USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1152 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 126 SER OG : rot 43:sc= 1.69 USER MOD Set 1.2: A 130 HIS : no HD1:sc= 0.392 K(o=2.1,f=-7.9!) USER MOD Set 2.1: A 83 TYR OH : rot -125:sc= 0.73 USER MOD Set 2.2: A 85 GLN : amide:sc= 0.0147 K(o=0.74,f=0.05) USER MOD Single : A 1 MET CE :methyl -114:sc= -1.48 (180deg=-4.37!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.14! C(o=-3.1!,f=-9.9!) USER MOD Single : A 9 SER OG : rot -27:sc= -1.13 USER MOD Single : A 10 THR OG1 : rot -51:sc= 0.782 USER MOD Single : A 14 THR OG1 : rot 74:sc= 0.634 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0.634 (180deg=0.484) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.12) USER MOD Single : A 25 ASN : amide:sc= 0.739 K(o=0.74,f=-0.92) USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00575) USER MOD Single : A 31 THR OG1 : rot 39:sc= 0.778 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.691 K(o=0.69,f=-0.46) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= -2.2! (180deg=-4.73!) USER MOD Single : A 41 SER OG : rot -42:sc= 0.469 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0539 (180deg=-0.337) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc=-0.00397 (180deg=-0.136) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.00528 X(o=-0.0053,f=0) USER MOD Single : A 52 THR OG1 : rot -159:sc= -0.778 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 1.1 (180deg=1.01) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.032) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3.4!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 94 SER OG : rot -150:sc= 0 USER MOD Single : A 106 THR OG1 : rot 23:sc= 0.23 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0778) USER MOD Single : A 115 LYS NZ :NH3+ 171:sc= -0.023 (180deg=-0.14) USER MOD Single : A 116 SER OG : rot -170:sc= 0.105 USER MOD Single : A 129 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HE2:sc= 0.577 K(o=0.58,f=-1.9!) USER MOD Single : A 133 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.27) USER MOD Single : A 134 HIS : no HE2:sc= -0.0346 K(o=-0.035,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.724 8.046 11.540 1.00 10.23 N ATOM 2 CA MET A 1 1.777 7.171 12.131 1.00 45.24 C ATOM 3 C MET A 1 2.590 6.446 11.042 1.00 53.20 C ATOM 4 O MET A 1 3.804 6.620 10.945 1.00 45.42 O ATOM 5 CB MET A 1 1.135 6.151 13.086 1.00 5.45 C ATOM 6 CG MET A 1 2.139 5.259 13.810 1.00 1.11 C ATOM 7 SD MET A 1 1.348 4.138 14.984 1.00 35.04 S ATOM 8 CE MET A 1 0.269 3.202 13.903 1.00 74.14 C ATOM 0 H1 MET A 1 0.197 8.518 12.302 1.00 10.23 H new ATOM 0 H2 MET A 1 1.169 8.763 10.932 1.00 10.23 H new ATOM 0 H3 MET A 1 0.071 7.469 10.973 1.00 10.23 H new ATOM 0 HA MET A 1 2.467 7.804 12.689 1.00 45.24 H new ATOM 0 HB2 MET A 1 0.541 6.686 13.826 1.00 5.45 H new ATOM 0 HB3 MET A 1 0.448 5.522 12.520 1.00 5.45 H new ATOM 0 HG2 MET A 1 2.698 4.677 13.077 1.00 1.11 H new ATOM 0 HG3 MET A 1 2.860 5.883 14.338 1.00 1.11 H new ATOM 0 HE1 MET A 1 -0.770 3.419 14.150 1.00 74.14 H new ATOM 0 HE2 MET A 1 0.462 3.480 12.867 1.00 74.14 H new ATOM 0 HE3 MET A 1 0.458 2.137 14.034 1.00 74.14 H new ATOM 20 N ASN A 2 1.916 5.636 10.219 1.00 31.35 N ATOM 21 CA ASN A 2 2.591 4.856 9.167 1.00 54.05 C ATOM 22 C ASN A 2 1.660 4.676 7.946 1.00 21.34 C ATOM 23 O ASN A 2 0.446 4.864 8.054 1.00 64.51 O ATOM 24 CB ASN A 2 3.016 3.492 9.743 1.00 65.35 C ATOM 25 CG ASN A 2 4.103 2.802 8.934 1.00 53.41 C ATOM 26 OD1 ASN A 2 4.212 2.972 7.731 1.00 34.34 O ATOM 27 ND2 ASN A 2 4.923 2.015 9.596 1.00 1.34 N ATOM 0 H ASN A 2 0.906 5.501 10.258 1.00 31.35 H new ATOM 0 HA ASN A 2 3.479 5.391 8.830 1.00 54.05 H new ATOM 0 HB2 ASN A 2 3.369 3.632 10.765 1.00 65.35 H new ATOM 0 HB3 ASN A 2 2.144 2.841 9.794 1.00 65.35 H new ATOM 0 HD21 ASN A 2 5.672 1.529 9.103 1.00 1.34 H new ATOM 0 HD22 ASN A 2 4.809 1.891 10.602 1.00 1.34 H new ATOM 34 N ILE A 3 2.230 4.318 6.793 1.00 61.22 N ATOM 35 CA ILE A 3 1.457 4.178 5.550 1.00 73.30 C ATOM 36 C ILE A 3 1.763 2.849 4.819 1.00 52.00 C ATOM 37 O ILE A 3 2.922 2.475 4.628 1.00 44.24 O ATOM 38 CB ILE A 3 1.725 5.377 4.599 1.00 32.14 C ATOM 39 CG1 ILE A 3 0.935 5.227 3.286 1.00 23.40 C ATOM 40 CG2 ILE A 3 3.221 5.528 4.325 1.00 51.44 C ATOM 41 CD1 ILE A 3 1.072 6.413 2.352 1.00 4.20 C ATOM 0 H ILE A 3 3.225 4.119 6.691 1.00 61.22 H new ATOM 0 HA ILE A 3 0.404 4.169 5.831 1.00 73.30 H new ATOM 0 HB ILE A 3 1.379 6.285 5.094 1.00 32.14 H new ATOM 0 HG12 ILE A 3 1.273 4.329 2.770 1.00 23.40 H new ATOM 0 HG13 ILE A 3 -0.119 5.081 3.522 1.00 23.40 H new ATOM 0 HG21 ILE A 3 3.385 6.374 3.657 1.00 51.44 H new ATOM 0 HG22 ILE A 3 3.747 5.700 5.264 1.00 51.44 H new ATOM 0 HG23 ILE A 3 3.599 4.618 3.858 1.00 51.44 H new ATOM 0 HD11 ILE A 3 0.488 6.234 1.449 1.00 4.20 H new ATOM 0 HD12 ILE A 3 0.706 7.312 2.849 1.00 4.20 H new ATOM 0 HD13 ILE A 3 2.120 6.547 2.085 1.00 4.20 H new ATOM 53 N VAL A 4 0.705 2.142 4.417 1.00 15.44 N ATOM 54 CA VAL A 4 0.828 0.867 3.694 1.00 2.22 C ATOM 55 C VAL A 4 0.293 0.994 2.255 1.00 24.12 C ATOM 56 O VAL A 4 -0.766 1.576 2.029 1.00 4.23 O ATOM 57 CB VAL A 4 0.047 -0.262 4.418 1.00 31.24 C ATOM 58 CG1 VAL A 4 0.266 -1.611 3.730 1.00 3.43 C ATOM 59 CG2 VAL A 4 0.429 -0.333 5.897 1.00 62.21 C ATOM 0 H VAL A 4 -0.259 2.432 4.581 1.00 15.44 H new ATOM 0 HA VAL A 4 1.888 0.615 3.667 1.00 2.22 H new ATOM 0 HB VAL A 4 -1.015 -0.024 4.358 1.00 31.24 H new ATOM 0 HG11 VAL A 4 -0.293 -2.384 4.258 1.00 3.43 H new ATOM 0 HG12 VAL A 4 -0.081 -1.554 2.698 1.00 3.43 H new ATOM 0 HG13 VAL A 4 1.328 -1.858 3.743 1.00 3.43 H new ATOM 0 HG21 VAL A 4 -0.133 -1.132 6.380 1.00 62.21 H new ATOM 0 HG22 VAL A 4 1.496 -0.534 5.988 1.00 62.21 H new ATOM 0 HG23 VAL A 4 0.196 0.617 6.379 1.00 62.21 H new ATOM 69 N ILE A 5 1.020 0.447 1.283 1.00 74.13 N ATOM 70 CA ILE A 5 0.597 0.516 -0.125 1.00 62.23 C ATOM 71 C ILE A 5 0.365 -0.888 -0.718 1.00 22.33 C ATOM 72 O ILE A 5 1.285 -1.695 -0.801 1.00 14.03 O ATOM 73 CB ILE A 5 1.646 1.268 -0.986 1.00 44.20 C ATOM 74 CG1 ILE A 5 1.903 2.673 -0.411 1.00 32.14 C ATOM 75 CG2 ILE A 5 1.184 1.359 -2.443 1.00 3.24 C ATOM 76 CD1 ILE A 5 2.977 3.450 -1.145 1.00 62.14 C ATOM 0 H ILE A 5 1.899 -0.047 1.437 1.00 74.13 H new ATOM 0 HA ILE A 5 -0.345 1.064 -0.145 1.00 62.23 H new ATOM 0 HB ILE A 5 2.580 0.707 -0.959 1.00 44.20 H new ATOM 0 HG12 ILE A 5 0.974 3.242 -0.439 1.00 32.14 H new ATOM 0 HG13 ILE A 5 2.188 2.579 0.637 1.00 32.14 H new ATOM 0 HG21 ILE A 5 1.934 1.890 -3.030 1.00 3.24 H new ATOM 0 HG22 ILE A 5 1.052 0.355 -2.846 1.00 3.24 H new ATOM 0 HG23 ILE A 5 0.237 1.897 -2.492 1.00 3.24 H new ATOM 0 HD11 ILE A 5 3.100 4.429 -0.681 1.00 62.14 H new ATOM 0 HD12 ILE A 5 3.919 2.904 -1.095 1.00 62.14 H new ATOM 0 HD13 ILE A 5 2.686 3.577 -2.188 1.00 62.14 H new ATOM 88 N VAL A 6 -0.874 -1.166 -1.130 1.00 54.41 N ATOM 89 CA VAL A 6 -1.232 -2.458 -1.740 1.00 42.23 C ATOM 90 C VAL A 6 -1.291 -2.342 -3.274 1.00 1.22 C ATOM 91 O VAL A 6 -2.093 -1.583 -3.818 1.00 75.52 O ATOM 92 CB VAL A 6 -2.600 -2.966 -1.212 1.00 24.45 C ATOM 93 CG1 VAL A 6 -2.948 -4.331 -1.809 1.00 44.30 C ATOM 94 CG2 VAL A 6 -2.602 -3.027 0.317 1.00 50.24 C ATOM 0 H VAL A 6 -1.653 -0.512 -1.054 1.00 54.41 H new ATOM 0 HA VAL A 6 -0.458 -3.173 -1.463 1.00 42.23 H new ATOM 0 HB VAL A 6 -3.365 -2.257 -1.527 1.00 24.45 H new ATOM 0 HG11 VAL A 6 -3.911 -4.663 -1.422 1.00 44.30 H new ATOM 0 HG12 VAL A 6 -3.002 -4.250 -2.895 1.00 44.30 H new ATOM 0 HG13 VAL A 6 -2.179 -5.054 -1.537 1.00 44.30 H new ATOM 0 HG21 VAL A 6 -3.571 -3.386 0.666 1.00 50.24 H new ATOM 0 HG22 VAL A 6 -1.820 -3.707 0.655 1.00 50.24 H new ATOM 0 HG23 VAL A 6 -2.417 -2.032 0.721 1.00 50.24 H new ATOM 104 N VAL A 7 -0.444 -3.099 -3.970 1.00 12.10 N ATOM 105 CA VAL A 7 -0.316 -2.978 -5.430 1.00 31.25 C ATOM 106 C VAL A 7 -0.685 -4.284 -6.164 1.00 22.43 C ATOM 107 O VAL A 7 0.024 -5.285 -6.066 1.00 22.34 O ATOM 108 CB VAL A 7 1.130 -2.567 -5.812 1.00 72.20 C ATOM 109 CG1 VAL A 7 1.256 -2.315 -7.311 1.00 60.44 C ATOM 110 CG2 VAL A 7 1.565 -1.338 -5.021 1.00 4.34 C ATOM 0 H VAL A 7 0.165 -3.803 -3.552 1.00 12.10 H new ATOM 0 HA VAL A 7 -1.020 -2.207 -5.744 1.00 31.25 H new ATOM 0 HB VAL A 7 1.792 -3.395 -5.557 1.00 72.20 H new ATOM 0 HG11 VAL A 7 2.281 -2.029 -7.547 1.00 60.44 H new ATOM 0 HG12 VAL A 7 0.998 -3.223 -7.856 1.00 60.44 H new ATOM 0 HG13 VAL A 7 0.579 -1.512 -7.603 