATOM 882 CA MET A 55 11.176 -4.158 -0.997 1.00 0.31 C ATOM 883 C MET A 55 12.582 -3.700 -1.371 1.00 0.32 C ATOM 884 O MET A 55 13.568 -4.111 -0.758 1.00 0.43 O ATOM 885 CB MET A 55 10.878 -5.596 -1.471 1.00 0.38 C ATOM 886 CG MET A 55 12.093 -6.500 -1.641 1.00 0.48 C ATOM 887 SD MET A 55 12.932 -6.244 -3.218 1.00 1.23 S ATOM 888 CE MET A 55 14.318 -7.363 -3.047 1.00 1.60 C ATOM 0 H MET A 55 9.907 -3.459 -2.501 1.00 0.27 H new ATOM 0 HA MET A 55 11.115 -4.158 0.091 1.00 0.31 H new ATOM 0 HB2 MET A 55 10.199 -6.061 -0.756 1.00 0.38 H new ATOM 0 HB3 MET A 55 10.351 -5.543 -2.424 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.794 -6.317 -0.827 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.780 -7.541 -1.565 1.00 0.48 H new ATOM 0 HE1 MET A 55 14.934 -7.319 -3.945 1.00 1.60 H new ATOM 0 HE2 MET A 55 14.915 -7.073 -2.183 1.00 1.60 H new ATOM 0 HE3 MET A 55 13.950 -8.380 -2.909 1.00 1.60 H new ATOM 898 N LYS A 56 12.660 -2.789 -2.343 1.00 0.29 N ATOM 899 CA LYS A 56 13.933 -2.182 -2.728 1.00 0.35 C ATOM 900 C LYS A 56 14.267 -1.082 -1.727 1.00 0.30 C ATOM 901 O LYS A 56 15.187 -0.287 -1.930 1.00 0.37 O ATOM 902 CB LYS A 56 13.857 -1.554 -4.127 1.00 0.49 C ATOM 903 CG LYS A 56 12.923 -2.255 -5.098 1.00 0.76 C ATOM 904 CD LYS A 56 12.409 -1.261 -6.129 1.00 1.11 C ATOM 905 CE LYS A 56 11.102 -1.698 -6.762 1.00 1.26 C ATOM 906 NZ LYS A 56 10.474 -0.582 -7.514 1.00 2.37 N ATOM 0 H LYS A 56 11.857 -2.456 -2.877 1.00 0.29 H new ATOM 0 HA LYS A 56 14.696 -2.960 -2.738 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.539 -0.516 -4.026 1.00 0.49 H new ATOM 0 HB3 LYS A 56 14.859 -1.540 -4.557 1.00 0.49 H new ATOM 0 HG2 LYS A 56 13.447 -3.071 -5.596 1.00 0.76 H new ATOM 0 HG3 LYS A 56 12.086 -2.697 -4.557 1.00 0.76 H new ATOM 0 HD2 LYS A 56 12.271 -0.290 -5.654 1.00 1.11 H new ATOM 0 HD3 LYS A 56 13.160 -1.131 -6.908 1.00 1.11 H new ATOM 0 HE2 LYS A 56 11.282 -2.537 -7.434 1.00 1.26 H new ATOM 0 HE3 LYS A 56 10.419 -2.049 -5.989 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 9.439 -0.683 -7.485 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 10.746 0.324 -7.082 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 10.797 -0.604 -8.502 1.00 2.37 H new ATOM 920 N ILE A 57 13.513 -1.061 -0.640 1.00 0.24 N ATOM 921 CA ILE A 57 13.620 -0.026 0.361 1.00 0.24 C ATOM 922 C ILE A 57 14.852 -0.303 1.238 1.00 0.29 C ATOM 923 O ILE A 57 15.015 -1.398 1.784 1.00 0.32 O ATOM 924 CB ILE A 57 12.290 0.047 1.181 1.00 0.22 C ATOM 925 CG1 ILE A 57 11.877 1.494 1.398 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.372 -0.687 2.513 1.00 0.25 C ATOM 927 CD1 ILE A 57 12.824 2.293 2.247 1.00 0.29 C ATOM 0 H ILE A 57 12.808 -1.768 -0.431 1.00 0.24 H new ATOM 0 HA ILE A 57 13.761 0.951 -0.100 1.00 0.24 H new ATOM 0 HB ILE A 57 11.530 -0.462 0.588 1.00 0.22 H new ATOM 0 HG12 ILE A 57 11.781 1.980 0.427 1.00 0.24 H new ATOM 0 HG13 ILE A 57 10.891 1.511 1.862 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.419 -0.600 3.035 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.594 -1.739 2.336 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.161 -0.247 3.123 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.450 3.312 2.348 1.00 0.29 H new ATOM 0 HD12 ILE A 57 12.903 1.836 3.233 1.00 0.29 H new ATOM 0 HD13 ILE A 57 13.807 2.312 1.776 1.00 0.29 H new ATOM 939 N PRO A 58 15.784 0.663 1.295 1.00 0.33 N ATOM 940 CA PRO A 58 17.032 0.525 2.052 1.00 0.38 C ATOM 941 C PRO A 58 16.790 0.266 3.532 1.00 0.37 C ATOM 942 O PRO A 58 16.184 1.079 4.225 1.00 0.37 O ATOM 943 CB PRO A 58 17.731 1.866 1.859 1.00 0.43 C ATOM 944 CG PRO A 58 17.105 2.468 0.650 1.00 0.41 C ATOM 945 CD PRO A 58 15.696 1.964 0.613 1.00 0.36 C ATOM 0 HA PRO A 58 17.616 -0.326 1.703 1.00 0.38 H new ATOM 0 HB2 PRO A 58 17.598 2.507 2.731 1.00 0.43 H new ATOM 0 HB3 PRO A 58 18.804 1.733 1.721 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.128 3.557 0.701 1.00 0.41 H new ATOM 0 HG3 PRO A 58 17.645 2.180 -0.252 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.013 2.641 1.125 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.333 1.859 -0.409 1.00 0.36 H new ATOM 953 N GLY A 59 17.288 -0.861 4.012 1.00 0.41 N ATOM 954 CA GLY A 59 17.066 -1.245 5.387 1.00 0.44 C ATOM 955 C GLY A 59 16.690 -2.699 5.503 1.00 0.42 C ATOM 956 O GLY A 59 17.518 -3.546 5.837 1.00 0.55 O ATOM 0 H GLY A 59 17.846 -1.520 3.469 1.00 0.41 H new ATOM 0 HA2 GLY A 59 17.968 -1.054 5.969 1.00 0.44 H new ATOM 0 HA3 GLY A 59 16.275 -0.629 5.814 1.00 0.44 H new ATOM 960 N MET A 60 15.437 -2.984 5.202 1.00 0.38 N ATOM 961 CA MET A 60 14.915 -4.342 5.264 1.00 0.39 C ATOM 962 C MET A 60 14.176 -4.687 3.982 1.00 0.36 C ATOM 963 O MET A 60 13.822 -3.802 3.204 1.00 0.34 O ATOM 964 CB MET A 60 13.965 -4.512 6.451 1.00 0.40 C ATOM 965 CG MET A 60 14.645 -4.420 7.812 1.00 0.53 C ATOM 966 SD MET A 60 15.845 -5.738 8.078 1.00 0.78 S ATOM 967 CE MET A 60 16.497 -5.284 9.684 1.00 1.51 C ATOM 0 H MET A 60 14.753 -2.287 4.909 1.00 0.38 H new ATOM 0 HA MET A 60 15.763 -5.015 5.389 1.00 0.39 H new ATOM 0 HB2 MET A 60 13.188 -3.749 6.393 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.469 -5.479 6.370 1.00 0.40 H new ATOM 0 HG2 MET A 60 15.145 -3.455 7.900 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.888 -4.459 8.595 1.00 0.53 H new ATOM 0 HE1 MET A 60 17.254 -6.007 9.987 1.00 1.51 H new ATOM 0 HE2 MET A 60 16.945 -4.292 9.628 1.00 1.51 H new ATOM 0 HE3 MET A 60 15.689 -5.276 10.416 1.00 1.51 H new ATOM 977 N ASP A 61 13.911 -5.971 3.782 1.00 0.38 N ATOM 978 CA ASP A 61 13.206 -6.419 2.588 1.00 0.38 C ATOM 979 C ASP A 61 11.720 -6.359 2.836 1.00 0.32 C ATOM 980 O ASP A 61 11.152 -7.242 3.480 1.00 0.33 O ATOM 981 CB ASP A 61 13.587 -7.837 2.183 1.00 0.48 C ATOM 982 CG ASP A 61 15.083 -8.044 2.057 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.741 -8.334 3.079 1.00 0.84 O ATOM 984 OD2 ASP A 61 15.608 -7.937 0.927 1.00 0.88 O ATOM 0 H ASP A 61 14.172 -6.717 4.427 1.00 0.38 H new ATOM 0 HA ASP A 61 13.492 -5.755 1.772 1.00 0.38 H new ATOM 0 HB2 ASP A 61 13.191 -8.536 2.920 1.00 0.48 H new ATOM 0 HB3 ASP A 61 13.113 -8.075 1.231 1.00 0.48 H new ATOM 989 N GLY A 62 11.094 -5.309 2.329 1.00 0.33 N ATOM 990 CA GLY A 62 9.683 -5.096 2.559 1.00 0.37 C ATOM 991 C GLY A 62 8.820 -6.240 2.068 1.00 0.36 C ATOM 992 O GLY A 62 7.689 -6.392 2.521 1.00 0.40 O ATOM 0 H GLY A 62 11.544 -4.594 1.757 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.513 -4.953 3.626 1.00 0.37 H new ATOM 0 HA3 GLY A 62 9.375 -4.177 2.061 1.00 0.37 H new ATOM 996 N ILE A 63 9.344 -7.029 1.133 1.00 0.35 N ATOM 997 CA ILE A 63 8.630 -8.189 0.614 1.00 0.36 C ATOM 998 C ILE A 63 8.092 -9.074 1.750 1.00 0.32 C ATOM 999 O ILE A 63 6.896 -9.370 1.805 1.00 0.33 O ATOM 1000 CB ILE A 63 9.522 -9.014 -0.356 1.00 0.42 C ATOM 1001 CG1 ILE A 63 8.783 -10.267 -0.836 1.00 0.64 C ATOM 1002 CG2 ILE A 63 10.851 -9.383 0.294 1.00 0.39 C ATOM 1003 CD1 ILE A 63 9.572 -11.102 -1.824 1.00 1.60 C ATOM 0 H ILE A 63 10.265 -6.884 0.719 1.00 0.35 H new ATOM 0 HA ILE A 63 7.775 -7.817 0.050 1.00 0.36 H new ATOM 0 HB ILE A 63 9.739 -8.391 -1.223 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.533 -10.883 0.028 1.00 0.64 H new ATOM 0 HG13 ILE A 63 7.842 -9.968 -1.297 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.452 -9.959 -0.409 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.386 -8.474 0.569 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.666 -9.980 1.187 1.00 0.39 H new ATOM 0 HD11 ILE A 63 8.983 -11.971 -2.117 1.00 1.60 H new ATOM 0 HD12 ILE A 63 9.800 -10.503 -2.706 1.00 1.60 H new ATOM 0 HD13 ILE A 63 10.501 -11.433 -1.360 1.00 1.60 H new ATOM 1015 N GLU A 64 8.960 -9.444 2.679 1.00 0.31 N ATOM 1016 CA GLU A 64 8.579 -10.294 3.793 1.00 0.33 C ATOM 1017 C GLU A 64 7.632 -9.553 4.727 1.00 0.28 C ATOM 1018 O GLU A 64 6.757 -10.151 5.356 1.00 0.30 O ATOM 1019 CB GLU A 64 9.834 -10.731 4.543 1.00 0.40 C ATOM 1020 CG GLU A 64 10.951 -11.192 3.619 1.00 0.49 C ATOM 1021 CD GLU A 64 10.565 -12.398 2.785 1.00 0.69 C ATOM 1022 OE1 GLU A 64 9.941 -12.218 1.721 1.00 0.86 O ATOM 1023 OE2 GLU A 64 10.883 -13.534 3.191 1.00 0.97 O ATOM 0 H GLU A 64 9.941 -9.165 2.681 1.00 0.31 H new ATOM 0 HA GLU A 64 8.060 -11.175 3.414 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.193 -9.902 5.152 1.00 0.40 H new ATOM 0 HB3 GLU A 64 9.578 -11.541 5.226 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.230 -10.372 2.957 1.00 0.49 H new ATOM 0 HG3 GLU A 64 11.831 -11.434 4.214 1.00 0.49 H new ATOM 1030 N ILE A 65 7.801 -8.242 4.787 1.00 0.27 N ATOM 1031 CA ILE A 65 6.977 -7.405 5.641 1.00 0.27 C ATOM 1032 C ILE A 65 5.548 -7.327 5.106 1.00 0.27 C ATOM 1033 O ILE A 65 4.596 -7.491 5.862 1.00 0.29 O ATOM 1034 CB ILE A 65 7.570 -5.979 5.804 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.770 -5.986 6.770 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.509 -5.003 6.291 1.00 0.34 C ATOM 1037 CD1 ILE A 65 9.993 -6.702 6.239 1.00 0.32 C ATOM 0 H ILE A 65 8.505 -7.734 4.252 1.00 0.27 H new ATOM 0 HA ILE A 65 6.960 -7.870 6.627 1.00 0.27 H new ATOM 0 HB ILE A 65 7.919 -5.652 4.825 1.00 0.28 H new ATOM 0 HG12 ILE A 65 9.039 -4.956 7.004 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.466 -6.456 7.705 1.00 0.30 H new ATOM 0 HG21 ILE A 65 6.948 -4.011 6.397 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.693 -4.963 5.569 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.125 -5.335 7.255 1.00 0.34 H new ATOM 0 HD11 