USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 864 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 94 HIS : no HE2:sc= -0.247 X(o=-0.19,f=-0.53) USER MOD Set 1.2: A 106 HIS :FLIP no HE2:sc= 0.0546 F(o=-0.84,f=-0.19) USER MOD Set 2.1: A 54 ASN : amide:sc= 0.696 K(o=2.1,f=-1.8) USER MOD Set 2.2: A 56 THR OG1 : rot 59:sc= 1.42 USER MOD Set 3.1: A 32 GLN : amide:sc= 0.304 K(o=1.5,f=0.21) USER MOD Set 3.2: A 36 LYS NZ :NH3+ -121:sc= 0.877 (180deg=-1.17) USER MOD Set 3.3: A 43 TYR OH : rot 30:sc= 0.285 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= -0.0716 (180deg=-0.226) USER MOD Single : A 2 SER OG : rot 137:sc= 0.467 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.605 K(o=-0.61,f=-5.2!) USER MOD Single : A 6 ASN : amide:sc= -1.16! C(o=-1.2!,f=-9.3!) USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= 1 (180deg=-1.23) USER MOD Single : A 9 ASN : amide:sc= 0.0551 K(o=0.055,f=-1.8!) USER MOD Single : A 10 TYR OH : rot 12:sc= 1.38 USER MOD Single : A 11 GLN : amide:sc= -1.94 K(o=-1.9,f=-12!) USER MOD Single : A 12 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.55) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -60:sc= 0.465 USER MOD Single : A 20 MET CE :methyl -163:sc= -0.359 (180deg=-1.09) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.097 X(o=-0.097,f=-0.33) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 34 THR OG1 : rot -30:sc= 1.04 USER MOD Single : A 35 THR OG1 : rot 48:sc= 0.441 USER MOD Single : A 39 THR OG1 : rot 44:sc= 1.2 USER MOD Single : A 44 TYR OH : rot -155:sc= 0.103 USER MOD Single : A 49 TYR OH : rot -6:sc= -0.254! USER MOD Single : A 52 CYS SG : rot 119:sc= -4.48! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 140:sc= 0.904 USER MOD Single : A 61 GLN : amide:sc= -0.969 K(o=-0.97,f=-5.3!) USER MOD Single : A 62 CYS SG : rot -131:sc= -0.445 USER MOD Single : A 66 THR OG1 : rot -128:sc= -1.13 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0409) USER MOD Single : A 83 HIS : no HE2:sc= 0.594 K(o=0.59,f=-4.4!) USER MOD Single : A 85 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0929) USER MOD Single : A 88 CYS SG : rot -115:sc= 0.775 USER MOD Single : A 89 TYR OH : rot 57:sc= 0.301 USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 0.0467! (180deg=-0.0698!) USER MOD Single : A 91 THR OG1 : rot -27:sc= 0.698 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 140:sc= -0.211 (180deg=-1.15) USER MOD Single : A 107 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 108 HIS : no HE2:sc= 0.714 K(o=0.71,f=-2.5!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 110 HIS : no HE2:sc= 0.368 K(o=0.37,f=-3.2!) USER MOD Single : A 111 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.808 -7.333 2.384 1.00 32.42 N ATOM 2 CA MET A 1 -6.941 -7.280 1.177 1.00 75.22 C ATOM 3 C MET A 1 -5.985 -6.075 1.218 1.00 12.24 C ATOM 4 O MET A 1 -6.199 -5.123 1.970 1.00 45.34 O ATOM 5 CB MET A 1 -7.810 -7.252 -0.093 1.00 42.54 C ATOM 6 CG MET A 1 -8.922 -6.206 -0.082 1.00 63.41 C ATOM 7 SD MET A 1 -8.300 -4.513 -0.047 1.00 54.11 S ATOM 8 CE MET A 1 -9.833 -3.590 0.035 1.00 21.10 C ATOM 0 H1 MET A 1 -8.697 -7.820 2.152 1.00 32.42 H new ATOM 0 H2 MET A 1 -7.318 -7.850 3.141 1.00 32.42 H new ATOM 0 H3 MET A 1 -8.017 -6.366 2.704 1.00 32.42 H new ATOM 0 HA MET A 1 -6.324 -8.178 1.162 1.00 75.22 H new ATOM 0 HB2 MET A 1 -7.166 -7.069 -0.953 1.00 42.54 H new ATOM 0 HB3 MET A 1 -8.257 -8.236 -0.233 1.00 42.54 H new ATOM 0 HG2 MET A 1 -9.547 -6.339 -0.965 1.00 63.41 H new ATOM 0 HG3 MET A 1 -9.559 -6.371 0.787 1.00 63.41 H new ATOM 0 HE1 MET A 1 -9.614 -2.523 0.063 1.00 21.10 H new ATOM 0 HE2 MET A 1 -10.439 -3.813 -0.843 1.00 21.10 H new ATOM 0 HE3 MET A 1 -10.380 -3.872 0.935 1.00 21.10 H new ATOM 20 N SER A 2 -4.923 -6.131 0.414 1.00 2.44 N ATOM 21 CA SER A 2 -3.927 -5.046 0.353 1.00 10.44 C ATOM 22 C SER A 2 -3.640 -4.639 -1.093 1.00 10.02 C ATOM 23 O SER A 2 -3.876 -5.412 -2.018 1.00 64.43 O ATOM 24 CB SER A 2 -2.613 -5.469 1.023 1.00 70.12 C ATOM 25 OG SER A 2 -2.808 -5.808 2.386 1.00 30.52 O ATOM 0 H SER A 2 -4.725 -6.915 -0.207 1.00 2.44 H new ATOM 0 HA SER A 2 -4.348 -4.194 0.887 1.00 10.44 H new ATOM 0 HB2 SER A 2 -2.191 -6.322 0.492 1.00 70.12 H new ATOM 0 HB3 SER A 2 -1.889 -4.658 0.949 1.00 70.12 H new ATOM 0 HG SER A 2 -2.307 -6.624 2.595 1.00 30.52 H new ATOM 31 N TRP A 3 -3.091 -3.436 -1.269 1.00 62.41 N ATOM 32 CA TRP A 3 -2.797 -2.875 -2.601 1.00 1.32 C ATOM 33 C TRP A 3 -2.135 -3.909 -3.537 1.00 65.31 C ATOM 34 O TRP A 3 -2.625 -4.172 -4.641 1.00 73.23 O ATOM 35 CB TRP A 3 -1.896 -1.641 -2.435 1.00 40.41 C ATOM 36 CG TRP A 3 -1.607 -0.898 -3.707 1.00 23.30 C ATOM 37 CD1 TRP A 3 -2.506 -0.503 -4.660 1.00 42.12 C ATOM 38 CD2 TRP A 3 -0.327 -0.431 -4.149 1.00 11.13 C ATOM 39 NE1 TRP A 3 -1.858 0.166 -5.668 1.00 33.41 N ATOM 40 CE2 TRP A 3 -0.523 0.224 -5.377 1.00 32.34 C ATOM 41 CE3 TRP A 3 0.968 -0.509 -3.625 1.00 70.03 C ATOM 42 CZ2 TRP A 3 0.524 0.802 -6.086 1.00 41.21 C ATOM 43 CZ3 TRP A 3 2.008 0.066 -4.332 1.00 44.50 C ATOM 44 CH2 TRP A 3 1.780 0.713 -5.551 1.00 42.03 C ATOM 0 H TRP A 3 -2.836 -2.819 -0.498 1.00 62.41 H new ATOM 0 HA TRP A 3 -3.739 -2.589 -3.069 1.00 1.32 H new ATOM 0 HB2 TRP A 3 -2.367 -0.956 -1.730 1.00 40.41 H new ATOM 0 HB3 TRP A 3 -0.951 -1.955 -1.991 1.00 40.41 H new ATOM 0 HD1 TRP A 3 -3.569 -0.690 -4.624 1.00 42.12 H new ATOM 0 HE1 TRP A 3 -2.301 0.557 -6.500 1.00 33.41 H new ATOM 0 HE3 TRP A 3 1.152 -1.009 -2.686 1.00 70.03 H new ATOM 0 HZ2 TRP A 3 0.352 1.304 -7.027 1.00 41.21 H new ATOM 0 HZ3 TRP A 3 3.012 0.015 -3.937 1.00 44.50 H new ATOM 0 HH2 TRP A 3 2.613 1.151 -6.081 1.00 42.03 H new ATOM 55 N MET A 4 -1.033 -4.505 -3.079 1.00 24.31 N ATOM 56 CA MET A 4 -0.325 -5.537 -3.852 1.00 44.14 C ATOM 57 C MET A 4 -1.268 -6.687 -4.251 1.00 1.34 C ATOM 58 O MET A 4 -1.379 -7.030 -5.423 1.00 72.14 O ATOM 59 CB MET A 4 0.860 -6.097 -3.048 1.00 30.30 C ATOM 60 CG MET A 4 1.892 -5.053 -2.642 1.00 13.52 C ATOM 61 SD MET A 4 1.214 -3.793 -1.540 1.00 63.14 S ATOM 62 CE MET A 4 2.673 -2.800 -1.222 1.00 54.10 C ATOM 0 H MET A 4 -0.608 -4.293 -2.176 1.00 24.31 H new ATOM 0 HA MET A 4 0.047 -5.065 -4.761 1.00 44.14 H new ATOM 0 HB2 MET A 4 0.478 -6.581 -2.149 1.00 30.30 H new ATOM 0 HB3 MET A 4 1.354 -6.868 -3.640 1.00 30.30 H new ATOM 0 HG2 MET A 4 2.729 -5.548 -2.150 1.00 13.52 H new ATOM 0 HG3 MET A 4 2.288 -4.572 -3.537 1.00 13.52 H new ATOM 0 HE1 MET A 4 2.415 -1.978 -0.554 1.00 54.10 H new ATOM 0 HE2 MET A 4 3.440 -3.419 -0.757 1.00 54.10 H new ATOM 0 HE3 MET A 4 3.052 -2.399 -2.162 1.00 54.10 H new ATOM 72 N GLN A 5 -1.950 -7.269 -3.262 1.00 0.30 N ATOM 73 CA GLN A 5 -2.888 -8.381 -3.494 1.00 63.43 C ATOM 74 C GLN A 5 -3.977 -8.028 -4.527 1.00 31.50 C ATOM 75 O GLN A 5 -4.227 -8.790 -5.465 1.00 43.04 O ATOM 76 CB GLN A 5 -3.558 -8.787 -2.174 1.00 11.04 C ATOM 77 CG GLN A 5 -2.592 -9.318 -1.120 1.00 53.43 C ATOM 78 CD GLN A 5 -3.273 -9.624 0.205 1.00 12.12 C ATOM 79 OE1 GLN A 5 -4.254 -8.987 0.575 1.00 53.24 O ATOM 80 NE2 GLN A 5 -2.760 -10.600 0.930 1.00 3.12 N ATOM 0 H GLN A 5 -1.872 -6.989 -2.284 1.00 0.30 H new ATOM 0 HA GLN A 5 -2.305 -9.210 -3.895 1.00 63.43 H new ATOM 0 HB2 GLN A 5 -4.084 -7.924 -1.766 1.00 11.04 H new ATOM 0 HB3 GLN A 5 -4.309 -9.550 -2.380 1.00 11.04 H new ATOM 0 HG2 GLN A 5 -2.114 -10.223 -1.495 1.00 53.43 H new ATOM 0 HG3 GLN A 5 -1.802 -8.585 -0.956 1.00 53.43 H new ATOM 0 HE21 GLN A 5 -1.943 -11.110 0.594 1.00 3.12 H new ATOM 0 HE22 GLN A 5 -3.180 -10.844 1.827 1.00 3.12 H new ATOM 89 N ASN A 6 -4.619 -6.875 -4.342 1.00 21.11 N ATOM 90 CA ASN A 6 -5.723 -6.437 -5.207 1.00 14.21 C ATOM 91 C ASN A 6 -5.310 -6.375 -6.682 1.00 0.11 C ATOM 92 O ASN A 6 -6.081 -6.760 -7.567 1.00 35.24 O ATOM 93 CB ASN A 6 -6.237 -5.066 -4.753 1.00 24.31 C ATOM 94 CG ASN A 6 -6.831 -5.105 -3.358 1.00 42.31 C ATOM 95 OD1 ASN A 6 -6.462 -5.934 -2.536 1.00 52.41 O ATOM 96 ND2 ASN A 6 -7.748 -4.206 -3.077 1.00 73.31 N ATOM 0 H ASN A 6 -4.393 -6.219 -3.594 1.00 21.11 H new ATOM 0 HA ASN A 6 -6.519 -7.176 -5.117 1.00 14.21 H new ATOM 0 HB2 ASN A 6 -5.417 -4.348 -4.776 1.00 24.31 H new ATOM 0 HB3 ASN A 6 -6.991 -4.712 -5.456 1.00 24.31 H new ATOM 0 HD21 ASN A 6 -8.175 -4.185 -2.151 1.00 73.31 H new ATOM 0 HD22 ASN A 6 -8.033 -3.529 -3.785 1.00 73.31 H new ATOM 103 N LEU A 7 -4.104 -5.879 -6.950 1.00 72.01 N ATOM 104 CA LEU A 7 -3.594 -5.827 -8.326 1.00 34.32 C ATOM 105 C LEU A 7 -2.776 -7.084 -8.679 1.00 0.23 C ATOM 106 O LEU A 7 -2.401 -7.279 -9.833 1.00 31.30 O ATOM 107 CB LEU A 7 -2.774 -4.543 -8.564 1.00 52.32 C ATOM 108 CG LEU A 7 -3.595 -3.233 -8.584 1.00 32.41 C ATOM 109 CD1 LEU A 7 -4.099 -2.867 -7.188 1.00 50.35 C ATOM 110 CD2 LEU A 7 -2.782 -2.089 -9.186 1.00 62.54 C ATOM 0 H LEU A 7 -3.465 -5.511 -6.245 1.00 72.01 H new ATOM 0 HA LEU A 7 -4.456 -5.805 -8.993 1.00 34.32 H new ATOM 0 HB2 LEU A 7 -2.015 -4.466 -7.785 1.00 52.32 H new ATOM 0 HB3 LEU A 7 -2.248 -4.638 -9.514 1.00 52.32 H new ATOM 0 HG LEU A 7 -4.467 -3.401 -9.216 1.00 32.41 H new ATOM 0 HD11 LEU A 7 -4.672 -1.941 -7.239 1.00 50.35 H new ATOM 0 HD12 LEU A 7 -4.735 -3.667 -6.810 1.00 50.35 H new ATOM 0 HD13 LEU A 7 -3.250 -2.731 -6.518 1.00 50.35 H new ATOM 0 HD21 LEU A 7 -3.382 -1.179 -9.189 1.00 62.54 H new ATOM 0 HD22 LEU A 7 -1.883 -1.929 -8.591 1.00 62.54 H new ATOM 0 HD23 LEU A 7 -2.501 -2.341 -10.208 1.00 62.54 H new ATOM 122 N LYS A 8 -2.515 -7.936 -7.681 1.00 15.00 N ATOM 123 CA LYS A 8 -1.865 -9.236 -7.912 1.00 71.35 C ATOM 124 C LYS A 8 -2.831 -10.202 -8.618 1.00 4.13 C ATOM 125 O LYS A 8 -2.410 -11.101 -9.351 1.00 65.34 O ATOM 126 CB LYS A 8 -1.353 -9.825 -6.581 1.00 40.41 C ATOM 127 CG LYS A 8 -0.614 -11.164 -6.709 1.00 33.11 C ATOM 128 CD LYS A 8 -1.513 -12.363 -6.395 1.00 52.14 C ATOM 129 CE LYS A 8 -1.956 -12.373 -4.932 1.00 34.20 C ATOM 130 NZ LYS A 8 -0.804 -12.496 -4.000 1.00 72.44 N ATOM 0 H LYS A 8 -2.743 -7.751 -6.704 1.00 15.00 H new ATOM 0 HA LYS A 8 -1.005 -9.088 -8.565 1.00 71.35 H new ATOM 0 HB2 LYS A 8 -0.685 -9.101 -6.113 1.00 40.41 H new ATOM 0 HB3 LYS A 8 -2.201 -9.957 -5.909 1.00 40.41 H new ATOM 0 HG2 LYS A 8 -0.222 -11.263 -7.721 1.00 33.11 H new ATOM 0 HG3 LYS A 8 0.242 -11.169 -6.034 1.00 33.11 H new ATOM 0 HD2 LYS A 8 -2.391 -12.338 -7.040 1.00 52.14 H new ATOM 0 HD3 LYS A 8 -0.979 -13.286 -6.619 1.00 52.14 H new ATOM 0 HE2 LYS A 8 -2.503 -11.456 -4.713 1.00 34.20 H new ATOM 0 HE3 LYS A 8 -2.645 -13.202 -4.768 1.00 34.20 H new ATOM 0 HZ1 LYS A 8 -0.991 -13.256 -3.315 1.00 72.44 H new ATOM 0 HZ2 LYS A 8 0.057 -12.720 -4.539 1.00 72.44 H new ATOM 0 HZ3 LYS A 8 -0.671 -11.598 -3.492 1.00 72.44 H new ATOM 144 N ASN A 9 -4.129 -10.028 -8.369 1.00 33.32 N ATOM 145 CA ASN A 9 -5.158 -10.680 -9.184 1.00 60.42 C ATOM 146 C ASN A 9 -5.170 -10.054 -10.592 1.00 71.32 C ATOM 147 O ASN A 9 -5.343 -8.842 -10.729 1.00 10.44 O ATOM 148 CB ASN A 9 -6.536 -10.542 -8.521 1.00 55.34 C ATOM 149 CG ASN A 9 -6.627 -11.301 -7.206 1.00 42.41 C ATOM 150 OD1 ASN A 9 -6.285 -10.784 -6.149 1.00 31.20 O ATOM 151 ND2 ASN A 9 -7.103 -12.531 -7.259 1.00 24.33 N ATOM 0 H ASN A 9 -4.493 -9.445 -7.615 1.00 33.32 H new ATOM 0 HA ASN A 9 -4.929 -11.742 -9.268 1.00 60.42 H new ATOM 0 HB2 ASN A 9 -6.747 -9.487 -8.344 1.00 55.34 H new ATOM 0 HB3 ASN A 9 -7.303 -10.910 -9.203 1.00 55.34 H new ATOM 0 HD21 ASN A 9 -7.195 -13.080 -6.404 1.00 24.33 H new ATOM 0 HD22 ASN A 9 -7.379 -12.933 -8.155 1.00 24.33 H new ATOM 158 N TYR A 10 -4.988 -10.881 -11.628 1.00 65.03 N ATOM 159 CA TYR A 10 -4.796 -10.392 -13.009 1.00 12.41 C ATOM 160 C TYR A 10 -5.839 -9.345 -13.433 1.00 73.53 C ATOM 161 O TYR A 10 -7.017 -9.434 -13.085 1.00 4.23 O ATOM 162 CB TYR A 10 -4.805 -11.563 -13.998 1.00 3.44 C ATOM 163 CG TYR A 10 -3.709 -12.580 -13.741 1.00 33.00 C ATOM 164 CD1 TYR A 10 -2.386 -12.318 -14.094 1.00 22.31 C ATOM 165 CD2 TYR A 10 -3.997 -13.802 -13.142 1.00 1.00 C ATOM 166 CE1 TYR A 10 -1.390 -13.248 -13.856 1.00 2.25 C ATOM 167 CE2 TYR A 10 -3.008 -14.731 -12.904 1.00 12.53 C ATOM 168 CZ TYR A 10 -1.709 -14.452 -13.260 1.00 1.13 C ATOM 169 OH TYR A 10 -0.729 -15.384 -13.019 1.00 54.31 O ATOM 0 H TYR A 10 -4.969 -11.897 -11.541 1.00 65.03 H new ATOM 0 HA TYR A 10 -3.824 -9.898 -13.025 1.00 12.41 H new ATOM 0 HB2 TYR A 10 -5.772 -12.063 -13.948 1.00 3.44 H new ATOM 0 HB3 TYR A 10 -4.699 -11.174 -15.011 1.00 3.44 H new ATOM 0 HD1 TYR A 10 -2.135 -11.376 -14.560 1.00 22.31 H new ATOM 0 HD2 TYR A 10 -5.015 -14.027 -12.858 1.00 1.00 H new ATOM 0 HE1 TYR A 10 -0.369 -13.034 -14.135 1.00 2.25 H new ATOM 0 HE2 TYR A 10 -3.252 -15.675 -12.440 1.00 12.53 H new ATOM 0 HH TYR A 10 0.152 -14.973 -13.146 1.00 54.31 H new ATOM 179 N GLN A 11 -5.384 -8.364 -14.209 1.00 34.51 N ATOM 180 CA GLN A 11 -6.221 -7.237 -14.635 1.00 13.34 C ATOM 181 C GLN A 11 -6.281 -7.117 -16.178 1.00 34.41 C ATOM 182 O GLN A 11 -6.583 -8.091 -16.867 1.00 14.14 O ATOM 183 CB GLN A 11 -5.704 -5.934 -13.975 1.00 42.14 C ATOM 184 CG GLN A 11 -4.240 -5.980 -13.509 1.00 52.54 C ATOM 185 CD GLN A 11 -3.218 -6.078 -14.640 1.00 0.00 C ATOM 186 OE1 GLN A 11 -3.486 -6.615 -15.708 1.00 51.42 O ATOM 187 NE2 GLN A 11 -2.024 -5.580 -14.402 1.00 10.22 N ATOM 0 H GLN A 11 -4.428 -8.325 -14.561 1.00 34.51 H new ATOM 0 HA GLN A 11 -7.244 -7.415 -14.304 1.00 13.34 H new ATOM 0 HB2 GLN