1.00 60.44 H new ATOM 0 HG21 VAL A 7 2.582 -1.065 -5.303 1.00 4.34 H new ATOM 0 HG22 VAL A 7 0.893 -0.508 -5.239 1.00 4.34 H new ATOM 0 HG23 VAL A 7 1.532 -1.561 -3.955 1.00 4.34 H new ATOM 120 N PHE A 8 -1.786 -4.257 -6.923 1.00 33.34 N ATOM 121 CA PHE A 8 -2.238 -5.425 -7.707 1.00 31.23 C ATOM 122 C PHE A 8 -1.539 -5.511 -9.081 1.00 71.01 C ATOM 123 O PHE A 8 -2.095 -6.066 -10.033 1.00 72.12 O ATOM 124 CB PHE A 8 -3.762 -5.356 -7.925 1.00 22.51 C ATOM 125 CG PHE A 8 -4.590 -5.564 -6.680 1.00 41.44 C ATOM 126 CD1 PHE A 8 -4.760 -4.542 -5.758 1.00 1.41 C ATOM 127 CD2 PHE A 8 -5.210 -6.785 -6.440 1.00 61.42 C ATOM 128 CE1 PHE A 8 -5.524 -4.733 -4.622 1.00 10.24 C ATOM 129 CE2 PHE A 8 -5.977 -6.979 -5.305 1.00 4.30 C ATOM 130 CZ PHE A 8 -6.133 -5.952 -4.397 1.00 62.02 C ATOM 0 H PHE A 8 -2.387 -3.438 -7.015 1.00 33.34 H new ATOM 0 HA PHE A 8 -1.975 -6.315 -7.135 1.00 31.23 H new ATOM 0 HB2 PHE A 8 -4.010 -4.384 -8.351 1.00 22.51 H new ATOM 0 HB3 PHE A 8 -4.044 -6.108 -8.662 1.00 22.51 H new ATOM 0 HD1 PHE A 8 -4.290 -3.585 -5.930 1.00 1.41 H new ATOM 0 HD2 PHE A 8 -5.091 -7.592 -7.148 1.00 61.42 H new ATOM 0 HE1 PHE A 8 -5.645 -3.929 -3.911 1.00 10.24 H new ATOM 0 HE2 PHE A 8 -6.453 -7.933 -5.130 1.00 4.30 H new ATOM 0 HZ PHE A 8 -6.731 -6.101 -3.510 1.00 62.02 H new ATOM 140 N SER A 9 -0.313 -4.993 -9.176 1.00 10.21 N ATOM 141 CA SER A 9 0.408 -4.930 -10.464 1.00 41.41 C ATOM 142 C SER A 9 1.128 -6.242 -10.796 1.00 4.31 C ATOM 143 O SER A 9 1.464 -6.479 -11.945 1.00 62.41 O ATOM 144 CB SER A 9 1.433 -3.788 -10.460 1.00 31.34 C ATOM 145 OG SER A 9 2.101 -3.677 -11.711 1.00 72.44 O ATOM 0 H SER A 9 0.205 -4.611 -8.385 1.00 10.21 H new ATOM 0 HA SER A 9 -0.347 -4.751 -11.229 1.00 41.41 H new ATOM 0 HB2 SER A 9 0.930 -2.848 -10.231 1.00 31.34 H new ATOM 0 HB3 SER A 9 2.165 -3.958 -9.670 1.00 31.34 H new ATOM 0 HG SER A 9 2.112 -4.551 -12.155 1.00 72.44 H new ATOM 151 N THR A 10 1.352 -7.079 -9.777 1.00 44.42 N ATOM 152 CA THR A 10 2.095 -8.358 -9.905 1.00 20.12 C ATOM 153 C THR A 10 3.594 -8.153 -10.220 1.00 0.00 C ATOM 154 O THR A 10 4.458 -8.591 -9.452 1.00 64.54 O ATOM 155 CB THR A 10 1.478 -9.333 -10.956 1.00 62.33 C ATOM 156 OG1 THR A 10 1.741 -8.891 -12.299 1.00 52.31 O ATOM 157 CG2 THR A 10 -0.027 -9.476 -10.757 1.00 53.23 C ATOM 0 H THR A 10 1.024 -6.895 -8.829 1.00 44.42 H new ATOM 0 HA THR A 10 2.003 -8.818 -8.921 1.00 20.12 H new ATOM 0 HB THR A 10 1.951 -10.303 -10.806 1.00 62.33 H new ATOM 0 HG1 THR A 10 1.485 -7.949 -12.389 1.00 52.31 H new ATOM 0 HG21 THR A 10 -0.429 -10.161 -11.503 1.00 53.23 H new ATOM 0 HG22 THR A 10 -0.227 -9.868 -9.760 1.00 53.23 H new ATOM 0 HG23 THR A 10 -0.503 -8.501 -10.866 1.00 53.23 H new ATOM 165 N ASP A 11 3.905 -7.501 -11.342 1.00 4.04 N ATOM 166 CA ASP A 11 5.300 -7.240 -11.733 1.00 62.31 C ATOM 167 C ASP A 11 5.890 -6.040 -10.973 1.00 35.33 C ATOM 168 O ASP A 11 5.167 -5.127 -10.567 1.00 70.45 O ATOM 169 CB ASP A 11 5.391 -6.999 -13.247 1.00 25.21 C ATOM 170 CG ASP A 11 4.685 -5.726 -13.687 1.00 5.14 C ATOM 171 OD1 ASP A 11 3.439 -5.710 -13.714 1.00 42.51 O ATOM 172 OD2 ASP A 11 5.376 -4.734 -14.007 1.00 55.33 O ATOM 0 H ASP A 11 3.212 -7.142 -11.999 1.00 4.04 H new ATOM 0 HA ASP A 11 5.885 -8.121 -11.471 1.00 62.31 H new ATOM 0 HB2 ASP A 11 6.440 -6.946 -13.539 1.00 25.21 H new ATOM 0 HB3 ASP A 11 4.956 -7.850 -13.772 1.00 25.21 H new ATOM 177 N GLU A 12 7.209 -6.045 -10.785 1.00 45.21 N ATOM 178 CA GLU A 12 7.886 -4.954 -10.071 1.00 53.40 C ATOM 179 C GLU A 12 8.274 -3.798 -11.015 1.00 61.34 C ATOM 180 O GLU A 12 8.555 -2.691 -10.558 1.00 11.42 O ATOM 181 CB GLU A 12 9.132 -5.471 -9.332 1.00 75.41 C ATOM 182 CG GLU A 12 9.839 -4.398 -8.501 1.00 41.35 C ATOM 183 CD GLU A 12 11.060 -4.912 -7.755 1.00 22.32 C ATOM 184 OE1 GLU A 12 12.039 -5.314 -8.413 1.00 3.15 O ATOM 185 OE2 GLU A 12 11.054 -4.898 -6.503 1.00 71.53 O ATOM 0 H GLU A 12 7.830 -6.785 -11.113 1.00 45.21 H new ATOM 0 HA GLU A 12 7.176 -4.565 -9.341 1.00 53.40 H new ATOM 0 HB2 GLU A 12 8.841 -6.293 -8.678 1.00 75.41 H new ATOM 0 HB3 GLU A 12 9.834 -5.876 -10.060 1.00 75.41 H new ATOM 0 HG2 GLU A 12 10.142 -3.582 -9.158 1.00 41.35 H new ATOM 0 HG3 GLU A 12 9.133 -3.983 -7.782 1.00 41.35 H new ATOM 192 N GLU A 13 8.288 -4.046 -12.326 1.00 73.01 N ATOM 193 CA GLU A 13 8.604 -2.994 -13.304 1.00 22.50 C ATOM 194 C GLU A 13 7.630 -1.811 -13.182 1.00 12.01 C ATOM 195 O GLU A 13 8.043 -0.660 -13.022 1.00 51.34 O ATOM 196 CB GLU A 13 8.564 -3.545 -14.735 1.00 11.13 C ATOM 197 CG GLU A 13 8.822 -2.480 -15.799 1.00 34.14 C ATOM 198 CD GLU A 13 8.702 -3.014 -17.214 1.00 35.40 C ATOM 199 OE1 GLU A 13 7.585 -3.416 -17.605 1.00 53.31 O ATOM 200 OE2 GLU A 13 9.720 -3.037 -17.938 1.00 32.42 O ATOM 0 H GLU A 13 8.086 -4.958 -12.736 1.00 73.01 H new ATOM 0 HA GLU A 13 9.613 -2.642 -13.087 1.00 22.50 H new ATOM 0 HB2 GLU A 13 9.308 -4.335 -14.834 1.00 11.13 H new ATOM 0 HB3 GLU A 13 7.590 -4.000 -14.915 1.00 11.13 H new ATOM 0 HG2 GLU A 13 8.115 -1.661 -15.664 1.00 34.14 H new ATOM 0 HG3 GLU A 13 9.820 -2.066 -15.656 1.00 34.14 H new ATOM 207 N THR A 14 6.336 -2.103 -13.253 1.00 33.25 N ATOM 208 CA THR A 14 5.302 -1.080 -13.063 1.00 43.52 C ATOM 209 C THR A 14 5.392 -0.488 -11.649 1.00 63.13 C ATOM 210 O THR A 14 5.189 0.708 -11.448 1.00 63.20 O ATOM 211 CB THR A 14 3.883 -1.656 -13.291 1.00 1.31 C ATOM 212 OG1 THR A 14 3.819 -2.319 -14.568 1.00 42.40 O ATOM 213 CG2 THR A 14 2.821 -0.561 -13.236 1.00 13.43 C ATOM 0 H THR A 14 5.973 -3.038 -13.440 1.00 33.25 H new ATOM 0 HA THR A 14 5.477 -0.297 -13.801 1.00 43.52 H new ATOM 0 HB THR A 14 3.683 -2.370 -12.492 1.00 1.31 H new ATOM 0 HG1 THR A 14 4.300 -3.171 -14.519 1.00 42.40 H new ATOM 0 HG21 THR A 14 1.837 -1.000 -13.400 1.00 13.43 H new ATOM 0 HG22 THR A 14 2.845 -0.079 -12.258 1.00 13.43 H new ATOM 0 HG23 THR A 14 3.021 0.180 -14.010 1.00 13.43 H new ATOM 221 N LEU A 15 5.722 -1.340 -10.677 1.00 4.43 N ATOM 222 CA LEU A 15 5.933 -0.905 -9.290 1.00 72.25 C ATOM 223 C LEU A 15 7.163 0.017 -9.164 1.00 15.22 C ATOM 224 O LEU A 15 7.220 0.880 -8.282 1.00 44.33 O ATOM 225 CB LEU A 15 6.107 -2.122 -8.372 1.00 61.14 C ATOM 226 CG LEU A 15 6.375 -1.793 -6.895 1.00 14.15 C ATOM 227 CD1 LEU A 15 5.173 -1.085 -6.275 1.00 31.21 C ATOM 228 CD2 LEU A 15 6.732 -3.055 -6.116 1.00 21.35 C ATOM 0 H LEU A 15 5.850 -2.341 -10.823 1.00 4.43 H new ATOM 0 HA LEU A 15 5.052 -0.340 -8.986 1.00 72.25 H new ATOM 0 HB2 LEU A 15 5.208 -2.735 -8.434 1.00 61.14 H new ATOM 0 HB3 LEU A 15 6.932 -2.726 -8.749 1.00 61.14 H new ATOM 0 HG LEU A 15 7.228 -1.116 -6.843 1.00 14.15 H new ATOM 0 HD11 LEU A 15 5.383 -0.861 -5.229 1.00 31.21 H new ATOM 0 HD12 LEU A 15 4.980 -0.157 -6.813 1.00 31.21 H new ATOM 0 HD13 LEU A 15 4.297 -1.731 -6.339 1.00 31.21 H new ATOM 0 HD21 LEU A 15 6.918 -2.798 -5.073 1.00 21.35 H new ATOM 0 HD22 LEU A 15 5.906 -3.764 -6.174 1.00 21.35 H new ATOM 0 HD23 LEU A 15 7.628 -3.505 -6.544 1.00 21.35 H new ATOM 240 N ARG A 16 8.146 -0.169 -10.046 1.00 71.10 N ATOM 241 CA ARG A 16 9.366 0.648 -10.030 1.00 23.33 C ATOM 242 C ARG A 16 9.026 2.133 -10.218 1.00 51.31 C ATOM 243 O ARG A 16 9.709 3.015 -9.698 1.00 1.22 O ATOM 244 CB ARG A 16 10.346 0.171 -11.113 1.00 23.41 C ATOM 245 CG ARG A 16 11.694 0.892 -11.096 1.00 41.32 C ATOM 246 CD ARG A 16 12.715 0.210 -12.001 1.00 32.31 C ATOM 247 NE ARG A 16 12.272 0.153 -13.394 1.00 21.01 N ATOM 248 CZ ARG A 16 12.202 -0.945 -14.098 1.00 72.24 C ATOM 249 NH1 ARG A 16 12.483 -2.092 -13.565 1.00 42.00 N ATOM 250 NH2 ARG A 16 11.840 -0.892 -15.337 1.00 13.21 N ATOM 0 H ARG A 16 8.124 -0.876 -10.780 1.00 71.10 H new ATOM 0 HA ARG A 16 9.846 0.531 -9.059 1.00 23.33 H new ATOM 0 HB2 ARG A 16 10.516 -0.898 -10.988 1.00 23.41 H new ATOM 0 HB3 ARG A 16 9.885 0.308 -12.091 1.00 23.41 H new ATOM 0 HG2 ARG A 16 11.557 1.925 -11.417 1.00 41.32 H new ATOM 0 HG3 ARG A 16 12.076 0.923 -10.076 1.00 41.32 H new ATOM 0 HD2 ARG A 16 13.662 0.746 -11.945 1.00 32.31 H new ATOM 0 HD3 ARG A 16 12.900 -0.801 -11.639 1.00 32.31 H new ATOM 0 HE ARG A 16 12.000 1.027 -13.844 1.00 21.01 H new ATOM 0 HH11 ARG A 16 12.762 -2.144 -12.585 1.00 42.00 H new ATOM 0 HH12 ARG A 16 12.425 -2.943 -14.125 1.00 42.00 H new ATOM 0 HH21 ARG A 16 11.610 0.006 -15.763 1.00 13.21 H new ATOM 0 HH22 ARG A 16 11.784 -1.748 -15.889 1.00 13.21 H new ATOM 264 N LYS A 17 7.942 2.389 -10.946 1.00 25.11 N ATOM 265 CA LYS A 17 7.419 3.745 -11.133 1.00 61.23 C ATOM 