ILE A 65 10.790 -6.660 6.981 1.00 0.32 H new ATOM 0 HD12 ILE A 65 9.744 -7.743 6.033 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.327 -6.220 5.320 1.00 0.32 H new ATOM 1049 N LEU A 66 5.393 -7.098 3.802 1.00 0.29 N ATOM 1050 CA LEU A 66 4.072 -7.039 3.204 1.00 0.34 C ATOM 1051 C LEU A 66 3.355 -8.382 3.333 1.00 0.32 C ATOM 1052 O LEU A 66 2.124 -8.432 3.506 1.00 0.34 O ATOM 1053 CB LEU A 66 4.166 -6.551 1.745 1.00 0.52 C ATOM 1054 CG LEU A 66 4.936 -7.425 0.735 1.00 1.02 C ATOM 1055 CD1 LEU A 66 4.142 -8.645 0.317 1.00 1.98 C ATOM 1056 CD2 LEU A 66 5.287 -6.615 -0.499 1.00 1.67 C ATOM 0 H LEU A 66 6.163 -6.952 3.149 1.00 0.29 H new ATOM 0 HA LEU A 66 3.467 -6.312 3.746 1.00 0.34 H new ATOM 0 HB2 LEU A 66 3.151 -6.424 1.370 1.00 0.52 H new ATOM 0 HB3 LEU A 66 4.629 -5.564 1.753 1.00 0.52 H new ATOM 0 HG LEU A 66 5.845 -7.763 1.233 1.00 1.02 H new ATOM 0 HD11 LEU A 66 4.723 -9.231 -0.395 1.00 1.98 H new ATOM 0 HD12 LEU A 66 3.922 -9.254 1.194 1.00 1.98 H new ATOM 0 HD13 LEU A 66 3.209 -8.329 -0.149 1.00 1.98 H new ATOM 0 HD21 LEU A 66 5.831 -7.244 -1.204 1.00 1.67 H new ATOM 0 HD22 LEU A 66 4.373 -6.251 -0.967 1.00 1.67 H new ATOM 0 HD23 LEU A 66 5.910 -5.768 -0.213 1.00 1.67 H new ATOM 1068 N LYS A 67 4.115 -9.476 3.257 1.00 0.32 N ATOM 1069 CA LYS A 67 3.546 -10.793 3.507 1.00 0.37 C ATOM 1070 C LYS A 67 3.011 -10.830 4.934 1.00 0.38 C ATOM 1071 O LYS A 67 1.833 -11.115 5.162 1.00 0.44 O ATOM 1072 CB LYS A 67 4.577 -11.905 3.321 1.00 0.42 C ATOM 1073 CG LYS A 67 5.307 -11.884 1.986 1.00 0.40 C ATOM 1074 CD LYS A 67 6.493 -12.834 2.008 1.00 0.43 C ATOM 1075 CE LYS A 67 7.030 -13.131 0.620 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.270 -13.952 0.685 1.00 1.27 N ATOM 0 H LYS A 67 5.109 -9.474 3.028 1.00 0.32 H new ATOM 0 HA LYS A 67 2.746 -10.964 2.787 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.313 -11.836 4.122 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.076 -12.867 3.430 1.00 0.42 H new ATOM 0 HG2 LYS A 67 4.622 -12.168 1.187 1.00 0.40 H new ATOM 0 HG3 LYS A 67 5.649 -10.872 1.769 1.00 0.40 H new ATOM 0 HD2 LYS A 67 7.288 -12.402 2.616 1.00 0.43 H new ATOM 0 HD3 LYS A 67 6.197 -13.768 2.486 1.00 0.43 H new ATOM 0 HE2 LYS A 67 6.272 -13.658 0.039 1.00 1.34 H new ATOM 0 HE3 LYS A 67 7.237 -12.196 0.100 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 8.453 -14.378 -0.246 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 9.073 -13.348 0.953 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 8.151 -14.705 1.393 1.00 1.27 H new ATOM 1090 N ARG A 68 3.884 -10.491 5.877 1.00 0.35 N ATOM 1091 CA ARG A 68 3.530 -10.420 7.287 1.00 0.41 C ATOM 1092 C ARG A 68 2.291 -9.557 7.498 1.00 0.39 C ATOM 1093 O ARG A 68 1.420 -9.925 8.255 1.00 0.46 O ATOM 1094 CB ARG A 68 4.695 -9.840 8.087 1.00 0.45 C ATOM 1095 CG ARG A 68 4.594 -10.109 9.576 1.00 0.49 C ATOM 1096 CD ARG A 68 4.709 -11.598 9.842 1.00 1.11 C ATOM 1097 NE ARG A 68 4.280 -11.968 11.187 1.00 1.70 N ATOM 1098 CZ ARG A 68 4.546 -13.142 11.754 1.00 2.45 C ATOM 1099 NH1 ARG A 68 5.345 -14.015 11.147 1.00 2.71 N ATOM 1100 NH2 ARG A 68 4.038 -13.424 12.946 1.00 3.22 N ATOM 0 H ARG A 68 4.858 -10.258 5.683 1.00 0.35 H new ATOM 0 HA ARG A 68 3.312 -11.431 7.633 1.00 0.41 H new ATOM 0 HB2 ARG A 68 5.629 -10.259 7.712 1.00 0.45 H new ATOM 0 HB3 ARG A 68 4.740 -8.764 7.922 1.00 0.45 H new ATOM 0 HG2 ARG A 68 5.383 -9.575 10.105 1.00 0.49 H new ATOM 0 HG3 ARG A 68 3.644 -9.735 9.958 1.00 0.49 H new ATOM 0 HD2 ARG A 68 4.108 -12.140 9.112 1.00 1.11 H new ATOM 0 HD3 ARG A 68 5.744 -11.909 9.697 1.00 1.11 H new ATOM 0 HE ARG A 68 3.744 -11.286 11.724 1.00 1.70 H new ATOM 0 HH11 ARG A 68 5.757 -13.786 10.243 1.00 2.71 H new ATOM 0 HH12 ARG A 68 5.546 -14.914 11.586 1.00 2.71 H new ATOM 0 HH21 ARG A 68 3.447 -12.743 13.423 1.00 3.22 H new ATOM 0 HH22 ARG A 68 4.238 -14.322 13.386 1.00 3.22 H new ATOM 1114 N MET A 69 2.208 -8.420 6.814 1.00 0.34 N ATOM 1115 CA MET A 69 1.083 -7.499 6.990 1.00 0.36 C ATOM 1116 C MET A 69 -0.256 -8.173 6.727 1.00 0.41 C ATOM 1117 O MET A 69 -1.139 -8.172 7.591 1.00 0.45 O ATOM 1118 CB MET A 69 1.221 -6.303 6.055 1.00 0.38 C ATOM 1119 CG MET A 69 2.399 -5.410 6.377 1.00 0.42 C ATOM 1120 SD MET A 69 2.264 -4.668 8.010 1.00 1.16 S ATOM 1121 CE MET A 69 3.736 -3.655 8.043 1.00 1.18 C ATOM 0 H MET A 69 2.903 -8.112 6.134 1.00 0.34 H new ATOM 0 HA MET A 69 1.107 -7.170 8.029 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.319 -6.663 5.031 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.306 -5.712 6.098 1.00 0.38 H new ATOM 0 HG2 MET A 69 3.319 -5.991 6.319 1.00 0.42 H new ATOM 0 HG3 MET A 69 2.471 -4.622 5.627 1.00 0.42 H new ATOM 0 HE1 MET A 69 4.444 -4.066 8.762 1.00 1.18 H new ATOM 0 HE2 MET A 69 4.191 -3.642 7.053 1.00 1.18 H new ATOM 0 HE3 MET A 69 3.472 -2.638 8.334 1.00 1.18 H new ATOM 1131 N LYS A 70 -0.423 -8.762 5.545 1.00 0.47 N ATOM 1132 CA LYS A 70 -1.669 -9.485 5.271 1.00 0.60 C ATOM 1133 C LYS A 70 -1.637 -10.869 5.906 1.00 0.66 C ATOM 1134 O LYS A 70 -2.512 -11.695 5.679 1.00 0.90 O ATOM 1135 CB LYS A 70 -2.019 -9.549 3.774 1.00 0.80 C ATOM 1136 CG LYS A 70 -0.849 -9.714 2.826 1.00 0.98 C ATOM 1137 CD LYS A 70 -0.203 -11.080 2.926 1.00 1.71 C ATOM 1138 CE LYS A 70 0.718 -11.320 1.747 1.00 2.51 C ATOM 1139 NZ LYS A 70 1.477 -10.093 1.385 1.00 3.32 N ATOM 0 H LYS A 70 0.258 -8.757 4.786 1.00 0.47 H new ATOM 0 HA LYS A 70 -2.474 -8.913 5.733 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -2.708 -10.379 3.617 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -2.552 -8.637 3.506 1.00 0.80 H new ATOM 0 HG2 LYS A 70 -1.190 -9.552 1.803 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -0.104 -8.948 3.039 1.00 0.98 H new ATOM 0 HD2 LYS A 70 0.360 -11.155 3.856 1.00 1.71 H new ATOM 0 HD3 LYS A 70 -0.973 -11.851 2.957 1.00 1.71 H new ATOM 0 HE2 LYS A 70 1.416 -12.122 1.987 1.00 2.51 H new ATOM 0 HE3 LYS A 70 0.133 -11.653 0.890 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 2.267 -10.346 0.758 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 0.846 -9.427 0.895 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 1.849 -9.647 2.248 1.00 3.32 H new ATOM 1153 N VAL A 71 -0.590 -11.107 6.672 1.00 0.59 N ATOM 1154 CA VAL A 71 -0.532 -12.214 7.612 1.00 0.66 C ATOM 1155 C VAL A 71 -1.037 -11.765 9.002 1.00 0.67 C ATOM 1156 O VAL A 71 -1.519 -12.576 9.799 1.00 0.79 O ATOM 1157 CB VAL A 71 0.918 -12.752 7.666 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.304 -13.259 9.040 1.00 0.76 C ATOM 1159 CG2 VAL A 71 1.103 -13.851 6.631 1.00 0.75 C ATOM 0 H VAL A 71 0.253 -10.533 6.661 1.00 0.59 H new ATOM 0 HA VAL A 71 -1.186 -13.022 7.282 1.00 0.66 H new ATOM 0 HB VAL A 71 1.579 -11.915 7.440 1.00 0.65 H new ATOM 0 HG11 VAL A 71 2.331 -13.624 9.018 1.00 0.76 H new ATOM 0 HG12 VAL A 71 1.223 -12.448 9.763 1.00 0.76 H new ATOM 0 HG13 VAL A 71 0.637 -14.071 9.329 1.00 0.76 H new ATOM 0 HG21 VAL A 71 2.126 -14.224 6.676 1.00 0.75 H new ATOM 0 HG22 VAL A 71 0.410 -14.666 6.838 1.00 0.75 H new ATOM 0 HG23 VAL A 71 0.906 -13.451 5.636 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.964 -10.456 9.269 1.00 0.59 N ATOM 1170 CA ILE A 72 -1.394 -9.900 10.555 1.00 0.64 C ATOM 1171 C ILE A 72 -2.894 -9.621 10.552 1.00 0.66 C ATOM 1172 O ILE A 72 -3.592 -9.906 11.525 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.651 -8.576 10.895 1.00 0.62 C ATOM 1174 CG1 ILE A 72 0.863 -8.752 10.732 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -0.995 -8.109 12.307 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.694 -7.592 11.230 1.00 1.48 C ATOM 0 H ILE A 72 -0.611 -9.762 8.610 1.00 0.59 H new ATOM 0 HA ILE A 72 -1.152 -10.648 11.310 1.00 0.64 H new ATOM 0 HB ILE A 72 -0.983 -7.808 10.196 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.169 -9.654 11.263 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.084 -8.912 9.677 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.464 -7.182 12.523 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -2.069 -7.938 12.382 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.698 -8.873 13.025 1.00 0.79 H new ATOM 0 HD11 ILE A 72 2.751 -7.808 11.073 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.423 -6.689 10.683 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.509 -7.442 12.294 1.00 1.48 H new ATOM 1188 N ASP A 73 -3.388 -9.075 9.450 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.805 -8.726 9.350 1.00 0.67 C ATOM 1190 C ASP A 73 -5.510 -9.630 8.356 1.00 0.72 C ATOM 1191 O ASP A 73 -6.621 -10.095 8.603 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.968 -7.278 8.906 1.00 0.64 C ATOM 1193 CG ASP A 73 -6.381 -6.771 9.117 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -6.751 -6.513 10.276 1.00 0.91 O ATOM 1195 OD2 ASP A 73 -7.122 -6.624 8.122 1.00 1.88 O ATOM 0 H ASP A 73 -2.838 -8.864 8.618 1.00 0.61 H new ATOM 0 HA ASP A 73 -5.251 -8.856 10.336 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -4.271 -6.649 9.460 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -4.706 -7.191 7.851 1.00 0.64 H new ATOM 1200 N GLU A 74 -4.865 -9.796 7.201 1.00 0.67 N ATOM 1201 CA GLU A 74 -5.293 -10.723 6.142 1.00 0.75 C ATOM 1202 C GLU A 74 -6.331 -10.044 5.280 1.00 0.74 C ATOM 1203 O GLU A 74 -6.910 -10.634 4.369 1.00 0.86 O ATOM 1204 CB GLU A 74 -5.824 -12.045 6.716 1.00 0.88 C ATOM 1205 CG GLU A 74 -4.810 -12.789 7.572 1.00 0.99 C ATOM 1206 CD GLU A 74 -5.427 -13.939 8.336 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -5.960 -13.703 9.442 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -5.385 -15.082 7.839 1.00 1.31 O ATOM 0 H GLU A 74 -4.015 -9.283 6.967 1.00 0.67 H new ATOM 0 HA GLU A 74 -4.427 -10.979 5.532 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -6.712 -11.841 7.314 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -6.135 -12.689 5.894 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -4.011 -13.168 6.935 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -4.354 -12.093 8.276 1.00 0.99 H new ATOM 1215 N ASN A 75 -6.539 -8.778 5.588 1.00 0.68 N ATOM 1216 CA ASN A 75 -7.488 -7.944 4.886 1.00 0.74 C ATOM 1217 C ASN A 75 -6.831 -6.636 4.510 1.00 0.67 C ATOM 1218 O ASN A 75 -7.219 -5.989 3.538 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.673 -7.691 5.795 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.525 -8.924 5.976 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -10.513 -9.127 5.268 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -9.127 -9.766 6.910 1.00 1.00 N ATOM 0 H ASN A 75 -6.047 -8.297 6.341 1.00 0.68 H new ATOM 0 HA ASN A 75 -7.824 -8.440 3.975 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -8.317 -7.351 6.768 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -9.282 -6.888 5.380 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -9.644 -10.630 7.072 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.302 -9.553 7.471 1.00 1.00 H new ATOM 1229 N ILE A 76 -5.829 -6.261 5.303 1.00 0.57 N ATOM 1230 CA ILE A 76 -5.050 -5.057 5.072 1.00 0.51 C ATOM 1231 C ILE A 76 -4.587 -4.979 3.618 1.00 0.40 C ATOM 1232 O ILE A 76 -4.063 -5.946 3.056 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.846 -4.998 6.035 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -3.132 -3.656 5.917 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -2.881 -6.145 5.775 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -2.068 -3.446 6.971 1.00 0.59 C ATOM 0 H ILE A 76 -5.538 -6.789 6.126 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.688 -4.195 5.268 1.00 0.51 H new ATOM 0 HB ILE A 76 -4.222 -5.101 7.053 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.675 -3.582 4.930 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.867 -2.854 5.989 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -2.042 -6.079 6.468 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.397 -7.094 5.919 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.512 -6.085 4.751 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -1.601 -2.472 6.827 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -2.523 -3.488 7.961 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -1.312 -4.227 6.886 1.00 0.59 H new ATOM 1248 N ARG A 77 -4.808 -3.828 3.009 1.00 0.42 N ATOM 1249 CA ARG A 77 -4.572 -3.666 1.583 1.00 0.39 C ATOM 1250 C ARG A 77 -3.093 -3.469 1.300 1.00 0.37 C ATOM 1251 O ARG A 77 -2.582 -2.357 1.375 1.00 0.53 O ATOM 1252 CB ARG A 77 -5.368 -2.487 1.011 1.00 0.55 C ATOM 1253 CG ARG A 77 -6.788 -2.367 1.546 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.549 -3.682 1.473 1.00 0.79 C ATOM 1255 NE ARG A 77 -8.915 -3.550 1.988 1.00 1.24 N ATOM 1256 CZ ARG A 77 -9.213 -3.314 3.271 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -8.247 -3.203 4.174 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -10.477 -3.194 3.655 1.00 1.93 N ATOM 0 H ARG A 77 -5.151 -2.990 3.479 1.00 0.42 H new ATOM 0 HA ARG A 77 -4.911 -4.579 1.095 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -4.832 -1.563 1.228 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -5.409 -2.584 -0.074 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -6.756 -2.026 2.581 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -7.325 -1.608 0.977 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -7.582 -4.026 0.439 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.017 -4.442 2.045 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.686 -3.644 1.327 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -7.271 -3.298 3.891 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -8.480 -3.023 5.151 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -11.228 -3.282 2.971 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -10.698 -3.014 4.634 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.412 -4.552 0.981 1.00 0.33 N ATOM 1273 CA VAL A 78 -0.986 -4.493 0.682 1.00 0.38 C ATOM 1274 C VAL A 78 -0.756 -4.227 -0.797 1.00 0.38 C ATOM 1275 O VAL A 78 -0.987 -5.084 -1.634 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.264 -5.797 1.088 1.00 0.43 C ATOM 1277 CG1 VAL A 78 0.035 -5.793 2.578 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -1.101 -7.012 0.723 1.00 0.88 C ATOM 0 H VAL A 78 -2.819 -5.485 0.921 1.00 0.33 H new ATOM 0 HA VAL A 78 -0.570 -3.672 1.266 1.00 0.38 H new ATOM 0 HB VAL A 78 0.677 -5.851 0.541 1.00 0.43 H new ATOM 0 HG11 VAL A 78 0.544 -6.718 2.849 1.00 0.95 H new ATOM 0 HG12 VAL A 78 0.674 -4.943 2.819 1.00 0.95 H new ATOM 0 HG13 VAL A 78 -0.898 -5.715 3.136 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.573 -7.919 1.018 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -2.058 -6.964 1.242 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.273 -7.026 -0.353 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.288 -3.039 -1.108 1.00 0.28 N ATOM 1289 CA ILE A 79 -0.048 -2.653 -2.483 1.00 0.29 C ATOM 1290 C ILE A 79 1.448 -2.667 -2.767 1.00 0.28 C ATOM 1291 O ILE A 79 2.251 -2.183 -1.966 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.634 -1.259 -2.773 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.139 -1.241 -2.461 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.379 -0.869 -4.221 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -2.990 -2.022 -3.442 1.00 0.59 C ATOM 0 H ILE A 79 -0.064 -2.318 -0.422 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.544 -3.370 -3.137 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.141 -0.529 -2.131 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.295 -1.645 -1.461 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.482 -0.207 -2.444 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.799 0.119 -4.411 1.00 0.45 H new ATOM 0 HG22 ILE A 79 0.695 -0.849 -4.409 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -0.850 -1.597 -4.882 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -4.037 -1.957 -3.147 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.868 -1.606 -4.442 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.678 -3.066 -3.443 1.00 0.59 H new ATOM 1307 N ILE A 80 1.822 -3.217 -3.911 1.00 0.31 N ATOM 1308 CA ILE A 80 3.230 -3.478 -4.184 1.00 0.32 C ATOM 1309 C ILE A 80 3.809 -2.510 -5.205 1.00 0.37 C ATOM 1310 O ILE A 80 3.423 -2.511 -6.366 1.00 0.46 O ATOM 1311 CB ILE A 80 3.456 -4.942 -4.647 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.773 -5.076 -5.419 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.294 -5.436 -5.496 1.00 0.47 C ATOM 1314 CD1 ILE A 80 5.169 -6.509 -5.711 1.00 0.45 C ATOM 0 H ILE A 80 1.182 -3.489 -4.657 1.00 0.31 H new ATOM 0 HA ILE A 80 3.759 -3.324 -3.243 1.00 0.32 H new ATOM 0 HB ILE A 80 3.514 -5.564 -3.754 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.688 -4.534 -6.361 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.569 -4.599 -4.847 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.481 -6.464 -5.806 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.374 -5.394 -4.913 1.00 0.47 H new ATOM 0 HG23 ILE A 80 2.194 -4.804 -6.378 1.00 0.47 H new ATOM 0 HD11 ILE A 80 6.111 -6.522 -6.260 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.288 -7.052 -4.773 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.394 -6.986 -6.311 1.00 0.45 H new ATOM 1326 N MET A 81 4.751 -1.688 -4.770 1.00 0.35 N ATOM 1327 CA MET A 81 5.453 -0.815 -5.696 1.00 0.43 C ATOM 1328 C MET A 81 6.867 -1.331 -5.902 1.00 0.45 C ATOM 1329 O MET A 81 7.679 -0.732 -6.608 1.00 0.57 O ATOM 1330 CB MET A 81 5.485 0.630 -5.197 1.00 0.48 C ATOM 1331 CG MET A 81 6.295 0.814 -3.928 1.00 0.47 C ATOM 1332 SD MET A 81 6.476 2.545 -3.453 1.00 0.99 S ATOM 1333 CE MET A 81 4.772 3.012 -3.180 1.00 1.36 C ATOM 0 H MET A 81 5.044 -1.607 -3.796 1.00 0.35 H new ATOM 0 HA MET A 81 4.916 -0.820 -6.645 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.899 1.267 -5.979 1.00 0.48 H new ATOM 0 HB3 MET A 81 4.464 0.967 -5.019 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.816 0.268 -3.115 1.00 0.47 H new ATOM 0 HG3 MET A 81 7.283 0.376 -4.067 1.00 0.47 H new ATOM 0 HE1 MET A 81 4.733 3.874 -2.514 1.00 1.36 H new ATOM 0 HE2 MET A 81 4.308 3.268 -4.132 1.00 1.36 H new ATOM 0 HE3 MET A 81 4.235 2.179 -2.727 1.00 1.36 H new ATOM 1343 N THR A 82 7.149 -2.454 -5.271 1.00 0.39 N ATOM 1344 CA THR A 82 8.434 -3.086 -5.391 1.00 0.42 C ATOM 1345 C THR A 82 8.463 -4.002 -6.614 1.00 0.48 C ATOM 1346 O THR A 82 7.611 -3.886 -7.493 1.00 0.52 O ATOM 1347 CB THR A 82 8.788 -3.867 -4.112 1.00 0.40 C ATOM 1348 OG1 THR A 82 10.175 -4.206 -4.135 1.00 0.43 O ATOM 1349 CG2 THR A 82 7.946 -5.124 -3.954 1.00 0.44 C ATOM 0 H THR A 82 6.493 -2.947 -4.665 1.00 0.39 H new ATOM 0 HA THR A 82 9.186 -2.309 -5.524 1.00 0.42 H new ATOM 0 HB THR A 82 8.572 -3.226 -3.257 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.273 -5.178 -4.214 1.00 0.43 H new ATOM 0 HG21 THR A 82 8.232 -5.641 -3.038 1.00 0.44 H new ATOM 0 HG22 THR A 82 6.892 -4.852 -3.903 1.00 0.44 H new ATOM 0 HG23 THR A 82 8.110 -5.781 -4.808 