A 11 -5.818 -5.115 -14.685 1.00 42.14 H new ATOM 0 HB3 GLN A 11 -6.336 -5.703 -13.117 1.00 42.14 H new ATOM 0 HG2 GLN A 11 -4.030 -5.085 -12.923 1.00 52.54 H new ATOM 0 HG3 GLN A 11 -4.110 -6.834 -12.844 1.00 52.54 H new ATOM 0 HE21 GLN A 11 -1.826 -5.138 -13.505 1.00 10.22 H new ATOM 0 HE22 GLN A 11 -1.297 -5.636 -15.115 1.00 10.22 H new ATOM 196 N HIS A 12 -5.965 -5.933 -16.718 1.00 50.52 N ATOM 197 CA HIS A 12 -6.068 -5.677 -18.165 1.00 11.14 C ATOM 198 C HIS A 12 -4.832 -6.197 -18.940 1.00 34.14 C ATOM 199 O HIS A 12 -4.554 -5.749 -20.052 1.00 53.02 O ATOM 200 CB HIS A 12 -6.257 -4.167 -18.399 1.00 23.33 C ATOM 201 CG HIS A 12 -6.521 -3.796 -19.830 1.00 63.32 C ATOM 202 ND1 HIS A 12 -5.655 -3.034 -20.583 1.00 32.14 N ATOM 203 CD2 HIS A 12 -7.558 -4.094 -20.647 1.00 53.24 C ATOM 204 CE1 HIS A 12 -6.145 -2.880 -21.794 1.00 33.51 C ATOM 205 NE2 HIS A 12 -7.296 -3.514 -21.862 1.00 62.34 N ATOM 0 H HIS A 12 -5.635 -5.135 -16.176 1.00 50.52 H new ATOM 0 HA HIS A 12 -6.931 -6.223 -18.547 1.00 11.14 H new ATOM 0 HB2 HIS A 12 -7.087 -3.816 -17.785 1.00 23.33 H new ATOM 0 HB3 HIS A 12 -5.364 -3.643 -18.058 1.00 23.33 H new ATOM 0 HD2 HIS A 12 -8.429 -4.679 -20.390 1.00 53.24 H new ATOM 0 HE1 HIS A 12 -5.681 -2.327 -22.597 1.00 33.51 H new ATOM 0 HE2 HIS A 12 -7.896 -3.566 -22.685 1.00 62.34 H new ATOM 214 N LEU A 13 -4.104 -7.149 -18.349 1.00 14.30 N ATOM 215 CA LEU A 13 -2.923 -7.763 -18.990 1.00 63.44 C ATOM 216 C LEU A 13 -1.790 -6.744 -19.229 1.00 71.00 C ATOM 217 O LEU A 13 -0.863 -6.994 -20.003 1.00 74.43 O ATOM 218 CB LEU A 13 -3.307 -8.446 -20.320 1.00 11.23 C ATOM 219 CG LEU A 13 -4.094 -9.767 -20.201 1.00 23.22 C ATOM 220 CD1 LEU A 13 -5.474 -9.549 -19.582 1.00 43.53 C ATOM 221 CD2 LEU A 13 -4.217 -10.439 -21.565 1.00 14.14 C ATOM 0 H LEU A 13 -4.309 -7.518 -17.420 1.00 14.30 H new ATOM 0 HA LEU A 13 -2.550 -8.517 -18.297 1.00 63.44 H new ATOM 0 HB2 LEU A 13 -3.900 -7.745 -20.907 1.00 11.23 H new ATOM 0 HB3 LEU A 13 -2.394 -8.640 -20.882 1.00 11.23 H new ATOM 0 HG LEU A 13 -3.537 -10.425 -19.534 1.00 23.22 H new ATOM 0 HD11 LEU A 13 -5.998 -10.503 -19.515 1.00 43.53 H new ATOM 0 HD12 LEU A 13 -5.362 -9.125 -18.584 1.00 43.53 H new ATOM 0 HD13 LEU A 13 -6.048 -8.863 -20.205 1.00 43.53 H new ATOM 0 HD21 LEU A 13 -4.775 -11.370 -21.463 1.00 14.14 H new ATOM 0 HD22 LEU A 13 -4.742 -9.775 -22.252 1.00 14.14 H new ATOM 0 HD23 LEU A 13 -3.222 -10.653 -21.956 1.00 14.14 H new ATOM 233 N ARG A 14 -1.863 -5.605 -18.545 1.00 20.33 N ATOM 234 CA ARG A 14 -0.843 -4.558 -18.656 1.00 33.40 C ATOM 235 C ARG A 14 0.114 -4.603 -17.455 1.00 72.45 C ATOM 236 O ARG A 14 -0.318 -4.490 -16.305 1.00 72.13 O ATOM 237 CB ARG A 14 -1.513 -3.176 -18.738 1.00 53.53 C ATOM 238 CG ARG A 14 -0.545 -1.994 -18.887 1.00 30.32 C ATOM 239 CD ARG A 14 -0.019 -1.823 -20.317 1.00 3.41 C ATOM 240 NE ARG A 14 0.962 -2.838 -20.700 1.00 64.24 N ATOM 241 CZ ARG A 14 1.462 -2.961 -21.902 1.00 63.31 C ATOM 242 NH1 ARG A 14 1.111 -2.151 -22.851 1.00 14.23 N ATOM 243 NH2 ARG A 14 2.334 -3.885 -22.143 1.00 30.11 N ATOM 0 H ARG A 14 -2.623 -5.380 -17.903 1.00 20.33 H new ATOM 0 HA ARG A 14 -0.268 -4.733 -19.565 1.00 33.40 H new ATOM 0 HB2 ARG A 14 -2.201 -3.172 -19.584 1.00 53.53 H new ATOM 0 HB3 ARG A 14 -2.112 -3.025 -17.840 1.00 53.53 H new ATOM 0 HG2 ARG A 14 -1.050 -1.078 -18.580 1.00 30.32 H new ATOM 0 HG3 ARG A 14 0.298 -2.135 -18.211 1.00 30.32 H new ATOM 0 HD2 ARG A 14 -0.858 -1.859 -21.012 1.00 3.41 H new ATOM 0 HD3 ARG A 14 0.433 -0.836 -20.414 1.00 3.41 H new ATOM 0 HE ARG A 14 1.276 -3.492 -19.983 1.00 64.24 H new ATOM 0 HH11 ARG A 14 0.438 -1.408 -22.664 1.00 14.23 H new ATOM 0 HH12 ARG A 14 1.508 -2.257 -23.785 1.00 14.23 H new ATOM 0 HH21 ARG A 14 2.629 -4.515 -21.397 1.00 30.11 H new ATOM 0 HH22 ARG A 14 2.726 -3.984 -23.079 1.00 30.11 H new ATOM 257 N ASP A 15 1.402 -4.790 -17.738 1.00 25.34 N ATOM 258 CA ASP A 15 2.463 -4.772 -16.720 1.00 51.30 C ATOM 259 C ASP A 15 2.268 -3.648 -15.680 1.00 1.22 C ATOM 260 O ASP A 15 2.332 -2.461 -16.004 1.00 31.42 O ATOM 261 CB ASP A 15 3.824 -4.624 -17.408 1.00 51.12 C ATOM 262 CG ASP A 15 3.851 -3.469 -18.395 1.00 71.34 C ATOM 263 OD1 ASP A 15 3.263 -3.611 -19.488 1.00 0.22 O ATOM 264 OD2 ASP A 15 4.451 -2.418 -18.088 1.00 51.51 O ATOM 0 H ASP A 15 1.746 -4.959 -18.683 1.00 25.34 H new ATOM 0 HA ASP A 15 2.416 -5.716 -16.177 1.00 51.30 H new ATOM 0 HB2 ASP A 15 4.595 -4.471 -16.653 1.00 51.12 H new ATOM 0 HB3 ASP A 15 4.067 -5.550 -17.929 1.00 51.12 H new ATOM 269 N PRO A 16 1.989 -4.016 -14.418 1.00 40.21 N ATOM 270 CA PRO A 16 1.800 -3.064 -13.331 1.00 34.22 C ATOM 271 C PRO A 16 3.068 -2.824 -12.478 1.00 13.11 C ATOM 272 O PRO A 16 3.816 -3.763 -12.144 1.00 50.21 O ATOM 273 CB PRO A 16 0.704 -3.747 -12.504 1.00 20.10 C ATOM 274 CG PRO A 16 0.831 -5.220 -12.784 1.00 51.20 C ATOM 275 CD PRO A 16 1.788 -5.390 -13.947 1.00 23.21 C ATOM 0 HA PRO A 16 1.552 -2.067 -13.695 1.00 34.22 H new ATOM 0 HB2 PRO A 16 0.830 -3.539 -11.441 1.00 20.10 H new ATOM 0 HB3 PRO A 16 -0.283 -3.380 -12.785 1.00 20.10 H new ATOM 0 HG2 PRO A 16 1.202 -5.745 -11.904 1.00 51.20 H new ATOM 0 HG3 PRO A 16 -0.142 -5.648 -13.024 1.00 51.20 H new ATOM 0 HD2 PRO A 16 2.725 -5.850 -13.633 1.00 23.21 H new ATOM 0 HD3 PRO A 16 1.366 -6.025 -14.726 1.00 23.21 H new ATOM 283 N SER A 17 3.294 -1.558 -12.110 1.00 33.42 N ATOM 284 CA SER A 17 4.418 -1.185 -11.231 1.00 30.33 C ATOM 285 C SER A 17 4.414 -2.016 -9.942 1.00 34.12 C ATOM 286 O SER A 17 5.456 -2.261 -9.334 1.00 50.42 O ATOM 287 CB SER A 17 4.352 0.309 -10.879 1.00 32.14 C ATOM 288 OG SER A 17 5.425 0.696 -10.029 1.00 32.01 O ATOM 0 H SER A 17 2.716 -0.771 -12.405 1.00 33.42 H new ATOM 0 HA SER A 17 5.342 -1.388 -11.773 1.00 30.33 H new ATOM 0 HB2 SER A 17 4.381 0.900 -11.794 1.00 32.14 H new ATOM 0 HB3 SER A 17 3.403 0.526 -10.389 1.00 32.14 H new ATOM 0 HG SER A 17 5.353 1.652 -9.826 1.00 32.01 H new ATOM 294 N GLU A 18 3.229 -2.465 -9.553 1.00 21.24 N ATOM 295 CA GLU A 18 3.059 -3.308 -8.373 1.00 31.44 C ATOM 296 C GLU A 18 3.841 -4.621 -8.528 1.00 43.20 C ATOM 297 O GLU A 18 4.492 -5.077 -7.593 1.00 63.13 O ATOM 298 CB GLU A 18 1.567 -3.602 -8.134 1.00 75.21 C ATOM 299 CG GLU A 18 0.708 -2.359 -7.885 1.00 34.42 C ATOM 300 CD GLU A 18 0.689 -1.394 -9.065 1.00 4.44 C ATOM 301 OE1 GLU A 18 0.300 -1.813 -10.171 1.00 24.02 O ATOM 302 OE2 GLU A 18 1.100 -0.228 -8.906 1.00 43.11 O ATOM 0 H GLU A 18 2.359 -2.257 -10.043 1.00 21.24 H new ATOM 0 HA GLU A 18 3.453 -2.772 -7.510 1.00 31.44 H new ATOM 0 HB2 GLU A 18 1.171 -4.135 -8.999 1.00 75.21 H new ATOM 0 HB3 GLU A 18 1.474 -4.270 -7.278 1.00 75.21 H new ATOM 0 HG2 GLU A 18 -0.313 -2.670 -7.662 1.00 34.42 H new ATOM 0 HG3 GLU A 18 1.082 -1.838 -7.004 1.00 34.42 H new ATOM 309 N TYR A 19 3.794 -5.210 -9.726 1.00 75.10 N ATOM 310 CA TYR A 19 4.538 -6.445 -10.010 1.00 13.15 C ATOM 311 C TYR A 19 6.054 -6.199 -10.013 1.00 11.12 C ATOM 312 O TYR A 19 6.816 -6.976 -9.432 1.00 32.41 O ATOM 313 CB TYR A 19 4.103 -7.052 -11.356 1.00 11.52 C ATOM 314 CG TYR A 19 2.745 -7.746 -11.332 1.00 14.43 C ATOM 315 CD1 TYR A 19 1.810 -7.483 -10.334 1.00 21.23 C ATOM 316 CD2 TYR A 19 2.400 -8.664 -12.323 1.00 3.13 C ATOM 317 CE1 TYR A 19 0.578 -8.109 -10.327 1.00 74.21 C ATOM 318 CE2 TYR A 19 1.170 -9.293 -12.318 1.00 13.13 C ATOM 319 CZ TYR A 19 0.264 -9.014 -11.320 1.00 11.22 C ATOM 320 OH TYR A 19 -0.963 -9.638 -11.317 1.00 43.21 O ATOM 0 H TYR A 19 3.252 -4.855 -10.513 1.00 75.10 H new ATOM 0 HA TYR A 19 4.307 -7.152 -9.213 1.00 13.15 H new ATOM 0 HB2 TYR A 19 4.078 -6.261 -12.105 1.00 11.52 H new ATOM 0 HB3 TYR A 19 4.858 -7.771 -11.676 1.00 11.52 H new ATOM 0 HD1 TYR A 19 2.052 -6.778 -9.552 1.00 21.23 H new ATOM 0 HD2 TYR A 19 3.107 -8.887 -13.108 1.00 3.13 H new ATOM 0 HE1 TYR A 19 -0.136 -7.891 -9.547 1.00 74.21 H new ATOM 0 HE2 TYR A 19 0.920 -10.001 -13.094 1.00 13.13 H new ATOM 0 HH TYR A 19 -1.067 -10.151 -10.488 1.00 43.21 H new ATOM 330 N MET A 20 6.499 -5.113 -10.658 1.00 33.54 N ATOM 331 CA MET A 20 7.945 -4.810 -10.697 1.00 4.54 C ATOM 332 C MET A 20 8.486 -4.454 -9.296 1.00 64.43 C ATOM 333 O MET A 20 9.681 -4.581 -9.030 1.00 42.14 O ATOM 334 CB MET A 20 8.264 -3.683 -11.693 1.00 54.11 C ATOM 335 CG MET A 20 7.784 -2.305 -11.268 1.00 55.33 C ATOM 336 SD MET A 20 8.290 -1.010 -12.417 1.00 62.11 S ATOM 337 CE MET A 20 10.074 -1.189 -12.357 1.00 73.01 C ATOM 0 H MET A 20 5.904 -4.445 -11.148 1.00 33.54 H new ATOM 0 HA MET A 20 8.447 -5.715 -11.039 1.00 4.54 H new ATOM 0 HB2 MET A 20 9.343 -3.646 -11.846 1.00 54.11 H new ATOM 0 HB3 MET A 20 7.814 -3.929 -12.655 1.00 54.11 H new ATOM 0 HG2 MET A 20 6.697 -2.311 -11.189 1.00 55.33 H new ATOM 0 HG3 MET A 20 8.174 -2.078 -10.276 1.00 55.33 H new ATOM 0 HE1 MET A 20 10.543 -0.292 -12.761 1.00 73.01 H new ATOM 0 HE2 MET A 20 10.391 -1.330 -11.324 1.00 73.01 H new ATOM 0 HE3 MET A 20 10.373 -2.054 -12.950 1.00 73.01 H new ATOM 347 N SER A 21 7.601 -3.989 -8.414 1.00 53.34 N ATOM 348 CA SER A 21 7.954 -3.751 -7.004 1.00 3.50 C ATOM 349 C SER A 21 7.778 -5.029 -6.170 1.00 33.14 C ATOM 350 O SER A 21 8.439 -5.213 -5.150 1.00 1.33 O ATOM 351 CB SER A 21 7.092 -2.624 -6.410 1.00 40.22 C ATOM 352 OG SER A 21 7.374 -2.415 -5.031 1.00 70.13 O ATOM 0 H SER A 21 6.633 -3.768 -8.646 1.00 53.34 H new ATOM 0 HA SER A 21 9.002 -3.452 -6.972 1.00 3.50 H new ATOM 0 HB2 SER A 21 7.270 -1.701 -6.962 1.00 40.22 H new ATOM 0 HB3 SER A 21 6.037 -2.870 -6.532 1.00 40.22 H new ATOM 0 HG SER A 21 6.809 -1.691 -4.688 1.00 70.13 H new ATOM 358 N GLN A 22 6.879 -5.901 -6.624 1.00 23.23 N ATOM 359 CA GLN A 22 6.586 -7.173 -5.951 1.00 42.03 C ATOM 360 C GLN A 22 7.815 -8.097 -5.912 1.00 32.50 C ATOM 361 O GLN A 22 8.127 -8.695 -4.878 1.00 42.32 O ATOM 362 CB GLN A 22 5.436 -7.878 -6.686 1.00 60.45 C ATOM 363 CG GLN A 22 4.958 -9.164 -6.027 1.00 52.43 C ATOM 364 CD GLN A 22 4.271 -8.921 -4.696 1.00 45.42 C ATOM 365 OE1 GLN A 22 3.059 -8.744 -4.629 1.00 11.22 O ATOM 366 NE2 GLN A 22 5.039 -8.906 -3.630 1.00 25.24 N ATOM 0 H GLN A 22 6.330 -5.748 -7.470 1.00 23.23 H new ATOM 0 HA GLN A 22 6.304 -6.954 -4.921 1.00 42.03 H new ATOM 0 HB2 GLN A 22 4.594 -7.189 -6.762 1.00 60.45 H new ATOM 0 HB3 GLN A 22 5.756 -8.104 -7.703 1.00 60.45 H new ATOM 0 HG2 GLN A 22 4.269 -9.677 -6.698 1.00 52.43 H new ATOM 0 HG3 GLN A 22 5.809 -9.828 -5.876 1.00 52.43 H new ATOM 0 HE21 GLN A 22 6.043 -9.057 -3.723 1.00 25.24 H new ATOM 0 HE22 GLN A 22 4.631 -8.743 -2.710 1.00 25.24 H new ATOM 375 N VAL A 23 8.496 -8.219 -7.051 1.00 13.32 N ATOM 376 CA VAL A 23 9.665 -9.100 -7.173 1.00 10.42 C ATOM 377 C VAL A 23 10.948 -8.302 -7.474 1.00 51.15 C ATOM 378 O VAL A 23 10.969 -7.444 -8.354 1.00 23.21 O ATOM 379 CB VAL A 23 9.431 -10.162 -8.279 1.00 44.11 C ATOM 380 CG1 VAL A 23 10.660 -11.049 -8.462 1.00 4.33 C ATOM 381 CG2 VAL A 23 8.196 -11.006 -7.957 1.00 14.12 C ATOM 0 H VAL A 23 8.260 -7.718 -7.908 1.00 13.32 H new ATOM 0 HA VAL A 23 9.797 -9.603 -6.215 1.00 10.42 H new ATOM 0 HB VAL A 23 9.257 -9.638 -9.219 1.00 44.11 H new ATOM 0 HG11 VAL A 23 10.466 -11.783 -9.244 1.00 4.33 H new ATOM 0 HG12 VAL A 23 11.514 -10.434 -8.746 1.00 4.33 H new ATOM 0 HG13 VAL A 23 10.879 -11.564 -7.527 1.00 4.33 H new ATOM 0 HG21 VAL A 23 8.046 -11.746 -8.743 1.00 14.12 H new ATOM 0 HG22 VAL A 23 8.341 -11.514 -7.003 1.00 14.12 H new ATOM 0 HG23 VAL A 23 7.320 -10.360 -7.895 1.00 14.12 H new ATOM 391 N TYR A 24 12.018 -8.603 -6.735 1.00 53.31 N ATOM 392 CA TYR A 24 13.290 -7.866 -6.856 1.00 4.11 C ATOM 393 C TYR A 24 14.135 -8.347 -8.052 1.00 40.43 C ATOM 394 O TYR A 24 15.093 -7.683 -8.458 1.00 0.24 O ATOM 395 CB TYR A 24 14.090 -8.012 -5.551 1.00 60.15 C ATOM 396 CG TYR A 24 15.310 -7.112 -5.454 1.00 21.30 C ATOM 397 CD1 TYR A 24 15.181 -5.770 -5.108 1.00 22.11 C ATOM 398 CD2 TYR A 24 16.590 -7.605 -5.693 1.00 15.11 C ATOM 399 CE1 TYR A 24 16.286 -4.951 -5.003 1.00 34.12 C ATOM 400 CE2 TYR A 24 17.699 -6.789 -5.591 1.00 2.05 C ATOM 401 CZ TYR A 24 17.542 -5.464 -5.246 1.00 63.14 C ATOM 402 OH TYR A 24 18.647 -4.648 -5.139 1.00 11.13 O ATOM 0 H TYR A 24 12.035 -9.353 -6.043 1.00 53.31 H new ATOM 0 HA TYR A 24 13.052 -6.818 -7.035 1.00 4.11 H new ATOM 0 HB2 TYR A 24 13.430 -7.800 -4.710 1.00 60.15 H new ATOM 0 HB3 TYR A 24 14.411 -9.049 -5.451 1.00 60.15 H new ATOM 0 HD1 TYR A 24 14.199 -5.363 -4.918 1.00 22.11 H new ATOM 0 HD2 TYR A 24 16.717 -8.643 -5.963 1.00 15.11 H new ATOM 0 HE1 TYR A 24 16.168 -3.912 -4.732 1.00 34.12 H new ATOM 0 HE2 TYR A 24 18.685 -7.187 -5.781 1.00 2.05 H new ATOM 0 HH TYR A 24 19.455 -5.164 -5.341 1.00 11.13 H new ATOM 412 N GLY A 25 13.775 -9.496 -8.614 1.00 11.54 N ATOM 413 CA GLY A 25 14.535 -10.070 -9.721 1.00 74.24 C ATOM 414 C GLY A 25 14.399 -9.285 -11.018 1.00 13.42 C ATOM 415 O GLY A 25 13.558 -9.604 -11.858 1.00 4.21 O ATOM 0 H GLY A 25 12.967 -10.046 -8.324 1.00 11.54 H new ATOM 0 HA2 GLY A 25 15.588 -10.118 -9.443 1.00 74.24 H new ATOM 0 HA3 GLY A 25 14.202 -11.094 -9.888 1.00 74.24 H new ATOM 419 N ASP A 26 15.237 -8.260 -11.172 1.00 63.13 N ATOM 420 CA ASP A 26 15.211 -7.393 -12.353 1.00 73.00 C ATOM 421 C ASP A 26 13.817 -6.774 -12.568 1.00 62.32 C ATOM 422 O ASP A 26 13.044 -7.238 -13.407 1.00 2.51 O ATOM 423 CB ASP A 26 15.655 -8.166 -13.603 1.00 75.55 C ATOM 424 CG ASP A 26 17.089 -8.643 -13.507 