266 C LYS A 17 6.974 4.351 -9.791 1.00 22.35 C ATOM 267 O LYS A 17 7.123 5.552 -9.553 1.00 15.20 O ATOM 268 CB LYS A 17 6.232 3.707 -12.109 1.00 32.11 C ATOM 269 CG LYS A 17 6.550 3.036 -13.445 1.00 14.54 C ATOM 270 CD LYS A 17 7.557 3.837 -14.266 1.00 13.13 C ATOM 271 CE LYS A 17 6.993 5.191 -14.685 1.00 42.23 C ATOM 272 NZ LYS A 17 7.932 5.937 -15.560 1.00 22.15 N ATOM 0 H LYS A 17 7.401 1.667 -11.422 1.00 25.11 H new ATOM 0 HA LYS A 17 8.212 4.371 -11.544 1.00 61.23 H new ATOM 0 HB2 LYS A 17 5.403 3.180 -11.637 1.00 32.11 H new ATOM 0 HB3 LYS A 17 5.896 4.727 -12.297 1.00 32.11 H new ATOM 0 HG2 LYS A 17 6.945 2.037 -13.263 1.00 14.54 H new ATOM 0 HG3 LYS A 17 5.630 2.916 -14.018 1.00 14.54 H new ATOM 0 HD2 LYS A 17 8.466 3.986 -13.683 1.00 13.13 H new ATOM 0 HD3 LYS A 17 7.837 3.269 -15.153 1.00 13.13 H new ATOM 0 HE2 LYS A 17 6.048 5.044 -15.209 1.00 42.23 H new ATOM 0 HE3 LYS A 17 6.776 5.784 -13.797 1.00 42.23 H new ATOM 0 HZ1 LYS A 17 7.511 6.851 -15.822 1.00 22.15 H new ATOM 0 HZ2 LYS A 17 8.825 6.100 -15.052 1.00 22.15 H new ATOM 0 HZ3 LYS A 17 8.119 5.383 -16.420 1.00 22.15 H new ATOM 286 N PHE A 18 6.437 3.498 -8.916 1.00 73.31 N ATOM 287 CA PHE A 18 5.951 3.918 -7.595 1.00 71.52 C ATOM 288 C PHE A 18 7.114 4.150 -6.616 1.00 15.14 C ATOM 289 O PHE A 18 7.224 5.215 -6.003 1.00 25.45 O ATOM 290 CB PHE A 18 4.995 2.858 -7.018 1.00 52.13 C ATOM 291 CG PHE A 18 3.743 2.645 -7.836 1.00 12.22 C ATOM 292 CD1 PHE A 18 3.808 2.065 -9.095 1.00 0.10 C ATOM 293 CD2 PHE A 18 2.503 3.020 -7.344 1.00 30.32 C ATOM 294 CE1 PHE A 18 2.664 1.869 -9.843 1.00 31.43 C ATOM 295 CE2 PHE A 18 1.357 2.824 -8.089 1.00 43.51 C ATOM 296 CZ PHE A 18 1.439 2.249 -9.341 1.00 64.21 C ATOM 0 H PHE A 18 6.326 2.501 -9.100 1.00 73.31 H new ATOM 0 HA PHE A 18 5.418 4.860 -7.723 1.00 71.52 H new ATOM 0 HB2 PHE A 18 5.528 1.911 -6.936 1.00 52.13 H new ATOM 0 HB3 PHE A 18 4.710 3.153 -6.008 1.00 52.13 H new ATOM 0 HD1 PHE A 18 4.765 1.763 -9.495 1.00 0.10 H new ATOM 0 HD2 PHE A 18 2.432 3.471 -6.365 1.00 30.32 H new ATOM 0 HE1 PHE A 18 2.730 1.418 -10.822 1.00 31.43 H new ATOM 0 HE2 PHE A 18 0.397 3.120 -7.692 1.00 43.51 H new ATOM 0 HZ PHE A 18 0.544 2.097 -9.926 1.00 64.21 H new ATOM 306 N LYS A 19 7.986 3.148 -6.474 1.00 62.31 N ATOM 307 CA LYS A 19 9.127 3.245 -5.550 1.00 42.20 C ATOM 308 C LYS A 19 10.084 4.382 -5.956 1.00 70.52 C ATOM 309 O LYS A 19 10.755 4.973 -5.107 1.00 43.41 O ATOM 310 CB LYS A 19 9.885 1.905 -5.466 1.00 54.23 C ATOM 311 CG LYS A 19 10.570 1.498 -6.760 1.00 35.44 C ATOM 312 CD LYS A 19 11.435 0.246 -6.602 1.00 11.25 C ATOM 313 CE LYS A 19 10.616 -1.002 -6.294 1.00 24.13 C ATOM 314 NZ LYS A 19 11.486 -2.201 -6.157 1.00 51.23 N ATOM 0 H LYS A 19 7.928 2.265 -6.981 1.00 62.31 H new ATOM 0 HA LYS A 19 8.729 3.477 -4.562 1.00 42.20 H new ATOM 0 HB2 LYS A 19 10.634 1.972 -4.677 1.00 54.23 H new ATOM 0 HB3 LYS A 19 9.185 1.121 -5.176 1.00 54.23 H new ATOM 0 HG2 LYS A 19 9.815 1.319 -7.525 1.00 35.44 H new ATOM 0 HG3 LYS A 19 11.191 2.322 -7.112 1.00 35.44 H new ATOM 0 HD2 LYS A 19 12.004 0.085 -7.518 1.00 11.25 H new ATOM 0 HD3 LYS A 19 12.158 0.408 -5.802 1.00 11.25 H new ATOM 0 HE2 LYS A 19 10.053 -0.852 -5.373 1.00 24.13 H new ATOM 0 HE3 LYS A 19 9.889 -1.167 -7.089 1.00 24.13 H new ATOM 0 HZ1 LYS A 19 10.894 -3.049 -6.049 1.00 51.23 H new ATOM 0 HZ2 LYS A 19 12.079 -2.298 -7.006 1.00 51.23 H new ATOM 0 HZ3 LYS A 19 12.094 -2.095 -5.320 1.00 51.23 H new ATOM 328 N ASP A 20 10.134 4.684 -7.258 1.00 42.24 N ATOM 329 CA ASP A 20 10.898 5.830 -7.771 1.00 23.24 C ATOM 330 C ASP A 20 10.415 7.143 -7.130 1.00 10.42 C ATOM 331 O ASP A 20 11.214 8.014 -6.788 1.00 60.14 O ATOM 332 CB ASP A 20 10.765 5.891 -9.301 1.00 53.10 C ATOM 333 CG ASP A 20 11.395 7.132 -9.913 1.00 14.21 C ATOM 334 OD1 ASP A 20 12.616 7.124 -10.174 1.00 43.05 O ATOM 335 OD2 ASP A 20 10.666 8.124 -10.145 1.00 15.22 O ATOM 0 H ASP A 20 9.652 4.148 -7.980 1.00 42.24 H new ATOM 0 HA ASP A 20 11.948 5.701 -7.509 1.00 23.24 H new ATOM 0 HB2 ASP A 20 11.230 5.005 -9.734 1.00 53.10 H new ATOM 0 HB3 ASP A 20 9.709 5.860 -9.568 1.00 53.10 H new ATOM 340 N ILE A 21 9.097 7.263 -6.960 1.00 74.13 N ATOM 341 CA ILE A 21 8.489 8.440 -6.327 1.00 13.43 C ATOM 342 C ILE A 21 8.774 8.470 -4.815 1.00 33.31 C ATOM 343 O ILE A 21 9.113 9.515 -4.250 1.00 3.41 O ATOM 344 CB ILE A 21 6.959 8.456 -6.576 1.00 53.33 C ATOM 345 CG1 ILE A 21 6.675 8.532 -8.090 1.00 65.43 C ATOM 346 CG2 ILE A 21 6.290 9.617 -5.835 1.00 62.32 C ATOM 347 CD1 ILE A 21 5.210 8.416 -8.455 1.00 61.42 C ATOM 0 H ILE A 21 8.424 6.555 -7.254 1.00 74.13 H new ATOM 0 HA ILE A 21 8.935 9.327 -6.776 1.00 13.43 H new ATOM 0 HB ILE A 21 6.535 7.531 -6.185 1.00 53.33 H new ATOM 0 HG12 ILE A 21 7.059 9.477 -8.473 1.00 65.43 H new ATOM 0 HG13 ILE A 21 7.227 7.737 -8.592 1.00 65.43 H new ATOM 0 HG21 ILE A 21 5.217 9.602 -6.029 1.00 62.32 H new ATOM 0 HG22 ILE A 21 6.467 9.515 -4.764 1.00 62.32 H new ATOM 0 HG23 ILE A 21 6.709 10.561 -6.184 1.00 62.32 H new ATOM 0 HD11 ILE A 21 5.099 8.479 -9.537 1.00 61.42 H new ATOM 0 HD12 ILE A 21 4.823 7.459 -8.106 1.00 61.42 H new ATOM 0 HD13 ILE A 21 4.653 9.226 -7.985 1.00 61.42 H new ATOM 359 N ILE A 22 8.646 7.315 -4.167 1.00 3.34 N ATOM 360 CA ILE A 22 8.944 7.189 -2.736 1.00 12.54 C ATOM 361 C ILE A 22 10.395 7.610 -2.425 1.00 5.21 C ATOM 362 O ILE A 22 10.636 8.487 -1.587 1.00 24.22 O ATOM 363 CB ILE A 22 8.709 5.736 -2.244 1.00 53.21 C ATOM 364 CG1 ILE A 22 7.254 5.309 -2.507 1.00 33.32 C ATOM 365 CG2 ILE A 22 9.049 5.599 -0.760 1.00 11.02 C ATOM 366 CD1 ILE A 22 6.949 3.878 -2.104 1.00 61.10 C ATOM 0 H ILE A 22 8.337 6.449 -4.608 1.00 3.34 H new ATOM 0 HA ILE A 22 8.265 7.858 -2.207 1.00 12.54 H new ATOM 0 HB ILE A 22 9.372 5.076 -2.804 1.00 53.21 H new ATOM 0 HG12 ILE A 22 6.586 5.979 -1.965 1.00 33.32 H new ATOM 0 HG13 ILE A 22 7.036 5.431 -3.568 1.00 33.32 H new ATOM 0 HG21 ILE A 22 8.876 4.571 -0.440 1.00 11.02 H new ATOM 0 HG22 ILE A 22 10.096 5.857 -0.601 1.00 11.02 H new ATOM 0 HG23 ILE A 22 8.418 6.271 -0.179 1.00 11.02 H new ATOM 0 HD11 ILE A 22 5.905 3.654 -2.321 1.00 61.10 H new ATOM 0 HD12 ILE A 22 7.590 3.198 -2.664 1.00 61.10 H new ATOM 0 HD13 ILE A 22 7.133 3.753 -1.037 1.00 61.10 H new ATOM 378 N LYS A 23 11.355 6.995 -3.119 1.00 72.10 N ATOM 379 CA LYS A 23 12.774 7.334 -2.946 1.00 24.05 C ATOM 380 C LYS A 23 13.064 8.775 -3.398 1.00 13.41 C ATOM 381 O LYS A 23 13.969 9.431 -2.875 1.00 4.14 O ATOM 382 CB LYS A 23 13.667 6.359 -3.724 1.00 24.33 C ATOM 383 CG LYS A 23 13.593 4.913 -3.238 1.00 4.33 C ATOM 384 CD LYS A 23 14.598 4.025 -3.972 1.00 64.31 C ATOM 385 CE LYS A 23 14.590 2.591 -3.454 1.00 13.23 C ATOM 386 NZ LYS A 23 15.642 1.757 -4.103 1.00 43.30 N ATOM 0 H LYS A 23 11.179 6.261 -3.805 1.00 72.10 H new ATOM 0 HA LYS A 23 13.000 7.252 -1.883 1.00 24.05 H new ATOM 0 HB2 LYS A 23 13.388 6.391 -4.777 1.00 24.33 H new ATOM 0 HB3 LYS A 23 14.700 6.700 -3.658 1.00 24.33 H new ATOM 0 HG2 LYS A 23 13.789 4.877 -2.166 1.00 4.33 H new ATOM 0 HG3 LYS A 23 12.585 4.527 -3.391 1.00 4.33 H new ATOM 0 HD2 LYS A 23 14.369 4.025 -5.038 1.00 64.31 H new ATOM 0 HD3 LYS A 23 15.598 4.444 -3.861 1.00 64.31 H new ATOM 0 HE2 LYS A 23 14.744 2.594 -2.375 1.00 13.23 H new ATOM 0 HE3 LYS A 23 13.612 2.146 -3.635 1.00 13.23 H new ATOM 0 HZ1 LYS A 23 15.602 0.790 -3.723 1.00 43.30 H new ATOM 0 HZ2 LYS A 23 15.481 1.732 -5.130 1.00 43.30 H new ATOM 0 HZ3 LYS A 23 16.578 2.167 -3.910 1.00 43.30 H new ATOM 400 N LYS A 24 12.300 9.256 -4.377 1.00 20.31 N ATOM 401 CA LYS A 24 12.420 10.640 -4.849 1.00 2.42 C ATOM 402 C LYS A 24 12.177 11.626 -3.698 1.00 45.11 C ATOM 403 O LYS A 24 12.901 12.608 -3.539 1.00 64.13 O ATOM 404 CB LYS A 24 11.414 10.897 -5.979 1.00 12.31 C ATOM 405 CG LYS A 24 11.676 12.168 -6.783 1.00 3.12 C ATOM 406 CD LYS A 24 10.599 12.400 -7.844 1.00 53.42 C ATOM 407 CE LYS A 24 10.337 11.149 -8.680 1.00 73.33 C ATOM 408 NZ LYS A 24 11.565 10.638 -9.347 1.00 42.10 N ATOM 0 H LYS A 24 11.589 8.709 -4.862 1.00 20.31 H new ATOM 0 HA LYS A 24 13.431 10.791 -5.227 1.00 2.42 H new ATOM 0 HB2 LYS A 24 11.424 10.044 -6.658 1.00 12.31 H new ATOM 0 HB3 LYS A 24 10.413 10.953 -5.551 1.00 12.31 H new ATOM 0 HG2 LYS A 24 11.713 13.024 -6.109 1.00 3.12 H new ATOM 0 HG3 LYS A 24 12.652 12.099 -7.264 1.00 3.12 H new ATOM 0 HD2 LYS A 24 9.674 12.712 -7.359 1.00 53.42 H new ATOM 0 HD3 LYS A 24 10.906 13.215 -8.499 1.00 53.42 H new ATOM 0 