1.00 0.44 H new ATOM 1357 N ALA A 83 9.441 -4.904 -6.655 1.00 0.54 N ATOM 1358 CA ALA A 83 9.697 -5.740 -7.820 1.00 0.64 C ATOM 1359 C ALA A 83 8.445 -6.463 -8.294 1.00 0.69 C ATOM 1360 O ALA A 83 8.041 -7.481 -7.737 1.00 0.74 O ATOM 1361 CB ALA A 83 10.806 -6.730 -7.510 1.00 0.77 C ATOM 0 H ALA A 83 10.079 -5.074 -5.878 1.00 0.54 H new ATOM 0 HA ALA A 83 10.013 -5.089 -8.635 1.00 0.64 H new ATOM 0 HB1 ALA A 83 10.993 -7.353 -8.385 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.715 -6.188 -7.249 1.00 0.77 H new ATOM 0 HB3 ALA A 83 10.507 -7.361 -6.673 1.00 0.77 H new ATOM 1367 N TYR A 84 7.813 -5.900 -9.309 1.00 0.75 N ATOM 1368 CA TYR A 84 6.666 -6.527 -9.931 1.00 0.93 C ATOM 1369 C TYR A 84 7.127 -7.773 -10.664 1.00 1.04 C ATOM 1370 O TYR A 84 8.186 -7.790 -11.293 1.00 1.38 O ATOM 1371 CB TYR A 84 5.947 -5.538 -10.861 1.00 1.14 C ATOM 1372 CG TYR A 84 6.679 -5.226 -12.152 1.00 1.02 C ATOM 1373 CD1 TYR A 84 7.941 -4.652 -12.124 1.00 1.17 C ATOM 1374 CD2 TYR A 84 6.119 -5.512 -13.390 1.00 1.23 C ATOM 1375 CE1 TYR A 84 8.621 -4.370 -13.291 1.00 1.68 C ATOM 1376 CE2 TYR A 84 6.793 -5.231 -14.562 1.00 1.55 C ATOM 1377 CZ TYR A 84 7.998 -4.647 -14.529 1.00 1.84 C ATOM 1378 OH TYR A 84 8.725 -4.379 -15.667 1.00 2.42 O ATOM 0 H TYR A 84 8.079 -5.005 -9.720 1.00 0.75 H new ATOM 0 HA TYR A 84 5.942 -6.822 -9.172 1.00 0.93 H new ATOM 0 HB2 TYR A 84 4.964 -5.941 -11.106 1.00 1.14 H new ATOM 0 HB3 TYR A 84 5.783 -4.606 -10.319 1.00 1.14 H new ATOM 0 HD1 TYR A 84 8.399 -4.422 -11.173 1.00 1.17 H new ATOM 0 HD2 TYR A 84 5.139 -5.962 -13.437 1.00 1.23 H new ATOM 0 HE1 TYR A 84 9.613 -3.945 -13.259 1.00 1.68 H new ATOM 0 HE2 TYR A 84 6.345 -5.484 -15.512 1.00 1.55 H new ATOM 0 HH TYR A 84 8.193 -4.611 -16.457 1.00 2.42 H new ATOM 1388 N GLY A 85 6.327 -8.810 -10.570 1.00 1.18 N ATOM 1389 CA GLY A 85 6.799 -10.124 -10.899 1.00 1.31 C ATOM 1390 C GLY A 85 6.919 -10.944 -9.640 1.00 1.26 C ATOM 1391 O GLY A 85 7.101 -12.158 -9.679 1.00 1.37 O ATOM 0 H GLY A 85 5.353 -8.765 -10.270 1.00 1.18 H new ATOM 0 HA2 GLY A 85 6.112 -10.605 -11.595 1.00 1.31 H new ATOM 0 HA3 GLY A 85 7.766 -10.060 -11.398 1.00 1.31 H new ATOM 1395 N GLU A 86 6.782 -10.254 -8.509 1.00 1.14 N ATOM 1396 CA GLU A 86 6.796 -10.887 -7.201 1.00 1.12 C ATOM 1397 C GLU A 86 5.418 -11.420 -6.887 1.00 1.14 C ATOM 1398 O GLU A 86 5.172 -11.995 -5.835 1.00 1.13 O ATOM 1399 CB GLU A 86 7.264 -9.911 -6.128 1.00 1.04 C ATOM 1400 CG GLU A 86 8.601 -10.300 -5.518 1.00 1.04 C ATOM 1401 CD GLU A 86 9.640 -10.654 -6.564 1.00 1.60 C ATOM 1402 OE1 GLU A 86 9.633 -11.805 -7.041 1.00 2.16 O ATOM 1403 OE2 GLU A 86 10.470 -9.789 -6.909 1.00 1.64 O ATOM 0 H GLU A 86 6.659 -9.242 -8.479 1.00 1.14 H new ATOM 0 HA GLU A 86 7.502 -11.717 -7.215 1.00 1.12 H new ATOM 0 HB2 GLU A 86 7.344 -8.914 -6.561 1.00 1.04 H new ATOM 0 HB3 GLU A 86 6.513 -9.857 -5.340 1.00 1.04 H new ATOM 0 HG2 GLU A 86 8.971 -9.476 -4.908 1.00 1.04 H new ATOM 0 HG3 GLU A 86 8.458 -11.150 -4.851 1.00 1.04 H new ATOM 1410 N LEU A 87 4.519 -11.232 -7.836 1.00 1.19 N ATOM 1411 CA LEU A 87 3.253 -11.954 -7.839 1.00 1.27 C ATOM 1412 C LEU A 87 3.538 -13.436 -8.053 1.00 1.27 C ATOM 1413 O LEU A 87 2.644 -14.278 -8.009 1.00 1.30 O ATOM 1414 CB LEU A 87 2.304 -11.393 -8.913 1.00 1.38 C ATOM 1415 CG LEU A 87 2.960 -10.983 -10.241 1.00 1.41 C ATOM 1416 CD1 LEU A 87 3.445 -12.194 -11.024 1.00 1.84 C ATOM 1417 CD2 LEU A 87 1.989 -10.165 -11.077 1.00 1.96 C ATOM 0 H LEU A 87 4.639 -10.586 -8.616 1.00 1.19 H new ATOM 0 HA LEU A 87 2.750 -11.825 -6.881 1.00 1.27 H new ATOM 0 HB2 LEU A 87 1.541 -12.143 -9.123 1.00 1.38 H new ATOM 0 HB3 LEU A 87 1.792 -10.524 -8.500 1.00 1.38 H new ATOM 0 HG LEU A 87 3.831 -10.371 -10.007 1.00 1.41 H new ATOM 0 HD11 LEU A 87 3.903 -11.865 -11.957 1.00 1.84 H new ATOM 0 HD12 LEU A 87 4.180 -12.740 -10.432 1.00 1.84 H new ATOM 0 HD13 LEU A 87 2.600 -12.846 -11.245 1.00 1.84 H new ATOM 0 HD21 LEU A 87 2.466 -9.881 -12.015 1.00 1.96 H new ATOM 0 HD22 LEU A 87 1.100 -10.759 -11.288 1.00 1.96 H new ATOM 0 HD23 LEU A 87 1.704 -9.267 -10.529 1.00 1.96 H new ATOM 1429 N ASP A 88 4.806 -13.723 -8.316 1.00 1.29 N ATOM 1430 CA ASP A 88 5.322 -15.075 -8.267 1.00 1.35 C ATOM 1431 C ASP A 88 5.832 -15.379 -6.855 1.00 1.29 C ATOM 1432 O ASP A 88 5.176 -16.066 -6.078 1.00 1.39 O ATOM 1433 CB ASP A 88 6.459 -15.237 -9.282 1.00 1.38 C ATOM 1434 CG ASP A 88 7.095 -16.616 -9.251 1.00 1.49 C ATOM 1435 OD1 ASP A 88 7.947 -16.864 -8.375 1.00 1.54 O ATOM 1436 OD2 ASP A 88 6.768 -17.452 -10.118 1.00 1.59 O ATOM 0 H ASP A 88 5.502 -13.022 -8.569 1.00 1.29 H new ATOM 0 HA ASP A 88 4.524 -15.774 -8.518 1.00 1.35 H new ATOM 0 HB2 ASP A 88 6.074 -15.044 -10.283 1.00 1.38 H new ATOM 0 HB3 ASP A 88 7.224 -14.486 -9.084 1.00 1.38 H new ATOM 1441 N MET A 89 6.978 -14.800 -6.510 1.00 1.17 N ATOM 1442 CA MET A 89 7.666 -15.120 -5.261 1.00 1.16 C ATOM 1443 C MET A 89 6.919 -14.608 -4.028 1.00 1.14 C ATOM 1444 O MET A 89 6.579 -15.384 -3.142 1.00 1.25 O ATOM 1445 CB MET A 89 9.074 -14.530 -5.294 1.00 1.11 C ATOM 1446 CG MET A 89 9.849 -14.702 -3.997 1.00 1.13 C ATOM 1447 SD MET A 89 11.462 -13.899 -4.047 1.00 1.46 S ATOM 1448 CE MET A 89 12.041 -14.205 -2.380 1.00 2.17 C ATOM 0 H MET A 89 7.454 -14.102 -7.082 1.00 1.17 H new ATOM 0 HA MET A 89 7.709 -16.206 -5.180 1.00 1.16 H new ATOM 0 HB2 MET A 89 9.634 -14.998 -6.104 1.00 1.11 H new ATOM 0 HB3 MET A 89 9.006 -13.467 -5.526 1.00 1.11 H new ATOM 0 HG2 MET A 89 9.267 -14.291 -3.172 1.00 1.13 H new ATOM 0 HG3 MET A 89 9.982 -15.765 -3.795 1.00 1.13 H new ATOM 0 HE1 MET A 89 13.031 -13.768 -2.253 1.00 2.17 H new ATOM 0 HE2 MET A 89 11.351 -13.754 -1.667 1.00 2.17 H new ATOM 0 HE3 MET A 89 12.094 -15.280 -2.205 1.00 2.17 H new ATOM 1458 N ALA A 90 6.632 -13.313 -3.988 1.00 1.06 N ATOM 1459 CA ALA A 90 5.996 -12.709 -2.819 1.00 1.05 C ATOM 1460 C ALA A 90 4.601 -13.281 -2.594 1.00 1.12 C ATOM 1461 O ALA A 90 4.124 -13.356 -1.460 1.00 1.17 O ATOM 1462 CB ALA A 90 5.929 -11.197 -2.969 1.00 0.99 C ATOM 0 H ALA A 90 6.828 -12.661 -4.747 1.00 1.06 H new ATOM 0 HA ALA A 90 6.605 -12.948 -1.947 1.00 1.05 H new ATOM 0 HB1 ALA A 90 5.452 -10.765 -2.089 1.00 0.99 H new ATOM 0 HB2 ALA A 90 6.938 -10.796 -3.069 1.00 0.99 H new ATOM 0 HB3 ALA A 90 5.349 -10.945 -3.857 1.00 0.99 H new ATOM 1468 N GLN A 91 3.957 -13.687 -3.679 1.00 1.19 N ATOM 1469 CA GLN A 91 2.623 -14.256 -3.608 1.00 1.31 C ATOM 1470 C GLN A 91 2.661 -15.729 -3.191 1.00 1.46 C ATOM 1471 O GLN A 91 2.077 -16.103 -2.174 1.00 1.51 O ATOM 1472 CB GLN A 91 1.907 -14.067 -4.959 1.00 1.40 C ATOM 1473 CG GLN A 91 1.018 -15.230 -5.380 1.00 1.68 C ATOM 1474 CD GLN A 91 -0.333 -15.248 -4.684 1.00 1.84 C ATOM 1475 OE1 GLN A 91 -1.302 -14.663 -5.172 1.00 2.24 O ATOM 1476 NE2 GLN A 91 -0.414 -15.916 -3.542 1.00 2.42 N ATOM 0 H GLN A 91 4.341 -13.632 -4.622 1.00 1.19 H new ATOM 0 HA GLN A 91 2.059 -13.729 -2.838 1.00 1.31 H new ATOM 0 HB2 GLN A 91 1.299 -13.163 -4.909 1.00 1.40 H new ATOM 0 HB3 GLN A 91 2.658 -13.904 -5.732 1.00 1.40 H new ATOM 0 HG2 GLN A 91 0.861 -15.185 -6.458 1.00 1.68 H new ATOM 0 HG3 GLN A 91 1.536 -16.166 -5.172 1.00 1.68 H new ATOM 0 HE21 GLN A 91 0.409 -16.388 -3.168 1.00 2.42 H new ATOM 0 HE22 GLN A 91 -1.299 -15.958 -3.037 1.00 2.42 H new ATOM 1485 N GLU A 92 3.370 -16.545 -3.953 1.00 1.57 N ATOM 1486 CA GLU A 92 3.370 -17.990 -3.748 1.00 1.80 C ATOM 1487 C GLU A 92 4.105 -18.412 -2.473 1.00 1.83 C ATOM 1488 O GLU A 92 3.877 -19.507 -1.960 1.00 2.04 O ATOM 1489 CB GLU A 92 3.975 -18.676 -4.968 1.00 1.91 C ATOM 1490 CG GLU A 92 3.199 -18.394 -6.245 1.00 1.96 C ATOM 1491 CD GLU A 92 3.855 -18.971 -7.480 1.00 2.13 C ATOM 1492 OE1 GLU A 92 4.761 -19.816 -7.336 1.00 2.44 O ATOM 1493 OE2 GLU A 92 3.482 -18.573 -8.606 1.00 2.12 O ATOM 0 H GLU A 92 3.958 -16.232 -4.725 1.00 1.57 H new ATOM 0 HA GLU A 92 2.334 -18.303 -3.621 1.00 1.80 H new ATOM 0 HB2 GLU A 92 5.005 -18.343 -5.093 1.00 1.91 H new ATOM 0 HB3 GLU A 92 4.006 -19.752 -4.797 1.00 1.91 H new ATOM 0 HG2 GLU A 92 2.194 -18.804 -6.150 1.00 1.96 H new ATOM 0 HG3 GLU A 92 3.093 -17.316 -6.368 1.00 1.96 H new ATOM 1500 N SER A 93 4.978 -17.555 -1.953 1.00 1.66 N ATOM 1501 CA SER A 93 5.683 -17.866 -0.714 1.00 1.77 C ATOM 1502 C SER A 93 4.809 -17.594 0.509 1.00 1.87 C ATOM 1503 O SER A 93 5.224 -17.853 1.634 1.00 2.13 O ATOM 1504 CB SER A 93 6.981 -17.064 -0.605 1.00 1.65 C ATOM 1505 OG SER A 93 7.853 -17.351 -1.684 1.00 1.98 O ATOM 0 H SER A 93 5.212 -16.651 -2.364 1.00 1.66 H new ATOM 0 HA SER A 93 5.923 -18.929 -0.740 1.00 1.77 H new ATOM 0 HB2 SER A 93 6.753 -15.998 -0.592 1.00 1.65 H new ATOM 0 HB3 SER A 93 7.476 -17.296 0.338 1.00 1.65 H new ATOM 0 HG SER A 93 7.631 -16.776 -2.446 1.00 1.98 H new ATOM 1511 N LYS A 94 3.603 -17.076 0.296 1.00 1.73 N ATOM 1512 CA LYS A 94 2.717 -16.761 1.406 1.00 1.84 C ATOM 1513 C LYS A 94 1.257 -16.969 0.997 1.00 1.75 C ATOM 1514 O LYS A 94 0.952 -17.865 0.211 1.00 2.05 O ATOM 1515 CB LYS A 94 2.945 -15.319 1.873 1.00 1.74 C ATOM 1516 CG LYS A 94 2.769 -15.121 3.378 1.00 2.03 C ATOM 1517 CD LYS A 94 4.044 -15.435 4.148 1.00 2.19 C ATOM 1518 CE LYS A 94 4.209 -16.926 4.378 1.00 2.42 C ATOM 1519 NZ LYS A 94 3.551 -17.384 5.629 1.00 2.66 N ATOM 0 H LYS A 94 3.222 -16.868 -0.627 1.00 1.73 H new ATOM 0 HA LYS A 94 2.941 -17.433 2.235 1.00 1.84 H new ATOM 0 HB2 LYS A 94 3.952 -15.011 1.591 1.00 1.74 H new ATOM 0 HB3 LYS A 94 2.252 -14.663 1.347 1.00 1.74 H new ATOM 0 HG2 LYS A 94 2.471 -14.091 3.576 1.00 2.03 H new ATOM 0 HG3 LYS A 94 1.963 -15.761 