1.00 72.11 C ATOM 425 OD1 ASP A 26 18.002 -7.811 -13.705 1.00 22.33 O ATOM 426 OD2 ASP A 26 17.315 -9.841 -13.244 1.00 3.01 O ATOM 0 H ASP A 26 15.949 -8.007 -10.487 1.00 63.13 H new ATOM 0 HA ASP A 26 15.914 -6.578 -12.179 1.00 73.00 H new ATOM 0 HB2 ASP A 26 14.999 -9.024 -13.749 1.00 75.55 H new ATOM 0 HB3 ASP A 26 15.545 -7.528 -14.480 1.00 75.55 H new ATOM 431 N PRO A 27 13.484 -5.710 -11.805 1.00 54.21 N ATOM 432 CA PRO A 27 12.148 -5.082 -11.833 1.00 63.24 C ATOM 433 C PRO A 27 11.584 -4.868 -13.253 1.00 3.11 C ATOM 434 O PRO A 27 10.443 -5.230 -13.537 1.00 14.25 O ATOM 435 CB PRO A 27 12.392 -3.737 -11.138 1.00 52.21 C ATOM 436 CG PRO A 27 13.498 -4.015 -10.175 1.00 5.34 C ATOM 437 CD PRO A 27 14.385 -5.037 -10.844 1.00 11.32 C ATOM 0 HA PRO A 27 11.401 -5.714 -11.353 1.00 63.24 H new ATOM 0 HB2 PRO A 27 12.673 -2.964 -11.854 1.00 52.21 H new ATOM 0 HB3 PRO A 27 11.497 -3.386 -10.625 1.00 52.21 H new ATOM 0 HG2 PRO A 27 14.054 -3.106 -9.946 1.00 5.34 H new ATOM 0 HG3 PRO A 27 13.107 -4.396 -9.231 1.00 5.34 H new ATOM 0 HD2 PRO A 27 15.228 -4.566 -11.349 1.00 11.32 H new ATOM 0 HD3 PRO A 27 14.799 -5.742 -10.122 1.00 11.32 H new ATOM 445 N LEU A 28 12.392 -4.290 -14.142 1.00 34.12 N ATOM 446 CA LEU A 28 11.955 -4.000 -15.515 1.00 14.05 C ATOM 447 C LEU A 28 11.786 -5.284 -16.345 1.00 51.20 C ATOM 448 O LEU A 28 10.872 -5.388 -17.162 1.00 40.11 O ATOM 449 CB LEU A 28 12.942 -3.044 -16.213 1.00 41.14 C ATOM 450 CG LEU A 28 12.937 -1.586 -15.714 1.00 60.01 C ATOM 451 CD1 LEU A 28 11.534 -0.987 -15.811 1.00 73.25 C ATOM 452 CD2 LEU A 28 13.473 -1.484 -14.286 1.00 74.13 C ATOM 0 H LEU A 28 13.352 -4.012 -13.940 1.00 34.12 H new ATOM 0 HA LEU A 28 10.981 -3.516 -15.446 1.00 14.05 H new ATOM 0 HB2 LEU A 28 13.949 -3.444 -16.095 1.00 41.14 H new ATOM 0 HB3 LEU A 28 12.722 -3.043 -17.281 1.00 41.14 H new ATOM 0 HG LEU A 28 13.602 -1.011 -16.359 1.00 60.01 H new ATOM 0 HD11 LEU A 28 11.552 0.043 -15.454 1.00 73.25 H new ATOM 0 HD12 LEU A 28 11.202 -1.005 -16.849 1.00 73.25 H new ATOM 0 HD13 LEU A 28 10.846 -1.571 -15.199 1.00 73.25 H new ATOM 0 HD21 LEU A 28 13.456 -0.443 -13.965 1.00 74.13 H new ATOM 0 HD22 LEU A 28 12.849 -2.080 -13.620 1.00 74.13 H new ATOM 0 HD23 LEU A 28 14.497 -1.857 -14.254 1.00 74.13 H new ATOM 464 N ALA A 29 12.663 -6.259 -16.129 1.00 71.14 N ATOM 465 CA ALA A 29 12.592 -7.533 -16.855 1.00 31.31 C ATOM 466 C ALA A 29 11.369 -8.354 -16.432 1.00 73.22 C ATOM 467 O ALA A 29 10.608 -8.830 -17.274 1.00 15.33 O ATOM 468 CB ALA A 29 13.862 -8.336 -16.638 1.00 42.22 C ATOM 0 H ALA A 29 13.431 -6.197 -15.460 1.00 71.14 H new ATOM 0 HA ALA A 29 12.491 -7.304 -17.916 1.00 31.31 H new ATOM 0 HB1 ALA A 29 13.794 -9.278 -17.182 1.00 42.22 H new ATOM 0 HB2 ALA A 29 14.718 -7.768 -17.001 1.00 42.22 H new ATOM 0 HB3 ALA A 29 13.986 -8.540 -15.574 1.00 42.22 H new ATOM 474 N TYR A 30 11.190 -8.520 -15.122 1.00 35.15 N ATOM 475 CA TYR A 30 10.016 -9.213 -14.581 1.00 53.35 C ATOM 476 C TYR A 30 8.724 -8.511 -15.033 1.00 51.21 C ATOM 477 O TYR A 30 7.745 -9.156 -15.407 1.00 30.43 O ATOM 478 CB TYR A 30 10.093 -9.264 -13.048 1.00 23.10 C ATOM 479 CG TYR A 30 9.027 -10.134 -12.407 1.00 55.52 C ATOM 480 CD1 TYR A 30 9.184 -11.514 -12.337 1.00 55.05 C ATOM 481 CD2 TYR A 30 7.869 -9.578 -11.871 1.00 51.35 C ATOM 482 CE1 TYR A 30 8.225 -12.314 -11.751 1.00 32.35 C ATOM 483 CE2 TYR A 30 6.903 -10.375 -11.284 1.00 73.13 C ATOM 484 CZ TYR A 30 7.086 -11.743 -11.228 1.00 45.20 C ATOM 485 OH TYR A 30 6.129 -12.541 -10.640 1.00 44.35 O ATOM 0 H TYR A 30 11.842 -8.185 -14.413 1.00 35.15 H new ATOM 0 HA TYR A 30 10.004 -10.234 -14.963 1.00 53.35 H new ATOM 0 HB2 TYR A 30 11.075 -9.635 -12.756 1.00 23.10 H new ATOM 0 HB3 TYR A 30 10.005 -8.251 -12.656 1.00 23.10 H new ATOM 0 HD1 TYR A 30 10.073 -11.968 -12.749 1.00 55.05 H new ATOM 0 HD2 TYR A 30 7.723 -8.509 -11.914 1.00 51.35 H new ATOM 0 HE1 TYR A 30 8.367 -13.384 -11.703 1.00 32.35 H new ATOM 0 HE2 TYR A 30 6.010 -9.930 -10.871 1.00 73.13 H new ATOM 0 HH TYR A 30 5.389 -11.983 -10.321 1.00 44.35 H new ATOM 495 N LEU A 31 8.742 -7.180 -15.001 1.00 42.00 N ATOM 496 CA LEU A 31 7.632 -6.364 -15.510 1.00 31.41 C ATOM 497 C LEU A 31 7.337 -6.712 -16.984 1.00 12.24 C ATOM 498 O LEU A 31 6.198 -7.018 -17.359 1.00 54.51 O ATOM 499 CB LEU A 31 7.999 -4.875 -15.376 1.00 24.04 C ATOM 500 CG LEU A 31 6.856 -3.875 -15.606 1.00 35.12 C ATOM 501 CD1 LEU A 31 5.776 -4.038 -14.541 1.00 53.33 C ATOM 502 CD2 LEU A 31 7.386 -2.442 -15.623 1.00 21.43 C ATOM 0 H LEU A 31 9.519 -6.636 -14.625 1.00 42.00 H new ATOM 0 HA LEU A 31 6.735 -6.572 -14.927 1.00 31.41 H new ATOM 0 HB2 LEU A 31 8.404 -4.710 -14.378 1.00 24.04 H new ATOM 0 HB3 LEU A 31 8.797 -4.653 -16.084 1.00 24.04 H new ATOM 0 HG LEU A 31 6.411 -4.084 -16.579 1.00 35.12 H new ATOM 0 HD11 LEU A 31 4.976 -3.321 -14.722 1.00 53.33 H new ATOM 0 HD12 LEU A 31 5.373 -5.050 -14.583 1.00 53.33 H new ATOM 0 HD13 LEU A 31 6.207 -3.860 -13.556 1.00 53.33 H new ATOM 0 HD21 LEU A 31 6.560 -1.750 -15.787 1.00 21.43 H new ATOM 0 HD22 LEU A 31 7.862 -2.219 -14.668 1.00 21.43 H new ATOM 0 HD23 LEU A 31 8.115 -2.333 -16.426 1.00 21.43 H new ATOM 514 N GLN A 32 8.389 -6.688 -17.801 1.00 43.24 N ATOM 515 CA GLN A 32 8.304 -7.054 -19.219 1.00 73.23 C ATOM 516 C GLN A 32 7.713 -8.466 -19.402 1.00 60.31 C ATOM 517 O GLN A 32 6.865 -8.692 -20.269 1.00 72.11 O ATOM 518 CB GLN A 32 9.711 -6.981 -19.836 1.00 33.32 C ATOM 519 CG GLN A 32 9.785 -7.330 -21.319 1.00 51.41 C ATOM 520 CD GLN A 32 9.087 -6.324 -22.219 1.00 34.24 C ATOM 521 OE1 GLN A 32 8.990 -5.143 -21.898 1.00 71.10 O ATOM 522 NE2 GLN A 32 8.619 -6.779 -23.362 1.00 32.21 N ATOM 0 H GLN A 32 9.325 -6.415 -17.501 1.00 43.24 H new ATOM 0 HA GLN A 32 7.638 -6.354 -19.724 1.00 73.23 H new ATOM 0 HB2 GLN A 32 10.101 -5.973 -19.696 1.00 33.32 H new ATOM 0 HB3 GLN A 32 10.367 -7.656 -19.286 1.00 33.32 H new ATOM 0 HG2 GLN A 32 10.832 -7.403 -21.614 1.00 51.41 H new ATOM 0 HG3 GLN A 32 9.340 -8.313 -21.474 1.00 51.41 H new ATOM 0 HE21 GLN A 32 8.717 -7.767 -23.596 1.00 32.21 H new ATOM 0 HE22 GLN A 32 8.158 -6.144 -24.014 1.00 32.21 H new ATOM 531 N GLU A 33 8.159 -9.411 -18.573 1.00 53.21 N ATOM 532 CA GLU A 33 7.666 -10.792 -18.645 1.00 13.32 C ATOM 533 C GLU A 33 6.164 -10.850 -18.324 1.00 71.20 C ATOM 534 O GLU A 33 5.385 -11.407 -19.085 1.00 10.55 O ATOM 535 CB GLU A 33 8.440 -11.704 -17.670 1.00 54.33 C ATOM 536 CG GLU A 33 8.659 -13.139 -18.170 1.00 40.40 C ATOM 537 CD GLU A 33 7.393 -13.835 -18.656 1.00 71.04 C ATOM 538 OE1 GLU A 33 6.572 -14.245 -17.807 1.00 72.32 O ATOM 539 OE2 GLU A 33 7.226 -13.988 -19.892 1.00 20.43 O ATOM 0 H GLU A 33 8.857 -9.249 -17.847 1.00 53.21 H new ATOM 0 HA GLU A 33 7.826 -11.149 -19.662 1.00 13.32 H new ATOM 0 HB2 GLU A 33 9.411 -11.253 -17.465 1.00 54.33 H new ATOM 0 HB3 GLU A 33 7.900 -11.742 -16.724 1.00 54.33 H new ATOM 0 HG2 GLU A 33 9.384 -13.121 -18.983 1.00 40.40 H new ATOM 0 HG3 GLU A 33 9.097 -13.729 -17.365 1.00 40.40 H new ATOM 546 N THR A 34 5.763 -10.247 -17.203 1.00 63.20 N ATOM 547 CA THR A 34 4.362 -10.311 -16.746 1.00 3.24 C ATOM 548 C THR A 34 3.370 -9.793 -17.798 1.00 43.11 C ATOM 549 O THR A 34 2.269 -10.326 -17.924 1.00 2.42 O ATOM 550 CB THR A 34 4.138 -9.533 -15.429 1.00 23.33 C ATOM 551 OG1 THR A 34 4.406 -8.136 -15.613 1.00 3.01 O ATOM 552 CG2 THR A 34 5.021 -10.081 -14.315 1.00 53.54 C ATOM 0 H THR A 34 6.380 -9.710 -16.594 1.00 63.20 H new ATOM 0 HA THR A 34 4.171 -11.370 -16.575 1.00 3.24 H new ATOM 0 HB THR A 34 3.094 -9.660 -15.144 1.00 23.33 H new ATOM 0 HG1 THR A 34 5.094 -8.023 -16.301 1.00 3.01 H new ATOM 0 HG21 THR A 34 4.844 -9.516 -13.400 1.00 53.54 H new ATOM 0 HG22 THR A 34 4.783 -11.131 -14.145 1.00 53.54 H new ATOM 0 HG23 THR A 34 6.068 -9.988 -14.602 1.00 53.54 H new ATOM 560 N THR A 35 3.745 -8.757 -18.552 1.00 62.42 N ATOM 561 CA THR A 35 2.879 -8.271 -19.642 1.00 22.20 C ATOM 562 C THR A 35 2.988 -9.170 -20.881 1.00 61.25 C ATOM 563 O THR A 35 2.072 -9.228 -21.701 1.00 55.40 O ATOM 564 CB THR A 35 3.188 -6.810 -20.049 1.00 22.44 C ATOM 565 OG1 THR A 35 2.221 -6.341 -21.007 1.00 14.32 O ATOM 566 CG2 THR A 35 4.588 -6.668 -20.636 1.00 62.20 C ATOM 0 H THR A 35 4.620 -8.245 -18.437 1.00 62.42 H new ATOM 0 HA THR A 35 1.863 -8.305 -19.250 1.00 22.20 H new ATOM 0 HB THR A 35 3.134 -6.206 -19.143 1.00 22.44 H new ATOM 0 HG1 THR A 35 1.318 -6.562 -20.695 1.00 14.32 H new ATOM 0 HG21 THR A 35 4.764 -5.627 -20.908 1.00 62.20 H new ATOM 0 HG22 THR A 35 5.326 -6.980 -19.897 1.00 62.20 H new ATOM 0 HG23 THR A 35 4.676 -7.295 -21.523 1.00 62.20 H new ATOM 574 N LYS A 36 4.122 -9.858 -21.015 1.00 23.31 N ATOM 575 CA LYS A 36 4.326 -10.826 -22.099 1.00 50.25 C ATOM 576 C LYS A 36 3.654 -12.173 -21.757 1.00 23.21 C ATOM 577 O LYS A 36 3.331 -12.964 -22.648 1.00 63.24 O ATOM 578 CB LYS A 36 5.835 -11.018 -22.334 1.00 73.31 C ATOM 579 CG LYS A 36 6.199 -11.737 -23.630 1.00 2.13 C ATOM 580 CD LYS A 36 5.684 -10.987 -24.857 1.00 0.30 C ATOM 581 CE LYS A 36 6.397 -11.423 -26.132 1.00 43.33 C ATOM 582 NZ LYS A 36 7.822 -10.991 -26.144 1.00 72.55 N ATOM 0 H LYS A 36 4.918 -9.764 -20.384 1.00 23.31 H new ATOM 0 HA LYS A 36 3.867 -10.444 -23.011 1.00 50.25 H new ATOM 0 HB2 LYS A 36 6.315 -10.040 -22.332 1.00 73.31 H new ATOM 0 HB3 LYS A 36 6.250 -11.579 -21.496 1.00 73.31 H new ATOM 0 HG2 LYS A 36 7.282 -11.842 -23.696 1.00 2.13 H new ATOM 0 HG3 LYS A 36 5.781 -12.744 -23.617 1.00 2.13 H new ATOM 0 HD2 LYS A 36 4.613 -11.158 -24.964 1.00 0.30 H new ATOM 0 HD3 LYS A 36 5.823 -9.916 -24.712 1.00 0.30 H new ATOM 0 HE2 LYS A 36 6.345 -12.508 -26.225 1.00 43.33 H new ATOM 0 HE3 LYS A 36 5.883 -11.004 -26.997 1.00 43.33 H new ATOM 0 HZ1 LYS A 36 7.994 -10.383 -26.970 1.00 72.55 H new ATOM 0 HZ2 LYS A 36 8.031 -10.460 -25.275 1.00 72.55 H new ATOM 0 HZ3 LYS A 36 8.438 -11.827 -26.195 1.00 72.55 H new ATOM 596 N PHE A 37 3.444 -12.402 -20.457 1.00 42.14 N ATOM 597 CA PHE A 37 2.795 -13.613 -19.939 1.00 75.53 C ATOM 598 C PHE A 37 3.526 -14.915 -20.302 1.00 15.43 C ATOM 599 O PHE A 37 3.198 -15.563 -21.299 1.00 3.31 O ATOM 600 CB PHE A 37 1.319 -13.684 -20.373 1.00 61.42 C ATOM 601 CG PHE A 37 0.396 -12.936 -19.448 1.00 23.52 C ATOM 602 CD1 PHE A 37 -0.012 -13.516 -18.254 1.00 41.40 C ATOM 603 CD2 PHE A 37 -0.052 -11.660 -19.756 1.00 12.52 C ATOM 604 CE1 PHE A 37 -0.848 -12.844 -17.389 1.00 75.43 C ATOM 605 CE2 PHE A 37 -0.889 -10.981 -18.890 1.00 72.33 C ATOM 606 CZ PHE A 37 -1.288 -11.573 -17.706 1.00 11.21 C ATOM 0 H PHE A 37 3.722 -11.746 -19.727 1.00 42.14 H new ATOM 0 HA PHE A 37 2.846 -13.527 -18.854 1.00 75.53 H new ATOM 0 HB2 PHE A 37 1.222 -13.278 -21.380 1.00 61.42 H new ATOM 0 HB3 PHE A 37 1.010 -14.728 -20.419 1.00 61.42 H new ATOM 0 HD1 PHE A 37 0.331 -14.508 -18.000 1.00 41.40 H new ATOM 0 HD2 PHE A 37 0.256 -11.193 -20.680 1.00 12.52 H new ATOM 0 HE1 PHE A 37 -1.159 -13.310 -16.465 1.00 75.43 H new ATOM 0 HE2 PHE A 37 -1.231 -9.987 -19.139 1.00 72.33 H new ATOM 0 HZ PHE A 37 -1.943 -11.043 -17.030 1.00 11.21 H new ATOM 616 N VAL A 38 4.528 -15.268 -19.486 1.00 2.03 N ATOM 617 CA VAL A 38 5.155 -16.607 -19.479 1.00 55.41 C ATOM 618 C VAL A 38 5.497 -17.140 -20.887 1.00 43.51 C ATOM 619 O VAL A 38 5.490 -18.352 -21.124 1.00 70.10 O ATOM 620 CB VAL A 38 4.253 -17.626 -18.717 1.00 53.42 C ATOM 621 CG1 VAL A 38 3.856 -17.062 -17.352 1.00 74.32 C ATOM 622 CG2 VAL A 38 3.005 -18.012 -19.521 1.00 10.31 C ATOM 0 H VAL A 38 4.934 -14.629 -18.803 1.00 2.03 H new ATOM 0 HA VAL A 38 6.106 -16.494 -18.958 1.00 55.41 H new ATOM 0 HB VAL A 38 4.837 -18.535 -18.575 1.00 53.42 H new ATOM 0 HG11 VAL A 38 3.226 -17.782 -16.830 1.00 74.32 H new ATOM 0 HG12 VAL A 38 4.753 -16.870 -16.763 1.00 74.32 H new ATOM 0 HG13 VAL A 38 3.305 -16.131 -17.489 1.00 74.32 H new ATOM 0 HG21 VAL A 38 2.409 -18.723 -18.949 1.00 10.31 H new ATOM 0 HG22 VAL A 38 2.411 -17.120 -19.722 1.00 10.31 H new ATOM 0 HG23 VAL A 38 3.306 -18.467 -20.464 1.00 10.31 H new ATOM 632 N THR A 39 5.864 -16.240 -21.795 1.00 24.54 N ATOM 633 CA THR A 39 6.037 -16.595 -23.216 1.00 52.43 C ATOM 634 C THR A 39 7.512 -16.744 -23.639 1.00 43.34 C ATOM 635 O THR A 39 7.908 -17.768 -24.198 1.00 53.21 O ATOM 636 CB THR A 39 5.367 -15.538 -24.139 1.00 14.22 C ATOM 637 OG1 THR A 39 3.953 -15.481 -23.898 1.00 5.04 O ATOM 638 CG2 THR A 39 5.608 -15.846 -25.615 1.00 22.45 C ATOM 0 H THR A 39 6.049 -15.260 -21.581 1.00 24.54 H new ATOM 0 HA THR A 39 5.555 -17.566 -23.329 1.00 52.43 H new ATOM 0 HB THR A 39 5.820 -14.575 -23.904 1.00 14.22 H new ATOM 0 HG1 THR A 39 3.785 -15.486 -22.932 1.00 5.04 H new ATOM 0 HG21 THR A 39 5.125 -15.086 -26.229 1.00 22.45 H new ATOM 0 HG22 THR A 39 6.679 -15.848 -25.816 1.00 22.45 H new ATOM 0 HG23 THR A 39 5.192 -16.825 -25.855 1.00 22.45 H new ATOM 646 N GLU A 40 8.328 -15.730 -23.360 1.00 41.02 N ATOM 647 CA GLU A 40 9.645 -15.608 -24.008 1.00 30.12 C ATOM 648 C GLU A 40 10.807 -16.191 -23.169 1.00 31.32 C ATOM 649 O GLU A 40 10.979 -15.871 -21.980 1.00 4.43 O ATOM 650 CB GLU A 40 9.897 -14.132 -24.334 1.00 21.34 C ATOM 651 CG GLU A 40 11.091 -13.879 -25.246 1.00 52.41 C ATOM 652 CD GLU A 40 11.135 -12.447 -25.758 1.00 55.22 C ATOM 653 OE1 GLU A 40 10.175 -12.031 -26.441 1.00 14.04 O ATOM 654 OE2 GLU A 40 12.115 -11.730 -25.475 1.00 61.31 O