HE2 LYS A 24 9.924 10.369 -8.040 1.00 73.33 H new ATOM 0 HE3 LYS A 24 9.584 11.373 -9.436 1.00 73.33 H new ATOM 0 HZ1 LYS A 24 11.354 9.734 -9.817 1.00 42.10 H new ATOM 0 HZ2 LYS A 24 11.889 11.329 -10.054 1.00 42.10 H new ATOM 0 HZ3 LYS A 24 12.311 10.493 -8.637 1.00 42.10 H new ATOM 422 N ASN A 25 11.152 11.351 -2.895 1.00 72.44 N ATOM 423 CA ASN A 25 10.823 12.189 -1.738 1.00 1.12 C ATOM 424 C ASN A 25 11.752 11.912 -0.543 1.00 72.33 C ATOM 425 O ASN A 25 11.980 12.792 0.291 1.00 33.10 O ATOM 426 CB ASN A 25 9.357 11.980 -1.347 1.00 2.31 C ATOM 427 CG ASN A 25 8.416 12.478 -2.429 1.00 22.11 C ATOM 428 OD1 ASN A 25 8.717 13.440 -3.131 1.00 2.31 O ATOM 429 ND2 ASN A 25 7.283 11.832 -2.587 1.00 51.21 N ATOM 0 H ASN A 25 10.531 10.552 -3.023 1.00 72.44 H new ATOM 0 HA ASN A 25 10.974 13.230 -2.023 1.00 1.12 H new ATOM 0 HB2 ASN A 25 9.175 10.921 -1.165 1.00 2.31 H new ATOM 0 HB3 ASN A 25 9.150 12.504 -0.414 1.00 2.31 H new ATOM 0 HD21 ASN A 25 6.625 12.126 -3.309 1.00 51.21 H new ATOM 0 HD22 ASN A 25 7.062 11.037 -1.988 1.00 51.21 H new ATOM 436 N GLY A 26 12.276 10.684 -0.455 1.00 44.02 N ATOM 437 CA GLY A 26 13.258 10.360 0.581 1.00 52.51 C ATOM 438 C GLY A 26 13.025 9.015 1.269 1.00 52.45 C ATOM 439 O GLY A 26 13.980 8.314 1.607 1.00 21.30 O ATOM 0 H GLY A 26 12.041 9.911 -1.078 1.00 44.02 H new ATOM 0 HA2 GLY A 26 14.253 10.359 0.135 1.00 52.51 H new ATOM 0 HA3 GLY A 26 13.247 11.147 1.335 1.00 52.51 H new ATOM 443 N PHE A 27 11.760 8.647 1.458 1.00 3.14 N ATOM 444 CA PHE A 27 11.398 7.437 2.215 1.00 35.12 C ATOM 445 C PHE A 27 11.954 6.144 1.585 1.00 34.12 C ATOM 446 O PHE A 27 12.179 6.066 0.375 1.00 55.52 O ATOM 447 CB PHE A 27 9.870 7.338 2.340 1.00 45.35 C ATOM 448 CG PHE A 27 9.247 8.460 3.137 1.00 22.12 C ATOM 449 CD1 PHE A 27 8.959 9.681 2.542 1.00 1.13 C ATOM 450 CD2 PHE A 27 8.952 8.292 4.483 1.00 64.22 C ATOM 451 CE1 PHE A 27 8.390 10.707 3.273 1.00 73.44 C ATOM 452 CE2 PHE A 27 8.383 9.316 5.216 1.00 33.33 C ATOM 453 CZ PHE A 27 8.102 10.524 4.611 1.00 63.33 C ATOM 0 H PHE A 27 10.960 9.168 1.098 1.00 3.14 H new ATOM 0 HA PHE A 27 11.853 7.532 3.201 1.00 35.12 H new ATOM 0 HB2 PHE A 27 9.433 7.329 1.341 1.00 45.35 H new ATOM 0 HB3 PHE A 27 9.614 6.387 2.808 1.00 45.35 H new ATOM 0 HD1 PHE A 27 9.182 9.831 1.496 1.00 1.13 H new ATOM 0 HD2 PHE A 27 9.170 7.349 4.963 1.00 64.22 H new ATOM 0 HE1 PHE A 27 8.171 11.652 2.798 1.00 73.44 H new ATOM 0 HE2 PHE A 27 8.158 9.171 6.262 1.00 33.33 H new ATOM 0 HZ PHE A 27 7.658 11.325 5.183 1.00 63.33 H new ATOM 463 N LYS A 28 12.179 5.132 2.425 1.00 54.24 N ATOM 464 CA LYS A 28 12.644 3.817 1.962 1.00 21.02 C ATOM 465 C LYS A 28 11.474 2.969 1.430 1.00 72.41 C ATOM 466 O LYS A 28 10.319 3.181 1.800 1.00 65.45 O ATOM 467 CB LYS A 28 13.353 3.072 3.104 1.00 24.04 C ATOM 468 CG LYS A 28 14.730 3.627 3.469 1.00 21.21 C ATOM 469 CD LYS A 28 15.765 3.336 2.379 1.00 42.03 C ATOM 470 CE LYS A 28 17.175 3.734 2.808 1.00 35.51 C ATOM 471 NZ LYS A 28 17.309 5.202 2.999 1.00 24.10 N ATOM 0 H LYS A 28 12.047 5.196 3.434 1.00 54.24 H new ATOM 0 HA LYS A 28 13.348 3.978 1.146 1.00 21.02 H new ATOM 0 HB2 LYS A 28 12.718 3.102 3.989 1.00 24.04 H new ATOM 0 HB3 LYS A 28 13.461 2.024 2.824 1.00 24.04 H new ATOM 0 HG2 LYS A 28 14.659 4.703 3.625 1.00 21.21 H new ATOM 0 HG3 LYS A 28 15.061 3.189 4.411 1.00 21.21 H new ATOM 0 HD2 LYS A 28 15.746 2.274 2.136 1.00 42.03 H new ATOM 0 HD3 LYS A 28 15.497 3.876 1.471 1.00 42.03 H new ATOM 0 HE2 LYS A 28 17.428 3.224 3.737 1.00 35.51 H new ATOM 0 HE3 LYS A 28 17.890 3.400 2.056 1.00 35.51 H new ATOM 0 HZ1 LYS A 28 18.290 5.430 3.257 1.00 24.10 H new ATOM 0 HZ2 LYS A 28 17.060 5.691 2.116 1.00 24.10 H new ATOM 0 HZ3 LYS A 28 16.670 5.513 3.759 1.00 24.10 H new ATOM 485 N VAL A 29 11.785 1.999 0.569 1.00 62.42 N ATOM 486 CA VAL A 29 10.760 1.149 -0.054 1.00 63.13 C ATOM 487 C VAL A 29 10.894 -0.319 0.391 1.00 72.12 C ATOM 488 O VAL A 29 11.868 -0.995 0.050 1.00 12.43 O ATOM 489 CB VAL A 29 10.853 1.224 -1.602 1.00 44.31 C ATOM 490 CG1 VAL A 29 9.737 0.417 -2.266 1.00 32.11 C ATOM 491 CG2 VAL A 29 10.831 2.674 -2.073 1.00 12.21 C ATOM 0 H VAL A 29 12.740 1.779 0.284 1.00 62.42 H new ATOM 0 HA VAL A 29 9.790 1.525 0.273 1.00 63.13 H new ATOM 0 HB VAL A 29 11.803 0.781 -1.902 1.00 44.31 H new ATOM 0 HG11 VAL A 29 9.830 0.490 -3.350 1.00 32.11 H new ATOM 0 HG12 VAL A 29 9.815 -0.628 -1.965 1.00 32.11 H new ATOM 0 HG13 VAL A 29 8.769 0.812 -1.958 1.00 32.11 H new ATOM 0 HG21 VAL A 29 10.897 2.704 -3.161 1.00 12.21 H new ATOM 0 HG22 VAL A 29 9.902 3.147 -1.753 1.00 12.21 H new ATOM 0 HG23 VAL A 29 11.678 3.209 -1.643 1.00 12.21 H new ATOM 501 N ARG A 30 9.911 -0.807 1.151 1.00 14.14 N ATOM 502 CA ARG A 30 9.908 -2.198 1.630 1.00 62.52 C ATOM 503 C ARG A 30 8.921 -3.048 0.813 1.00 62.04 C ATOM 504 O ARG A 30 7.719 -3.052 1.085 1.00 25.11 O ATOM 505 CB ARG A 30 9.538 -2.234 3.123 1.00 32.23 C ATOM 506 CG ARG A 30 9.811 -3.565 3.828 1.00 65.52 C ATOM 507 CD ARG A 30 11.290 -3.952 3.768 1.00 50.34 C ATOM 508 NE ARG A 30 11.669 -4.872 4.842 1.00 14.25 N ATOM 509 CZ ARG A 30 12.385 -5.951 4.677 1.00 21.12 C ATOM 510 NH1 ARG A 30 12.690 -6.373 3.489 1.00 41.14 N ATOM 511 NH2 ARG A 30 12.773 -6.624 5.711 1.00 14.43 N ATOM 0 H ARG A 30 9.103 -0.261 1.450 1.00 14.14 H new ATOM 0 HA ARG A 30 10.906 -2.617 1.501 1.00 62.52 H new ATOM 0 HB2 ARG A 30 10.091 -1.448 3.637 1.00 32.23 H new ATOM 0 HB3 ARG A 30 8.479 -1.997 3.225 1.00 32.23 H new ATOM 0 HG2 ARG A 30 9.496 -3.495 4.869 1.00 65.52 H new ATOM 0 HG3 ARG A 30 9.212 -4.350 3.366 1.00 65.52 H new ATOM 0 HD2 ARG A 30 11.503 -4.415 2.804 1.00 50.34 H new ATOM 0 HD3 ARG A 30 11.901 -3.052 3.831 1.00 50.34 H new ATOM 0 HE ARG A 30 11.351 -4.654 5.786 1.00 14.25 H new ATOM 0 HH11 ARG A 30 12.370 -5.860 2.668 1.00 41.14 H new ATOM 0 HH12 ARG A 30 13.250 -7.218 3.376 1.00 41.14 H new ATOM 0 HH21 ARG A 30 12.519 -6.311 6.648 1.00 14.43 H new ATOM 0 HH22 ARG A 30 13.333 -7.468 5.590 1.00 14.43 H new ATOM 525 N THR A 31 9.429 -3.753 -0.195 1.00 10.23 N ATOM 526 CA THR A 31 8.576 -4.538 -1.099 1.00 25.42 C ATOM 527 C THR A 31 8.197 -5.901 -0.506 1.00 50.24 C ATOM 528 O THR A 31 9.022 -6.818 -0.446 1.00 72.41 O ATOM 529 CB THR A 31 9.258 -4.774 -2.472 1.00 43.23 C ATOM 530 OG1 THR A 31 10.497 -5.485 -2.301 1.00 41.22 O ATOM 531 CG2 THR A 31 9.520 -3.452 -3.190 1.00 12.20 C ATOM 0 H THR A 31 10.425 -3.800 -0.410 1.00 10.23 H new ATOM 0 HA THR A 31 7.672 -3.945 -1.235 1.00 25.42 H new ATOM 0 HB THR A 31 8.581 -5.372 -3.082 1.00 43.23 H new ATOM 0 HG1 THR A 31 10.388 -6.170 -1.608 1.00 41.22 H new ATOM 0 HG21 THR A 31 9.999 -3.648 -4.150 1.00 12.20 H new ATOM 0 HG22 THR A 31 8.575 -2.934 -3.355 1.00 12.20 H new ATOM 0 HG23 THR A 31 10.173 -2.829 -2.579 1.00 12.20 H new ATOM 539 N VAL A 32 6.950 -6.030 -0.066 1.00 62.15 N ATOM 540 CA VAL A 32 6.429 -7.309 0.420 1.00 35.32 C ATOM 541 C VAL A 32 5.937 -8.176 -0.750 1.00 54.22 C ATOM 542 O VAL A 32 5.207 -7.707 -1.623 1.00 34.55 O ATOM 543 CB VAL A 32 5.270 -7.096 1.430 1.00 12.42 C ATOM 544 CG1 VAL A 32 4.640 -8.426 1.845 1.00 10.24 C ATOM 545 CG2 VAL A 32 5.761 -6.324 2.652 1.00 71.23 C ATOM 0 H VAL A 32 6.277 -5.264 -0.035 1.00 62.15 H new ATOM 0 HA VAL A 32 7.246 -7.822 0.928 1.00 35.32 H new ATOM 0 HB VAL A 32 4.498 -6.507 0.935 1.00 12.42 H new ATOM 0 HG11 VAL A 32 3.832 -8.241 2.553 1.00 10.24 H new ATOM 0 HG12 VAL A 32 4.243 -8.931 0.964 1.00 10.24 H new ATOM 0 HG13 VAL A 32 5.396 -9.056 2.314 1.00 10.24 H new ATOM 0 HG21 VAL A 32 4.935 -6.184 3.350 1.00 71.23 H new ATOM 0 HG22 VAL A 32 6.558 -6.885 3.141 1.00 71.23 H new ATOM 0 HG23 VAL A 32 6.141 -5.351 2.339 1.00 71.23 H new ATOM 555 N ARG A 33 6.338 -9.445 -0.754 1.00 60.55 N ATOM 556 CA ARG A 33 5.957 -10.383 -1.825 1.00 4.30 C ATOM 557 C ARG A 33 5.646 -11.784 -1.274 1.00 53.30 C ATOM 558 O ARG A 33 5.249 -12.681 -2.019 1.00 3.13 O ATOM 559 CB ARG A 33 7.084 -10.460 -2.868 1.00 21.53 C ATOM 560 CG ARG A 33 8.465 -10.711 -2.262 1.00 33.30 C ATOM 561 CD ARG A 33 9.565 -10.730 -3.321 1.00 71.23 C ATOM 562 NE ARG A 33 9.560 -9.520 -4.146 1.00 13.30 N ATOM 563 CZ ARG A 33 10.468 -8.583 -4.097 1.00 55.34 C ATOM 564 NH1 ARG A 33 11.425 -8.630 -3.225 1.00 63.11 N ATOM 565 NH2 ARG A 33 10.397 -7.583 -4.916 1.00 43.42 N ATOM 0 H ARG A 33 6.928 -9.855 -0.030 1.00 60.55 H new ATOM 0 HA ARG A 33 5.047 -10.008 -2.294 1.00 4.30 H new ATOM 0 HB2 ARG A 33 6.858 -11.257 -3.577 1.00 