3.736 1.00 2.03 H new ATOM 0 HD2 LYS A 94 4.904 -15.054 3.598 1.00 2.19 H new ATOM 0 HD3 LYS A 94 4.026 -14.919 5.108 1.00 2.19 H new ATOM 0 HE2 LYS A 94 3.791 -17.470 3.531 1.00 2.42 H new ATOM 0 HE3 LYS A 94 5.271 -17.169 4.420 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 3.692 -18.408 5.741 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 3.967 -16.887 6.442 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 2.533 -17.178 5.581 1.00 2.66 H new ATOM 1533 N GLU A 95 0.363 -16.143 1.537 1.00 1.51 N ATOM 1534 CA GLU A 95 -1.073 -16.290 1.299 1.00 1.57 C ATOM 1535 C GLU A 95 -1.547 -15.402 0.144 1.00 1.40 C ATOM 1536 O GLU A 95 -1.812 -15.879 -0.955 1.00 1.80 O ATOM 1537 CB GLU A 95 -1.841 -15.950 2.584 1.00 1.57 C ATOM 1538 CG GLU A 95 -3.356 -15.884 2.428 1.00 1.70 C ATOM 1539 CD GLU A 95 -3.984 -17.208 2.039 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -3.838 -18.185 2.801 1.00 2.68 O ATOM 1541 OE2 GLU A 95 -4.588 -17.288 0.951 1.00 3.16 O ATOM 0 H GLU A 95 0.608 -15.362 2.145 1.00 1.51 H new ATOM 0 HA GLU A 95 -1.270 -17.324 1.017 1.00 1.57 H new ATOM 0 HB2 GLU A 95 -1.601 -16.696 3.342 1.00 1.57 H new ATOM 0 HB3 GLU A 95 -1.487 -14.990 2.958 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -3.795 -15.545 3.366 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -3.603 -15.138 1.672 1.00 1.70 H new ATOM 1548 N LEU A 96 -1.637 -14.103 0.404 1.00 1.13 N ATOM 1549 CA LEU A 96 -2.162 -13.157 -0.567 1.00 1.44 C ATOM 1550 C LEU A 96 -1.081 -12.719 -1.530 1.00 1.40 C ATOM 1551 O LEU A 96 -1.349 -12.351 -2.670 1.00 1.87 O ATOM 1552 CB LEU A 96 -2.694 -11.939 0.177 1.00 1.74 C ATOM 1553 CG LEU A 96 -3.169 -10.773 -0.692 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -4.318 -11.204 -1.592 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -3.589 -9.605 0.184 1.00 3.10 C ATOM 0 H LEU A 96 -1.350 -13.681 1.287 1.00 1.13 H new ATOM 0 HA LEU A 96 -2.958 -13.637 -1.136 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -3.524 -12.258 0.807 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -1.911 -11.574 0.842 1.00 1.74 H new ATOM 0 HG LEU A 96 -2.342 -10.456 -1.327 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -4.640 -10.359 -2.201 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -3.987 -12.014 -2.242 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -5.151 -11.548 -0.979 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -3.925 -8.781 -0.445 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -4.402 -9.916 0.840 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -2.741 -9.279 0.787 1.00 3.10 H new ATOM 1567 N GLY A 97 0.145 -12.745 -1.051 1.00 1.08 N ATOM 1568 CA GLY A 97 1.240 -12.193 -1.810 1.00 1.10 C ATOM 1569 C GLY A 97 1.272 -10.686 -1.741 1.00 1.06 C ATOM 1570 O GLY A 97 2.212 -10.118 -1.204 1.00 1.72 O ATOM 0 H GLY A 97 0.404 -13.140 -0.147 1.00 1.08 H new ATOM 0 HA2 GLY A 97 2.181 -12.593 -1.433 1.00 1.10 H new ATOM 0 HA3 GLY A 97 1.155 -12.507 -2.850 1.00 1.10 H new ATOM 1574 N ALA A 98 0.192 -10.067 -2.201 1.00 0.73 N ATOM 1575 CA ALA A 98 0.099 -8.611 -2.378 1.00 0.65 C ATOM 1576 C ALA A 98 -1.092 -8.268 -3.272 1.00 0.67 C ATOM 1577 O ALA A 98 -1.459 -9.044 -4.153 1.00 0.82 O ATOM 1578 CB ALA A 98 1.379 -8.043 -2.987 1.00 0.85 C ATOM 0 H ALA A 98 -0.659 -10.563 -2.467 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.040 -8.162 -1.395 1.00 0.65 H new ATOM 0 HB1 ALA A 98 1.278 -6.964 -3.105 1.00 0.85 H new ATOM 0 HB2 ALA A 98 2.221 -8.259 -2.330 1.00 0.85 H new ATOM 0 HB3 ALA A 98 1.552 -8.500 -3.961 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.687 -7.105 -3.044 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.860 -6.662 -3.790 1.00 0.66 C ATOM 1586 C LEU A 99 -2.489 -5.872 -5.044 1.00 0.69 C ATOM 1587 O LEU A 99 -3.158 -4.898 -5.395 1.00 1.35 O ATOM 1588 CB LEU A 99 -3.775 -5.841 -2.884 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.562 -6.672 -1.870 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.174 -5.782 -0.810 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -5.644 -7.476 -2.576 1.00 1.05 C ATOM 0 H LEU A 99 -1.371 -6.441 -2.337 1.00 0.60 H new ATOM 0 HA LEU A 99 -3.391 -7.553 -4.127 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.173 -5.108 -2.347 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -4.478 -5.284 -3.504 1.00 0.68 H new ATOM 0 HG LEU A 99 -3.874 -7.362 -1.382 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -5.730 -6.393 -0.098 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -4.384 -5.243 -0.287 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -5.850 -5.068 -1.280 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -6.197 -8.063 -1.843 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -6.327 -6.797 -3.087 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -5.184 -8.144 -3.304 1.00 1.05 H new ATOM 1603 N THR A 100 -1.423 -6.306 -5.713 1.00 0.95 N ATOM 1604 CA THR A 100 -1.079 -5.817 -7.049 1.00 1.06 C ATOM 1605 C THR A 100 -0.457 -4.402 -7.040 1.00 0.67 C ATOM 1606 O THR A 100 -0.541 -3.673 -6.042 1.00 0.60 O ATOM 1607 CB THR A 100 -2.329 -5.841 -7.969 1.00 1.56 C ATOM 1608 OG1 THR A 100 -3.037 -7.076 -7.786 1.00 2.07 O ATOM 1609 CG2 THR A 100 -1.954 -5.704 -9.439 1.00 2.16 C ATOM 0 H THR A 100 -0.775 -7.004 -5.347 1.00 0.95 H new ATOM 0 HA THR A 100 -0.317 -6.493 -7.438 1.00 1.06 H new ATOM 0 HB THR A 100 -2.956 -4.993 -7.694 1.00 1.56 H new ATOM 0 HG1 THR A 100 -3.827 -7.089 -8.366 1.00 2.07 H new ATOM 0 HG21 THR A 100 -2.857 -5.725 -10.048 1.00 2.16 H new ATOM 0 HG22 THR A 100 -1.433 -4.759 -9.595 1.00 2.16 H new ATOM 0 HG23 THR A 100 -1.303 -6.529 -9.727 1.00 2.16 H new ATOM 1617 N HIS A 101 0.265 -4.119 -8.140 1.00 0.68 N ATOM 1618 CA HIS A 101 0.752 -2.793 -8.555 1.00 0.87 C ATOM 1619 C HIS A 101 2.084 -3.003 -9.279 1.00 0.71 C ATOM 1620 O HIS A 101 2.398 -4.134 -9.649 1.00 1.08 O ATOM 1621 CB HIS A 101 0.901 -1.781 -7.408 1.00 1.65 C ATOM 1622 CG HIS A 101 0.560 -0.375 -7.813 1.00 2.50 C ATOM 1623 ND1 HIS A 101 1.283 0.566 -8.466 1.00 3.21 N flip ATOM 1624 CD2 HIS A 101 -0.670 0.197 -7.573 1.00 3.16 C flip ATOM 1625 CE1 HIS A 101 0.485 1.675 -8.616 1.00 3.89 C flip ATOM 1626 NE2 HIS A 101 -0.688 1.422 -8.064 1.00 3.83 N flip ATOM 0 H HIS A 101 0.538 -4.849 -8.798 1.00 0.68 H new ATOM 0 HA HIS A 101 0.003 -2.346 -9.209 1.00 0.87 H new ATOM 0 HB2 HIS A 101 0.257 -2.081 -6.581 1.00 1.65 H new ATOM 0 HB3 HIS A 101 1.926 -1.808 -7.039 1.00 1.65 H new ATOM 0 HD2 HIS A 101 -1.492 -0.283 -7.062 1.00 3.16 H new ATOM 0 HE1 HIS A 101 0.769 2.597 -9.102 1.00 3.89 H new ATOM 0 HE2 HIS A 101 -1.477 2.067 -8.024 1.00 3.83 H new ATOM 1635 N PHE A 102 2.866 -1.948 -9.482 1.00 0.78 N ATOM 1636 CA PHE A 102 4.046 -2.034 -10.336 1.00 0.90 C ATOM 1637 C PHE A 102 5.247 -1.361 -9.690 1.00 0.85 C ATOM 1638 O PHE A 102 5.099 -0.491 -8.834 1.00 0.97 O ATOM 1639 CB PHE A 102 3.757 -1.419 -11.707 1.00 1.33 C ATOM 1640 CG PHE A 102 2.719 -2.176 -12.484 1.00 1.91 C ATOM 1641 CD1 PHE A 102 3.061 -3.305 -13.210 1.00 2.47 C ATOM 1642 CD2 PHE A 102 1.402 -1.750 -12.496 1.00 2.71 C ATOM 1643 CE1 PHE A 102 2.107 -3.993 -13.937 1.00 3.31 C ATOM 1644 CE2 PHE A 102 0.445 -2.433 -13.217 1.00 3.59 C ATOM 1645 CZ PHE A 102 0.801 -3.598 -13.903 1.00 3.75 C ATOM 0 H PHE A 102 2.706 -1.029 -9.070 1.00 0.78 H new ATOM 0 HA PHE A 102 4.289 -3.088 -10.469 1.00 0.90 H new ATOM 0 HB2 PHE A 102 3.424 -0.390 -11.574 1.00 1.33 H new ATOM 0 HB3 PHE A 102 4.681 -1.383 -12.285 1.00 1.33 H new ATOM 0 HD1 PHE A 102 4.084 -3.652 -13.208 1.00 2.47 H new ATOM 0 HD2 PHE A 102 1.120 -0.872 -11.934 1.00 2.71 H new ATOM 0 HE1 PHE A 102 2.396 -4.846 -14.534 1.00 3.31 H new ATOM 0 HE2 PHE A 102 -0.572 -2.071 -13.251 1.00 3.59 H new ATOM 0 HZ PHE A 102 0.045 -4.184 -14.405 1.00 3.75 H new ATOM 1655 N ALA A 103 6.435 -1.765 -10.128 1.00 0.85 N ATOM 1656 CA ALA A 103 7.691 -1.340 -9.518 1.00 0.92 C ATOM 1657 C ALA A 103 8.139 0.040 -9.984 1.00 1.01 C ATOM 1658 O ALA A 103 9.334 0.327 -10.018 1.00 1.27 O ATOM 1659 CB ALA A 103 8.771 -2.358 -9.832 1.00 1.00 C ATOM 0 H ALA A 103 6.555 -2.398 -10.918 1.00 0.85 H new ATOM 0 HA ALA A 103 7.523 -1.275 -8.443 1.00 0.92 H new ATOM 0 HB1 ALA A 103 9.711 -2.043 -9.378 1.00 1.00 H new ATOM 0 HB2 ALA A 103 8.482 -3.330 -9.432 1.00 1.00 H new ATOM 0 HB3 ALA A 103 8.897 -2.433 -10.912 1.00 1.00 H new ATOM 1665 N LYS A 104 7.196 0.899 -10.312 1.00 1.13 N ATOM 1666 CA LYS A 104 7.533 2.232 -10.774 1.00 1.45 C ATOM 1667 C LYS A 104 7.104 3.281 -9.765 1.00 1.54 C ATOM 1668 O LYS A 104 5.909 3.500 -9.556 1.00 1.48 O ATOM 1669 CB LYS A 104 6.890 2.519 -12.131 1.00 1.74 C ATOM 1670 CG LYS A 104 7.474 1.695 -13.262 1.00 1.85 C ATOM 1671 CD LYS A 104 6.823 2.031 -14.590 1.00 2.35 C ATOM 1672 CE LYS A 104 7.454 1.248 -15.728 1.00 2.97 C ATOM 1673 NZ LYS A 104 7.405 -0.220 -15.491 1.00 3.84 N ATOM 0 H LYS A 104 6.196 0.701 -10.268 1.00 1.13 H new ATOM 0 HA LYS A 104 8.616 2.278 -10.885 1.00 1.45 H new ATOM 0 HB2 LYS A 104 5.819 2.325 -12.065 1.00 1.74 H new ATOM 0 HB3 LYS A 104 7.008 3.577 -12.364 1.00 1.74 H new ATOM 0 HG2 LYS A 104 8.547 1.873 -13.327 1.00 1.85 H new ATOM 0 HG3 LYS A 104 7.339 0.635 -13.048 1.00 1.85 H new ATOM 0 HD2 LYS A 104 5.757 1.810 -14.541 1.00 2.35 H new ATOM 0 HD3 LYS A 104 6.918 3.099 -14.784 1.00 2.35 H new ATOM 0 HE2 LYS A 104 6.937 1.482 -16.659 1.00 2.97 H new ATOM 0 HE3 LYS A 104 8.491 1.561 -15.852 1.00 2.97 H new ATOM 0 HZ1 LYS A 104 7.672 -0.721 -16.362 1.00 3.84 H new ATOM 