ATOM 0 H GLU A 40 8.110 -14.985 -22.698 1.00 41.02 H new ATOM 0 HA GLU A 40 9.620 -16.205 -24.920 1.00 30.12 H new ATOM 0 HB2 GLU A 40 9.004 -13.720 -24.804 1.00 21.34 H new ATOM 0 HB3 GLU A 40 10.047 -13.588 -23.401 1.00 21.34 H new ATOM 0 HG2 GLU A 40 12.011 -14.097 -24.704 1.00 52.41 H new ATOM 0 HG3 GLU A 40 11.050 -14.564 -26.093 1.00 52.41 H new ATOM 661 N ARG A 41 11.622 -17.036 -23.816 1.00 15.22 N ATOM 662 CA ARG A 41 12.775 -17.667 -23.162 1.00 65.51 C ATOM 663 C ARG A 41 13.818 -16.621 -22.731 1.00 21.02 C ATOM 664 O ARG A 41 14.416 -16.744 -21.666 1.00 33.30 O ATOM 665 CB ARG A 41 13.428 -18.715 -24.083 1.00 20.31 C ATOM 666 CG ARG A 41 14.131 -18.121 -25.298 1.00 63.23 C ATOM 667 CD ARG A 41 14.924 -19.163 -26.081 1.00 75.02 C ATOM 668 NE ARG A 41 15.815 -18.533 -27.053 1.00 43.51 N ATOM 669 CZ ARG A 41 16.686 -19.173 -27.783 1.00 11.02 C ATOM 670 NH1 ARG A 41 16.767 -20.462 -27.741 1.00 50.22 N ATOM 671 NH2 ARG A 41 17.480 -18.516 -28.563 1.00 60.03 N ATOM 0 H ARG A 41 11.503 -17.298 -24.794 1.00 15.22 H new ATOM 0 HA ARG A 41 12.405 -18.170 -22.268 1.00 65.51 H new ATOM 0 HB2 ARG A 41 14.150 -19.292 -23.505 1.00 20.31 H new ATOM 0 HB3 ARG A 41 12.662 -19.412 -24.424 1.00 20.31 H new ATOM 0 HG2 ARG A 41 13.391 -17.664 -25.955 1.00 63.23 H new ATOM 0 HG3 ARG A 41 14.803 -17.327 -24.973 1.00 63.23 H new ATOM 0 HD2 ARG A 41 15.508 -19.772 -25.391 1.00 75.02 H new ATOM 0 HD3 ARG A 41 14.237 -19.834 -26.596 1.00 75.02 H new ATOM 0 HE ARG A 41 15.751 -17.522 -27.169 1.00 43.51 H new ATOM 0 HH11 ARG A 41 16.145 -20.993 -27.131 1.00 50.22 H new ATOM 0 HH12 ARG A 41 17.453 -20.949 -28.318 1.00 50.22 H new ATOM 0 HH21 ARG A 41 17.425 -17.498 -28.607 1.00 60.03 H new ATOM 0 HH22 ARG A 41 18.162 -19.015 -29.134 1.00 60.03 H new ATOM 685 N GLU A 42 14.011 -15.576 -23.553 1.00 25.31 N ATOM 686 CA GLU A 42 14.947 -14.484 -23.222 1.00 51.23 C ATOM 687 C GLU A 42 14.683 -13.922 -21.822 1.00 10.41 C ATOM 688 O GLU A 42 15.559 -13.313 -21.208 1.00 14.02 O ATOM 689 CB GLU A 42 14.854 -13.348 -24.257 1.00 42.34 C ATOM 690 CG GLU A 42 15.607 -13.610 -25.561 1.00 14.24 C ATOM 691 CD GLU A 42 15.141 -14.859 -26.286 1.00 51.20 C ATOM 692 OE1 GLU A 42 13.963 -14.908 -26.707 1.00 1.21 O ATOM 693 OE2 GLU A 42 15.946 -15.798 -26.434 1.00 34.21 O ATOM 0 H GLU A 42 13.535 -15.463 -24.448 1.00 25.31 H new ATOM 0 HA GLU A 42 15.951 -14.907 -23.242 1.00 51.23 H new ATOM 0 HB2 GLU A 42 13.804 -13.171 -24.489 1.00 42.34 H new ATOM 0 HB3 GLU A 42 15.240 -12.433 -23.808 1.00 42.34 H new ATOM 0 HG2 GLU A 42 15.487 -12.750 -26.220 1.00 14.24 H new ATOM 0 HG3 GLU A 42 16.672 -13.700 -25.345 1.00 14.24 H new ATOM 700 N TYR A 43 13.464 -14.118 -21.333 1.00 25.12 N ATOM 701 CA TYR A 43 13.119 -13.723 -19.977 1.00 72.02 C ATOM 702 C TYR A 43 13.364 -14.881 -18.996 1.00 73.05 C ATOM 703 O TYR A 43 14.362 -14.891 -18.279 1.00 3.52 O ATOM 704 CB TYR A 43 11.653 -13.278 -19.889 1.00 11.51 C ATOM 705 CG TYR A 43 11.238 -12.229 -20.909 1.00 43.21 C ATOM 706 CD1 TYR A 43 12.124 -11.251 -21.352 1.00 54.51 C ATOM 707 CD2 TYR A 43 9.949 -12.223 -21.427 1.00 34.14 C ATOM 708 CE1 TYR A 43 11.734 -10.305 -22.283 1.00 45.20 C ATOM 709 CE2 TYR A 43 9.554 -11.283 -22.355 1.00 30.31 C ATOM 710 CZ TYR A 43 10.446 -10.327 -22.781 1.00 73.03 C ATOM 711 OH TYR A 43 10.045 -9.389 -23.709 1.00 31.22 O ATOM 0 H TYR A 43 12.701 -14.547 -21.856 1.00 25.12 H new ATOM 0 HA TYR A 43 13.758 -12.883 -19.706 1.00 72.02 H new ATOM 0 HB2 TYR A 43 11.015 -14.154 -20.010 1.00 11.51 H new ATOM 0 HB3 TYR A 43 11.468 -12.885 -18.889 1.00 11.51 H new ATOM 0 HD1 TYR A 43 13.131 -11.230 -20.963 1.00 54.51 H new ATOM 0 HD2 TYR A 43 9.242 -12.970 -21.096 1.00 34.14 H new ATOM 0 HE1 TYR A 43 12.433 -9.553 -22.619 1.00 45.20 H new ATOM 0 HE2 TYR A 43 8.547 -11.297 -22.746 1.00 30.31 H new ATOM 0 HH TYR A 43 10.815 -9.114 -24.250 1.00 31.22 H new ATOM 721 N TYR A 44 12.485 -15.892 -19.018 1.00 1.03 N ATOM 722 CA TYR A 44 12.470 -16.913 -17.950 1.00 51.15 C ATOM 723 C TYR A 44 13.567 -17.993 -18.090 1.00 3.33 C ATOM 724 O TYR A 44 13.668 -18.883 -17.247 1.00 40.43 O ATOM 725 CB TYR A 44 11.079 -17.568 -17.825 1.00 73.43 C ATOM 726 CG TYR A 44 10.557 -18.256 -19.078 1.00 24.01 C ATOM 727 CD1 TYR A 44 11.060 -19.487 -19.485 1.00 21.41 C ATOM 728 CD2 TYR A 44 9.535 -17.688 -19.833 1.00 2.22 C ATOM 729 CE1 TYR A 44 10.567 -20.127 -20.605 1.00 1.12 C ATOM 730 CE2 TYR A 44 9.040 -18.323 -20.956 1.00 3.12 C ATOM 731 CZ TYR A 44 9.558 -19.541 -21.337 1.00 40.20 C ATOM 732 OH TYR A 44 9.060 -20.181 -22.451 1.00 74.03 O ATOM 0 H TYR A 44 11.785 -16.028 -19.747 1.00 1.03 H new ATOM 0 HA TYR A 44 12.698 -16.371 -17.032 1.00 51.15 H new ATOM 0 HB2 TYR A 44 11.114 -18.301 -17.019 1.00 73.43 H new ATOM 0 HB3 TYR A 44 10.363 -16.802 -17.529 1.00 73.43 H new ATOM 0 HD1 TYR A 44 11.851 -19.951 -18.915 1.00 21.41 H new ATOM 0 HD2 TYR A 44 9.122 -16.735 -19.536 1.00 2.22 H new ATOM 0 HE1 TYR A 44 10.971 -21.083 -20.906 1.00 1.12 H new ATOM 0 HE2 TYR A 44 8.250 -17.866 -21.533 1.00 3.12 H new ATOM 0 HH TYR A 44 8.673 -19.520 -23.062 1.00 74.03 H new ATOM 742 N GLU A 45 14.386 -17.919 -19.133 1.00 3.15 N ATOM 743 CA GLU A 45 15.507 -18.864 -19.301 1.00 41.53 C ATOM 744 C GLU A 45 16.865 -18.174 -19.071 1.00 52.01 C ATOM 745 O GLU A 45 17.915 -18.817 -19.132 1.00 50.13 O ATOM 746 CB GLU A 45 15.473 -19.490 -20.703 1.00 52.42 C ATOM 747 CG GLU A 45 14.228 -20.333 -20.987 1.00 1.31 C ATOM 748 CD GLU A 45 14.281 -21.730 -20.379 1.00 70.15 C ATOM 749 OE1 GLU A 45 13.860 -21.912 -19.218 1.00 35.41 O ATOM 750 OE2 GLU A 45 14.712 -22.671 -21.085 1.00 24.11 O ATOM 0 H GLU A 45 14.304 -17.224 -19.875 1.00 3.15 H new ATOM 0 HA GLU A 45 15.392 -19.648 -18.553 1.00 41.53 H new ATOM 0 HB2 GLU A 45 15.535 -18.694 -21.445 1.00 52.42 H new ATOM 0 HB3 GLU A 45 16.357 -20.115 -20.831 1.00 52.42 H new ATOM 0 HG2 GLU A 45 13.352 -19.812 -20.602 1.00 1.31 H new ATOM 0 HG3 GLU A 45 14.098 -20.421 -22.066 1.00 1.31 H new ATOM 757 N ASP A 46 16.840 -16.865 -18.808 1.00 73.43 N ATOM 758 CA ASP A 46 18.075 -16.089 -18.611 1.00 54.42 C ATOM 759 C ASP A 46 18.083 -15.318 -17.271 1.00 32.53 C ATOM 760 O ASP A 46 19.103 -15.283 -16.575 1.00 34.52 O ATOM 761 CB ASP A 46 18.277 -15.115 -19.780 1.00 64.22 C ATOM 762 CG ASP A 46 18.514 -15.832 -21.103 1.00 53.34 C ATOM 763 OD1 ASP A 46 19.629 -16.359 -21.308 1.00 51.03 O ATOM 764 OD2 ASP A 46 17.595 -15.867 -21.947 1.00 71.11 O ATOM 0 H ASP A 46 15.983 -16.318 -18.726 1.00 73.43 H new ATOM 0 HA ASP A 46 18.900 -16.801 -18.577 1.00 54.42 H new ATOM 0 HB2 ASP A 46 17.400 -14.474 -19.870 1.00 64.22 H new ATOM 0 HB3 ASP A 46 19.126 -14.466 -19.565 1.00 64.22 H new ATOM 769 N PHE A 47 16.953 -14.699 -16.908 1.00 23.14 N ATOM 770 CA PHE A 47 16.883 -13.881 -15.682 1.00 63.11 C ATOM 771 C PHE A 47 15.430 -13.521 -15.304 1.00 61.32 C ATOM 772 O PHE A 47 14.486 -14.156 -15.763 1.00 73.30 O ATOM 773 CB PHE A 47 17.736 -12.604 -15.848 1.00 23.11 C ATOM 774 CG PHE A 47 17.263 -11.634 -16.920 1.00 72.13 C ATOM 775 CD1 PHE A 47 16.787 -12.082 -18.149 1.00 33.11 C ATOM 776 CD2 PHE A 47 17.315 -10.264 -16.696 1.00 73.24 C ATOM 777 CE1 PHE A 47 16.375 -11.186 -19.119 1.00 2.32 C ATOM 778 CE2 PHE A 47 16.903 -9.368 -17.665 1.00 13.31 C ATOM 779 CZ PHE A 47 16.433 -9.829 -18.877 1.00 53.24 C ATOM 0 H PHE A 47 16.082 -14.745 -17.436 1.00 23.14 H new ATOM 0 HA PHE A 47 17.286 -14.478 -14.864 1.00 63.11 H new ATOM 0 HB2 PHE A 47 17.761 -12.079 -14.893 1.00 23.11 H new ATOM 0 HB3 PHE A 47 18.760 -12.899 -16.077 1.00 23.11 H new ATOM 0 HD1 PHE A 47 16.739 -13.142 -18.348 1.00 33.11 H new ATOM 0 HD2 PHE A 47 17.683 -9.893 -15.751 1.00 73.24 H new ATOM 0 HE1 PHE A 47 16.007 -11.549 -20.067 1.00 2.32 H new ATOM 0 HE2 PHE A 47 16.949 -8.306 -17.473 1.00 13.31 H new ATOM 0 HZ PHE A 47 16.111 -9.130 -19.634 1.00 53.24 H new ATOM 789 N GLY A 48 15.258 -12.517 -14.438 1.00 64.11 N ATOM 790 CA GLY A 48 13.914 -12.094 -14.030 1.00 11.14 C ATOM 791 C GLY A 48 13.389 -12.800 -12.777 1.00 63.51 C ATOM 792 O GLY A 48 12.252 -12.580 -12.360 1.00 74.12 O ATOM 0 H GLY A 48 16.019 -11.989 -14.012 1.00 64.11 H new ATOM 0 HA2 GLY A 48 13.922 -11.019 -13.852 1.00 11.14 H new ATOM 0 HA3 GLY A 48 13.222 -12.275 -14.853 1.00 11.14 H new ATOM 796 N TYR A 49 14.212 -13.655 -12.174 1.00 71.33 N ATOM 797 CA TYR A 49 13.832 -14.364 -10.941 1.00 32.01 C ATOM 798 C TYR A 49 14.250 -13.569 -9.693 1.00 3.52 C ATOM 799 O TYR A 49 15.385 -13.103 -9.608 1.00 41.13 O ATOM 800 CB TYR A 49 14.475 -15.754 -10.903 1.00 64.25 C ATOM 801 CG TYR A 49 13.968 -16.712 -11.969 1.00 2.45 C ATOM 802 CD1 TYR A 49 14.273 -16.526 -13.315 1.00 30.02 C ATOM 803 CD2 TYR A 49 13.178 -17.802 -11.624 1.00 2.42 C ATOM 804 CE1 TYR A 49 13.806 -17.400 -14.279 1.00 1.12 C ATOM 805 CE2 TYR A 49 12.709 -18.678 -12.582 1.00 25.31 C ATOM 806 CZ TYR A 49 13.025 -18.473 -13.905 1.00 2.15 C ATOM 807 OH TYR A 49 12.556 -19.343 -14.860 1.00 34.33 O ATOM 0 H TYR A 49 15.147 -13.878 -12.514 1.00 71.33 H new ATOM 0 HA TYR A 49 12.747 -14.468 -10.940 1.00 32.01 H new ATOM 0 HB2 TYR A 49 15.554 -15.645 -11.014 1.00 64.25 H new ATOM 0 HB3 TYR A 49 14.299 -16.195 -9.922 1.00 64.25 H new ATOM 0 HD1 TYR A 49 14.884 -15.686 -13.610 1.00 30.02 H new ATOM 0 HD2 TYR A 49 12.926 -17.967 -10.587 1.00 2.42 H new ATOM 0 HE1 TYR A 49 14.051 -17.243 -15.319 1.00 1.12 H new ATOM 0 HE2 TYR A 49 12.097 -19.520 -12.294 1.00 25.31 H new ATOM 0 HH TYR A 49 12.788 -19.007 -15.751 1.00 34.33 H new ATOM 817 N GLY A 50 13.339 -13.454 -8.722 1.00 61.31 N ATOM 818 CA GLY A 50 13.580 -12.638 -7.527 1.00 64.51 C ATOM 819 C GLY A 50 14.883 -12.958 -6.795 1.00 2.31 C ATOM 820 O GLY A 50 15.884 -12.254 -6.949 1.00 64.04 O ATOM 0 H GLY A 50 12.429 -13.915 -8.739 1.00 61.31 H new ATOM 0 HA2 GLY A 50 13.589 -11.587 -7.816 1.00 64.51 H new ATOM 0 HA3 GLY A 50 12.747 -12.772 -6.836 1.00 64.51 H new ATOM 824 N GLU A 51 14.859 -14.008 -5.985 1.00 2.14 N ATOM 825 CA GLU A 51 16.038 -14.443 -5.228 1.00 12.03 C ATOM 826 C GLU A 51 16.372 -15.920 -5.498 1.00 42.12 C ATOM 827 O GLU A 51 17.207 -16.516 -4.815 1.00 75.52 O ATOM 828 CB GLU A 51 15.821 -14.208 -3.723 1.00 63.32 C ATOM 829 CG GLU A 51 14.501 -14.754 -3.171 1.00 11.44 C ATOM 830 CD GLU A 51 13.291 -13.919 -3.583 1.00 0.11 C ATOM 831 OE1 GLU A 51 13.058 -12.861 -2.963 1.00 51.31 O ATOM 832 OE2 GLU A 51 12.581 -14.317 -4.536 1.00 55.20 O ATOM 0 H GLU A 51 14.030 -14.583 -5.831 1.00 2.14 H new ATOM 0 HA GLU A 51 16.887 -13.847 -5.562 1.00 12.03 H new ATOM 0 HB2 GLU A 51 16.645 -14.666 -3.176 1.00 63.32 H new ATOM 0 HB3 GLU A 51 15.865 -13.137 -3.527 1.00 63.32 H new ATOM 0 HG2 GLU A 51 14.364 -15.778 -3.519 1.00 11.44 H new ATOM 0 HG3 GLU A 51 14.556 -14.791 -2.083 1.00 11.44 H new ATOM 839 N CYS A 52 15.715 -16.507 -6.498 1.00 40.24 N ATOM 840 CA CYS A 52 15.992 -17.894 -6.903 1.00 32.42 C ATOM 841 C CYS A 52 17.185 -17.962 -7.872 1.00 14.04 C ATOM 842 O CYS A 52 18.221 -18.554 -7.562 1.00 11.31 O ATOM 843 CB CYS A 52 14.747 -18.518 -7.552 1.00 61.12 C ATOM 844 SG CYS A 52 13.288 -18.529 -6.482 1.00 43.52 S ATOM 0 H CYS A 52 14.987 -16.048 -7.045 1.00 40.24 H new ATOM 0 HA CYS A 52 16.249 -18.461 -6.008 1.00 32.42 H new ATOM 0 HB2 CYS A 52 14.512 -17.970 -8.464 1.00 61.12 H new ATOM 0 HB3 CYS A 52 14.977 -19.542 -7.846 1.00 61.12 H new ATOM 0 HG CYS A 52 12.337 -17.838 -7.038 1.00 43.52 H new ATOM 850 N PHE A 53 17.029 -17.354 -9.048 1.00 34.40 N ATOM 851 CA PHE A 53 18.120 -17.280 -10.038 1.00 72.32 C ATOM 852 C PHE A 53 19.088 -16.140 -9.673 1.00 22.23 C ATOM 853 O PHE A 53 20.308 -16.289 -9.744 1.00 33.41 O ATOM 854 CB PHE A 53 17.538 -17.054 -11.447 1.00 74.34 C ATOM 855 CG PHE A 53 18.437 -17.455 -12.605 1.00 21.22 C ATOM 856 CD1 PHE A 53 19.810 -17.613 -12.444 1.00 50.30 C ATOM 857 CD2 PHE A 53 17.893 -17.676 -13.866 1.00 4.44 C ATOM 858 CE1 PHE A 53 20.612 -17.982 -13.507 1.00 32.42 C ATOM 859 CE2 PHE A 53 18.694 -18.045 -14.932 1.00 71.42 C ATOM 860 CZ PHE A 53 20.055 -18.197 -14.752 1.00 73.31 C ATOM 0 H PHE A 53 16.163 -16.905 -9.344 1.00 34.40 H new ATOM 0 HA PHE A 53 18.669 -18.221 -10.031 1.00 72.32 H new ATOM 0 HB2 PHE A 53 16.604 -17.610 -11.527 1.00 74.34 H new ATOM 0 HB3 PHE A 53 17.291 -15.998 -11.552 1.00 74.34 H new ATOM 0 HD1 PHE A 53 20.255 -17.445 -11.474 1.00 50.30 H new ATOM 0 HD2 PHE A 53 16.830 -17.558 -14.015 1.00 4.44 H new ATOM 0 HE1 PHE A 53 21.676 -18.102 -13.364 1.00 32.42 H new ATOM 0 HE2 PHE A 53 18.255 -18.214 -15.904 1.00 71.42 H new ATOM 0 HZ PHE A 53 20.682 -18.483 -15.583 1.00 73.31 H new ATOM 870 N ASN A 54 18.523 -14.995 -9.293 1.00 62.33 N ATOM 871 CA ASN A 54 19.316 -13.856 -8.828 1.00 22.51 C ATOM 872 C ASN A 54 19.931 -14.152 -7.450 1.00 51.03 C ATOM 873 O ASN A 54 19.318 -14.817 -6.614 1.00 34.32 O ATOM 874 CB ASN A 54 18.438 -12.602 -8.766 1.00 22.35 C ATOM 875 CG ASN A 54 19.163 -11.397 -8.197 1.00 52.22 C ATOM 876 OD1 ASN A 54 20.371 -11.236 -8.361 1.00 1.40 O ATOM 877 ND2 ASN A 54 18.431 -10.549 -7.511 1.00 62.15 N ATOM 0 H ASN A 54 17.516 -14.830 -9.298 1.00 62.33 H new ATOM 0 HA ASN A 54 20.130 -13.683 -9.532 1.00 22.51 H new ATOM 0 HB2 ASN A 54 18.082 -12.365 -9.769 1.00 22.35 H new ATOM 0 HB3 ASN A 54 17.559 -12.811 -8.157 1.00 22.35 H new ATOM 0 HD21 ASN A 54 18.862 -9.724 -7.094 1.00 