21.53 H new ATOM 0 HB3 ARG A 33 7.109 -9.528 -3.433 1.00 21.53 H new ATOM 0 HG2 ARG A 33 8.684 -9.936 -1.527 1.00 33.30 H new ATOM 0 HG3 ARG A 33 8.459 -11.662 -1.730 1.00 33.30 H new ATOM 0 HD2 ARG A 33 10.535 -10.831 -2.833 1.00 71.23 H new ATOM 0 HD3 ARG A 33 9.437 -11.604 -3.960 1.00 71.23 H new ATOM 0 HE ARG A 33 8.792 -9.401 -4.806 1.00 13.30 H new ATOM 0 HH11 ARG A 33 11.476 -9.406 -2.565 1.00 63.11 H new ATOM 0 HH12 ARG A 33 12.127 -7.891 -3.198 1.00 63.11 H new ATOM 0 HH21 ARG A 33 9.636 -7.531 -5.593 1.00 43.42 H new ATOM 0 HH22 ARG A 33 11.102 -6.847 -4.884 1.00 43.42 H new ATOM 579 N SER A 34 5.815 -11.958 0.037 1.00 63.14 N ATOM 580 CA SER A 34 5.598 -13.254 0.694 1.00 72.45 C ATOM 581 C SER A 34 5.089 -13.049 2.128 1.00 12.31 C ATOM 582 O SER A 34 5.372 -12.015 2.741 1.00 3.33 O ATOM 583 CB SER A 34 6.907 -14.062 0.731 1.00 51.13 C ATOM 584 OG SER A 34 7.468 -14.212 -0.565 1.00 15.51 O ATOM 0 H SER A 34 6.104 -11.214 0.672 1.00 63.14 H new ATOM 0 HA SER A 34 4.851 -13.804 0.122 1.00 72.45 H new ATOM 0 HB2 SER A 34 7.624 -13.563 1.383 1.00 51.13 H new ATOM 0 HB3 SER A 34 6.716 -15.045 1.161 1.00 51.13 H new ATOM 0 HG SER A 34 8.299 -14.728 -0.504 1.00 15.51 H new ATOM 590 N PRO A 35 4.338 -14.022 2.691 1.00 32.43 N ATOM 591 CA PRO A 35 3.807 -13.927 4.066 1.00 61.01 C ATOM 592 C PRO A 35 4.888 -13.575 5.109 1.00 52.24 C ATOM 593 O PRO A 35 4.610 -12.881 6.094 1.00 60.41 O ATOM 594 CB PRO A 35 3.218 -15.328 4.336 1.00 71.11 C ATOM 595 CG PRO A 35 3.702 -16.194 3.215 1.00 74.32 C ATOM 596 CD PRO A 35 3.930 -15.280 2.043 1.00 20.41 C ATOM 0 HA PRO A 35 3.075 -13.124 4.152 1.00 61.01 H new ATOM 0 HB2 PRO A 35 3.550 -15.713 5.300 1.00 71.11 H new ATOM 0 HB3 PRO A 35 2.129 -15.296 4.364 1.00 71.11 H new ATOM 0 HG2 PRO A 35 4.622 -16.709 3.491 1.00 74.32 H new ATOM 0 HG3 PRO A 35 2.968 -16.962 2.972 1.00 74.32 H new ATOM 0 HD2 PRO A 35 4.703 -15.662 1.376 1.00 20.41 H new ATOM 0 HD3 PRO A 35 3.027 -15.154 1.446 1.00 20.41 H new ATOM 604 N GLN A 36 6.120 -14.045 4.892 1.00 30.13 N ATOM 605 CA GLN A 36 7.227 -13.727 5.801 1.00 25.30 C ATOM 606 C GLN A 36 7.590 -12.233 5.730 1.00 21.41 C ATOM 607 O GLN A 36 7.799 -11.588 6.756 1.00 23.33 O ATOM 608 CB GLN A 36 8.463 -14.593 5.494 1.00 31.45 C ATOM 609 CG GLN A 36 9.174 -14.248 4.186 1.00 11.22 C ATOM 610 CD GLN A 36 10.417 -15.093 3.943 1.00 43.14 C ATOM 611 OE1 GLN A 36 10.484 -16.252 4.340 1.00 54.13 O ATOM 612 NE2 GLN A 36 11.418 -14.517 3.307 1.00 45.14 N ATOM 0 H GLN A 36 6.375 -14.641 4.104 1.00 30.13 H new ATOM 0 HA GLN A 36 6.894 -13.952 6.814 1.00 25.30 H new ATOM 0 HB2 GLN A 36 9.173 -14.493 6.315 1.00 31.45 H new ATOM 0 HB3 GLN A 36 8.158 -15.639 5.461 1.00 31.45 H new ATOM 0 HG2 GLN A 36 8.481 -14.384 3.356 1.00 11.22 H new ATOM 0 HG3 GLN A 36 9.454 -13.195 4.198 1.00 11.22 H new ATOM 0 HE21 GLN A 36 11.332 -13.552 2.989 1.00 45.14 H new ATOM 0 HE22 GLN A 36 12.278 -15.037 3.133 1.00 45.14 H new ATOM 621 N GLU A 37 7.633 -11.686 4.512 1.00 2.54 N ATOM 622 CA GLU A 37 7.978 -10.274 4.302 1.00 42.15 C ATOM 623 C GLU A 37 7.023 -9.355 5.072 1.00 11.11 C ATOM 624 O GLU A 37 7.445 -8.396 5.711 1.00 33.03 O ATOM 625 CB GLU A 37 7.921 -9.922 2.806 1.00 11.41 C ATOM 626 CG GLU A 37 8.779 -10.807 1.908 1.00 21.03 C ATOM 627 CD GLU A 37 10.259 -10.739 2.242 1.00 41.31 C ATOM 628 OE1 GLU A 37 10.910 -9.740 1.874 1.00 64.35 O ATOM 629 OE2 GLU A 37 10.777 -11.692 2.860 1.00 64.42 O ATOM 0 H GLU A 37 7.433 -12.199 3.654 1.00 2.54 H new ATOM 0 HA GLU A 37 8.992 -10.123 4.673 1.00 42.15 H new ATOM 0 HB2 GLU A 37 6.885 -9.985 2.472 1.00 11.41 H new ATOM 0 HB3 GLU A 37 8.235 -8.886 2.679 1.00 11.41 H new ATOM 0 HG2 GLU A 37 8.440 -11.839 1.995 1.00 21.03 H new ATOM 0 HG3 GLU A 37 8.633 -10.510 0.869 1.00 21.03 H new ATOM 636 N LEU A 38 5.730 -9.661 5.005 1.00 34.24 N ATOM 637 CA LEU A 38 4.711 -8.869 5.702 1.00 41.12 C ATOM 638 C LEU A 38 4.908 -8.930 7.225 1.00 43.23 C ATOM 639 O LEU A 38 4.999 -7.899 7.890 1.00 51.52 O ATOM 640 CB LEU A 38 3.309 -9.373 5.337 1.00 15.01 C ATOM 641 CG LEU A 38 2.144 -8.573 5.946 1.00 24.31 C ATOM 642 CD1 LEU A 38 2.108 -7.155 5.384 1.00 64.05 C ATOM 643 CD2 LEU A 38 0.816 -9.290 5.708 1.00 20.22 C ATOM 0 H LEU A 38 5.360 -10.451 4.476 1.00 34.24 H new ATOM 0 HA LEU A 38 4.815 -7.831 5.385 1.00 41.12 H new ATOM 0 HB2 LEU A 38 3.208 -9.362 4.252 1.00 15.01 H new ATOM 0 HB3 LEU A 38 3.220 -10.412 5.655 1.00 15.01 H new ATOM 0 HG LEU A 38 2.303 -8.503 7.022 1.00 24.31 H new ATOM 0 HD11 LEU A 38 1.276 -6.608 5.829 1.00 64.05 H new ATOM 0 HD12 LEU A 38 3.043 -6.647 5.619 1.00 64.05 H new ATOM 0 HD13 LEU A 38 1.978 -7.195 4.302 1.00 64.05 H new ATOM 0 HD21 LEU A 38 0.005 -8.708 6.146 1.00 20.22 H new ATOM 0 HD22 LEU A 38 0.648 -9.398 4.636 1.00 20.22 H new ATOM 0 HD23 LEU A 38 0.847 -10.276 6.171 1.00 20.22 H new ATOM 655 N LYS A 39 4.991 -10.149 7.761 1.00 44.33 N ATOM 656 CA LYS A 39 5.176 -10.362 9.203 1.00 53.24 C ATOM 657 C LYS A 39 6.397 -9.590 9.733 1.00 42.43 C ATOM 658 O LYS A 39 6.306 -8.861 10.725 1.00 53.51 O ATOM 659 CB LYS A 39 5.347 -11.861 9.495 1.00 63.13 C ATOM 660 CG LYS A 39 5.526 -12.195 10.975 1.00 3.33 C ATOM 661 CD LYS A 39 5.792 -13.685 11.211 1.00 24.24 C ATOM 662 CE LYS A 39 4.562 -14.561 10.957 1.00 61.44 C ATOM 663 NZ LYS A 39 4.151 -14.592 9.525 1.00 31.51 N ATOM 0 H LYS A 39 4.933 -11.010 7.217 1.00 44.33 H new ATOM 0 HA LYS A 39 4.288 -9.987 9.712 1.00 53.24 H new ATOM 0 HB2 LYS A 39 4.475 -12.395 9.117 1.00 63.13 H new ATOM 0 HB3 LYS A 39 6.212 -12.231 8.944 1.00 63.13 H new ATOM 0 HG2 LYS A 39 6.355 -11.613 11.378 1.00 3.33 H new ATOM 0 HG3 LYS A 39 4.632 -11.898 11.522 1.00 3.33 H new ATOM 0 HD2 LYS A 39 6.604 -14.011 10.560 1.00 24.24 H new ATOM 0 HD3 LYS A 39 6.129 -13.830 12.238 1.00 24.24 H new ATOM 0 HE2 LYS A 39 4.772 -15.577 11.290 1.00 61.44 H new ATOM 0 HE3 LYS A 39 3.731 -14.193 11.559 1.00 61.44 H new ATOM 0 HZ1 LYS A 39 3.830 -15.550 9.277 1.00 31.51 H new ATOM 0 HZ2 LYS A 39 3.375 -13.916 9.372 1.00 31.51 H new ATOM 0 HZ3 LYS A 39 4.960 -14.332 8.926 1.00 31.51 H new ATOM 677 N ASP A 40 7.531 -9.754 9.055 1.00 21.31 N ATOM 678 CA ASP A 40 8.782 -9.106 9.459 1.00 75.14 C ATOM 679 C ASP A 40 8.749 -7.580 9.252 1.00 24.50 C ATOM 680 O ASP A 40 9.091 -6.819 10.157 1.00 32.53 O ATOM 681 CB ASP A 40 9.961 -9.719 8.692 1.00 53.34 C ATOM 682 CG ASP A 40 10.180 -11.178 9.054 1.00 54.30 C ATOM 683 OD1 ASP A 40 10.346 -11.474 10.259 1.00 62.31 O ATOM 684 OD2 ASP A 40 10.193 -12.037 8.145 1.00 14.30 O ATOM 0 H ASP A 40 7.612 -10.333 8.219 1.00 21.31 H new ATOM 0 HA ASP A 40 8.907 -9.281 10.528 1.00 75.14 H new ATOM 0 HB2 ASP A 40 9.779 -9.635 7.621 1.00 53.34 H new ATOM 0 HB3 ASP A 40 10.867 -9.152 8.907 1.00 53.34 H new ATOM 689 N SER A 41 8.332 -7.140 8.065 1.00 72.24 N ATOM 690 CA SER A 41 8.305 -5.704 7.721 1.00 11.53 C ATOM 691 C SER A 41 7.561 -4.874 8.776 1.00 74.04 C ATOM 692 O SER A 41 8.064 -3.858 9.255 1.00 70.04 O ATOM 693 CB SER A 41 7.639 -5.493 6.352 1.00 64.45 C ATOM 694 OG SER A 41 6.271 -5.864 6.381 1.00 34.23 O ATOM 0 H SER A 41 8.006 -7.753 7.318 1.00 72.24 H new ATOM 0 HA SER A 41 9.341 -5.365 7.687 1.00 11.53 H new ATOM 0 HB2 SER A 41 7.728 -4.447 6.060 1.00 64.45 H new ATOM 0 HB3 SER A 41 8.161 -6.081 5.597 1.00 64.45 H new ATOM 0 HG SER A 41 6.168 -6.695 6.891 1.00 34.23 H new ATOM 700 N ILE A 42 6.365 -5.324 9.139 1.00 2.23 N ATOM 701 CA ILE A 42 5.527 -4.620 10.114 1.00 30.22 C ATOM 702 C ILE A 42 6.229 -4.460 11.476 1.00 30.53 C ATOM 703 O ILE A 42 6.210 -3.379 12.070 1.00 41.11 O ATOM 704 CB ILE A 42 4.173 -5.347 10.304 1.00 21.44 C ATOM 705 CG1 ILE A 42 3.396 -5.364 8.976 1.00 63.41 C ATOM 706 CG2 ILE A 42 3.351 -4.680 11.407 1.00 32.12 C ATOM 707 CD1 ILE A 42 2.078 -6.107 9.040 1.00 54.13 C ATOM 0 H ILE A 42 5.948 -6.179 8.772 1.00 2.23 H new ATOM 0 HA ILE A 42 5.347 -3.623 9.711 1.00 30.22 H new ATOM 0 HB ILE A 42 4.366 -6.376 10.608 1.00 21.44 H new ATOM 0 HG12 ILE A 42 3.207 -4.337 8.665 1.00 63.41 H new ATOM 0 HG13 ILE A 42 4.021 -5.820 8.208 1.00 63.41 H new ATOM 0 HG21 ILE A 42 2.404 -5.207 11.524 1.00 32.12 H new ATOM 0 HG22 ILE A 42 3.904 -4.716 12.345 1.00 32.12 H new ATOM 0 HG23 ILE A 42 3.158 -3.641 11.139 1.00 32.12 H new ATOM 0 HD11 ILE A 42 1.593 -6.072 8.064 1.00 54.13 H new ATOM 0 HD12 ILE A 42 2.259 -7.145 9.319 1.00 54.13 H new ATOM 0 HD13 ILE A 42 1.432 -5.639 9.783 1.00 54.13 H new ATOM 719 N GLU A 43 6.858 -5.529 11.965 1.00 3.50 N ATOM 720 CA GLU A 43 7.533 -5.477 13.267 1.00 44.23 C ATOM 721 C GLU A 43 8.858 -4.699 13.188 1.00 23.25 C ATOM 722 O GLU A 43 9.343 -4.191 14.198 1.00 63.24 O ATOM 723 CB GLU A 43 7.758 -6.884 13.833 1.00 71.41 C ATOM 724 CG GLU A 43 8.670 -7.764 12.991 1.00 61.01 C ATOM 725 CD GLU A 43 8.873 -9.137 13.604 1.00 62.20 C ATOM 726 OE1 GLU A 43 8.042 -10.033 13.361 1.00 54.44 O ATOM 727 OE2 GLU A 43 9.861 -9.326 14.349 1.00 25.23 O ATOM 0 H GLU A 43 6.916 -6.430 11.490 1.00 3.50 H new ATOM 0 HA GLU A 43 6.875 -4.940 13.950 1.00 44.23 H new ATOM 0 HB2 GLU A 43 8.181 -6.796 14.834 1.00 71.41 H new ATOM 0 HB3 GLU A 43 6.792 -7.379 13.938 1.00 71.41 H new ATOM 0 HG2 GLU A 43 8.245 -7.873 11.993 1.00 61.01 H new ATOM 0 HG3 GLU A 43 9.637 -7.274 12.874 1.00 61.01 H new ATOM 734 N GLU A 44 9.446 -4.603 11.993 1.00 14.32 N ATOM 735 CA GLU A 44 10.603 -3.721 11.786 1.00 40.42 C ATOM 736 C GLU A 44 10.194 -2.253 11.971 1.00 41.40 C ATOM 737 O GLU A 44 10.823 -1.514 12.725 1.00 74.33 O ATOM 738 CB GLU A 44 11.203 -3.895 10.379 1.00 61.45 C ATOM 739 CG GLU A 44 11.767 -5.281 10.087 1.00 63.42 C ATOM 740 CD GLU A 44 12.442 -5.358 8.719 1.00 60.34 C ATOM 741 OE1 GLU A 44 11.798 -4.999 7.709 1.00 11.53 O ATOM 742 OE2 GLU A 44 13.616 -5.780 8.646 1.00 4.02 O ATOM 0 H GLU A 44 9.147 -5.116 11.163 1.00 14.32 H new ATOM 0 HA GLU A 44 11.355 -3.996 12.525 1.00 40.42 H new ATOM 0 HB2 GLU A 44 10.433 -3.670 9.641 1.00 61.45 H new ATOM 0 HB3 GLU A 44 11.997 -3.160 10.245 1.00 61.45 H new ATOM 0 HG2 GLU A 44 12.488 -5.547 10.860 1.00 63.42 H new ATOM 0 HG3 GLU A 44 10.963 -6.015 10.134 1.00 63.42 H new ATOM 749 N LEU A 45 9.117 -1.860 11.289 1.00 23.33 N ATOM 750 CA LEU A 45 8.639 -0.466 11.278 1.00 42.12 C ATOM 751 C LEU A 45 8.341 0.079 12.689 1.00 12.34 C ATOM 752 O LEU A 45 8.524 1.270 12.955 1.00 44.31 O ATOM 753 CB LEU A 45 7.384 -0.360 10.396 1.00 53.40 C ATOM 754 CG LEU A 45 7.581 -0.767 8.925 1.00 45.44 C ATOM 755 CD1 LEU A 45 6.259 -0.710 8.166 1.00 71.45 C ATOM 756 CD2 LEU A 45 8.630 0.118 8.256 1.00 31.41 C ATOM 0 H LEU A 45 8.548 -2.494 10.728 1.00 23.33 H new ATOM 0 HA LEU A 45 9.442 0.147 10.869 1.00 42.12 H new ATOM 0 HB2 LEU A 45 6.602 -0.985 10.828 1.00 53.40 H new ATOM 0 HB3 LEU A 45 7.024 0.668 10.427 1.00 53.40 H new ATOM 0 HG LEU A 45 7.940 -1.796 8.901 1.00 45.44 H new ATOM 0 HD11 LEU A 45 6.422 -1.002 7.128 1.00 71.45 H new ATOM 0 HD12 LEU A 45 5.545 -1.393 8.627 1.00 71.45 H new ATOM 0 HD13 LEU A 45 5.864 0.305 8.200 1.00 71.45 H new ATOM 0 HD21 LEU A 45 8.754 -0.187 7.217 1.00 31.41 H new ATOM 0 HD22 LEU A 45 8.306 1.158 8.293 1.00 31.41 H new ATOM 0 HD23 LEU A 45 9.580 0.015 8.780 1.00 31.41 H new ATOM 768 N VAL A 46 7.872 -0.784 13.590 1.00 10.51 N ATOM 769 CA VAL A 46 7.568 -0.361 14.964 1.00 1.13 C ATOM 770 C VAL A 46 8.851 -0.192 15.803 1.00 12.14 C ATOM 771 O VAL A 46 8.894 0.611 16.738 1.00 34.15 O ATOM 772 CB VAL A 46 6.602 -1.353 15.666 1.00 41.50 C ATOM 773 CG1 VAL A 46 7.252 -2.721 15.855 1.00 34.04 C ATOM 774 CG2 VAL A 46 6.116 -0.790 17.003 1.00 13.14 C ATOM 0 H VAL A 46 7.695 -1.770 13.400 1.00 10.51 H new ATOM 0 HA VAL A 46 7.074 0.608 14.892 1.00 1.13 H new ATOM 0 HB VAL A 46 5.735 -1.484 15.019 1.00 41.50 H new ATOM 0 HG11 VAL A 46 6.550 -3.392 16.349 1.00 34.04 H new ATOM 0 HG12 VAL A 46 7.524 -3.132 14.883 1.00 34.04 H new ATOM 0 HG13 VAL A 46 8.147 -2.617 16.468 1.00 34.04 H new ATOM 0 HG21 VAL A 46 5.441 -1.504 17.475 1.00 13.14 H new ATOM 0 HG22 VAL A 46 6.971 -0.613 17.656 1.00 13.14 H new ATOM 0 HG23 VAL A 46 5.590 0.149 16.833 1.00 13.14 H new ATOM 784 N LYS A 47 9.896 -0.943 15.453 1.00 52.52 N ATOM 785 CA LYS A 47 11.191 -0.848 16.142 1.00 34.05 C ATOM 786 C LYS A 47 12.023 0.314 15.580 1.00 63.15 C ATOM 787 O LYS A 47 12.427 1.228 16.305 1.00 3.01 O ATOM 788 CB LYS A 47 11.982 -2.158 15.977 1.00 25.13 C ATOM 789 CG LYS A 47 11.258 -3.401 16.485 1.00 43.15 C ATOM 790 CD LYS A 47 11.091 -3.391 18.000 1.00 51.42 C ATOM 791 CE LYS A 47 10.386 -4.650 18.494 1.00 40.23 C ATOM 792 NZ LYS A 47 11.097 -5.897 18.090 1.00 34.52 N ATOM 0 H LYS A 47 9.874 -1.626 14.696 1.00 52.52 H new ATOM 0 HA LYS A 47 10.995 -0.669 17.199 1.00 34.05 H new ATOM 0 HB2 LYS A 47 12.217 -2.296 14.922 1.00 25.13 H new ATOM 0 HB3 LYS A 47 12.931 -2.064 16.505 1.00 25.13 H new ATOM 0 HG2 LYS A 47 10.277 -3.466 16.013 1.00 43.15 H new ATOM 0 HG3 LYS A 47 11.814 -4.290 16.188 1.00 43.15 H new ATOM 0 HD2 LYS A 47 12.069 -3.311 18.474 1.00 51.42 H new ATOM 0 HD3 LYS A 47 10.519 -2.512 18.298 1.00 51.42 H new ATOM 0 HE2 LYS A 47 10.307 -4.616 19.581 1.00 40.23 H new ATOM 0 HE3 LYS A 47 9.369 -4.671 18.101 1.00 40.23 H new ATOM 0 HZ1 LYS A 47 10.726 -6.701 18.636 1.00 34.52 H new ATOM 0 HZ2 LYS A 47 10.947 -6.069 17.075 1.00 34.52 H new ATOM 0 HZ3 LYS A 47 12.115 -5.792 18.276 1.00 34.52 H new ATOM 806 N LYS A 48 12.283 0.253 14.276 1.00 53.23 N ATOM 807 CA LYS A 48 13.092 1.248 13.566 1.00 5.02 C ATOM 808 C LYS A 48 12.527 1.466 12.153 1.00 44.14 C ATOM 809 O LYS A 48 11.428 1.017 11.842 1.00 10.32 O ATOM 810 CB LYS A 48 14.551 0.764 13.457 1.00 63.20 C ATOM 811 CG LYS A 48 15.196 0.398 14.790 1.00 72.21 C ATOM 812 CD LYS A 48 16.600 -0.170 14.601 1.00 64.33 C ATOM 813 CE LYS A 48 17.244 -0.560 15.928 1.00 73.20 C ATOM 814 NZ LYS A 48 17.365 0.597 16.862 1.00 4.33 N ATOM 0 H LYS A 48 11.936 -0.494 13.675 1.00 53.23 H new ATOM 0 HA LYS A 48 13.062 2.185 14.122 1.00 5.02 H new ATOM 0 HB2 LYS A 48 14.584 -0.106 12.801 1.00 63.20 H new ATOM 0 HB3 LYS A 48 15.145 1.545 12.982 1.00 63.20 H new ATOM 0 HG2 LYS A 48 15.244 1.282 15.426 1.00 72.21 H new ATOM 0 HG3 LYS A 48 14.574 -0.333 15.307 1.00 72.21 H new ATOM 0 HD2 LYS A 48 16.553 -1.044 13.951 1.00 64.33 H new ATOM 0 HD3 LYS A 48 17.225 0.568 14.098 1.00 64.33 H new ATOM 0 HE2 LYS A 48 16.652 -1.344 16.400 1.00 73.20 H new ATOM 0 HE3 LYS A 48 18.233 -0.977 15.740 1.00 73.20 H new ATOM 0 HZ1 LYS A 48 17.941 0.322 17.683 1.00 4.33 H new ATOM 0 HZ2 LYS A 48 17.820 1.393 16.371 1.00 4.33 H new ATOM 0 HZ3 LYS A 48 16.419 0.884 17.184 1.00 4.33 H new ATOM 828 N TYR A 49 13.282 2.166 11.308 1.00 64.14 N ATOM 829 CA TYR A 49 12.954 2.291 9.875 1.00 4.34 C ATOM 830 C TYR A 49 11.546 2.874 9.635 1.00 15.25 C ATOM 831 O TYR A 49 10.950 2.635 8.587 1.00 71.01 O ATOM 832 CB TYR A 49 13.055 0.918 9.183 1.00 54.21 C ATOM 833 CG TYR A 49 14.313 0.137 9.527 1.00 14.42 C ATOM 834 CD1 TYR A 49 15.570 0.588 9.138 1.00 54.42 C ATOM 835 CD2 TYR A 49 14.240 -1.046 10.260 1.00 10.45 C ATOM 836 CE1 TYR A 49 16.713 -0.117 9.463 1.00 44.31 C ATOM 837 CE2 TYR A 49 15.381 -1.752 10.590 1.00 72.03 C ATOM 838 CZ TYR A 49 16.613 -1.284 10.189 1.00 15.30 C ATOM 839 OH TYR A 49 17.753 -1.984 10.522 1.00 22.52 O ATOM 0 H TYR A 49 14.130 2.660 11.585 1.00 64.14 H new ATOM 0 HA TYR A 49 13.679 2.985 9.450 1.00 4.34 H new ATOM 0 HB2 TYR A 49 12.185 0.321 9.456 1.00 54.21 H new ATOM 0 HB3 TYR A 49 13.015 1.064 8.104 1.00 54.21 H new ATOM 0 HD1 TYR A 49 15.654 1.504 8.573 1.00 54.42 H new ATOM 0 HD2 TYR A 49 13.276 -1.417 10.575 1.00 10.45 H new ATOM 0 HE1 TYR A 49 17.681 0.245 9.149 1.00 44.31 H new ATOM 0 HE2 TYR A 49 15.307 -2.667 11.160 1.00 72.03 H new ATOM 0 HH TYR A 49 17.508 -2.782 11.035 1.00 22.52 H new ATOM 849 N ASN A 50 11.037 3.659 10.584 1.00 62.02 N ATOM 850 CA ASN A 50 9.685 4.237 10.476 1.00 14.15 C ATOM 851 C ASN A 50 9.531 5.078 9.192 1.00 3.23 C ATOM 852 O ASN A 50 8.419 5.321 8.720 1.00 10.33 O ATOM 853 CB ASN A 50 9.369 5.090 11.714 1.00 31.34 C ATOM 854 CG ASN A 50 7.893 5.452 11.815 1.00 4.40 C ATOM 855 OD1 ASN A 50 7.108 4.736 12.427 1.00 43.11 O ATOM 856 ND2 ASN A 50 7.500 6.558 11.213 1.00 32.30 N ATOM 0 H ASN A 50 11.534 3.913 11.437 1.00 62.02 H new ATOM 0 HA ASN A 50 8.974 3.413 10.422 1.00 14.15 H new ATOM 0 HB2 ASN A 50 9.668 4.547 12.611 1.00 31.34 H new ATOM 0 HB3 ASN A 50 9.962 6.004 11.682 1.00 31.34 H new ATOM 0 HD21 ASN A 50 6.520 6.838 11.249 1.00 32.30 H new ATOM 0 HD22 ASN A 50 8.176 7.134 10.711 1.00 32.30 H new ATOM 863 N ALA A 51 10.657 5.517 8.629 1.00 45.22 N ATOM 864 CA ALA A 51 10.665 6.262 7.363 1.00 71.04 C ATOM 865 C ALA A 51 10.657 5.321 6.141 1.00 74.13 C ATOM 866 O ALA A 51 10.972 5.733 5.022 1.00 33.32 O ATOM 867 CB ALA A 51 11.881 7.180 7.314 1.00 52.34 C ATOM 0 H ALA A 51 11.583 5.370 9.031 1.00 45.22 H new ATOM 0 HA ALA A 51 9.754 6.858 7.320 1.00 71.04 H new ATOM 0 HB1 ALA A 51 11.883 