0 HZ2 LYS A 104 8.068 -0.471 -14.730 1.00 3.84 H new ATOM 0 HZ3 LYS A 104 6.441 -0.495 -15.215 1.00 3.84 H new ATOM 1687 N PRO A 105 8.075 3.924 -9.098 1.00 2.04 N ATOM 1688 CA PRO A 105 7.795 5.077 -8.253 1.00 2.24 C ATOM 1689 C PRO A 105 7.356 6.254 -9.108 1.00 2.07 C ATOM 1690 O PRO A 105 8.177 6.970 -9.687 1.00 2.65 O ATOM 1691 CB PRO A 105 9.132 5.363 -7.563 1.00 3.14 C ATOM 1692 CG PRO A 105 10.162 4.759 -8.458 1.00 3.33 C ATOM 1693 CD PRO A 105 9.506 3.574 -9.112 1.00 2.66 C ATOM 0 HA PRO A 105 6.992 4.901 -7.537 1.00 2.24 H new ATOM 0 HB2 PRO A 105 9.293 6.434 -7.442 1.00 3.14 H new ATOM 0 HB3 PRO A 105 9.165 4.921 -6.567 1.00 3.14 H new ATOM 0 HG2 PRO A 105 10.499 5.478 -9.204 1.00 3.33 H new ATOM 0 HG3 PRO A 105 11.041 4.453 -7.890 1.00 3.33 H new ATOM 0 HD2 PRO A 105 9.872 3.422 -10.127 1.00 2.66 H new ATOM 0 HD3 PRO A 105 9.700 2.653 -8.562 1.00 2.66 H new ATOM 1701 N PHE A 106 6.057 6.437 -9.202 1.00 1.61 N ATOM 1702 CA PHE A 106 5.493 7.395 -10.127 1.00 1.78 C ATOM 1703 C PHE A 106 4.823 8.535 -9.375 1.00 1.59 C ATOM 1704 O PHE A 106 4.639 8.467 -8.158 1.00 2.24 O ATOM 1705 CB PHE A 106 4.483 6.679 -11.038 1.00 2.13 C ATOM 1706 CG PHE A 106 4.011 7.494 -12.213 1.00 2.84 C ATOM 1707 CD1 PHE A 106 4.773 7.577 -13.369 1.00 3.75 C ATOM 1708 CD2 PHE A 106 2.806 8.178 -12.159 1.00 2.94 C ATOM 1709 CE1 PHE A 106 4.341 8.324 -14.448 1.00 4.83 C ATOM 1710 CE2 PHE A 106 2.371 8.926 -13.234 1.00 4.02 C ATOM 1711 CZ PHE A 106 3.138 8.995 -14.383 1.00 5.00 C ATOM 0 H PHE A 106 5.368 5.931 -8.645 1.00 1.61 H new ATOM 0 HA PHE A 106 6.290 7.822 -10.736 1.00 1.78 H new ATOM 0 HB2 PHE A 106 4.936 5.760 -11.409 1.00 2.13 H new ATOM 0 HB3 PHE A 106 3.617 6.390 -10.442 1.00 2.13 H new ATOM 0 HD1 PHE A 106 5.715 7.052 -13.426 1.00 3.75 H new ATOM 0 HD2 PHE A 106 2.201 8.125 -11.266 1.00 2.94 H new ATOM 0 HE1 PHE A 106 4.945 8.382 -15.341 1.00 4.83 H new ATOM 0 HE2 PHE A 106 1.432 9.457 -13.178 1.00 4.02 H new ATOM 0 HZ PHE A 106 2.795 9.574 -15.228 1.00 5.00 H new ATOM 1721 N ASP A 107 4.505 9.589 -10.111 1.00 1.39 N ATOM 1722 CA ASP A 107 3.696 10.689 -9.610 1.00 1.24 C ATOM 1723 C ASP A 107 2.461 10.163 -8.890 1.00 1.07 C ATOM 1724 O ASP A 107 1.855 9.175 -9.317 1.00 1.07 O ATOM 1725 CB ASP A 107 3.279 11.610 -10.756 1.00 1.39 C ATOM 1726 CG ASP A 107 2.538 12.827 -10.257 1.00 1.56 C ATOM 1727 OD1 ASP A 107 3.193 13.840 -9.947 1.00 1.73 O ATOM 1728 OD2 ASP A 107 1.292 12.779 -10.191 1.00 1.95 O ATOM 0 H ASP A 107 4.803 9.706 -11.079 1.00 1.39 H new ATOM 0 HA ASP A 107 4.297 11.258 -8.901 1.00 1.24 H new ATOM 0 HB2 ASP A 107 4.164 11.925 -11.309 1.00 1.39 H new ATOM 0 HB3 ASP A 107 2.646 11.060 -11.453 1.00 1.39 H new ATOM 1733 N ILE A 108 2.106 10.819 -7.792 1.00 1.00 N ATOM 1734 CA ILE A 108 1.039 10.355 -6.909 1.00 0.93 C ATOM 1735 C ILE A 108 -0.317 10.226 -7.612 1.00 0.89 C ATOM 1736 O ILE A 108 -1.267 9.690 -7.037 1.00 0.79 O ATOM 1737 CB ILE A 108 0.906 11.258 -5.658 1.00 1.00 C ATOM 1738 CG1 ILE A 108 1.209 12.734 -5.970 1.00 0.97 C ATOM 1739 CG2 ILE A 108 1.841 10.754 -4.573 1.00 1.25 C ATOM 1740 CD1 ILE A 108 0.328 13.346 -7.034 1.00 1.29 C ATOM 0 H ILE A 108 2.548 11.686 -7.487 1.00 1.00 H new ATOM 0 HA ILE A 108 1.333 9.353 -6.596 1.00 0.93 H new ATOM 0 HB ILE A 108 -0.128 11.207 -5.317 1.00 1.00 H new ATOM 0 HG12 ILE A 108 1.105 13.314 -5.053 1.00 0.97 H new ATOM 0 HG13 ILE A 108 2.249 12.819 -6.285 1.00 0.97 H new ATOM 0 HG21 ILE A 108 1.750 11.388 -3.691 1.00 1.25 H new ATOM 0 HG22 ILE A 108 1.577 9.729 -4.312 1.00 1.25 H new ATOM 0 HG23 ILE A 108 2.868 10.783 -4.936 1.00 1.25 H new ATOM 0 HD11 ILE A 108 0.613 14.387 -7.188 1.00 1.29 H new ATOM 0 HD12 ILE A 108 0.448 12.795 -7.967 1.00 1.29 H new ATOM 0 HD13 ILE A 108 -0.713 13.298 -6.716 1.00 1.29 H new ATOM 1752 N ASP A 109 -0.394 10.687 -8.858 1.00 1.01 N ATOM 1753 CA ASP A 109 -1.587 10.542 -9.676 1.00 1.07 C ATOM 1754 C ASP A 109 -2.015 9.080 -9.750 1.00 1.02 C ATOM 1755 O ASP A 109 -3.182 8.751 -9.536 1.00 1.00 O ATOM 1756 CB ASP A 109 -1.285 11.055 -11.075 1.00 1.27 C ATOM 1757 CG ASP A 109 -2.512 11.100 -11.962 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -3.432 11.894 -11.675 1.00 1.84 O ATOM 1759 OD2 ASP A 109 -2.570 10.327 -12.941 1.00 1.92 O ATOM 0 H ASP A 109 0.372 11.172 -9.326 1.00 1.01 H new ATOM 0 HA ASP A 109 -2.399 11.115 -9.229 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -0.856 12.055 -11.006 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -0.532 10.416 -11.537 1.00 1.27 H new ATOM 1764 N GLU A 110 -1.050 8.210 -10.028 1.00 1.04 N ATOM 1765 CA GLU A 110 -1.297 6.773 -10.073 1.00 1.04 C ATOM 1766 C GLU A 110 -1.723 6.243 -8.711 1.00 0.93 C ATOM 1767 O GLU A 110 -2.454 5.261 -8.618 1.00 0.95 O ATOM 1768 CB GLU A 110 -0.042 6.035 -10.533 1.00 1.14 C ATOM 1769 CG GLU A 110 0.220 6.137 -12.022 1.00 1.12 C ATOM 1770 CD GLU A 110 -0.907 5.564 -12.849 1.00 1.57 C ATOM 1771 OE1 GLU A 110 -1.141 4.340 -12.782 1.00 2.07 O ATOM 1772 OE2 GLU A 110 -1.570 6.337 -13.570 1.00 2.06 O ATOM 0 H GLU A 110 -0.086 8.476 -10.226 1.00 1.04 H new ATOM 0 HA GLU A 110 -2.106 6.598 -10.783 1.00 1.04 H new ATOM 0 HB2 GLU A 110 0.819 6.432 -9.995 1.00 1.14 H new ATOM 0 HB3 GLU A 110 -0.131 4.983 -10.261 1.00 1.14 H new ATOM 0 HG2 GLU A 110 0.368 7.183 -12.291 1.00 1.12 H new ATOM 0 HG3 GLU A 110 1.145 5.613 -12.262 1.00 1.12 H new ATOM 1779 N ILE A 111 -1.277 6.905 -7.654 1.00 0.83 N ATOM 1780 CA ILE A 111 -1.537 6.441 -6.303 1.00 0.75 C ATOM 1781 C ILE A 111 -2.973 6.761 -5.901 1.00 0.70 C ATOM 1782 O ILE A 111 -3.704 5.882 -5.450 1.00 0.71 O ATOM 1783 CB ILE A 111 -0.525 7.049 -5.296 1.00 0.76 C ATOM 1784 CG1 ILE A 111 0.745 6.193 -5.237 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -1.134 7.182 -3.906 1.00 0.75 C ATOM 1786 CD1 ILE A 111 1.428 6.012 -6.575 1.00 1.61 C ATOM 0 H ILE A 111 -0.733 7.766 -7.708 1.00 0.83 H new ATOM 0 HA ILE A 111 -1.407 5.359 -6.282 1.00 0.75 H new ATOM 0 HB ILE A 111 -0.266 8.048 -5.646 1.00 0.76 H new ATOM 0 HG12 ILE A 111 1.448 6.651 -4.541 1.00 1.24 H new ATOM 0 HG13 ILE A 111 0.491 5.212 -4.834 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -0.398 7.611 -3.226 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -2.008 7.832 -3.952 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -1.432 6.198 -3.544 1.00 0.75 H new ATOM 0 HD11 ILE A 111 2.318 5.395 -6.449 1.00 1.61 H new ATOM 0 HD12 ILE A 111 0.744 5.525 -7.270 1.00 1.61 H new ATOM 0 HD13 ILE A 111 1.715 6.986 -6.972 1.00 1.61 H new ATOM 1798 N ARG A 112 -3.379 8.010 -6.099 1.00 0.72 N ATOM 1799 CA ARG A 112 -4.737 8.432 -5.773 1.00 0.75 C ATOM 1800 C ARG A 112 -5.753 7.682 -6.635 1.00 0.81 C ATOM 1801 O ARG A 112 -6.797 7.233 -6.145 1.00 0.85 O ATOM 1802 CB ARG A 112 -4.887 9.949 -5.951 1.00 0.85 C ATOM 1803 CG ARG A 112 -4.516 10.453 -7.328 1.00 1.09 C ATOM 1804 CD ARG A 112 -4.793 11.934 -7.448 1.00 1.50 C ATOM 1805 NE ARG A 112 -4.549 12.431 -8.800 1.00 1.51 N ATOM 1806 CZ ARG A 112 -4.603 13.718 -9.141 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -4.892 14.642 -8.234 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -4.361 14.079 -10.392 1.00 2.25 N ATOM 0 H ARG A 112 -2.788 8.748 -6.483 1.00 0.72 H new ATOM 0 HA ARG A 112 -4.932 8.191 -4.728 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -5.920 10.227 -5.741 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -4.264 10.453 -5.212 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -3.461 10.259 -7.520 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -5.082 9.910 -8.084 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -5.828 12.132 -7.171 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -4.164 12.478 -6.743 1.00 1.50 H new ATOM 0 HE ARG A 112 -4.324 11.752 -9.527 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -5.075 14.369 -7.268 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -4.932 15.625 -8.502 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -4.134 13.373 -11.092 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -4.402 15.063 -10.656 1.00 2.25 H new ATOM 1822 N ASP A 113 -5.427 7.518 -7.913 1.00 0.86 N ATOM 1823 CA ASP A 113 -6.308 6.814 -8.831 1.00 0.94 C ATOM 1824 C ASP A 113 -6.466 5.362 -8.409 1.00 0.93 C ATOM 1825 O ASP A 113 -7.580 4.877 -8.243 1.00 0.98 O ATOM 1826 CB ASP A 113 -5.765 6.882 -10.257 1.00 1.05 C ATOM 1827 CG ASP A 113 -6.727 6.284 -11.267 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -7.587 7.017 -11.793 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -6.621 5.071 -11.547 1.00 1.23 O ATOM 0 H ASP A 113 -4.563 7.862 -8.333 1.00 0.86 H new ATOM 0 HA ASP A 113 -7.284 7.299 -8.803 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -5.566 7.921 -10.519 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -4.813 6.353 -10.307 1.00 1.05 H new ATOM 1834 N ALA A 114 -5.344 4.687 -8.193 1.00 0.92 N ATOM 1835 CA ALA A 114 -5.357 3.271 -7.864 1.00 0.95 C ATOM 1836 C ALA A 114 -6.065 2.993 -6.542 1.00 0.91 C ATOM 1837 O ALA A 114 -6.784 2.003 -6.424 1.00 0.95 O ATOM 1838 CB ALA A 114 -3.943 2.725 -7.825 1.00 1.03 C ATOM 0 H ALA A 114 -4.413 5.100 -8.240 1.00 0.92 H new ATOM 0 HA ALA A 114 -5.919 2.763 -8.648 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -3.969 1.664 -7.577 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -3.474 2.859 -8.800 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -3.367 3.260 -7.069 1.00 1.03 H new ATOM 1844 N VAL A 115 -5.876 3.855 -5.545 1.00 0.89 N ATOM 1845 CA VAL A 115 -6.511 3.626 -4.253 1.00 1.01 C ATOM 1846 C VAL A 115 -8.025 3.812 -4.346 1.00 1.06 C ATOM 1847 O VAL A 115 -8.780 3.092 -3.698 1.00 1.17 O ATOM 1848 CB VAL A 115 -5.937 4.511 -3.116 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -4.461 4.214 -2.894 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -6.151 5.993 -3.390 1.00 1.13 C ATOM 0 H VAL A 115 -5.303 4.697 -5.604 1.00 0.89 H new ATOM 0 HA VAL A 115 -6.286 2.592 -3.992 1.00 1.01 H new ATOM 0 HB VAL A 115 -6.482 4.264 -2.205 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -4.079 4.846 -2.092 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -4.338 3.166 -2.620 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -3.907 4.417 -3.811 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -5.735 6.578 -2.570 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -5.653 6.267 -4.320 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -7.218 6.197 -3.476 1.00 1.13 H new ATOM 1860 N LYS A 116 -8.471 4.757 -5.174 1.00 1.06 N ATOM 1861 CA LYS A 116 -9.905 4.966 -5.374 1.00 1.22 C ATOM 1862 C LYS A 116 -10.487 3.935 -6.341 1.00 1.24 C ATOM 1863 O LYS A 116 -11.697 3.699 -6.359 1.00 1.48 O ATOM 1864 CB LYS A 116 -10.182 6.382 -5.888 1.00 1.30 C ATOM 1865 CG LYS A 116 -9.966 7.466 -4.843 1.00 2.03 C ATOM 1866 CD LYS A 116 -10.888 7.278 -3.646 1.00 2.39 C ATOM 1867 CE LYS A 116 -10.754 8.416 -2.644 1.00 3.01 C ATOM 1868 NZ LYS A 116 -9.365 8.547 -2.131 1.00 3.72 N ATOM 0 H LYS A 116 -7.869 5.382 -5.710 1.00 1.06 H new ATOM 0 HA LYS A 116 -10.392 4.841 -4.407 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -9.537 6.581 -6.744 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -11.210 6.434 -6.246 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -8.928 7.451 -4.510 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -10.143 8.444 -5.290 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -11.921 7.216 -3.989 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -10.658 6.333 -3.155 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -11.056 9.351 -3.115 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -11.434 8.246 -1.809 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -9.311 9.354 -1.478 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -9.097 7.677 -1.629 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -8.714 8.702 -2.927 1.00 3.72 H new ATOM 1882 N LYS A 117 -9.623 3.329 -7.145 1.00 1.07 N ATOM 1883 CA LYS A 117 -10.047 2.319 -8.110 1.00 1.13 C ATOM 1884 C LYS A 117 -10.152 0.943 -7.464 1.00 1.02 C ATOM 1885 O LYS A 117 -11.113 0.211 -7.703 1.00 1.07 O ATOM 1886 CB LYS A 117 -9.090 2.270 -9.305 1.00 1.24 C ATOM 1887 CG LYS A 117 -9.603 3.017 -10.528 1.00 1.58 C ATOM 1888 CD LYS A 117 -9.950 4.462 -10.208 1.00 2.03 C ATOM 1889 CE LYS A 117 -10.500 5.189 -11.423 1.00 2.71 C ATOM 1890 NZ LYS A 117 -9.502 5.282 -12.522 1.00 3.47 N ATOM 0 H LYS A 117 -8.621 3.519 -7.149 1.00 1.07 H new ATOM 0 HA LYS A 117 -11.037 2.603 -8.467 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -8.130 2.692 -9.008 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -8.911 1.229 -9.574 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -8.847 2.991 -11.313 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -10.485 2.510 -10.919 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -10.685 4.490 -9.403 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -9.061 4.978 -9.846 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -11.388 4.670 -11.784 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -10.813 6.192 -11.133 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -9.996 5.329 -13.436 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -8.925 6.138 -12.395 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -8.887 4.444 -12.504 1.00 3.47 H new ATOM 1904 N TYR A 118 -9.169 0.593 -6.646 1.00 0.95 N ATOM 1905 CA TYR A 118 -9.171 -0.694 -5.968 1.00 0.95 C ATOM 1906 C TYR A 118 -10.250 -0.745 -4.891 1.00 1.19 C ATOM 1907 O TYR A 118 -11.001 -1.717 -4.803 1.00 1.58 O ATOM 1908 CB TYR A 118 -7.803 -0.990 -5.341 1.00 1.75 C ATOM 1909 CG TYR A 118 -7.858 -2.083 -4.291 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -7.825 -3.421 -4.663 1.00 1.87 C ATOM 1911 CD2 TYR A 118 -7.912 -1.779 -2.935 1.00 2.44 C ATOM 1912 CE1 TYR A 118 -7.842 -4.424 -3.719 1.00 2.31 C ATOM 1913 CE2 TYR A 118 -7.923 -2.782 -1.982 1.00 2.86 C ATOM 1914 CZ TYR A 118 -8.030 -4.067 -2.354 1.00 2.77 C ATOM 1915 OH TYR A 118 -7.885 -5.104 -1.445 1.00 3.35 O ATOM 0 H TYR A 118 -8.362 1.181 -6.437 1.00 0.95 H new ATOM 0 HA TYR A 118 -9.386 -1.455 -6.718 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -7.105 -1.282 -6.126 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -7.411 -0.079 -4.889 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -7.785 -3.679 -5.711 1.00 1.87 H new ATOM 0 HD2 TYR A 118 -7.946 -0.746 -2.622 1.00 2.44 H new ATOM 0 HE1 TYR A 118 -7.716 -5.457 -4.008 1.00 2.31 H new ATOM 0 HE2 TYR A 118 -7.845 -2.530 -0.935 1.00 2.86 H new ATOM 0 HH TYR A 118 -8.146 -5.949 -1.868 1.00 3.35 H new ATOM 1925 N LEU A 119 -10.311 0.297 -4.074 1.00 1.95 N ATOM 1926 CA LEU A 119 -11.211 0.320 -2.932 1.00 3.13 C ATOM 1927 C LEU A 119 -12.656 0.472 -3.406 1.00 3.69 C ATOM 1928 O LEU A 119 -12.985 1.425 -4.112 1.00 4.16 O ATOM 1929 CB LEU A 119 -10.817 1.465 -1.987 1.00 3.96 C ATOM 1930 CG LEU A 119 -10.968 1.181 -0.485 1.00 4.75 C ATOM 1931 CD1 LEU A 119 -10.366 2.316 0.330 1.00 5.37 C ATOM 1932 CD2 LEU A 119 -12.428 0.983 -0.106 1.00 5.51 C ATOM 0 H LEU A 119 -9.746 1.139 -4.182 1.00 1.95 H new ATOM 0 HA LEU A 119 -11.132 -0.621 -2.387 1.00 3.13 H new ATOM 0 HB2 LEU A 119 -9.778 1.731 -2.184 1.00 3.96 H new ATOM 0 HB3 LEU A 119 -11.421 2.338 -2.234 1.00 3.96 H new ATOM 0 HG LEU A 119 -10.432 0.259 -0.263 1.00 4.75 H new ATOM 0 HD11 LEU A 119 -10.480 2.101 1.393 1.00 5.37 H new ATOM 0 HD12 LEU A 119 -9.307 2.413 0.091 1.00 5.37 H new ATOM 0 HD13 LEU A 119 -10.879 3.248 0.091 1.00 5.37 H new ATOM 0 HD21 LEU A 119 -12.503 0.784 0.963 1.00 5.51 H new ATOM 0 HD22 LEU A 119 -12.992 1.884 -0.347 1.00 5.51 H new ATOM 0 HD23 LEU A 119 -12.837 0.139 -0.662 1.00 5.51 H new ATOM 1944 N PRO A 120 -13.521 -0.501 -3.055 1.00 4.08 N ATOM 1945 CA PRO A 120 -14.944 -0.494 -3.408 1.00 4.76 C ATOM 1946 C PRO A 120 -15.624 0.834 -3.100 1.00 5.30 C ATOM 1947 O PRO A 120 -16.186 1.474 -3.992 1.00 5.67 O ATOM 1948 CB PRO A 120 -15.548 -1.598 -2.526 1.00 5.36 C ATOM 1949 CG PRO A 120 -14.455 -2.030 -1.604 1.00 5.32 C ATOM 1950 CD PRO A 120 -13.172 -1.710 -2.302 1.00 4.35 C ATOM 0 HA PRO A 120 -15.082 -0.650 -4.478 1.00 4.76 H new ATOM 0 HB2 PRO A 120 -16.406 -1.225 -1.967 1.00 5.36 H new ATOM 0 HB3 PRO A 120 -15.901 -2.433 -3.132 1.00 5.36 H new ATOM 0 HG2 PRO A 120 -14.521 -1.507 -0.650 1.00 5.32 H new ATOM 0 HG3 PRO A 120 -14.526 -3.096 -1.388 1.00 5.32 H new ATOM 0 HD2 PRO A 120 -12.359 -1.531 -1.598 1.00 4.35 H new ATOM 0 HD3 PRO A 120 -12.852 -2.520 -2.958 1.00 4.35 H new ATOM 1958 N LEU A 121 -15.592 1.211 -1.819 1.00 5.76 N ATOM 1959 CA LEU A 121 -16.157 2.476 -1.339 1.00 6.64 C ATOM 1960 C LEU A 121 -17.675 2.395 -1.319 1.00 7.21 C ATOM 1961 O LEU A 121 -18.373 3.407 -1.248 1.00 8.02 O ATOM 1962 CB LEU A 121 -15.683 3.664 -2.189 1.00 7.00 C ATOM 1963 CG LEU A 121 -14.182 3.946 -2.129 1.00 7.64 C ATOM 1964 CD1 LEU A 121 -13.810 5.048 -3.106 1.00 8.32 C ATOM 1965 CD2 LEU A 121 -13.768 4.327 -0.716 1.00 8.23 C ATOM 0 H LEU A 121 -15.172 0.645 -1.082 1.00 5.76 H new ATOM 0 HA LEU A 121 -15.800 2.643 -0.323 1.00 6.64 H new ATOM 0 HB2 LEU A 121 -15.962 3.482 -3.227 1.00 7.00 H new ATOM 0 HB3 LEU A 121 -16.218 4.557 -1.867 1.00 7.00 H new ATOM 0 HG LEU A 121 -13.649 3.038 -2.412 1.00 7.64 H new ATOM 0 HD11 LEU A 121 -12.738 5.237 -3.051 1.00 8.32 H new ATOM 0 HD12 LEU A 121 -14.073 4.741 -4.118 1.00 8.32 H new ATOM 0 HD13 LEU A 121 -14.352 5.959 -2.851 1.00 8.32 H new ATOM 0 HD21 LEU A 121 -12.696 4.524 -0.692 1.00 8.23 H new ATOM 0 HD22 LEU A 121 -14.309 5.222 -0.407 1.00 8.23 H new ATOM 0 HD23 LEU A 121 -14.002 3.509 -0.035 1.00 8.23 H new ATOM 1977 N LYS A 122 -18.170 1.170 -1.355 1.00 6.97 N ATOM 1978 CA LYS A 122 -19.593 0.911 -1.345 1.00 7.57 C ATOM 1979 C LYS A 122 -19.902 -0.103 -0.252 1.00 7.91 C ATOM 1980 O LYS A 122 -19.107 -0.294 0.672 1.00 8.21 O ATOM 1981 CB LYS A 122 -20.036 0.352 -2.698 1.00 7.50 C ATOM 1982 CG LYS A 122 -21.462 0.709 -3.069 1.00 7.88 C ATOM 1983 CD LYS A 122 -21.981 -0.154 -4.208 1.00 8.29 C ATOM 1984 CE LYS A 122 -21.143 0.009 -5.470 1.00 8.52 C ATOM 1985 NZ LYS A 122 -21.361 1.325 -6.129 1.00 9.01 N ATOM 0 H LYS A 122 -17.594 0.329 -1.392 1.00 6.97 H new ATOM 0 HA LYS A 122 -20.129 1.841 -1.156 1.00 7.57 H new ATOM 0 HB2 LYS A 122 -19.365 0.724 -3.472 1.00 7.50 H new ATOM 0 HB3 LYS A 122 -19.935 -0.733 -2.683 1.00 7.50 H new ATOM 0 HG2 LYS A 122 -22.106 0.587 -2.198 1.00 7.88 H new ATOM 0 HG3 LYS A 122 -21.511 1.759 -3.357 1.00 7.88 H new ATOM 0 HD2 LYS A 122 -21.977 -1.200 -3.902 1.00 8.29 H new ATOM 0 HD3 LYS A 122 -23.016 0.112 -4.422 1.00 8.29 H new ATOM 0 HE2 LYS A 122 -20.088 -0.098 -5.219 1.00 8.52 H new ATOM 0 HE3 LYS A 122 -21.387 -0.790 -6.170 1.00 8.52 H new ATOM 0 HZ1 LYS A 122 -20.770 1.388 -6.982 1.00 9.01 H new ATOM 0 HZ2 LYS A 122 -22.362 1.419 -6.394 1.00 9.01 H new ATOM 0 HZ3 LYS A 122 -21.104 2.089 -5.472 1.00 9.01 H new ATOM 1999 N SER A 123 -21.045 -0.755 -0.366 1.00 8.13 N ATOM 2000 CA SER A 123 -21.420 -1.811 0.557 1.00 8.74 C ATOM 