62.15 H new ATOM 0 HD22 ASN A 54 17.431 -10.715 -7.396 1.00 62.15 H new ATOM 884 N SER A 55 21.139 -13.648 -7.221 1.00 61.52 N ATOM 885 CA SER A 55 21.889 -13.948 -5.991 1.00 50.13 C ATOM 886 C SER A 55 21.570 -12.971 -4.849 1.00 34.33 C ATOM 887 O SER A 55 21.727 -13.311 -3.679 1.00 30.41 O ATOM 888 CB SER A 55 23.396 -13.936 -6.279 1.00 63.23 C ATOM 889 OG SER A 55 24.158 -14.159 -5.101 1.00 60.42 O ATOM 0 H SER A 55 21.626 -13.028 -7.868 1.00 61.52 H new ATOM 0 HA SER A 55 21.579 -14.940 -5.663 1.00 50.13 H new ATOM 0 HB2 SER A 55 23.632 -14.704 -7.016 1.00 63.23 H new ATOM 0 HB3 SER A 55 23.675 -12.978 -6.717 1.00 63.23 H new ATOM 0 HG SER A 55 25.113 -14.146 -5.322 1.00 60.42 H new ATOM 895 N THR A 56 21.124 -11.760 -5.181 1.00 51.13 N ATOM 896 CA THR A 56 20.841 -10.745 -4.152 1.00 74.30 C ATOM 897 C THR A 56 19.442 -10.931 -3.542 1.00 42.23 C ATOM 898 O THR A 56 18.449 -10.417 -4.063 1.00 73.51 O ATOM 899 CB THR A 56 20.967 -9.301 -4.710 1.00 65.53 C ATOM 900 OG1 THR A 56 19.991 -9.069 -5.739 1.00 61.32 O ATOM 901 CG2 THR A 56 22.364 -9.051 -5.270 1.00 4.23 C ATOM 0 H THR A 56 20.951 -11.455 -6.139 1.00 51.13 H new ATOM 0 HA THR A 56 21.591 -10.886 -3.373 1.00 74.30 H new ATOM 0 HB THR A 56 20.790 -8.612 -3.884 1.00 65.53 H new ATOM 0 HG1 THR A 56 19.092 -9.205 -5.374 1.00 61.32 H new ATOM 0 HG21 THR A 56 22.425 -8.033 -5.654 1.00 4.23 H new ATOM 0 HG22 THR A 56 23.102 -9.186 -4.480 1.00 4.23 H new ATOM 0 HG23 THR A 56 22.564 -9.756 -6.077 1.00 4.23 H new ATOM 909 N GLU A 57 19.365 -11.678 -2.440 1.00 0.35 N ATOM 910 CA GLU A 57 18.082 -11.939 -1.769 1.00 45.44 C ATOM 911 C GLU A 57 17.639 -10.746 -0.901 1.00 42.53 C ATOM 912 O GLU A 57 17.902 -10.685 0.302 1.00 12.40 O ATOM 913 CB GLU A 57 18.124 -13.242 -0.935 1.00 3.21 C ATOM 914 CG GLU A 57 19.207 -13.305 0.147 1.00 42.33 C ATOM 915 CD GLU A 57 20.607 -13.507 -0.413 1.00 65.01 C ATOM 916 OE1 GLU A 57 20.932 -14.646 -0.809 1.00 74.13 O ATOM 917 OE2 GLU A 57 21.380 -12.528 -0.471 1.00 71.20 O ATOM 0 H GLU A 57 20.171 -12.114 -1.991 1.00 0.35 H new ATOM 0 HA GLU A 57 17.338 -12.073 -2.555 1.00 45.44 H new ATOM 0 HB2 GLU A 57 17.153 -13.378 -0.459 1.00 3.21 H new ATOM 0 HB3 GLU A 57 18.266 -14.082 -1.615 1.00 3.21 H new ATOM 0 HG2 GLU A 57 19.185 -12.383 0.727 1.00 42.33 H new ATOM 0 HG3 GLU A 57 18.977 -14.119 0.834 1.00 42.33 H new ATOM 924 N SER A 58 16.977 -9.781 -1.531 1.00 35.31 N ATOM 925 CA SER A 58 16.467 -8.597 -0.825 1.00 41.34 C ATOM 926 C SER A 58 15.083 -8.872 -0.221 1.00 10.44 C ATOM 927 O SER A 58 14.055 -8.567 -0.826 1.00 1.23 O ATOM 928 CB SER A 58 16.404 -7.392 -1.776 1.00 14.34 C ATOM 929 OG SER A 58 17.680 -7.116 -2.337 1.00 43.22 O ATOM 0 H SER A 58 16.778 -9.790 -2.531 1.00 35.31 H new ATOM 0 HA SER A 58 17.154 -8.366 -0.011 1.00 41.34 H new ATOM 0 HB2 SER A 58 15.688 -7.591 -2.573 1.00 14.34 H new ATOM 0 HB3 SER A 58 16.044 -6.517 -1.236 1.00 14.34 H new ATOM 0 HG SER A 58 17.577 -6.878 -3.282 1.00 43.22 H new ATOM 935 N GLU A 59 15.076 -9.452 0.981 1.00 12.24 N ATOM 936 CA GLU A 59 13.839 -9.889 1.652 1.00 0.11 C ATOM 937 C GLU A 59 12.868 -8.727 1.932 1.00 43.14 C ATOM 938 O GLU A 59 11.660 -8.931 2.036 1.00 73.45 O ATOM 939 CB GLU A 59 14.186 -10.591 2.970 1.00 0.24 C ATOM 940 CG GLU A 59 15.130 -11.780 2.809 1.00 64.30 C ATOM 941 CD GLU A 59 15.566 -12.364 4.144 1.00 32.00 C ATOM 942 OE1 GLU A 59 16.136 -11.612 4.962 1.00 24.34 O ATOM 943 OE2 GLU A 59 15.335 -13.570 4.393 1.00 31.30 O ATOM 0 H GLU A 59 15.923 -9.634 1.520 1.00 12.24 H new ATOM 0 HA GLU A 59 13.335 -10.576 0.973 1.00 0.11 H new ATOM 0 HB2 GLU A 59 14.641 -9.868 3.646 1.00 0.24 H new ATOM 0 HB3 GLU A 59 13.265 -10.933 3.442 1.00 0.24 H new ATOM 0 HG2 GLU A 59 14.637 -12.554 2.221 1.00 64.30 H new ATOM 0 HG3 GLU A 59 16.011 -11.467 2.248 1.00 64.30 H new ATOM 950 N VAL A 60 13.400 -7.515 2.069 1.00 52.35 N ATOM 951 CA VAL A 60 12.570 -6.338 2.357 1.00 12.32 C ATOM 952 C VAL A 60 12.049 -5.687 1.064 1.00 11.41 C ATOM 953 O VAL A 60 10.950 -5.131 1.032 1.00 70.11 O ATOM 954 CB VAL A 60 13.359 -5.287 3.180 1.00 74.24 C ATOM 955 CG1 VAL A 60 12.485 -4.081 3.521 1.00 42.40 C ATOM 956 CG2 VAL A 60 13.934 -5.919 4.447 1.00 32.21 C ATOM 0 H VAL A 60 14.397 -7.318 1.986 1.00 52.35 H new ATOM 0 HA VAL A 60 11.719 -6.685 2.943 1.00 12.32 H new ATOM 0 HB VAL A 60 14.187 -4.932 2.567 1.00 74.24 H new ATOM 0 HG11 VAL A 60 13.066 -3.362 4.098 1.00 42.40 H new ATOM 0 HG12 VAL A 60 12.138 -3.612 2.601 1.00 42.40 H new ATOM 0 HG13 VAL A 60 11.627 -4.408 4.108 1.00 42.40 H new ATOM 0 HG21 VAL A 60 14.484 -5.166 5.012 1.00 32.21 H new ATOM 0 HG22 VAL A 60 13.122 -6.310 5.060 1.00 32.21 H new ATOM 0 HG23 VAL A 60 14.607 -6.732 4.175 1.00 32.21 H new ATOM 966 N GLN A 61 12.845 -5.759 -0.001 1.00 52.34 N ATOM 967 CA GLN A 61 12.465 -5.179 -1.298 1.00 3.54 C ATOM 968 C GLN A 61 11.824 -6.222 -2.229 1.00 24.34 C ATOM 969 O GLN A 61 11.608 -5.963 -3.415 1.00 12.10 O ATOM 970 CB GLN A 61 13.693 -4.551 -1.973 1.00 5.44 C ATOM 971 CG GLN A 61 14.260 -3.340 -1.233 1.00 51.24 C ATOM 972 CD GLN A 61 13.350 -2.116 -1.287 1.00 70.14 C ATOM 973 OE1 GLN A 61 12.127 -2.223 -1.365 1.00 20.13 O ATOM 974 NE2 GLN A 61 13.939 -0.938 -1.248 1.00 1.11 N ATOM 0 H GLN A 61 13.759 -6.212 0.004 1.00 52.34 H new ATOM 0 HA GLN A 61 11.719 -4.407 -1.108 1.00 3.54 H new ATOM 0 HB2 GLN A 61 14.473 -5.308 -2.061 1.00 5.44 H new ATOM 0 HB3 GLN A 61 13.424 -4.251 -2.986 1.00 5.44 H new ATOM 0 HG2 GLN A 61 14.434 -3.609 -0.191 1.00 51.24 H new ATOM 0 HG3 GLN A 61 15.229 -3.083 -1.661 1.00 51.24 H new ATOM 0 HE21 GLN A 61 14.955 -0.878 -1.183 1.00 1.11 H new ATOM 0 HE22 GLN A 61 13.379 -0.086 -1.283 1.00 1.11 H new ATOM 983 N CYS A 62 11.522 -7.393 -1.682 1.00 53.02 N ATOM 984 CA CYS A 62 10.859 -8.468 -2.431 1.00 11.42 C ATOM 985 C CYS A 62 10.021 -9.329 -1.484 1.00 72.33 C ATOM 986 O CYS A 62 10.129 -9.203 -0.263 1.00 74.21 O ATOM 987 CB CYS A 62 11.899 -9.344 -3.144 1.00 2.13 C ATOM 988 SG CYS A 62 11.201 -10.594 -4.252 1.00 70.33 S ATOM 0 H CYS A 62 11.726 -7.630 -0.711 1.00 53.02 H new ATOM 0 HA CYS A 62 10.206 -8.017 -3.178 1.00 11.42 H new ATOM 0 HB2 CYS A 62 12.565 -8.700 -3.718 1.00 2.13 H new ATOM 0 HB3 CYS A 62 12.510 -9.844 -2.392 1.00 2.13 H new ATOM 0 HG CYS A 62 11.755 -11.745 -4.011 1.00 70.33 H new ATOM 994 N GLU A 63 9.182 -10.201 -2.033 1.00 62.21 N ATOM 995 CA GLU A 63 8.379 -11.097 -1.195 1.00 72.22 C ATOM 996 C GLU A 63 8.598 -12.572 -1.551 1.00 44.33 C ATOM 997 O GLU A 63 7.968 -13.100 -2.459 1.00 31.13 O ATOM 998 CB GLU A 63 6.880 -10.762 -1.279 1.00 33.41 C ATOM 999 CG GLU A 63 6.505 -9.378 -0.747 1.00 33.22 C ATOM 1000 CD GLU A 63 5.072 -9.322 -0.229 1.00 74.31 C ATOM 1001 OE1 GLU A 63 4.137 -9.431 -1.041 1.00 51.11 O ATOM 1002 OE2 GLU A 63 4.879 -9.204 0.997 1.00 3.40 O ATOM 0 H GLU A 63 9.038 -10.309 -3.037 1.00 62.21 H new ATOM 0 HA GLU A 63 8.718 -10.938 -0.171 1.00 72.22 H new ATOM 0 HB2 GLU A 63 6.563 -10.835 -2.319 1.00 33.41 H new ATOM 0 HB3 GLU A 63 6.321 -11.514 -0.722 1.00 33.41 H new ATOM 0 HG2 GLU A 63 7.189 -9.103 0.055 1.00 33.22 H new ATOM 0 HG3 GLU A 63 6.631 -8.641 -1.540 1.00 33.22 H new ATOM 1009 N LEU A 64 9.510 -13.221 -0.831 1.00 1.22 N ATOM 1010 CA LEU A 64 9.671 -14.681 -0.917 1.00 1.32 C ATOM 1011 C LEU A 64 8.886 -15.367 0.216 1.00 34.43 C ATOM 1012 O LEU A 64 8.292 -16.431 0.033 1.00 12.24 O ATOM 1013 CB LEU A 64 11.160 -15.088 -0.857 1.00 45.44 C ATOM 1014 CG LEU A 64 11.909 -14.806 0.467 1.00 52.31 C ATOM 1015 CD1 LEU A 64 13.251 -15.536 0.492 1.00 1.15 C ATOM 1016 CD2 LEU A 64 12.125 -13.308 0.680 1.00 61.12 C ATOM 0 H LEU A 64 10.150 -12.765 -0.181 1.00 1.22 H new ATOM 0 HA LEU A 64 9.274 -15.008 -1.878 1.00 1.32 H new ATOM 0 HB2 LEU A 64 11.229 -16.156 -1.065 1.00 45.44 H new ATOM 0 HB3 LEU A 64 11.685 -14.572 -1.661 1.00 45.44 H new ATOM 0 HG LEU A 64 11.287 -15.178 1.281 1.00 52.31 H new ATOM 0 HD11 LEU A 64 13.763 -15.325 1.431 1.00 1.15 H new ATOM 0 HD12 LEU A 64 13.083 -16.609 0.403 1.00 1.15 H new ATOM 0 HD13 LEU A 64 13.866 -15.195 -0.341 1.00 1.15 H new ATOM 0 HD21 LEU A 64 12.654 -13.147 1.619 1.00 61.12 H new ATOM 0 HD22 LEU A 64 12.715 -12.905 -0.143 1.00 61.12 H new ATOM 0 HD23 LEU A 64 11.160 -12.803 0.716 1.00 61.12 H new ATOM 1028 N ILE A 65 8.893 -14.734 1.391 1.00 60.44 N ATOM 1029 CA ILE A 65 8.141 -15.210 2.566 1.00 52.30 C ATOM 1030 C ILE A 65 7.482 -14.031 3.299 1.00 45.30 C ATOM 1031 O ILE A 65 7.012 -14.167 4.429 1.00 62.23 O ATOM 1032 CB ILE A 65 9.069 -15.953 3.571 1.00 45.11 C ATOM 1033 CG1 ILE A 65 10.199 -15.018 4.045 1.00 13.50 C ATOM 1034 CG2 ILE A 65 9.642 -17.228 2.949 1.00 63.32 C ATOM 1035 CD1 ILE A 65 11.102 -15.621 5.100 1.00 53.13 C ATOM 0 H ILE A 65 9.419 -13.876 1.560 1.00 60.44 H new ATOM 0 HA ILE A 65 7.380 -15.899 2.200 1.00 52.30 H new ATOM 0 HB ILE A 65 8.474 -16.244 4.437 1.00 45.11 H new ATOM 0 HG12 ILE A 65 10.804 -14.733 3.185 1.00 13.50 H new ATOM 0 HG13 ILE A 65 9.757 -14.104 4.441 1.00 13.50 H new ATOM 0 HG21 ILE A 65 10.287 -17.728 3.672 1.00 63.32 H new ATOM 0 HG22 ILE A 65 8.826 -17.894 2.669 1.00 63.32 H new ATOM 0 HG23 ILE A 65 10.222 -16.971 2.062 1.00 63.32 H new ATOM 0 HD11 ILE A 65 11.869 -14.899 5.378 1.00 53.13 H new ATOM 0 HD12 ILE A 65 10.512 -15.880 5.979 1.00 53.13 H new ATOM 0 HD13 ILE A 65 11.576 -16.519 4.703 1.00 53.13 H new ATOM 1047 N THR A 66 7.432 -12.879 2.635 1.00 35.14 N ATOM 1048 CA THR A 66 7.090 -11.616 3.300 1.00 34.10 C ATOM 1049 C THR A 66 5.597 -11.501 3.669 1.00 11.45 C ATOM 1050 O THR A 66 5.273 -11.276 4.840 1.00 1.21 O ATOM 1051 CB THR A 66 7.514 -10.406 2.439 1.00 62.35 C ATOM 1052 OG1 THR A 66 8.876 -10.578 2.006 1.00 23.44 O ATOM 1053 CG2 THR A 66 7.392 -9.097 3.215 1.00 44.45 C ATOM 0 H THR A 66 7.623 -12.790 1.637 1.00 35.14 H new ATOM 0 HA THR A 66 7.649 -11.613 4.236 1.00 34.10 H new ATOM 0 HB THR A 66 6.848 -10.355 1.578 1.00 62.35 H new ATOM 0 HG1 THR A 66 9.395 -9.779 2.235 1.00 23.44 H new ATOM 0 HG21 THR A 66 7.698 -8.267 2.579 1.00 44.45 H new ATOM 0 HG22 THR A 66 6.357 -8.953 3.526 1.00 44.45 H new ATOM 0 HG23 THR A 66 8.033 -9.135 4.096 1.00 44.45 H new ATOM 1061 N GLY A 67 4.678 -11.644 2.701 1.00 54.34 N ATOM 1062 CA GLY A 67 3.255 -11.551 3.048 1.00 13.51 C ATOM 1063 C GLY A 67 2.255 -11.613 1.882 1.00 23.22 C ATOM 1064 O GLY A 67 1.500 -12.583 1.759 1.00 51.13 O ATOM 0 H GLY A 67 4.882 -11.817 1.717 1.00 54.34 H new ATOM 0 HA2 GLY A 67 3.020 -12.359 3.741 1.00 13.51 H new ATOM 0 HA3 GLY A 67 3.096 -10.615 3.584 1.00 13.51 H new ATOM 1068 N GLU A 68 2.238 -10.591 1.029 1.00 73.22 N ATOM 1069 CA GLU A 68 1.099 -10.364 0.114 1.00 2.31 C ATOM 1070 C GLU A 68 1.150 -11.190 -1.194 1.00 32.13 C ATOM 1071 O GLU A 68 0.102 -11.579 -1.727 1.00 60.51 O ATOM 1072 CB GLU A 68 0.999 -8.869 -0.240 1.00 53.32 C ATOM 1073 CG GLU A 68 1.103 -7.926 0.959 1.00 0.14 C ATOM 1074 CD GLU A 68 0.148 -8.277 2.093 1.00 3.41 C ATOM 1075 OE1 GLU A 68 -1.074 -8.088 1.933 1.00 52.30 O ATOM 1076 OE2 GLU A 68 0.619 -8.739 3.155 1.00 70.53 O ATOM 0 H GLU A 68 2.989 -9.906 0.945 1.00 73.22 H new ATOM 0 HA GLU A 68 0.218 -10.703 0.658 1.00 2.31 H new ATOM 0 HB2 GLU A 68 1.789 -8.623 -0.950 1.00 53.32 H new ATOM 0 HB3 GLU A 68 0.050 -8.691 -0.745 1.00 53.32 H new ATOM 0 HG2 GLU A 68 2.125 -7.943 1.337 1.00 0.14 H new ATOM 0 HG3 GLU A 68 0.903 -6.907 0.628 1.00 0.14 H new ATOM 1083 N PHE A 69 2.346 -11.445 -1.721 1.00 21.42 N ATOM 1084 CA PHE A 69 2.494 -12.027 -3.072 1.00 35.50 C ATOM 1085 C PHE A 69 1.894 -13.440 -3.215 1.00 64.40 C ATOM 1086 O PHE A 69 1.511 -13.833 -4.320 1.00 34.33 O ATOM 1087 CB PHE A 69 3.969 -12.054 -3.495 1.00 44.34 C ATOM 1088 CG PHE A 69 4.723 -13.293 -3.078 1.00 40.14 C ATOM 1089 CD1 PHE A 69 4.893 -13.601 -1.739 1.00 5.35 C ATOM 1090 CD2 PHE A 69 5.271 -14.139 -4.033 1.00 11.55 C ATOM 1091 CE1 PHE A 69 5.592 -14.730 -1.359 1.00 34.53 C ATOM 1092 CE2 PHE A 69 5.975 -15.268 -3.659 1.00 51.23 C ATOM 1093 CZ PHE A 69 6.135 -15.562 -2.319 1.00 3.51 C ATOM 0 H PHE A 69 3.228 -11.262 -1.243 1.00 21.42 H new ATOM 0 HA PHE A 69 1.923 -11.373 -3.732 1.00 35.50 H new ATOM 0 HB2 PHE A 69 4.023 -11.960 -4.580 1.00 44.34 H new ATOM 0 HB3 PHE A 69 4.469 -11.182 -3.074 1.00 44.34 H new ATOM 0 HD1 PHE A 69 4.475 -12.952 -0.984 1.00 5.35 H new ATOM 0 HD2 PHE A 69 5.146 -13.912 -5.081 1.00 11.55 H new ATOM 0 HE1 PHE A 69 5.714 -14.962 -0.311 1.00 34.53 H new ATOM 0 HE2 PHE A 69 6.398 -15.917 -4.411 1.00 51.23 H new ATOM 0 HZ PHE A 69 6.685 -16.443 -2.022 1.00 3.51 H new ATOM 1103 N ASP A 70 1.766 -14.181 -2.112 1.00 13.30 N ATOM 1104 CA ASP A 70 1.347 -15.591 -2.171 1.00 61.51 C ATOM 1105 C ASP A 70 0.062 -15.772 -3.012 1.00 3.55 C ATOM 1106 O ASP A 70 -0.908 -15.018 -2.867 1.00 73.43 O ATOM 1107 CB ASP A 70 1.131 -16.141 -0.754 1.00 23.52 C ATOM 1108 CG ASP A 70 0.822 -17.633 -0.745 1.00 32.31 C ATOM 1109 OD1 ASP A 70 -0.364 -18.001 -0.834 1.00 53.02 O ATOM 1110 OD2 ASP A 70 1.768 -18.446 -0.666 1.00 24.42 O ATOM 0 H ASP A 70 1.945 -13.834 -1.170 1.00 13.30 H new ATOM 0 HA ASP A 70 2.145 -16.151 -2.658 1.00 61.51 H new ATOM 0 HB2 ASP A 70 2.023 -15.955 -0.156 1.00 23.52 H new ATOM 0 HB3 ASP A 70 0.311 -15.601 -0.280 1.00 23.52 H new ATOM 1115 N PRO A 71 0.051 -16.767 -3.923 1.00 21.53 N ATOM 1116 CA PRO A 71 -1.092 -17.026 -4.816 1.00 72.21 C ATOM 