7.731 6.373 1.00 52.34 H new ATOM 0 HB2 ALA A 51 11.840 7.883 8.146 1.00 52.34 H new ATOM 0 HB3 ALA A 51 12.790 6.584 7.387 1.00 52.34 H new ATOM 873 N THR A 52 10.294 4.059 6.362 1.00 43.21 N ATOM 874 CA THR A 52 10.230 3.058 5.286 1.00 42.21 C ATOM 875 C THR A 52 8.779 2.703 4.945 1.00 51.44 C ATOM 876 O THR A 52 8.061 2.133 5.766 1.00 1.40 O ATOM 877 CB THR A 52 10.977 1.757 5.679 1.00 21.35 C ATOM 878 OG1 THR A 52 12.333 2.053 6.046 1.00 70.33 O ATOM 879 CG2 THR A 52 10.974 0.744 4.536 1.00 2.02 C ATOM 0 H THR A 52 10.037 3.699 7.281 1.00 43.21 H new ATOM 0 HA THR A 52 10.712 3.503 4.416 1.00 42.21 H new ATOM 0 HB THR A 52 10.452 1.322 6.529 1.00 21.35 H new ATOM 0 HG1 THR A 52 12.877 1.242 5.968 1.00 70.33 H new ATOM 0 HG21 THR A 52 11.506 -0.156 4.846 1.00 2.02 H new ATOM 0 HG22 THR A 52 9.946 0.488 4.280 1.00 2.02 H new ATOM 0 HG23 THR A 52 11.468 1.176 3.666 1.00 2.02 H new ATOM 887 N ILE A 53 8.347 3.035 3.731 1.00 0.03 N ATOM 888 CA ILE A 53 6.984 2.725 3.294 1.00 63.42 C ATOM 889 C ILE A 53 6.857 1.251 2.875 1.00 30.14 C ATOM 890 O ILE A 53 7.588 0.773 2.001 1.00 42.11 O ATOM 891 CB ILE A 53 6.541 3.637 2.122 1.00 41.54 C ATOM 892 CG1 ILE A 53 6.628 5.120 2.535 1.00 14.30 C ATOM 893 CG2 ILE A 53 5.122 3.281 1.674 1.00 22.41 C ATOM 894 CD1 ILE A 53 6.134 6.091 1.481 1.00 14.50 C ATOM 0 H ILE A 53 8.916 3.516 3.034 1.00 0.03 H new ATOM 0 HA ILE A 53 6.329 2.910 4.145 1.00 63.42 H new ATOM 0 HB ILE A 53 7.214 3.475 1.280 1.00 41.54 H new ATOM 0 HG12 ILE A 53 6.049 5.266 3.447 1.00 14.30 H new ATOM 0 HG13 ILE A 53 7.664 5.358 2.775 1.00 14.30 H new ATOM 0 HG21 ILE A 53 4.827 3.931 0.850 1.00 22.41 H new ATOM 0 HG22 ILE A 53 5.094 2.242 1.345 1.00 22.41 H new ATOM 0 HG23 ILE A 53 4.433 3.416 2.508 1.00 22.41 H new ATOM 0 HD11 ILE A 53 6.230 7.111 1.853 1.00 14.50 H new ATOM 0 HD12 ILE A 53 6.728 5.977 0.574 1.00 14.50 H new ATOM 0 HD13 ILE A 53 5.088 5.884 1.257 1.00 14.50 H new ATOM 906 N VAL A 54 5.932 0.533 3.506 1.00 61.24 N ATOM 907 CA VAL A 54 5.715 -0.884 3.205 1.00 23.34 C ATOM 908 C VAL A 54 4.757 -1.070 2.012 1.00 20.01 C ATOM 909 O VAL A 54 3.577 -0.714 2.070 1.00 51.13 O ATOM 910 CB VAL A 54 5.187 -1.648 4.449 1.00 54.03 C ATOM 911 CG1 VAL A 54 3.918 -1.001 5.002 1.00 74.42 C ATOM 912 CG2 VAL A 54 4.957 -3.124 4.123 1.00 72.25 C ATOM 0 H VAL A 54 5.319 0.907 4.230 1.00 61.24 H new ATOM 0 HA VAL A 54 6.682 -1.305 2.928 1.00 23.34 H new ATOM 0 HB VAL A 54 5.950 -1.589 5.226 1.00 54.03 H new ATOM 0 HG11 VAL A 54 3.574 -1.560 5.872 1.00 74.42 H new ATOM 0 HG12 VAL A 54 4.131 0.028 5.292 1.00 74.42 H new ATOM 0 HG13 VAL A 54 3.142 -1.009 4.236 1.00 74.42 H new ATOM 0 HG21 VAL A 54 4.587 -3.639 5.010 1.00 72.25 H new ATOM 0 HG22 VAL A 54 4.224 -3.210 3.321 1.00 72.25 H new ATOM 0 HG23 VAL A 54 5.896 -3.577 3.805 1.00 72.25 H new ATOM 922 N VAL A 55 5.281 -1.625 0.923 1.00 11.10 N ATOM 923 CA VAL A 55 4.495 -1.852 -0.293 1.00 72.22 C ATOM 924 C VAL A 55 4.195 -3.345 -0.493 1.00 32.35 C ATOM 925 O VAL A 55 5.082 -4.129 -0.832 1.00 34.10 O ATOM 926 CB VAL A 55 5.232 -1.309 -1.543 1.00 23.14 C ATOM 927 CG1 VAL A 55 4.383 -1.498 -2.799 1.00 40.51 C ATOM 928 CG2 VAL A 55 5.608 0.160 -1.354 1.00 64.14 C ATOM 0 H VAL A 55 6.252 -1.929 0.855 1.00 11.10 H new ATOM 0 HA VAL A 55 3.555 -1.315 -0.169 1.00 72.22 H new ATOM 0 HB VAL A 55 6.152 -1.880 -1.670 1.00 23.14 H new ATOM 0 HG11 VAL A 55 4.921 -1.109 -3.664 1.00 40.51 H new ATOM 0 HG12 VAL A 55 4.180 -2.559 -2.945 1.00 40.51 H new ATOM 0 HG13 VAL A 55 3.441 -0.961 -2.686 1.00 40.51 H new ATOM 0 HG21 VAL A 55 6.124 0.521 -2.244 1.00 64.14 H new ATOM 0 HG22 VAL A 55 4.705 0.749 -1.195 1.00 64.14 H new ATOM 0 HG23 VAL A 55 6.263 0.259 -0.489 1.00 64.14 H new ATOM 938 N VAL A 56 2.942 -3.730 -0.277 1.00 24.41 N ATOM 939 CA VAL A 56 2.518 -5.126 -0.423 1.00 73.22 C ATOM 940 C VAL A 56 2.090 -5.431 -1.868 1.00 65.31 C ATOM 941 O VAL A 56 1.018 -5.013 -2.314 1.00 43.41 O ATOM 942 CB VAL A 56 1.351 -5.462 0.543 1.00 23.42 C ATOM 943 CG1 VAL A 56 0.989 -6.946 0.470 1.00 51.12 C ATOM 944 CG2 VAL A 56 1.705 -5.055 1.973 1.00 4.50 C ATOM 0 H VAL A 56 2.195 -3.094 0.002 1.00 24.41 H new ATOM 0 HA VAL A 56 3.377 -5.748 -0.171 1.00 73.22 H new ATOM 0 HB VAL A 56 0.476 -4.891 0.232 1.00 23.42 H new ATOM 0 HG11 VAL A 56 0.169 -7.155 1.157 1.00 51.12 H new ATOM 0 HG12 VAL A 56 0.684 -7.197 -0.546 1.00 51.12 H new ATOM 0 HG13 VAL A 56 1.856 -7.546 0.747 1.00 51.12 H new ATOM 0 HG21 VAL A 56 0.875 -5.298 2.637 1.00 4.50 H new ATOM 0 HG22 VAL A 56 2.596 -5.594 2.295 1.00 4.50 H new ATOM 0 HG23 VAL A 56 1.896 -3.983 2.009 1.00 4.50 H new ATOM 954 N VAL A 57 2.939 -6.151 -2.599 1.00 13.34 N ATOM 955 CA VAL A 57 2.641 -6.525 -3.986 1.00 14.30 C ATOM 956 C VAL A 57 1.773 -7.790 -4.037 1.00 52.13 C ATOM 957 O VAL A 57 2.204 -8.880 -3.648 1.00 63.42 O ATOM 958 CB VAL A 57 3.935 -6.754 -4.803 1.00 73.21 C ATOM 959 CG1 VAL A 57 3.613 -6.982 -6.281 1.00 3.11 C ATOM 960 CG2 VAL A 57 4.892 -5.578 -4.628 1.00 23.04 C ATOM 0 H VAL A 57 3.839 -6.488 -2.257 1.00 13.34 H new ATOM 0 HA VAL A 57 2.092 -5.695 -4.431 1.00 14.30 H new ATOM 0 HB VAL A 57 4.425 -7.652 -4.426 1.00 73.21 H new ATOM 0 HG11 VAL A 57 4.538 -7.141 -6.835 1.00 3.11 H new ATOM 0 HG12 VAL A 57 2.974 -7.859 -6.383 1.00 3.11 H new ATOM 0 HG13 VAL A 57 3.097 -6.109 -6.680 1.00 3.11 H new ATOM 0 HG21 VAL A 57 5.797 -5.756 -5.209 1.00 23.04 H new ATOM 0 HG22 VAL A 57 4.412 -4.663 -4.975 1.00 23.04 H new ATOM 0 HG23 VAL A 57 5.152 -5.474 -3.575 1.00 23.04 H new ATOM 970 N VAL A 58 0.547 -7.639 -4.527 1.00 11.00 N ATOM 971 CA VAL A 58 -0.425 -8.732 -4.527 1.00 33.44 C ATOM 972 C VAL A 58 -0.884 -9.115 -5.944 1.00 11.15 C ATOM 973 O VAL A 58 -0.591 -8.425 -6.923 1.00 52.02 O ATOM 974 CB VAL A 58 -1.663 -8.365 -3.671 1.00 13.35 C ATOM 975 CG1 VAL A 58 -1.261 -8.118 -2.218 1.00 70.03 C ATOM 976 CG2 VAL A 58 -2.382 -7.146 -4.249 1.00 63.55 C ATOM 0 H VAL A 58 0.200 -6.769 -4.931 1.00 11.00 H new ATOM 0 HA VAL A 58 0.083 -9.594 -4.094 1.00 33.44 H new ATOM 0 HB VAL A 58 -2.354 -9.208 -3.695 1.00 13.35 H new ATOM 0 HG11 VAL A 58 -2.145 -7.862 -1.634 1.00 70.03 H new ATOM 0 HG12 VAL A 58 -0.805 -9.019 -1.809 1.00 70.03 H new ATOM 0 HG13 VAL A 58 -0.546 -7.297 -2.173 1.00 70.03 H new ATOM 0 HG21 VAL A 58 -3.248 -6.907 -3.631 1.00 63.55 H new ATOM 0 HG22 VAL A 58 -1.701 -6.295 -4.264 1.00 63.55 H new ATOM 0 HG23 VAL A 58 -2.711 -7.365 -5.265 1.00 63.55 H new ATOM 986 N ASP A 59 -1.605 -10.229 -6.029 1.00 34.14 N ATOM 987 CA ASP A 59 -2.163 -10.720 -7.294 1.00 13.03 C ATOM 988 C ASP A 59 -3.459 -11.507 -7.042 1.00 73.13 C ATOM 989 O ASP A 59 -4.430 -11.389 -7.792 1.00 62.02 O ATOM 990 CB ASP A 59 -1.134 -11.595 -8.026 1.00 60.53 C ATOM 991 CG ASP A 59 -0.694 -12.793 -7.203 1.00 33.22 C ATOM 992 OD1 ASP A 59 0.137 -12.619 -6.287 1.00 14.30 O ATOM 993 OD2 ASP A 59 -1.185 -13.910 -7.456 1.00 72.05 O ATOM 0 H ASP A 59 -1.821 -10.820 -5.226 1.00 34.14 H new ATOM 0 HA ASP A 59 -2.400 -9.863 -7.925 1.00 13.03 H new ATOM 0 HB2 ASP A 59 -1.562 -11.942 -8.966 1.00 60.53 H new ATOM 0 HB3 ASP A 59 -0.262 -10.991 -8.276 1.00 60.53 H new ATOM 998 N ASP A 60 -3.458 -12.313 -5.983 1.00 40.43 N ATOM 999 CA ASP A 60 -4.649 -13.048 -5.549 1.00 53.25 C ATOM 1000 C ASP A 60 -5.473 -12.216 -4.543 1.00 33.43 C ATOM 1001 O ASP A 60 -4.910 -11.502 -3.708 1.00 1.24 O ATOM 1002 CB ASP A 60 -4.218 -14.381 -4.927 1.00 10.44 C ATOM 1003 CG ASP A 60 -5.383 -15.171 -4.369 1.00 2.31 C ATOM 1004 OD1 ASP A 60 -6.077 -15.853 -5.146 1.00 65.32 O ATOM 1005 OD2 ASP A 60 -5.613 -15.112 -3.150 1.00 32.24 O ATOM 0 H ASP A 60 -2.636 -12.476 -5.402 1.00 40.43 H new ATOM 0 HA ASP A 60 -5.285 -13.242 -6.413 1.00 53.25 H new ATOM 0 HB2 ASP A 60 -3.706 -14.980 -5.680 1.00 10.44 H new ATOM 0 HB3 ASP A 60 -3.500 -14.190 -4.130 1.00 10.44 H new ATOM 1010 N LYS A 61 -6.804 -12.318 -4.622 1.00 33.53 N ATOM 1011 CA LYS A 61 -7.696 -11.513 -3.773 1.00 23.25 C ATOM 1012 C LYS A 61 -7.569 -11.898 -2.286 1.00 45.33 C ATOM 1013 O LYS A 61 -7.511 -11.026 -1.419 1.00 33.20 O ATOM 1014 CB LYS A 61 -9.154 -11.652 -4.244 1.00 63.22 C ATOM 1015 CG LYS A 61 -10.079 -10.551 -3.718 1.00 73.22 C ATOM 1016 CD LYS A 61 -11.486 -10.648 -4.312 1.00 53.22 C ATOM 1017 CE LYS A 61 -12.310 -11.764 -3.672 1.00 23.00 C ATOM 1018 NZ LYS A 61 -12.683 -11.439 -2.270 1.00 4.35 N ATOM 0 H LYS A 61 -7.288 -12.947 -5.262 1.00 33.53 H new ATOM 0 HA LYS A 61 -7.392 -10.471 -3.869 1.00 