2001 C SER A 123 -22.349 -2.816 -0.118 1.00 9.13 C ATOM 2002 O SER A 123 -22.595 -3.901 0.411 1.00 9.77 O ATOM 2003 CB SER A 123 -22.089 -1.219 1.799 1.00 9.55 C ATOM 2004 OG SER A 123 -23.207 -0.420 1.447 1.00 10.02 O ATOM 0 H SER A 123 -21.734 -0.570 -1.095 1.00 8.13 H new ATOM 0 HA SER A 123 -20.514 -2.335 0.863 1.00 8.74 H new ATOM 0 HB2 SER A 123 -22.408 -2.023 2.462 1.00 9.55 H new ATOM 0 HB3 SER A 123 -21.368 -0.617 2.352 1.00 9.55 H new ATOM 0 HG SER A 123 -23.617 -0.055 2.259 1.00 10.02 H new ATOM 2010 N ASN A 124 -22.871 -2.461 -1.291 1.00 8.97 N ATOM 2011 CA ASN A 124 -23.776 -3.356 -1.995 1.00 9.58 C ATOM 2012 C ASN A 124 -23.155 -3.877 -3.283 1.00 9.85 C ATOM 2013 O ASN A 124 -23.187 -3.214 -4.319 1.00 10.46 O ATOM 2014 CB ASN A 124 -25.115 -2.678 -2.301 1.00 9.87 C ATOM 2015 CG ASN A 124 -26.078 -3.623 -2.999 1.00 10.41 C ATOM 2016 OD1 ASN A 124 -26.038 -4.836 -2.793 1.00 10.72 O ATOM 2017 ND2 ASN A 124 -26.951 -3.080 -3.830 1.00 10.73 N ATOM 0 H ASN A 124 -22.685 -1.576 -1.764 1.00 8.97 H new ATOM 0 HA ASN A 124 -23.960 -4.201 -1.331 1.00 9.58 H new ATOM 0 HB2 ASN A 124 -25.563 -2.322 -1.373 1.00 9.87 H new ATOM 0 HB3 ASN A 124 -24.945 -1.803 -2.929 1.00 9.87 H new ATOM 0 HD21 ASN A 124 -27.620 -3.670 -4.324 1.00 10.73 H new ATOM 0 HD22 ASN A 124 -26.956 -2.071 -3.977 1.00 10.73 H new ATOM 2024 N LEU A 125 -22.568 -5.057 -3.191 1.00 9.60 N ATOM 2025 CA LEU A 125 -22.064 -5.774 -4.349 1.00 10.02 C ATOM 2026 C LEU A 125 -22.479 -7.230 -4.230 1.00 10.81 C ATOM 2027 O LEU A 125 -22.969 -7.650 -3.181 1.00 11.19 O ATOM 2028 CB LEU A 125 -20.535 -5.670 -4.444 1.00 10.19 C ATOM 2029 CG LEU A 125 -19.985 -4.269 -4.723 1.00 10.16 C ATOM 2030 CD1 LEU A 125 -18.465 -4.275 -4.665 1.00 10.20 C ATOM 2031 CD2 LEU A 125 -20.460 -3.768 -6.079 1.00 10.52 C ATOM 0 H LEU A 125 -22.427 -5.547 -2.308 1.00 9.60 H new ATOM 0 HA LEU A 125 -22.481 -5.332 -5.254 1.00 10.02 H new ATOM 0 HB2 LEU A 125 -20.105 -6.030 -3.509 1.00 10.19 H new ATOM 0 HB3 LEU A 125 -20.191 -6.340 -5.232 1.00 10.19 H new ATOM 0 HG LEU A 125 -20.361 -3.593 -3.955 1.00 10.16 H new ATOM 0 HD11 LEU A 125 -18.089 -3.272 -4.866 1.00 10.20 H new ATOM 0 HD12 LEU A 125 -18.140 -4.593 -3.674 1.00 10.20 H new ATOM 0 HD13 LEU A 125 -18.075 -4.965 -5.414 1.00 10.20 H new ATOM 0 HD21 LEU A 125 -20.059 -2.771 -6.259 1.00 10.52 H new ATOM 0 HD22 LEU A 125 -20.113 -4.445 -6.859 1.00 10.52 H new ATOM 0 HD23 LEU A 125 -21.549 -3.729 -6.091 1.00 10.52 H new ATOM 2043 N GLU A 126 -22.281 -8.004 -5.284 1.00 11.23 N ATOM 2044 CA GLU A 126 -22.618 -9.421 -5.249 1.00 12.15 C ATOM 2045 C GLU A 126 -21.447 -10.230 -4.703 1.00 12.62 C ATOM 2046 O GLU A 126 -21.335 -11.431 -4.936 1.00 12.75 O ATOM 2047 CB GLU A 126 -23.019 -9.923 -6.636 1.00 12.73 C ATOM 2048 CG GLU A 126 -24.279 -9.270 -7.176 1.00 12.68 C ATOM 2049 CD GLU A 126 -25.437 -9.343 -6.199 1.00 13.31 C ATOM 2050 OE1 GLU A 126 -25.946 -10.453 -5.948 1.00 13.59 O ATOM 2051 OE2 GLU A 126 -25.841 -8.287 -5.668 1.00 13.65 O ATOM 0 H GLU A 126 -21.892 -7.680 -6.169 1.00 11.23 H new ATOM 0 HA GLU A 126 -23.472 -9.552 -4.585 1.00 12.15 H new ATOM 0 HB2 GLU A 126 -22.199 -9.741 -7.331 1.00 12.73 H new ATOM 0 HB3 GLU A 126 -23.168 -11.002 -6.594 1.00 12.73 H new ATOM 0 HG2 GLU A 126 -24.071 -8.226 -7.410 1.00 12.68 H new ATOM 0 HG3 GLU A 126 -24.564 -9.756 -8.109 1.00 12.68 H new ATOM 2058 N HIS A 127 -20.582 -9.552 -3.964 1.00 13.05 N ATOM 2059 CA HIS A 127 -19.464 -10.196 -3.294 1.00 13.73 C ATOM 2060 C HIS A 127 -19.845 -10.462 -1.848 1.00 14.46 C ATOM 2061 O HIS A 127 -20.341 -9.569 -1.165 1.00 15.02 O ATOM 2062 CB HIS A 127 -18.210 -9.316 -3.351 1.00 13.95 C ATOM 2063 CG HIS A 127 -17.625 -9.164 -4.724 1.00 13.92 C ATOM 2064 ND1 HIS A 127 -16.286 -9.341 -4.992 1.00 13.85 N ATOM 2065 CD2 HIS A 127 -18.197 -8.826 -5.903 1.00 14.14 C ATOM 2066 CE1 HIS A 127 -16.059 -9.118 -6.271 1.00 14.02 C ATOM 2067 NE2 HIS A 127 -17.203 -8.802 -6.845 1.00 14.19 N ATOM 0 H HIS A 127 -20.635 -8.545 -3.813 1.00 13.05 H new ATOM 0 HA HIS A 127 -19.239 -11.135 -3.800 1.00 13.73 H new ATOM 0 HB2 HIS A 127 -18.456 -8.328 -2.962 1.00 13.95 H new ATOM 0 HB3 HIS A 127 -17.453 -9.739 -2.691 1.00 13.95 H new ATOM 0 HD2 HIS A 127 -19.243 -8.615 -6.070 1.00 14.14 H new ATOM 0 HE1 HIS A 127 -15.100 -9.183 -6.764 1.00 14.02 H new ATOM 0 HE2 HIS A 127 -17.328 -8.576 -7.832 1.00 14.19 H new ATOM 2076 N HIS A 128 -19.634 -11.683 -1.386 1.00 14.57 N ATOM 2077 CA HIS A 128 -20.036 -12.055 -0.036 1.00 15.36 C ATOM 2078 C HIS A 128 -19.120 -11.441 1.014 1.00 15.73 C ATOM 2079 O HIS A 128 -19.592 -10.999 2.060 1.00 15.78 O ATOM 2080 CB HIS A 128 -20.083 -13.577 0.126 1.00 15.59 C ATOM 2081 CG HIS A 128 -21.288 -14.207 -0.502 1.00 16.16 C ATOM 2082 ND1 HIS A 128 -21.466 -15.570 -0.590 1.00 16.55 N ATOM 2083 CD2 HIS A 128 -22.388 -13.651 -1.060 1.00 16.56 C ATOM 2084 CE1 HIS A 128 -22.622 -15.825 -1.176 1.00 17.14 C ATOM 2085 NE2 HIS A 128 -23.200 -14.677 -1.470 1.00 17.17 N ATOM 0 H HIS A 128 -19.190 -12.430 -1.920 1.00 14.57 H new ATOM 0 HA HIS A 128 -21.039 -11.658 0.119 1.00 15.36 H new ATOM 0 HB2 HIS A 128 -19.185 -14.009 -0.315 1.00 15.59 H new ATOM 0 HB3 HIS A 128 -20.066 -13.822 1.188 1.00 15.59 H new ATOM 0 HD2 HIS A 128 -22.589 -12.595 -1.163 1.00 16.56 H new ATOM 0 HE1 HIS A 128 -23.025 -16.806 -1.380 1.00 17.14 H new ATOM 0 HE2 HIS A 128 -24.105 -14.570 -1.928 1.00 17.17 H new ATOM 2094 N HIS A 129 -17.817 -11.407 0.727 1.00 16.11 N ATOM 2095 CA HIS A 129 -16.824 -10.896 1.676 1.00 16.58 C ATOM 2096 C HIS A 129 -16.949 -11.648 3.002 1.00 17.23 C ATOM 2097 O HIS A 129 -16.763 -11.091 4.083 1.00 17.50 O ATOM 2098 CB HIS A 129 -17.000 -9.381 1.875 1.00 16.58 C ATOM 2099 CG HIS A 129 -15.866 -8.722 2.605 1.00 16.90 C ATOM 2100 ND1 HIS A 129 -14.560 -8.780 2.175 1.00 16.88 N ATOM 2101 CD2 HIS A 129 -15.852 -7.982 3.739 1.00 17.40 C ATOM 2102 CE1 HIS A 129 -13.793 -8.108 3.010 1.00 17.35 C ATOM 2103 NE2 HIS A 129 -14.549 -7.608 3.969 1.00 17.66 N ATOM 0 H HIS A 129 -17.423 -11.728 -0.158 1.00 16.11 H new ATOM 0 HA HIS A 129 -15.823 -11.062 1.277 1.00 16.58 H new ATOM 0 HB2 HIS A 129 -17.113 -8.908 0.899 1.00 16.58 H new ATOM 0 HB3 HIS A 129 -17.924 -9.203 2.425 1.00 16.58 H new ATOM 0 HD2 HIS A 129 -16.707 -7.732 4.350 1.00 17.40 H new ATOM 0 HE1 HIS A 129 -12.723 -7.987 2.924 1.00 17.35 H new ATOM 0 HE2 HIS A 129 -14.222 -7.039 4.750 1.00 17.66 H new ATOM 2112 N HIS A 130 -17.267 -12.930 2.887 1.00 17.61 N ATOM 2113 CA HIS A 130 -17.494 -13.788 4.037 1.00 18.35 C ATOM 2114 C HIS A 130 -17.447 -15.241 3.591 1.00 19.00 C ATOM 2115 O HIS A 130 -18.312 -15.695 2.840 1.00 19.31 O ATOM 2116 CB HIS A 130 -18.850 -13.462 4.679 1.00 18.48 C ATOM 2117 CG HIS A 130 -19.200 -14.325 5.854 1.00 18.54 C ATOM 2118 ND1 HIS A 130 -18.372 -14.491 6.940 1.00 19.17 N ATOM 2119 CD2 HIS A 130 -20.303 -15.069 6.111 1.00 18.19 C ATOM 2120 CE1 HIS A 130 -18.947 -15.297 7.814 1.00 19.21 C ATOM 2121 NE2 HIS A 130 -20.122 -15.663 7.336 1.00 18.63 N ATOM 0 H HIS A 130 -17.375 -13.404 1.990 1.00 17.61 H new ATOM 0 HA HIS A 130 -16.717 -13.618 4.782 1.00 18.35 H new ATOM 0 HB2 HIS A 130 -18.847 -12.419 4.997 1.00 18.48 H new ATOM 0 HB3 HIS A 130 -19.630 -13.563 3.924 1.00 18.48 H new ATOM 0 HD2 HIS A 130 -21.166 -15.175 5.470 1.00 18.19 H new ATOM 0 HE1 HIS A 130 -18.527 -15.605 8.760 1.00 19.21 H new ATOM 0 HE2 HIS A 130 -20.785 -16.284 7.800 1.00 18.63 H new ATOM 2130 N HIS A 131 -16.432 -15.960 4.035 1.00 19.31 N ATOM 2131 CA HIS A 131 -16.231 -17.331 3.599 1.00 20.05 C ATOM 2132 C HIS A 131 -16.376 -18.305 4.764 1.00 20.81 C ATOM 2133 O HIS A 131 -15.994 -18.006 5.892 1.00 21.07 O ATOM 2134 CB HIS A 131 -14.851 -17.475 2.948 1.00 20.08 C ATOM 2135 CG HIS A 131 -14.546 -18.855 2.458 1.00 20.69 C ATOM 2136 ND1 HIS A 131 -13.681 -19.706 3.106 1.00 21.19 N ATOM 2137 CD2 HIS A 131 -14.995 -19.530 1.377 1.00 20.98 C ATOM 2138 CE1 HIS A 131 -13.611 -20.843 2.447 1.00 21.75 C ATOM 2139 NE2 HIS A 131 -14.399 -20.765 1.392 1.00 21.64 N ATOM 0 H HIS A 131 -15.735 -15.618 4.696 1.00 19.31 H new ATOM 0 HA HIS A 131 -16.998 -17.574 2.864 1.00 20.05 H new ATOM 0 HB2 HIS A 131 -14.782 -16.781 2.111 1.00 20.08 H new ATOM 0 HB3 HIS A 131 -14.089 -17.181 3.669 1.00 20.08 H new ATOM 0 HD2 HIS A 131 -15.693 -19.165 0.639 1.00 20.98 H new ATOM 0 HE1 HIS A 131 -13.010 -21.696 2.723 1.00 21.75 H new ATOM 0 HE2 HIS A 131 -14.542 -21.502 0.701 1.00 21.64 H new ATOM 2148 N HIS A 132 -16.946 -19.461 4.472 1.00 21.26 N ATOM 2149 CA HIS A 132 -17.102 -20.524 5.448 1.00 22.09 C ATOM 2150 C HIS A 132 -16.239 -21.717 5.056 1.00 22.39 C ATOM 2151 O HIS A 132 -16.520 -22.341 4.012 1.00 22.87 O ATOM 2152 CB HIS A 132 -18.575 -20.935 5.550 1.00 22.48 C ATOM 2153 CG HIS A 132 -18.828 -22.062 6.502 1.00 22.85 C ATOM 2154 ND1 HIS A 132 -19.319 -23.282 6.102 1.00 22.57 N ATOM 2155 CD2 HIS A 132 -18.661 -22.146 7.841 1.00 23.59 C ATOM 2156 CE1 HIS A 132 -19.444 -24.069 7.153 1.00 23.12 C ATOM 2157 NE2 HIS A 132 -19.050 -23.404 8.225 1.00 23.74 N ATOM 2158 OXT HIS A 132 -15.288 -22.031 5.796 1.00 22.23 O ATOM 0 H HIS A 132 -17.315 -19.689 3.549 1.00 21.26 H new ATOM 0 HA HIS A 132 -16.777 -20.164 6.424 1.00 22.09 H new ATOM 0 HB2 HIS A 132 -19.162 -20.071 5.862 1.00 22.48 H new ATOM 0 HB3 HIS A 132 -18.931 -21.222 4.561 1.00 22.48 H new ATOM 0 HD2 HIS A 132 -18.290 -21.366 8.489 1.00 23.59 H new ATOM 0 HE1 HIS A 132 -19.807 -25.086 7.140 1.00 23.12 H new ATOM 0 HE2 HIS A 132 -19.037 -23.766 9.179 1.00 23.74 H new TER 2167 HIS A 132