1117 C PRO A 71 -2.285 -17.725 -4.128 1.00 42.24 C ATOM 1118 O PRO A 71 -3.117 -18.336 -4.798 1.00 5.21 O ATOM 1119 CB PRO A 71 -0.480 -17.928 -5.895 1.00 12.21 C ATOM 1120 CG PRO A 71 0.604 -18.667 -5.187 1.00 53.40 C ATOM 1121 CD PRO A 71 1.166 -17.709 -4.172 1.00 1.11 C ATOM 0 HA PRO A 71 -1.524 -16.098 -5.190 1.00 72.21 H new ATOM 0 HB2 PRO A 71 -1.221 -18.611 -6.310 1.00 12.21 H new ATOM 0 HB3 PRO A 71 -0.085 -17.343 -6.726 1.00 12.21 H new ATOM 0 HG2 PRO A 71 0.214 -19.563 -4.704 1.00 53.40 H new ATOM 0 HG3 PRO A 71 1.375 -18.992 -5.886 1.00 53.40 H new ATOM 0 HD2 PRO A 71 1.467 -18.224 -3.259 1.00 1.11 H new ATOM 0 HD3 PRO A 71 2.048 -17.194 -4.553 1.00 1.11 H new ATOM 1129 N LYS A 72 -2.369 -17.618 -2.798 1.00 13.22 N ATOM 1130 CA LYS A 72 -3.506 -18.151 -2.027 1.00 1.21 C ATOM 1131 C LYS A 72 -4.858 -17.800 -2.671 1.00 61.04 C ATOM 1132 O LYS A 72 -5.689 -18.676 -2.904 1.00 54.10 O ATOM 1133 CB LYS A 72 -3.456 -17.605 -0.592 1.00 32.45 C ATOM 1134 CG LYS A 72 -4.601 -18.070 0.305 1.00 35.22 C ATOM 1135 CD LYS A 72 -4.454 -17.524 1.725 1.00 52.01 C ATOM 1136 CE LYS A 72 -5.610 -17.947 2.625 1.00 12.23 C ATOM 1137 NZ LYS A 72 -5.423 -17.476 4.024 1.00 34.25 N ATOM 0 H LYS A 72 -1.658 -17.163 -2.225 1.00 13.22 H new ATOM 0 HA LYS A 72 -3.420 -19.238 -2.018 1.00 1.21 H new ATOM 0 HB2 LYS A 72 -2.511 -17.902 -0.137 1.00 32.45 H new ATOM 0 HB3 LYS A 72 -3.462 -16.516 -0.631 1.00 32.45 H new ATOM 0 HG2 LYS A 72 -5.551 -17.742 -0.116 1.00 35.22 H new ATOM 0 HG3 LYS A 72 -4.624 -19.159 0.333 1.00 35.22 H new ATOM 0 HD2 LYS A 72 -3.515 -17.875 2.153 1.00 52.01 H new ATOM 0 HD3 LYS A 72 -4.401 -16.436 1.691 1.00 52.01 H new ATOM 0 HE2 LYS A 72 -6.544 -17.548 2.229 1.00 12.23 H new ATOM 0 HE3 LYS A 72 -5.699 -19.033 2.616 1.00 12.23 H new ATOM 0 HZ1 LYS A 72 -6.229 -17.783 4.604 1.00 34.25 H new ATOM 0 HZ2 LYS A 72 -4.545 -17.877 4.411 1.00 34.25 H new ATOM 0 HZ3 LYS A 72 -5.364 -16.438 4.036 1.00 34.25 H new ATOM 1151 N LEU A 73 -5.060 -16.516 -2.972 1.00 41.34 N ATOM 1152 CA LEU A 73 -6.314 -16.049 -3.586 1.00 22.20 C ATOM 1153 C LEU A 73 -6.167 -15.815 -5.105 1.00 54.02 C ATOM 1154 O LEU A 73 -7.038 -15.219 -5.737 1.00 55.33 O ATOM 1155 CB LEU A 73 -6.866 -14.784 -2.868 1.00 73.14 C ATOM 1156 CG LEU A 73 -5.901 -13.592 -2.608 1.00 5.24 C ATOM 1157 CD1 LEU A 73 -4.827 -13.944 -1.580 1.00 61.52 C ATOM 1158 CD2 LEU A 73 -5.267 -13.080 -3.901 1.00 23.51 C ATOM 0 H LEU A 73 -4.376 -15.779 -2.803 1.00 41.34 H new ATOM 0 HA LEU A 73 -7.044 -16.848 -3.456 1.00 22.20 H new ATOM 0 HB2 LEU A 73 -7.703 -14.409 -3.456 1.00 73.14 H new ATOM 0 HB3 LEU A 73 -7.269 -15.099 -1.905 1.00 73.14 H new ATOM 0 HG LEU A 73 -6.507 -12.786 -2.194 1.00 5.24 H new ATOM 0 HD11 LEU A 73 -4.174 -13.085 -1.427 1.00 61.52 H new ATOM 0 HD12 LEU A 73 -5.301 -14.212 -0.636 1.00 61.52 H new ATOM 0 HD13 LEU A 73 -4.239 -14.787 -1.943 1.00 61.52 H new ATOM 0 HD21 LEU A 73 -4.600 -12.248 -3.675 1.00 23.51 H new ATOM 0 HD22 LEU A 73 -4.699 -13.883 -4.370 1.00 23.51 H new ATOM 0 HD23 LEU A 73 -6.049 -12.743 -4.581 1.00 23.51 H new ATOM 1170 N LEU A 74 -5.055 -16.275 -5.682 1.00 64.42 N ATOM 1171 CA LEU A 74 -4.867 -16.238 -7.140 1.00 75.35 C ATOM 1172 C LEU A 74 -5.643 -17.405 -7.798 1.00 4.43 C ATOM 1173 O LEU A 74 -5.479 -18.562 -7.398 1.00 41.30 O ATOM 1174 CB LEU A 74 -3.355 -16.322 -7.459 1.00 72.14 C ATOM 1175 CG LEU A 74 -2.894 -15.846 -8.858 1.00 51.11 C ATOM 1176 CD1 LEU A 74 -3.350 -16.795 -9.964 1.00 64.32 C ATOM 1177 CD2 LEU A 74 -3.379 -14.423 -9.130 1.00 63.05 C ATOM 0 H LEU A 74 -4.272 -16.677 -5.167 1.00 64.42 H new ATOM 0 HA LEU A 74 -5.257 -15.304 -7.544 1.00 75.35 H new ATOM 0 HB2 LEU A 74 -2.820 -15.737 -6.711 1.00 72.14 H new ATOM 0 HB3 LEU A 74 -3.042 -17.359 -7.336 1.00 72.14 H new ATOM 0 HG LEU A 74 -1.804 -15.849 -8.860 1.00 51.11 H new ATOM 0 HD11 LEU A 74 -3.005 -16.422 -10.928 1.00 64.32 H new ATOM 0 HD12 LEU A 74 -2.933 -17.786 -9.788 1.00 64.32 H new ATOM 0 HD13 LEU A 74 -4.438 -16.854 -9.967 1.00 64.32 H new ATOM 0 HD21 LEU A 74 -3.045 -14.107 -10.118 1.00 63.05 H new ATOM 0 HD22 LEU A 74 -4.468 -14.396 -9.090 1.00 63.05 H new ATOM 0 HD23 LEU A 74 -2.971 -13.749 -8.376 1.00 63.05 H new ATOM 1189 N PRO A 75 -6.512 -17.117 -8.799 1.00 23.54 N ATOM 1190 CA PRO A 75 -7.321 -18.151 -9.493 1.00 5.45 C ATOM 1191 C PRO A 75 -6.483 -19.291 -10.111 1.00 45.23 C ATOM 1192 O PRO A 75 -5.250 -19.258 -10.103 1.00 61.13 O ATOM 1193 CB PRO A 75 -8.059 -17.358 -10.591 1.00 73.21 C ATOM 1194 CG PRO A 75 -7.320 -16.065 -10.707 1.00 40.33 C ATOM 1195 CD PRO A 75 -6.795 -15.773 -9.330 1.00 30.24 C ATOM 0 HA PRO A 75 -7.982 -18.663 -8.794 1.00 5.45 H new ATOM 0 HB2 PRO A 75 -8.055 -17.899 -11.537 1.00 73.21 H new ATOM 0 HB3 PRO A 75 -9.102 -17.192 -10.323 1.00 73.21 H new ATOM 0 HG2 PRO A 75 -6.506 -16.142 -11.428 1.00 40.33 H new ATOM 0 HG3 PRO A 75 -7.978 -15.268 -11.053 1.00 40.33 H new ATOM 0 HD2 PRO A 75 -5.899 -15.153 -9.361 1.00 30.24 H new ATOM 0 HD3 PRO A 75 -7.528 -15.243 -8.721 1.00 30.24 H new ATOM 1203 N TYR A 76 -7.157 -20.306 -10.656 1.00 65.23 N ATOM 1204 CA TYR A 76 -6.458 -21.472 -11.202 1.00 10.20 C ATOM 1205 C TYR A 76 -5.977 -21.212 -12.639 1.00 73.44 C ATOM 1206 O TYR A 76 -6.719 -21.415 -13.605 1.00 55.55 O ATOM 1207 CB TYR A 76 -7.377 -22.706 -11.192 1.00 2.43 C ATOM 1208 CG TYR A 76 -8.045 -22.987 -9.857 1.00 42.15 C ATOM 1209 CD1 TYR A 76 -7.399 -23.724 -8.870 1.00 25.50 C ATOM 1210 CD2 TYR A 76 -9.330 -22.525 -9.592 1.00 62.15 C ATOM 1211 CE1 TYR A 76 -8.014 -23.990 -7.661 1.00 54.34 C ATOM 1212 CE2 TYR A 76 -9.951 -22.790 -8.388 1.00 60.32 C ATOM 1213 CZ TYR A 76 -9.289 -23.522 -7.426 1.00 4.43 C ATOM 1214 OH TYR A 76 -9.909 -23.789 -6.226 1.00 2.31 O ATOM 0 H TYR A 76 -8.173 -20.345 -10.731 1.00 65.23 H new ATOM 0 HA TYR A 76 -5.590 -21.658 -10.569 1.00 10.20 H new ATOM 0 HB2 TYR A 76 -8.150 -22.573 -11.949 1.00 2.43 H new ATOM 0 HB3 TYR A 76 -6.793 -23.580 -11.482 1.00 2.43 H new ATOM 0 HD1 TYR A 76 -6.401 -24.094 -9.051 1.00 25.50 H new ATOM 0 HD2 TYR A 76 -9.851 -21.948 -10.342 1.00 62.15 H new ATOM 0 HE1 TYR A 76 -7.498 -24.562 -6.904 1.00 54.34 H new ATOM 0 HE2 TYR A 76 -10.950 -22.426 -8.201 1.00 60.32 H new ATOM 0 HH TYR A 76 -10.802 -23.386 -6.223 1.00 2.31 H new ATOM 1224 N ASP A 77 -4.732 -20.765 -12.775 1.00 14.14 N ATOM 1225 CA ASP A 77 -4.089 -20.622 -14.085 1.00 24.05 C ATOM 1226 C ASP A 77 -2.813 -21.474 -14.151 1.00 62.00 C ATOM 1227 O ASP A 77 -1.762 -21.072 -13.658 1.00 10.25 O ATOM 1228 CB ASP A 77 -3.786 -19.148 -14.379 1.00 15.52 C ATOM 1229 CG ASP A 77 -5.054 -18.338 -14.603 1.00 32.31 C ATOM 1230 OD1 ASP A 77 -5.553 -18.313 -15.747 1.00 55.41 O ATOM 1231 OD2 ASP A 77 -5.567 -17.735 -13.637 1.00 74.43 O ATOM 0 H ASP A 77 -4.141 -20.493 -11.989 1.00 14.14 H new ATOM 0 HA ASP A 77 -4.776 -20.982 -14.851 1.00 24.05 H new ATOM 0 HB2 ASP A 77 -3.225 -18.721 -13.548 1.00 15.52 H new ATOM 0 HB3 ASP A 77 -3.151 -19.078 -15.262 1.00 15.52 H new ATOM 1236 N LYS A 78 -2.922 -22.652 -14.765 1.00 64.30 N ATOM 1237 CA LYS A 78 -1.851 -23.662 -14.743 1.00 72.34 C ATOM 1238 C LYS A 78 -0.476 -23.100 -15.170 1.00 33.23 C ATOM 1239 O LYS A 78 0.408 -22.918 -14.333 1.00 43.04 O ATOM 1240 CB LYS A 78 -2.240 -24.853 -15.634 1.00 64.32 C ATOM 1241 CG LYS A 78 -1.325 -26.069 -15.494 1.00 1.14 C ATOM 1242 CD LYS A 78 -1.331 -26.625 -14.071 1.00 24.11 C ATOM 1243 CE LYS A 78 -0.560 -27.937 -13.976 1.00 60.01 C ATOM 1244 NZ LYS A 78 0.870 -27.778 -14.354 1.00 3.33 N ATOM 0 H LYS A 78 -3.748 -22.937 -15.290 1.00 64.30 H new ATOM 0 HA LYS A 78 -1.743 -23.989 -13.709 1.00 72.34 H new ATOM 0 HB2 LYS A 78 -3.261 -25.152 -15.396 1.00 64.32 H new ATOM 0 HB3 LYS A 78 -2.238 -24.529 -16.675 1.00 64.32 H new ATOM 0 HG2 LYS A 78 -1.645 -26.846 -16.189 1.00 1.14 H new ATOM 0 HG3 LYS A 78 -0.308 -25.792 -15.771 1.00 1.14 H new ATOM 0 HD2 LYS A 78 -0.891 -25.894 -13.393 1.00 24.11 H new ATOM 0 HD3 LYS A 78 -2.359 -26.783 -13.746 1.00 24.11 H new ATOM 0 HE2 LYS A 78 -0.624 -28.321 -12.958 1.00 60.01 H new ATOM 0 HE3 LYS A 78 -1.026 -28.678 -14.626 1.00 60.01 H new ATOM 0 HZ1 LYS A 78 1.373 -28.674 -14.194 1.00 3.33 H new ATOM 0 HZ2 LYS A 78 0.937 -27.518 -15.359 1.00 3.33 H new ATOM 0 HZ3 LYS A 78 1.301 -27.030 -13.774 1.00 3.33 H new ATOM 1258 N ARG A 79 -0.297 -22.827 -16.466 1.00 42.41 N ATOM 1259 CA ARG A 79 0.998 -22.353 -16.985 1.00 41.14 C ATOM 1260 C ARG A 79 1.431 -21.019 -16.343 1.00 55.11 C ATOM 1261 O ARG A 79 2.610 -20.830 -16.016 1.00 43.03 O ATOM 1262 CB ARG A 79 0.941 -22.210 -18.514 1.00 20.41 C ATOM 1263 CG ARG A 79 2.261 -21.774 -19.143 1.00 21.03 C ATOM 1264 CD ARG A 79 2.200 -21.774 -20.668 1.00 25.20 C ATOM 1265 NE ARG A 79 2.007 -23.117 -21.219 1.00 74.15 N ATOM 1266 CZ ARG A 79 2.575 -23.548 -22.320 1.00 40.33 C ATOM 1267 NH1 ARG A 79 3.393 -22.790 -22.987 1.00 5.43 N ATOM 1268 NH2 ARG A 79 2.335 -24.745 -22.748 1.00 22.44 N ATOM 0 H ARG A 79 -1.025 -22.924 -17.174 1.00 42.41 H new ATOM 0 HA ARG A 79 1.745 -23.101 -16.719 1.00 41.14 H new ATOM 0 HB2 ARG A 79 0.641 -23.164 -18.948 1.00 20.41 H new ATOM 0 HB3 ARG A 79 0.169 -21.485 -18.773 1.00 20.41 H new ATOM 0 HG2 ARG A 79 2.517 -20.775 -18.791 1.00 21.03 H new ATOM 0 HG3 ARG A 79 3.057 -22.441 -18.813 1.00 21.03 H new ATOM 0 HD2 ARG A 79 1.385 -21.129 -20.996 1.00 25.20 H new ATOM 0 HD3 ARG A 79 3.122 -21.350 -21.066 1.00 25.20 H new ATOM 0 HE ARG A 79 1.393 -23.757 -20.715 1.00 74.15 H new ATOM 0 HH11 ARG A 79 3.600 -21.848 -22.656 1.00 5.43 H new ATOM 0 HH12 ARG A 79 3.828 -23.137 -23.842 1.00 5.43 H new ATOM 0 HH21 ARG A 79 1.703 -25.355 -22.229 1.00 22.44 H new ATOM 0 HH22 ARG A 79 2.777 -25.079 -23.604 1.00 22.44 H new ATOM 1282 N LEU A 80 0.481 -20.103 -16.161 1.00 33.43 N ATOM 1283 CA LEU A 80 0.771 -18.792 -15.564 1.00 12.30 C ATOM 1284 C LEU A 80 1.324 -18.948 -14.138 1.00 5.32 C ATOM 1285 O LEU A 80 2.490 -18.633 -13.877 1.00 61.05 O ATOM 1286 CB LEU A 80 -0.489 -17.907 -15.546 1.00 14.31 C ATOM 1287 CG LEU A 80 -0.975 -17.390 -16.917 1.00 44.21 C ATOM 1288 CD1 LEU A 80 -1.443 -18.536 -17.815 1.00 53.13 C ATOM 1289 CD2 LEU A 80 -2.089 -16.360 -16.734 1.00 22.21 C ATOM 0 H LEU A 80 -0.497 -20.241 -16.417 1.00 33.43 H new ATOM 0 HA LEU A 80 1.529 -18.308 -16.180 1.00 12.30 H new ATOM 0 HB2 LEU A 80 -1.299 -18.473 -15.086 1.00 14.31 H new ATOM 0 HB3 LEU A 80 -0.296 -17.048 -14.904 1.00 14.31 H new ATOM 0 HG LEU A 80 -0.130 -16.909 -17.410 1.00 44.21 H new ATOM 0 HD11 LEU A 80 -1.778 -18.135 -18.772 1.00 53.13 H new ATOM 0 HD12 LEU A 80 -0.618 -19.229 -17.981 1.00 53.13 H new ATOM 0 HD13 LEU A 80 -2.267 -19.062 -17.333 1.00 53.13 H new ATOM 0 HD21 LEU A 80 -2.421 -16.005 -17.710 1.00 22.21 H new ATOM 0 HD22 LEU A 80 -2.927 -16.820 -16.211 1.00 22.21 H new ATOM 0 HD23 LEU A 80 -1.715 -15.519 -16.150 1.00 22.21 H new ATOM 1301 N ALA A 81 0.488 -19.463 -13.232 1.00 23.25 N ATOM 1302 CA ALA A 81 0.882 -19.676 -11.832 1.00 32.33 C ATOM 1303 C ALA A 81 2.168 -20.505 -11.728 1.00 72.40 C ATOM 1304 O ALA A 81 3.017 -20.241 -10.878 1.00 64.02 O ATOM 1305 CB ALA A 81 -0.246 -20.349 -11.054 1.00 25.34 C ATOM 0 H ALA A 81 -0.470 -19.742 -13.442 1.00 23.25 H new ATOM 0 HA ALA A 81 1.079 -18.698 -11.393 1.00 32.33 H new ATOM 0 HB1 ALA A 81 0.064 -20.499 -10.020 1.00 25.34 H new ATOM 0 HB2 ALA A 81 -1.133 -19.716 -11.079 1.00 25.34 H new ATOM 0 HB3 ALA A 81 -0.475 -21.313 -11.507 1.00 25.34 H new ATOM 1311 N TRP A 82 2.302 -21.506 -12.602 1.00 10.33 N ATOM 1312 CA TRP A 82 3.519 -22.325 -12.669 1.00 63.42 C ATOM 1313 C TRP A 82 4.781 -21.455 -12.725 1.00 4.04 C ATOM 1314 O TRP A 82 5.684 -21.594 -11.897 1.00 13.02 O ATOM 1315 CB TRP A 82 3.478 -23.248 -13.898 1.00 75.40 C ATOM 1316 CG TRP A 82 4.765 -23.995 -14.129 1.00 42.03 C ATOM 1317 CD1 TRP A 82 5.815 -23.600 -14.913 1.00 2.33 C ATOM 1318 CD2 TRP A 82 5.141 -25.258 -13.567 1.00 63.05 C ATOM 1319 NE1 TRP A 82 6.819 -24.532 -14.860 1.00 40.42 N ATOM 1320 CE2 TRP A 82 6.430 -25.561 -14.045 1.00 35.51 C ATOM 1321 CE3 TRP A 82 4.516 -26.160 -12.703 1.00 24.03 C ATOM 1322 CZ2 TRP A 82 7.102 -26.727 -13.689 1.00 55.24 C ATOM 1323 CZ3 TRP A 82 5.184 -27.316 -12.350 1.00 44.54 C ATOM 1324 CH2 TRP A 82 6.466 -27.590 -12.842 1.00 44.24 C ATOM 0 H TRP A 82 1.582 -21.770 -13.275 1.00 10.33 H new ATOM 0 HA TRP A 82 3.557 -22.928 -11.761 1.00 63.42 H new ATOM 0 HB2 TRP A 82 2.667 -23.966 -13.777 1.00 75.40 H new ATOM 0 HB3 TRP A 82 3.248 -22.653 -14.782 1.00 75.40 H new ATOM 0 HD1 TRP A 82 5.848 -22.687 -15.489 1.00 2.33 H new ATOM 0 HE1 TRP A 82 7.712 -24.469 -15.349 1.00 40.42 H new ATOM 0 HE3 TRP A 82 3.528 -25.957 -12.318 1.00 24.03 H new ATOM 0 HZ2 TRP A 82 8.090 -26.942 -14.069 1.00 55.24 H new ATOM 0 HZ3 TRP A 82 4.710 -28.021 -11.683 1.00 44.54 H new ATOM 0 HH2 TRP A 82 6.962 -28.502 -12.546 1.00 44.24 H new ATOM 1335 N HIS A 83 4.830 -20.543 -13.696 1.00 34.11 N ATOM 1336 CA HIS A 83 6.015 -19.701 -13.886 1.00 42.24 C ATOM 1337 C HIS A 83 6.248 -18.778 -12.686 1.00 20.40 C ATOM 1338 O HIS A 83 7.355 -18.712 -12.155 1.00 63.13 O ATOM 1339 CB HIS A 83 5.898 -18.879 -15.174 1.00 32.21 C ATOM 1340 CG HIS A 83 6.119 -19.684 -16.421 1.00 61.31 C ATOM 1341 ND1 HIS A 83 5.237 -20.644 -16.870 1.00 21.01 N ATOM 1342 CD2 HIS A 83 7.136 -19.669 -17.317 1.00 30.15 C ATOM 1343 CE1 HIS A 83 5.700 -21.183 -17.979 1.00 25.32 C ATOM 1344 NE2 HIS A 83 6.847 -20.610 -18.273 1.00 5.32 N ATOM 0 H HIS A 83 4.073 -20.368 -14.357 1.00 34.11 H new ATOM 0 HA HIS A 83 6.876 -20.364 -13.971 1.00 42.24 H new ATOM 0 HB2 HIS A 83 4.909 -18.423 -15.216 1.00 32.21 H new ATOM 0 HB3 HIS A 83 6.623 -18.065 -15.143 1.00 32.21 H new ATOM 0 HD1 HIS A 83 4.361 -20.898 -16.414 1.00 21.01 H new ATOM 0 HD2 HIS A 83 8.010 -19.035 -17.285 1.00 30.15 H new ATOM 0 HE1 HIS A 83 5.219 -21.963 -18.550 1.00 25.32 H new ATOM 1353 N PHE A 84 5.203 -18.076 -12.255 1.00 4.35 N ATOM 1354 CA PHE A 84 5.318 -17.141 -11.128 1.00 34.24 C ATOM 1355 C PHE A 84 5.771 -17.856 -9.840 1.00 10.41 C ATOM 1356 O PHE A 84 6.533 -17.298 -9.042 1.00 43.21 O ATOM 1357 CB PHE A 84 3.993 -16.398 -10.916 1.00 1.44 C ATOM 1358 CG PHE A 84 3.618 -15.525 -12.094 1.00 14.31 C ATOM 1359 CD1 PHE A 84 4.409 -14.438 -12.446 1.00 32.15 C ATOM 1360 CD2 PHE A 84 2.486 -15.790 -12.850 1.00 40.12 C ATOM 1361 CE1 PHE A 84 4.078 -13.639 -13.523 1.00 11.33 C ATOM 1362 CE2 PHE A 84 2.152 -14.991 -13.929 1.00 51.01 C ATOM 1363 CZ PHE A 84 2.948 -13.915 -14.266 1.00 11.14 C ATOM 0 H PHE A 84 4.270 -18.133 -12.663 1.00 4.35 H new ATOM 0 HA PHE A 84 6.088 -16.409 -11.373 1.00 34.24 H new ATOM 0 HB2 PHE A 84 3.199 -17.123 -10.739 1.00 1.44 H new ATOM 0 HB3 PHE A 84 4.066 -15.781 -10.021 1.00 1.44 H new ATOM 0 HD1 PHE A 84 5.295 -14.215 -11.870 1.00 32.15 H new ATOM 0 HD2 PHE A 84 1.858 -16.630 -12.593 1.00 40.12 H new ATOM 0 HE1 PHE A 84 4.704 -12.798 -13.784 1.00 11.33 H new ATOM 0 HE2 PHE A 84 1.267 -15.210 -14.508 1.00 51.01 H new ATOM 0 HZ PHE A 84 2.688 -13.291 -15.108 1.00 11.14 H new ATOM 1373 N LYS A 85 5.318 -19.099 -9.656 1.00 71.23 N ATOM 1374 CA LYS A 85 5.795 -19.940 -8.551 1.00 64.41 C ATOM 1375 C LYS A 85 7.302 -20.217 -8.683 1.00 10.25 C ATOM 1376 O LYS A 85 8.054 -20.069 -7.720 1.00 73.33 O ATOM 1377 CB LYS A 85 5.015 -21.268 -8.491 1.00 23.21 C ATOM 1378 CG LYS A 85 3.585 -21.128 -7.963 1.00 70.14 C ATOM 1379 CD LYS A 85 2.776 -22.413 -8.154 1.00 20.41 C ATOM 1380 CE LYS A 85 3.378 -23.603 -7.407 1.00 22.52 C ATOM 1381 NZ LYS A 85 3.305 -23.439 -5.930 1.00 62.31 N ATOM 0 H LYS A 85 4.624 -19.546 -10.255 1.00 71.23 H new ATOM 0 HA LYS A 85 5.622 -19.396 -7.623 1.00 64.41 H new ATOM 0 HB2 LYS A 85 4.981 -21.703 -9.490 1.00 23.21 H new ATOM 0 HB3 LYS A 85 5.558 -21.968 -7.857 1.00 23.21 H new ATOM 0 HG2 LYS A 85 3.613 -20.871 -6.904 1.00 70.14 H new ATOM 0 HG3 LYS A 85 3.087 -20.306 -8.478 1.00 70.14 H new ATOM 0 HD2 LYS A 85 1.755 -22.250 -7.808 1.00 20.41 H new ATOM 0 HD3 LYS A 85 2.719 -22.647 -9.217 1.00 20.41 H new ATOM 0 HE2 LYS A 85 2.853 -24.513 -7.695 1.00 22.52 H new ATOM 0 HE3 LYS A 85 4.419 -23.727 -7.705 1.00 22.52 H new ATOM 0 HZ1 LYS A 85 4.263 -23.488 -5.527 1.00 62.31 H new ATOM 0 HZ2 LYS A 85 2.882 -22.516 -5.704 1.00 62.31 H new ATOM 0 HZ3 LYS A 85 2.720 -24.197 -5.525 1.00 62.31 H new ATOM 1395 N GLU A 86 7.742 -20.604 -9.883 1.00 14.51 N ATOM 1396 CA GLU A 86 9.164 -20.880 -10.121 1.00 20.24 C ATOM 1397 C GLU A 86 10.008 -19.593 -10.106 1.00 2.32 C ATOM 1398 O GLU A 86 11.220 -19.644 -9.892 1.00 60.32 O ATOM 1399 CB GLU A 86 9.373 -21.638 -11.446 1.00 2.22 C ATOM 1400 CG GLU A 86 8.706 -23.015 -11.484 1.00 5.13 C ATOM 1401 CD GLU A 86 9.441 -24.011 -12.379 1.00 41.04 C ATOM 1402 OE1 GLU A 86 9.280 -23.952 -13.615 1.00 43.02 O ATOM 1403 OE2 GLU A 86 10.196 -24.854 -11.837 1.00 20.12 O ATOM 0 H GLU A 86 7.143 -20.733 -10.698 1.00 14.51 H new ATOM 0 HA GLU A 86 9.503 -21.514 -9.302 1.00 20.24 H new ATOM 0 HB2 GLU A 86 8.983 -21.033 -12.265 1.00 2.22 H new ATOM 0 HB3 GLU A 86 10.442 -21.758 -11.620 1.00 2.22 H new ATOM 0 HG2 GLU A 86 8.654 -23.415 -10.471 1.00 5.13 H new ATOM 0 HG3 GLU A 86 7.681 -22.906 -11.837 1.00 5.13 H new ATOM 1410 N PHE A 87 9.368 -18.444 -10.334 1.00 3.13 N ATOM 1411 CA PHE A 87 10.059 -17.147 -10.275 1.00 21.21 C ATOM 1412 C PHE A 87 10.447 -16.762 -8.837 1.00 43.43 C ATOM 1413 O PHE A 87 11.628 -16.756 -8.483 1.00 14.51 O ATOM 1414 CB PHE A 87 9.202 -16.021 -10.891 1.00 30.32 C ATOM 1415 CG PHE A 87 9.301 -15.901 -12.397 1.00 24.43 C ATOM 1416 CD1 PHE A 87 10.524 -15.647 -13.004 1.00 3.33 C ATOM 1417 CD2 PHE A 87 8.177 -16.031 -13.202 1.00 15.24 C ATOM 1418 CE1 PHE A 87 10.622 -15.531 -14.378 1.00 54.12 C ATOM 1419 CE2 PHE A 87 8.271 -15.914 -14.577 1.00 63.13 C ATOM 1420 CZ PHE A 87 9.493 -15.664 -15.164 1.00 63.15 C ATOM 0 H PHE A 87 8.375 -18.382 -10.561 1.00 3.13 H new ATOM 0 HA PHE A 87 10.971 -17.263 -10.860 1.00 21.21 H new ATOM 0 HB2 PHE A 87 8.159 -16.188 -10.621 1.00 30.32 H new ATOM 0 HB3 PHE A 87 9.498 -15.072 -10.444 1.00 30.32 H new ATOM 0 HD1 PHE A 87 11.409 -15.539 -12.395 1.00 3.33 H new ATOM 0 HD2 PHE A 87 7.217 -16.226 -12.748 1.00 15.24 H new ATOM 0 HE1 PHE A 87 11.580 -15.337 -14.837 1.00 54.12 H new ATOM 0 HE2 PHE A 87 7.388 -16.018 -15.190 1.00 63.13 H new ATOM 0 HZ PHE A 87 9.568 -15.572 -16.237 1.00 63.15 H new ATOM 1430 N CYS A 88 9.452 -16.400 -8.023 1.00 11.12 N ATOM 1431 CA CYS A 88 9.714 -15.862 -6.672 1.00 24.41 C ATOM 1432 C CYS A 88 9.347 -16.837 -5.533 1.00 65.45 C ATOM 1433 O CYS A 88 9.776 -16.655 -4.395 1.00 13.12 O ATOM 1434 CB CYS A 88 8.957 -14.542 -6.487 1.00 34.12 C ATOM 1435 SG CYS A 88 9.393 -13.637 -4.985 1.00 74.23 S ATOM 0 H CYS A 88 8.464 -16.466 -8.266 1.00 11.12 H new ATOM 0 HA CYS A 88 10.790 -15.703 -6.606 1.00 24.41 H new ATOM 0 HB2 CYS A 88 9.148 -13.904 -7.350 1.00 34.12 H new ATOM 0 HB3 CYS A 88 7.887 -14.749 -6.474 1.00 34.12 H new ATOM 0 HG CYS A 88 8.361 -13.583 -4.196 1.00 74.23 H new ATOM 1441 N TYR A 89 8.564 -17.875 -5.830 1.00 22.43 N ATOM 1442 CA TYR A 89 8.001 -18.738 -4.775 1.00 40.24 C ATOM 1443 C TYR A 89 8.819 -20.035 -4.582 1.00 25.13 C ATOM 1444 O TYR A 89 8.313 -21.030 -4.054 1.00 73.43 O ATOM 1445 CB TYR A 89 6.534 -19.066 -5.107 1.00 33.13 C ATOM 1446 CG TYR A 89 5.725 -19.587 -3.931 1.00 52.41 C ATOM 1447 CD1 TYR A 89 5.634 -18.855 -2.755 1.00 65.33 C ATOM 1448 CD2 TYR A 89 5.038 -20.794 -4.005 1.00 73.40 C ATOM 1449 CE1 TYR A 89 4.887 -19.306 -1.686 1.00 61.41 C ATOM 1450 CE2 TYR A 89 4.290 -21.254 -2.937 1.00 24.21 C ATOM 1451 CZ TYR A 89 4.216 -20.505 -1.781 1.00 50.01 C ATOM 1452 OH TYR A 89 3.461 -20.952 -0.715 1.00 22.22 O ATOM 0 H TYR A 89 8.304 -18.142 -6.779 1.00 22.43 H new ATOM 0 HA TYR A 89 8.050 -18.192 -3.833 1.00 40.24 H new ATOM 0 HB2 TYR A 89 6.052 -18.168 -5.494 1.00 33.13 H new ATOM 0 HB3 TYR A 89 6.512 -19.809 -5.905 1.00 33.13 H new ATOM 0 HD1 TYR A 89 6.158 -17.914 -2.675 1.00 65.33 H new ATOM 0 HD2 TYR A 89 5.090 -21.381 -4.910 1.00 73.40 H new ATOM 0 HE1 TYR A 89 4.829 -18.722 -0.780 1.00 61.41 H new ATOM 0 HE2 TYR A 89 3.766 -22.196 -3.008 1.00 24.21 H new ATOM 0 HH TYR A 89 2.791 -20.276 -0.483 1.00 22.22 H new ATOM 1462 N LYS A 90 10.087 -20.018 -4.994 1.00 13.33 N ATOM 1463 CA LYS A 90 10.988 -21.169 -4.807 1.00 21.24 C ATOM 1464 C LYS A 90 11.911 -20.974 -3.591 1.00 2.30 C ATOM 1465 O LYS A 90 12.265 -19.851 -3.234 1.00 40.11 O ATOM 1466 CB LYS A 90 11.850 -21.394 -6.062 1.00 21.34 C ATOM 1467 CG LYS A 90 11.098 -21.977 -7.255 1.00 70.45 C ATOM 1468 CD LYS A 90 10.586 -23.388 -6.967 1.00 65.10 C ATOM 1469 CE LYS A 90 10.020 -24.058 -8.216 1.00 31.44 C ATOM 1470 NZ LYS A 90 11.061 -24.250 -9.260 1.00 30.31 N ATOM 0 H LYS A 90 10.519 -19.221 -5.461 1.00 13.33 H new ATOM 0 HA LYS A 90 10.359 -22.042 -4.632 1.00 21.24 H new ATOM 0 HB2 LYS A 90 12.292 -20.443 -6.358 1.00 21.34 H new ATOM 0 HB3 LYS A 90 12.673 -22.062 -5.806 1.00 21.34 H new ATOM 0 HG2 LYS A 90 10.258 -21.330 -7.507 1.00 70.45 H new ATOM 0 HG3 LYS A 90 11.756 -21.999 -8.124 1.00 70.45 H new ATOM 0 HD2 LYS A 90 11.399 -23.994 -6.568 1.00 65.10 H new ATOM 0 HD3 LYS A 90 9.814 -23.344 -6.198 1.00 65.10 H new ATOM 0 HE2 LYS A 90 9.592 -25.024 -7.948 1.00 31.44 H new ATOM 0 HE3 LYS A 90 9.209 -23.451 -8.619 1.00 31.44 H new ATOM 0 HZ1 LYS A 90 10.605 -24.466 -10.169 1.00 30.31 H new ATOM 0 HZ2 LYS A 90 11.624 -23.381 -9.353 1.00 30.31 H new ATOM 0 HZ3 LYS A 90 11.683 -25.038 -8.989 1.00 30.31 H new ATOM 1484 N THR A 91 12.308 -22.080 -2.962 1.00 41.42 N ATOM 1485 CA THR A 91 13.283 -22.032 -1.860 1.00 74.43 C ATOM 1486 C THR A 91 14.711 -22.197 -2.395 1.00 42.41 C ATOM 1487 O THR A 91 15.686 -22.161 -1.642 1.00 55.01 O ATOM 1488 CB THR A 91 13.011 -23.122 -0.789 1.00 32.52 C ATOM 1489 OG1 THR A 91 13.962 -23.020 0.289 1.00 71.35 O ATOM 1490 CG2 THR A 91 13.076 -24.521 -1.391 1.00 41.24 C ATOM 0 H THR A 91 11.975 -23.017 -3.191 1.00 41.42 H new ATOM 0 HA THR A 91 13.175 -21.056 -1.388 1.00 74.43 H new ATOM 0 HB THR A 91 12.005 -22.956 -0.403 1.00 32.52 H new ATOM 0 HG1 THR A 91 14.794 -22.625 -0.045 1.00 71.35 H new ATOM 0 HG21 THR A 91 12.881 -25.261 -0.614 1.00 41.24 H new ATOM 0 HG22 THR A 91 12.327 -24.614 -2.177 1.00 41.24 H new ATOM 0 HG23 THR A 91 14.067 -24.690 -1.812 1.00 41.24 H new ATOM 1498 N SER A 92 14.821 -22.388 -3.708 1.00 34.45 N ATOM 1499 CA SER A 92 16.118 -22.528 -4.379 1.00 55.24 C ATOM 1500 C SER A 92 16.834 -21.177 -4.500 1.00 4.44 C ATOM 1501 O SER A 92 16.199 -20.120 -4.493 1.00 22.32 O ATOM 1502 CB SER A 92 15.930 -23.146 -5.772 1.00 54.34 C ATOM 1503 OG SER A 92 15.287 -24.413 -5.686 1.00 44.34 O ATOM 0 H SER A 92 14.020 -22.450 -4.337 1.00 34.45 H new ATOM 0 HA SER A 92 16.738 -23.187 -3.772 1.00 55.24 H new ATOM 0 HB2 SER A 92 15.338 -22.475 -6.394 1.00 54.34 H new ATOM 0 HB3 SER A 92 16.899 -23.258 -6.258 1.00 54.34 H new ATOM 0 HG SER A 92 15.177 -24.786 -6.586 1.00 44.34 H new ATOM 1509 N ALA A 93 18.158 -21.220 -4.608 1.00 73.34 N ATOM 1510 CA ALA A 93 18.973 -20.006 -4.725 1.00 4.41 C ATOM 1511 C ALA A 93 20.225 -20.257 -5.578 1.00 32.45 C ATOM 1512 O ALA A 93 20.577 -21.406 -5.847 1.00 1.35 O ATOM 1513 CB ALA A 93 19.368 -19.502 -3.339 1.00 33.21 C ATOM 0 H ALA A 93 18.696 -22.086 -4.617 1.00 73.34 H new ATOM 0 HA ALA A 93 18.375 -19.243 -5.224 1.00 4.41 H new ATOM 0 HB1 ALA A 93 19.973 -18.601 -3.438 1.00 33.21 H new ATOM 0 HB2 ALA A 93 18.470 -19.275 -2.765 1.00 33.21 H new ATOM 0 HB3 ALA A 93 19.944 -20.270 -2.823 1.00 33.21 H new ATOM 1519 N HIS A 94 20.878 -19.170 -6.005 1.00 4.42 N ATOM 1520 CA HIS A 94 22.135 -19.238 -6.773 1.00 21.43 C ATOM 1521 C HIS A 94 21.917 -19.704 -8.231 1.00 13.54 C ATOM 1522 O HIS A 94 22.878 -19.863 -8.988 1.00 33.12 O ATOM 1523 CB HIS A 94 23.147 -20.152 -6.052 1.00 14.32 C ATOM 1524 CG HIS A 94 24.519 -20.160 -6.657 1.00 43.32 C ATOM 1525 ND1 HIS A 94 24.990 -21.183 -7.450 1.00 62.32 N ATOM 1526 CD2 HIS A 94 25.530 -19.265 -6.569 1.00 60.22 C ATOM 1527 CE1 HIS A 94 26.223 -20.920 -7.821 1.00 43.14 C ATOM 1528 NE2 HIS A 94 26.579 -19.763 -7.301 1.00 20.23 N ATOM 0 H HIS A 94 20.554 -18.219 -5.830 1.00 4.42 H new ATOM 0 HA HIS A 94 22.537 -18.226 -6.827 1.00 21.43 H new ATOM 0 HB2 HIS A 94 23.224 -19.837 -5.011 1.00 14.32 H new ATOM 0 HB3 HIS A 94 22.759 -21.171 -6.049 1.00 14.32 H new ATOM 0 HD1 HIS A 94 24.463 -22.017 -7.709 1.00 62.32 H new ATOM 0 HD2 HIS A 94 25.514 -18.333 -6.024 1.00 60.22 H new ATOM 0 HE1 HIS A 94 26.841 -21.547 -8.447 1.00 43.14 H new ATOM 1537 N GLY A 95 20.659 -19.898 -8.630 1.00 70.14 N ATOM 1538 CA GLY A 95 20.361 -20.326 -9.998 1.00 14.12 C ATOM 1539 C GLY A 95 19.379 -21.496 -10.073 1.00 31.51 C ATOM 1540 O GLY A 95 18.219 -21.362 -9.682 1.00 63.24 O ATOM 0 H GLY A 95 19.841 -19.768 -8.035 1.00 70.14 H new ATOM 0 HA2 GLY A 95 19.951 -19.482 -10.553 1.00 14.12 H new ATOM 0 HA3 GLY A 95 21.290 -20.610 -10.491 1.00 14.12 H new ATOM 1544 N ILE A 96 19.857 -22.640 -10.583 1.00 42.40 N ATOM 1545 CA ILE A 96 19.037 -23.858 -10.739 1.00 1.10 C ATOM 1546 C ILE A 96 17.970 -23.708 -11.850 1.00 23.22 C ATOM 1547 O ILE A 96 17.081 -22.857 -11.765 1.00 45.11 O ATOM 1548 CB ILE A 96 18.357 -24.274 -9.404 1.00 1.53 C ATOM 1549 CG1 ILE A 96 19.425 -24.617 -8.345 1.00 0.15 C ATOM 1550 CG2 ILE A 96 17.406 -25.455 -9.621 1.00 73.33 C ATOM 1551 CD1 ILE A 96 18.853 -25.016 -6.999 1.00 1.45 C ATOM 0 H ILE A 96 20.820 -22.751 -10.899 1.00 42.40 H new ATOM 0 HA ILE A 96 19.727 -24.648 -11.036 1.00 1.10 H new ATOM 0 HB ILE A 96 17.767 -23.433 -9.040 1.00 1.53 H new ATOM 0 HG12 ILE A 96 20.046 -25.431 -8.720 1.00 0.15 H new ATOM 0 HG13 ILE A 96 20.078 -23.755 -8.210 1.00 0.15 H new ATOM 0 HG21 ILE A 96 16.942 -25.728 -8.673 1.00 73.33 H new ATOM 0 HG22 ILE A 96 16.633 -25.173 -10.335 1.00 73.33 H new ATOM 0 HG23 ILE A 96 17.965 -26.306 -10.009 1.00 73.33 H new ATOM 0 HD11 ILE A 96 19.667 -25.241 -6.310 1.00 1.45 H new ATOM 0 HD12 ILE A 96 18.256 -24.196 -6.600 1.00 1.45 H new ATOM 0 HD13 ILE A 96 18.224 -25.898 -7.118 1.00 1.45 H new ATOM 1563 N PRO A 97 18.049 -24.541 -12.916 1.00 32.21 N ATOM 1564 CA PRO A 97 17.086 -24.504 -14.039 1.00 33.33 C ATOM 1565 C PRO A 97 15.636 -24.791 -13.610 1.00 34.25 C ATOM 1566 O PRO A 97 15.316 -25.887 -13.144 1.00 4.52 O ATOM 1567 CB PRO A 97 17.598 -25.601 -14.993 1.00 35.20 C ATOM 1568 CG PRO A 97 19.025 -25.811 -14.606 1.00 24.31 C ATOM 1569 CD PRO A 97 19.084 -25.570 -13.124 1.00 75.21 C ATOM 0 HA PRO A 97 17.042 -23.512 -14.489 1.00 33.33 H new ATOM 0 HB2 PRO A 97 17.020 -26.519 -14.886 1.00 35.20 H new ATOM 0 HB3 PRO A 97 17.513 -25.290 -16.034 1.00 35.20 H new ATOM 0 HG2 PRO A 97 19.353 -26.821 -14.852 1.00 24.31 H new ATOM 0 HG3 PRO A 97 19.681 -25.124 -15.141 1.00 24.31 H new ATOM 0 HD2 PRO A 97 18.871 -26.477 -12.558 1.00 75.21 H new ATOM 0 HD3 PRO A 97 20.068 -25.222 -12.810 1.00 75.21 H new ATOM 1577 N MET A 98 14.762 -23.800 -13.781 1.00 52.52 N ATOM 1578 CA MET A 98 13.348 -23.934 -13.412 1.00 10.15 C ATOM 1579 C MET A 98 12.506 -24.490 -14.576 1.00 2.43 C ATOM 1580 O MET A 98 12.206 -25.687 -14.621 1.00 72.34 O ATOM 1581 CB MET A 98 12.792 -22.579 -12.956 1.00 42.33 C ATOM 1582 CG MET A 98 13.521 -21.992 -11.755 1.00 22.34 C ATOM 1583 SD MET A 98 13.343 -23.004 -10.273 1.00 32.12 S ATOM 1584 CE MET A 98 14.417 -22.128 -9.138 1.00 63.41 C ATOM 0 H MET A 98 15.007 -22.891 -14.174 1.00 52.52 H new ATOM 0 HA MET A 98 13.285 -24.646 -12.589 1.00 10.15 H new ATOM 0 HB2 MET A 98 12.850 -21.874 -13.786 1.00 42.33 H new ATOM 0 HB3 MET A 98 11.737 -22.694 -12.709 1.00 42.33 H new ATOM 0 HG2 MET A 98 14.579 -21.886 -11.993 1.00 22.34 H new ATOM 0 HG3 MET A 98 13.138 -20.991 -11.555 1.00 22.34 H new ATOM 0 HE1 MET A 98 13.957 -22.100 -8.150 1.00 63.41 H new ATOM 0 HE2 MET A 98 15.377 -22.640 -9.077 1.00 63.41 H new ATOM 0 HE3 MET A 98 14.571 -21.110 -9.496 1.00 63.41 H new ATOM 1594 N ILE A 99 12.146 -23.624 -15.526 1.00 23.21 N ATOM 1595 CA ILE A 99 11.295 -24.023 -16.655 1.00 63.45 C ATOM 1596 C ILE A 99 12.028 -24.981 -17.614 1.00 42.20 C ATOM 1597 O ILE A 99 11.587 -26.113 -17.832 1.00 14.55 O ATOM 1598 CB ILE A 99 10.768 -22.789 -17.450 1.00 51.21 C ATOM 1599 CG1 ILE A 99 9.718 -22.003 -16.636 1.00 52.11 C ATOM 1600 CG2 ILE A 99 10.173 -23.215 -18.794 1.00 41.54 C ATOM 1601 CD1 ILE A 99 10.258 -21.317 -15.398 1.00 1.31 C ATOM 0 H ILE A 99 12.428 -22.644 -15.538 1.00 23.21 H new ATOM 0 HA ILE A 99 10.443 -24.547 -16.223 1.00 63.45 H new ATOM 0 HB ILE A 99 11.621 -22.136 -17.635 1.00 51.21 H new ATOM 0 HG12 ILE A 99 9.266 -21.251 -17.283 1.00 52.11 H new ATOM 0 HG13 ILE A 99 8.923 -22.687 -16.338 1.00 52.11 H new ATOM 0 HG21 ILE A 99 9.813 -22.335 -19.328 1.00 41.54 H new ATOM 0 HG22 ILE A 99 10.938 -23.713 -19.389 1.00 41.54 H new ATOM 0 HG23 ILE A 99 9.343 -23.901 -18.624 1.00 41.54 H new ATOM 0 HD11 ILE A 99 9.449 -20.791 -14.891 1.00 1.31 H new ATOM 0 HD12 ILE A 99 10.683 -22.062 -14.726 1.00 1.31 H new ATOM 0 HD13 ILE A 99 11.031 -20.604 -15.685 1.00 1.31 H new ATOM 1613 N GLY A 100 13.136 -24.523 -18.195 1.00 4.52 N ATOM 1614 CA GLY A 100 13.906 -25.366 -19.106 1.00 64.21 C ATOM 1615 C GLY A 100 15.404 -25.351 -18.823 1.00 2.45 C ATOM 1616 O GLY A 100 15.964 -26.339 -18.342 1.00 62.54 O ATOM 0 H GLY A 100 13.516 -23.587 -18.054 1.00 4.52 H new ATOM 0 HA2 GLY A 100 13.541 -26.391 -19.037 1.00 64.21 H new ATOM 0 HA3 GLY A 100 13.734 -25.034 -20.130 1.00 64.21 H new ATOM 1620 N GLU A 101 16.053 -24.228 -19.113 1.00 14.24 N ATOM 1621 CA GLU A 101 17.507 -24.101 -18.969 1.00 1.34 C ATOM 1622 C GLU A 101 17.891 -22.831 -18.198 1.00 44.34 C ATOM 1623 O GLU A 101 17.300 -21.772 -18.387 1.00 22.54 O ATOM 1624 CB GLU A 101 18.174 -24.086 -20.356 1.00 20.42 C ATOM 1625 CG GLU A 101 19.687 -23.857 -20.332 1.00 44.11 C ATOM 1626 CD GLU A 101 20.455 -24.987 -19.658 1.00 73.43 C ATOM 1627 OE1 GLU A 101 20.518 -25.016 -18.413 1.00 13.32 O ATOM 1628 OE2 GLU A 101 21.008 -25.848 -20.377 1.00 51.33 O ATOM 0 H GLU A 101 15.594 -23.383 -19.453 1.00 14.24 H new ATOM 0 HA GLU A 101 17.860 -24.961 -18.400 1.00 1.34 H new ATOM 0 HB2 GLU A 101 17.971 -25.035 -20.853 1.00 20.42 H new ATOM 0 HB3 GLU A 101 17.711 -23.305 -20.959 1.00 20.42 H new ATOM 0 HG2 GLU A 101 20.047 -23.741 -21.354 1.00 44.11 H new ATOM 0 HG3 GLU A 101 19.898 -22.922 -19.812 1.00 44.11 H new ATOM 1635 N ALA A 102 18.880 -22.956 -17.319 1.00 4.34 N ATOM 1636 CA ALA A 102 19.429 -21.808 -16.595 1.00 73.42 C ATOM 1637 C ALA A 102 20.960 -21.783 -16.695 1.00 63.32 C ATOM 1638 O ALA A 102 21.645 -22.491 -15.952 1.00 45.22 O ATOM 1639 CB ALA A 102 18.987 -21.834 -15.135 1.00 51.42 C ATOM 0 H ALA A 102 19.322 -23.846 -17.088 1.00 4.34 H new ATOM 0 HA ALA A 102 19.043 -20.898 -17.055 1.00 73.42 H new ATOM 0 HB1 ALA A 102 19.405 -20.973 -14.613 1.00 51.42 H new ATOM 0 HB2 ALA A 102 17.899 -21.797 -15.084 1.00 51.42 H new ATOM 0 HB3 ALA A 102 19.341 -22.751 -14.664 1.00 51.42 H new ATOM 1645 N PRO A 103 21.522 -20.999 -17.637 1.00 3.41 N ATOM 1646 CA PRO A 103 22.982 -20.862 -17.786 1.00 65.14 C ATOM 1647 C PRO A 103 23.668 -20.488 -16.462 1.00 73.21 C ATOM 1648 O PRO A 103 23.274 -19.523 -15.804 1.00 61.32 O ATOM 1649 CB PRO A 103 23.127 -19.731 -18.813 1.00 41.31 C ATOM 1650 CG PRO A 103 21.866 -19.785 -19.606 1.00 10.12 C ATOM 1651 CD PRO A 103 20.788 -20.192 -18.634 1.00 3.41 C ATOM 0 HA PRO A 103 23.455 -21.795 -18.094 1.00 65.14 H new ATOM 0 HB2 PRO A 103 23.248 -18.764 -18.325 1.00 41.31 H new ATOM 0 HB3 PRO A 103 24.001 -19.880 -19.447 1.00 41.31 H new ATOM 0 HG2 PRO A 103 21.644 -18.816 -20.054 1.00 10.12 H new ATOM 0 HG3 PRO A 103 21.948 -20.502 -20.423 1.00 10.12 H new ATOM 0 HD2 PRO A 103 20.309 -19.326 -18.178 1.00 3.41 H new ATOM 0 HD3 PRO A 103 20.003 -20.770 -19.122 1.00 3.41 H new ATOM 1659 N LEU A 104 24.684 -21.257 -16.066 1.00 3.03 N ATOM 1660 CA LEU A 104 25.367 -21.034 -14.785 1.00 51.43 C ATOM 1661 C LEU A 104 26.029 -19.645 -14.720 1.00 62.03 C ATOM 1662 O LEU A 104 27.202 -19.471 -15.060 1.00 35.44 O ATOM 1663 CB LEU A 104 26.400 -22.145 -14.523 1.00 63.35 C ATOM 1664 CG LEU A 104 27.094 -22.099 -13.147 1.00 30.34 C ATOM 1665 CD1 LEU A 104 26.064 -22.124 -12.020 1.00 14.55 C ATOM 1666 CD2 LEU A 104 28.073 -23.263 -12.999 1.00 21.41 C ATOM 0 H LEU A 104 25.053 -22.037 -16.610 1.00 3.03 H new ATOM 0 HA LEU A 104 24.611 -21.068 -14.001 1.00 51.43 H new ATOM 0 HB2 LEU A 104 25.904 -23.110 -14.627 1.00 63.35 H new ATOM 0 HB3 LEU A 104 27.165 -22.095 -15.298 1.00 63.35 H new ATOM 0 HG LEU A 104 27.653 -21.166 -13.081 1.00 30.34 H new ATOM 0 HD11 LEU A 104 26.576 -22.091 -11.058 1.00 14.55 H new ATOM 0 HD12 LEU A 104 25.405 -21.261 -12.110 1.00 14.55 H new ATOM 0 HD13 LEU A 104 25.475 -23.039 -12.086 1.00 14.55 H new ATOM 0 HD21 LEU A 104 28.553 -23.213 -12.021 1.00 21.41 H new ATOM 0 HD22 LEU A 104 27.534 -24.206 -13.091 1.00 21.41 H new ATOM 0 HD23 LEU A 104 28.832 -23.202 -13.779 1.00 21.41 H new ATOM 1678 N GLU A 105 25.242 -18.655 -14.313 1.00 13.21 N ATOM 1679 CA GLU A 105 25.720 -17.284 -14.135 1.00 74.41 C ATOM 1680 C GLU A 105 25.704 -16.898 -12.649 1.00 1.40 C ATOM 1681 O GLU A 105 24.679 -17.017 -11.975 1.00 11.11 O ATOM 1682 CB GLU A 105 24.848 -16.320 -14.959 1.00 61.34 C ATOM 1683 CG GLU A 105 25.137 -14.834 -14.731 1.00 64.15 C ATOM 1684 CD GLU A 105 26.582 -14.445 -15.018 1.00 41.52 C ATOM 1685 OE1 GLU A 105 26.995 -14.487 -16.196 1.00 34.12 O ATOM 1686 OE2 GLU A 105 27.307 -14.078 -14.066 1.00 44.31 O ATOM 0 H GLU A 105 24.253 -18.778 -14.096 1.00 13.21 H new ATOM 0 HA GLU A 105 26.749 -17.216 -14.489 1.00 74.41 H new ATOM 0 HB2 GLU A 105 24.985 -16.544 -16.017 1.00 61.34 H new ATOM 0 HB3 GLU A 105 23.801 -16.511 -14.726 1.00 61.34 H new ATOM 0 HG2 GLU A 105 24.477 -14.242 -15.365 1.00 64.15 H new ATOM 0 HG3 GLU A 105 24.899 -14.580 -13.698 1.00 64.15 H new ATOM 1693 N HIS A 106 26.845 -16.439 -12.141 1.00 51.23 N ATOM 1694 CA HIS A 106 26.964 -16.037 -10.734 1.00 53.05 C ATOM 1695 C HIS A 106 26.478 -14.593 -10.523 1.00 15.42 C ATOM 1696 O HIS A 106 26.663 -14.009 -9.453 1.00 44.01 O ATOM 1697 CB HIS A 106 28.418 -16.189 -10.274 1.00 51.30 C ATOM 1698 CG HIS A 106 28.932 -17.593 -10.392 1.00 31.05 C ATOM 1699 ND1 HIS A 106 28.766 -18.673 -9.591 1.00 15.34 N flip ATOM 1700 CD2 HIS A 106 29.716 -18.022 -11.438 1.00 24.42 C flip ATOM 1701 CE1 HIS A 106 29.448 -19.717 -10.167 1.00 15.31 C flip ATOM 1702 NE2 HIS A 106 30.009 -19.295 -11.280 1.00 64.51 N flip ATOM 0 H HIS A 106 27.704 -16.334 -12.681 1.00 51.23 H new ATOM 0 HA HIS A 106 26.329 -16.689 -10.134 1.00 53.05 H new ATOM 0 HB2 HIS A 106 29.050 -15.527 -10.865 1.00 51.30 H new ATOM 0 HB3 HIS A 106 28.500 -15.865 -9.236 1.00 51.30 H new ATOM 0 HD1 HIS A 106 28.233 -18.705 -8.722 1.00 15.34 H new ATOM 0 HD2 HIS A 106 30.042 -17.407 -12.264 1.00 24.42 H new ATOM 0 HE1 HIS A 106 29.513 -20.720 -9.771 1.00 15.31 H new ATOM 1711 N HIS A 107 25.861 -14.029 -11.562 1.00 3.11 N ATOM 1712 CA HIS A 107 25.301 -12.677 -11.516 1.00 40.42 C ATOM 1713 C HIS A 107 26.392 -11.657 -11.159 1.00 70.43 C ATOM 1714 O HIS A 107 26.272 -10.916 -10.181 1.00 63.03 O ATOM 1715 CB HIS A 107 24.134 -12.623 -10.511 1.00 40.42 C ATOM 1716 CG HIS A 107 23.274 -11.395 -10.623 1.00 14.32 C ATOM 1717 ND1 HIS A 107 22.207 -11.305 -11.490 1.00 34.53 N ATOM 1718 CD2 HIS A 107 23.307 -10.214 -9.955 1.00 73.43 C ATOM 1719 CE1 HIS A 107 21.625 -10.132 -11.351 1.00 23.31 C ATOM 1720 NE2 HIS A 107 22.270 -9.451 -10.428 1.00 14.22 N ATOM 0 H HIS A 107 25.735 -14.497 -12.460 1.00 3.11 H new ATOM 0 HA HIS A 107 24.913 -12.418 -12.501 1.00 40.42 H new ATOM 0 HB2 HIS A 107 23.508 -13.504 -10.652 1.00 40.42 H new ATOM 0 HB3 HIS A 107 24.538 -12.678 -9.500 1.00 40.42 H new ATOM 0 HD2 HIS A 107 24.017 -9.928 -9.193 1.00 73.43 H new ATOM 0 HE1 HIS A 107 20.763 -9.787 -11.902 1.00 23.31 H new ATOM 0 HE2 HIS A 107 22.037 -8.509 -10.115 1.00 14.22 H new ATOM 1729 N HIS A 108 27.471 -11.651 -11.945 1.00 51.31 N ATOM 1730 CA HIS A 108 28.603 -10.743 -11.704 1.00 53.44 C ATOM 1731 C HIS A 108 28.156 -9.267 -11.670 1.00 52.14 C ATOM 1732 O HIS A 108 27.114 -8.916 -12.224 1.00 4.20 O ATOM 1733 CB HIS A 108 29.715 -10.969 -12.745 1.00 44.53 C ATOM 1734 CG HIS A 108 29.294 -10.766 -14.170 1.00 73.14 C ATOM 1735 ND1 HIS A 108 28.750 -11.770 -14.944 1.00 14.13 N ATOM 1736 CD2 HIS A 108 29.362 -9.676 -14.973 1.00 20.52 C ATOM 1737 CE1 HIS A 108 28.503 -11.310 -16.152 1.00 45.14 C ATOM 1738 NE2 HIS A 108 28.865 -10.045 -16.198 1.00 63.43 N ATOM 0 H HIS A 108 27.588 -12.262 -12.753 1.00 51.31 H new ATOM 0 HA HIS A 108 29.009 -10.975 -10.719 1.00 53.44 H new ATOM 0 HB2 HIS A 108 30.541 -10.293 -12.525 1.00 44.53 H new ATOM 0 HB3 HIS A 108 30.096 -11.984 -12.635 1.00 44.53 H new ATOM 0 HD1 HIS A 108 28.567 -12.723 -14.628 1.00 14.13 H new ATOM 0 HD2 HIS A 108 29.737 -8.701 -14.700 1.00 20.52 H new ATOM 0 HE1 HIS A 108 28.076 -11.875 -16.968 1.00 45.14 H new ATOM 1747 N HIS A 109 28.972 -8.421 -11.026 1.00 42.33 N ATOM 1748 CA HIS A 109 28.601 -7.034 -10.677 1.00 3.22 C ATOM 1749 C HIS A 109 27.635 -7.007 -9.481 1.00 14.31 C ATOM 1750 O HIS A 109 26.924 -6.026 -9.264 1.00 73.14 O ATOM 1751 CB HIS A 109 27.987 -6.275 -11.868 1.00 61.33 C ATOM 1752 CG HIS A 109 28.947 -6.013 -12.986 1.00 11.12 C ATOM 1753 ND1 HIS A 109 28.661 -6.288 -14.304 1.00 71.54 N ATOM 1754 CD2 HIS A 109 30.182 -5.459 -12.982 1.00 5.21 C ATOM 1755 CE1 HIS A 109 29.675 -5.919 -15.058 1.00 23.14 C ATOM 1756 NE2 HIS A 109 30.612 -5.410 -14.284 1.00 30.03 N ATOM 0 H HIS A 109 29.914 -8.677 -10.729 1.00 42.33 H new ATOM 0 HA HIS A 109 29.524 -6.524 -10.401 1.00 3.22 H new ATOM 0 HB2 HIS A 109 27.144 -6.848 -12.254 1.00 61.33 H new ATOM 0 HB3 HIS A 109 27.591 -5.324 -11.513 1.00 61.33 H new ATOM 0 HD2 HIS A 109 30.728 -5.119 -12.115 1.00 5.21 H new ATOM 0 HE1 HIS A 109 29.730 -6.017 -16.132 1.00 23.14 H new ATOM 0 HE2 HIS A 109 31.509 -5.041 -14.600 1.00 30.03 H new ATOM 1765 N HIS A 110 27.637 -8.082 -8.693 1.00 73.05 N ATOM 1766 CA HIS A 110 26.772 -8.180 -7.514 1.00 2.22 C ATOM 1767 C HIS A 110 27.414 -7.514 -6.286 1.00 0.43 C ATOM 1768 O HIS A 110 28.597 -7.712 -6.001 1.00 72.10 O ATOM 1769 CB HIS A 110 26.422 -9.650 -7.208 1.00 22.50 C ATOM 1770 CG HIS A 110 27.603 -10.581 -7.127 1.00 21.41 C ATOM 1771 ND1 HIS A 110 27.812 -11.605 -8.027 1.00 42.04 N ATOM 1772 CD2 HIS A 110 28.622 -10.666 -6.233 1.00 61.01 C ATOM 1773 CE1 HIS A 110 28.896 -12.273 -7.694 1.00 53.21 C ATOM 1774 NE2 HIS A 110 29.408 -11.727 -6.612 1.00 25.03 N ATOM 0 H HIS A 110 28.228 -8.899 -8.849 1.00 73.05 H new ATOM 0 HA HIS A 110 25.850 -7.645 -7.742 1.00 2.22 H new ATOM 0 HB2 HIS A 110 25.881 -9.690 -6.262 1.00 22.50 H new ATOM 0 HB3 HIS A 110 25.743 -10.014 -7.979 1.00 22.50 H new ATOM 0 HD1 HIS A 110 27.217 -11.813 -8.829 1.00 42.04 H new ATOM 0 HD2 HIS A 110 28.784 -10.020 -5.383 1.00 61.01 H new ATOM 0 HE1 HIS A 110 29.298 -13.126 -8.221 1.00 53.21 H new ATOM 1783 N HIS A 111 26.623 -6.720 -5.571 1.00 20.30 N ATOM 1784 CA HIS A 111 27.081 -6.056 -4.346 1.00 1.03 C ATOM 1785 C HIS A 111 26.830 -6.941 -3.109 1.00 72.43 C ATOM 1786 O HIS A 111 27.807 -7.466 -2.531 1.00 37.08 O ATOM 1787 CB HIS A 111 26.371 -4.704 -4.179 1.00 54.51 C ATOM 1788 CG HIS A 111 26.817 -3.931 -2.970 1.00 23.44 C ATOM 1789 ND1 HIS A 111 26.322 -4.160 -1.704 1.00 12.41 N ATOM 1790 CD2 HIS A 111 27.720 -2.929 -2.839 1.00 52.44 C ATOM 1791 CE1 HIS A 111 26.896 -3.338 -0.851 1.00 1.51 C ATOM 1792 NE2 HIS A 111 27.747 -2.582 -1.512 1.00 45.32 N ATOM 1793 OXT HIS A 111 25.654 -7.112 -2.724 1.00 37.08 O ATOM 0 H HIS A 111 25.654 -6.517 -5.818 1.00 20.30 H new ATOM 0 HA HIS A 111 28.154 -5.888 -4.433 1.00 1.03 H new ATOM 0 HB2 HIS A 111 26.545 -4.100 -5.070 1.00 54.51 H new ATOM 0 HB3 HIS A 111 25.296 -4.874 -4.114 1.00 54.51 H new ATOM 0 HD2 HIS A 111 28.308 -2.487 -3.630 1.00 52.44 H new ATOM 0 HE1 HIS A 111 26.702 -3.292 0.210 1.00 1.51 H new ATOM 0 HE2 HIS A 111 28.333 -1.854 -1.103 1.00 45.32 H new TER 1802 HIS A 111