23.25 H new ATOM 0 HB2 LYS A 61 -9.177 -11.643 -5.334 1.00 63.22 H new ATOM 0 HB3 LYS A 61 -9.539 -12.621 -3.925 1.00 63.22 H new ATOM 0 HG2 LYS A 61 -10.139 -10.617 -2.632 1.00 73.22 H new ATOM 0 HG3 LYS A 61 -9.653 -9.576 -3.955 1.00 73.22 H new ATOM 0 HD2 LYS A 61 -12.001 -9.697 -4.178 1.00 53.22 H new ATOM 0 HD3 LYS A 61 -11.414 -10.823 -5.385 1.00 53.22 H new ATOM 0 HE2 LYS A 61 -13.213 -11.932 -4.259 1.00 23.00 H new ATOM 0 HE3 LYS A 61 -11.740 -12.693 -3.691 1.00 23.00 H new ATOM 0 HZ1 LYS A 61 -13.311 -12.179 -1.897 1.00 4.35 H new ATOM 0 HZ2 LYS A 61 -11.824 -11.387 -1.685 1.00 4.35 H new ATOM 0 HZ3 LYS A 61 -13.175 -10.523 -2.245 1.00 4.35 H new ATOM 1032 N GLU A 62 -7.522 -13.201 -1.993 1.00 4.03 N ATOM 1033 CA GLU A 62 -7.316 -13.680 -0.616 1.00 33.50 C ATOM 1034 C GLU A 62 -5.961 -13.212 -0.068 1.00 24.40 C ATOM 1035 O GLU A 62 -5.864 -12.770 1.076 1.00 14.14 O ATOM 1036 CB GLU A 62 -7.411 -15.215 -0.554 1.00 25.04 C ATOM 1037 CG GLU A 62 -8.829 -15.747 -0.387 1.00 63.34 C ATOM 1038 CD GLU A 62 -9.386 -15.469 1.001 1.00 64.43 C ATOM 1039 OE1 GLU A 62 -8.882 -16.072 1.975 1.00 75.32 O ATOM 1040 OE2 GLU A 62 -10.313 -14.647 1.128 1.00 63.42 O ATOM 0 H GLU A 62 -7.623 -13.943 -2.685 1.00 4.03 H new ATOM 0 HA GLU A 62 -8.104 -13.255 0.006 1.00 33.50 H new ATOM 0 HB2 GLU A 62 -6.984 -15.631 -1.466 1.00 25.04 H new ATOM 0 HB3 GLU A 62 -6.801 -15.572 0.276 1.00 25.04 H new ATOM 0 HG2 GLU A 62 -9.477 -15.291 -1.135 1.00 63.34 H new ATOM 0 HG3 GLU A 62 -8.837 -16.821 -0.571 1.00 63.34 H new ATOM 1047 N TRP A 63 -4.922 -13.315 -0.895 1.00 63.23 N ATOM 1048 CA TRP A 63 -3.589 -12.819 -0.535 1.00 2.24 C ATOM 1049 C TRP A 63 -3.625 -11.315 -0.204 1.00 52.14 C ATOM 1050 O TRP A 63 -3.039 -10.872 0.785 1.00 4.41 O ATOM 1051 CB TRP A 63 -2.596 -13.104 -1.677 1.00 33.12 C ATOM 1052 CG TRP A 63 -1.265 -12.414 -1.528 1.00 21.33 C ATOM 1053 CD1 TRP A 63 -0.666 -11.593 -2.442 1.00 2.03 C ATOM 1054 CD2 TRP A 63 -0.372 -12.479 -0.406 1.00 71.14 C ATOM 1055 NE1 TRP A 63 0.535 -11.140 -1.957 1.00 4.33 N ATOM 1056 CE2 TRP A 63 0.739 -11.669 -0.711 1.00 41.34 C ATOM 1057 CE3 TRP A 63 -0.406 -13.138 0.828 1.00 33.32 C ATOM 1058 CZ2 TRP A 63 1.804 -11.502 0.169 1.00 60.51 C ATOM 1059 CZ3 TRP A 63 0.653 -12.972 1.702 1.00 74.12 C ATOM 1060 CH2 TRP A 63 1.744 -12.158 1.368 1.00 44.42 C ATOM 0 H TRP A 63 -4.975 -13.738 -1.822 1.00 63.23 H new ATOM 0 HA TRP A 63 -3.256 -13.344 0.360 1.00 2.24 H new ATOM 0 HB2 TRP A 63 -2.430 -14.179 -1.738 1.00 33.12 H new ATOM 0 HB3 TRP A 63 -3.048 -12.797 -2.620 1.00 33.12 H new ATOM 0 HD1 TRP A 63 -1.079 -11.338 -3.407 1.00 2.03 H new ATOM 0 HE1 TRP A 63 1.172 -10.511 -2.446 1.00 4.33 H new ATOM 0 HE3 TRP A 63 -1.244 -13.765 1.093 1.00 33.32 H new ATOM 0 HZ2 TRP A 63 2.647 -10.877 -0.085 1.00 60.51 H new ATOM 0 HZ3 TRP A 63 0.639 -13.477 2.656 1.00 74.12 H new ATOM 0 HH2 TRP A 63 2.555 -12.046 2.072 1.00 44.42 H new ATOM 1071 N ALA A 64 -4.333 -10.544 -1.027 1.00 11.30 N ATOM 1072 CA ALA A 64 -4.497 -9.105 -0.792 1.00 30.12 C ATOM 1073 C ALA A 64 -5.219 -8.831 0.535 1.00 43.24 C ATOM 1074 O ALA A 64 -4.746 -8.054 1.370 1.00 30.41 O ATOM 1075 CB ALA A 64 -5.259 -8.469 -1.948 1.00 30.14 C ATOM 0 H ALA A 64 -4.804 -10.889 -1.864 1.00 11.30 H new ATOM 0 HA ALA A 64 -3.504 -8.660 -0.729 1.00 30.12 H new ATOM 0 HB1 ALA A 64 -5.375 -7.401 -1.763 1.00 30.14 H new ATOM 0 HB2 ALA A 64 -4.705 -8.619 -2.875 1.00 30.14 H new ATOM 0 HB3 ALA A 64 -6.242 -8.931 -2.034 1.00 30.14 H new ATOM 1081 N GLU A 65 -6.363 -9.483 0.728 1.00 72.11 N ATOM 1082 CA GLU A 65 -7.149 -9.327 1.955 1.00 71.01 C ATOM 1083 C GLU A 65 -6.428 -9.920 3.174 1.00 51.25 C ATOM 1084 O GLU A 65 -6.696 -9.527 4.308 1.00 34.10 O ATOM 1085 CB GLU A 65 -8.531 -9.975 1.795 1.00 60.32 C ATOM 1086 CG GLU A 65 -9.377 -9.349 0.689 1.00 0.14 C ATOM 1087 CD GLU A 65 -10.814 -9.843 0.697 1.00 15.24 C ATOM 1088 OE1 GLU A 65 -11.574 -9.439 1.603 1.00 55.25 O ATOM 1089 OE2 GLU A 65 -11.195 -10.624 -0.200 1.00 3.31 O ATOM 0 H GLU A 65 -6.770 -10.127 0.050 1.00 72.11 H new ATOM 0 HA GLU A 65 -7.272 -8.258 2.127 1.00 71.01 H new ATOM 0 HB2 GLU A 65 -8.403 -11.037 1.585 1.00 60.32 H new ATOM 0 HB3 GLU A 65 -9.070 -9.899 2.740 1.00 60.32 H new ATOM 0 HG2 GLU A 65 -9.370 -8.265 0.801 1.00 0.14 H new ATOM 0 HG3 GLU A 65 -8.926 -9.572 -0.278 1.00 0.14 H new ATOM 1096 N LYS A 66 -5.518 -10.864 2.937 1.00 3.42 N ATOM 1097 CA LYS A 66 -4.733 -11.474 4.017 1.00 64.34 C ATOM 1098 C LYS A 66 -3.871 -10.418 4.719 1.00 14.22 C ATOM 1099 O LYS A 66 -3.754 -10.406 5.946 1.00 34.41 O ATOM 1100 CB LYS A 66 -3.845 -12.598 3.464 1.00 22.02 C ATOM 1101 CG LYS A 66 -3.201 -13.470 4.542 1.00 31.15 C ATOM 1102 CD LYS A 66 -2.215 -14.479 3.952 1.00 51.53 C ATOM 1103 CE LYS A 66 -2.851 -15.341 2.864 1.00 62.42 C ATOM 1104 NZ LYS A 66 -4.028 -16.099 3.362 1.00 60.43 N ATOM 0 H LYS A 66 -5.304 -11.225 2.007 1.00 3.42 H new ATOM 0 HA LYS A 66 -5.424 -11.899 4.745 1.00 64.34 H new ATOM 0 HB2 LYS A 66 -4.444 -13.231 2.809 1.00 22.02 H new ATOM 0 HB3 LYS A 66 -3.059 -12.157 2.850 1.00 22.02 H new ATOM 0 HG2 LYS A 66 -2.683 -12.834 5.260 1.00 31.15 H new ATOM 0 HG3 LYS A 66 -3.979 -14.002 5.090 1.00 31.15 H new ATOM 0 HD2 LYS A 66 -1.359 -13.947 3.537 1.00 51.53 H new ATOM 0 HD3 LYS A 66 -1.837 -15.122 4.747 1.00 51.53 H new ATOM 0 HE2 LYS A 66 -3.156 -14.706 2.032 1.00 62.42 H new ATOM 0 HE3 LYS A 66 -2.109 -16.039 2.477 1.00 62.42 H new ATOM 0 HZ1 LYS A 66 -4.364 -16.745 2.620 1.00 60.43 H new ATOM 0 HZ2 LYS A 66 -3.757 -16.648 4.202 1.00 60.43 H new ATOM 0 HZ3 LYS A 66 -4.788 -15.435 3.613 1.00 60.43 H new ATOM 1118 N ALA A 67 -3.277 -9.527 3.926 1.00 30.35 N ATOM 1119 CA ALA A 67 -2.511 -8.407 4.465 1.00 22.23 C ATOM 1120 C ALA A 67 -3.387 -7.527 5.365 1.00 62.20 C ATOM 1121 O ALA A 67 -3.063 -7.301 6.530 1.00 52.34 O ATOM 1122 CB ALA A 67 -1.915 -7.586 3.327 1.00 50.53 C ATOM 0 H ALA A 67 -3.312 -9.560 2.907 1.00 30.35 H new ATOM 0 HA ALA A 67 -1.699 -8.805 5.074 1.00 22.23 H new ATOM 0 HB1 ALA A 67 -1.345 -6.753 3.739 1.00 50.53 H new ATOM 0 HB2 ALA A 67 -1.256 -8.216 2.730 1.00 50.53 H new ATOM 0 HB3 ALA A 67 -2.717 -7.201 2.697 1.00 50.53 H new ATOM 1128 N ILE A 68 -4.513 -7.061 4.821 1.00 64.21 N ATOM 1129 CA ILE A 68 -5.463 -6.233 5.579 1.00 11.52 C ATOM 1130 C ILE A 68 -5.974 -6.969 6.833 1.00 21.10 C ATOM 1131 O ILE A 68 -6.176 -6.367 7.889 1.00 5.10 O ATOM 1132 CB ILE A 68 -6.675 -5.827 4.696 1.00 54.41 C ATOM 1133 CG1 ILE A 68 -6.196 -5.156 3.393 1.00 11.03 C ATOM 1134 CG2 ILE A 68 -7.619 -4.900 5.463 1.00 51.14 C ATOM 1135 CD1 ILE A 68 -5.390 -3.887 3.607 1.00 43.21 C ATOM 0 H ILE A 68 -4.793 -7.241 3.857 1.00 64.21 H new ATOM 0 HA ILE A 68 -4.927 -5.336 5.890 1.00 11.52 H new ATOM 0 HB ILE A 68 -7.224 -6.732 4.435 1.00 54.41 H new ATOM 0 HG12 ILE A 68 -5.590 -5.868 2.832 1.00 11.03 H new ATOM 0 HG13 ILE A 68 -7.064 -4.922 2.777 1.00 11.03 H new ATOM 0 HG21 ILE A 68 -8.460 -4.629 4.825 1.00 51.14 H new ATOM 0 HG22 ILE A 68 -7.988 -5.411 6.352 1.00 51.14 H new ATOM 0 HG23 ILE A 68 -7.083 -3.998 5.759 1.00 51.14 H new ATOM 0 HD11 ILE A 68 -5.092 -3.478 2.642 1.00 43.21 H new ATOM 0 HD12 ILE A 68 -5.998 -3.155 4.139 1.00 43.21 H new ATOM 0 HD13 ILE A 68 -4.501 -4.115 4.195 1.00 43.21 H new ATOM 1147 N ARG A 69 -6.171 -8.279 6.697 1.00 42.32 N ATOM 1148 CA ARG A 69 -6.616 -9.138 7.805 1.00 71.14 C ATOM 1149 C ARG A 69 -5.618 -9.090 8.973 1.00 22.14 C ATOM 1150 O ARG A 69 -5.999 -8.894 10.129 1.00 2.11 O ATOM 1151 CB ARG A 69 -6.771 -10.583 7.302 1.00 32.45 C ATOM 1152 CG ARG A 69 -7.421 -11.542 8.296 1.00 61.04 C ATOM 1153 CD ARG A 69 -7.415 -12.975 7.763 1.00 25.35 C ATOM 1154 NE ARG A 69 -8.214 -13.889 8.584 1.00 11.12 N ATOM 1155 CZ ARG A 69 -7.841 -15.098 8.917 1.00 31.21 C ATOM 1156 NH1 ARG A 69 -6.654 -15.529 8.631 1.00 70.24 N ATOM 1157 NH2 ARG A 69 -8.654 -15.868 9.562 1.00 34.34 N ATOM 0 H ARG A 69 -6.028 -8.779 5.819 1.00 42.32 H new ATOM 0 HA ARG A 69 -7.577 -8.772 8.167 1.00 71.14 H new ATOM 0 HB2 ARG A 69 -7.365 -10.573 6.388 1.00 32.45 H new ATOM 0 HB3 ARG A 69 -5.786 -10.968 7.038 1.00 32.45 H new ATOM 0 HG2 ARG A 69 -6.888 -11.502 9.246 1.00 61.04 H new ATOM 0 HG3 ARG A 69 -8.446 -11.228 8.492 1.00 61.04 H new ATOM 0 HD2 ARG A 69 -7.799 -12.980 6.743 1.00 25.35 H new ATOM 0 HD3 ARG A 69 -6.388 -13.337 7.719 1.00 25.35 H new ATOM 0 HE ARG A 69 -9.120 -13.561 8.918 1.00 11.12 H new ATOM 0 HH11 ARG A 69 -5.996 -14.924 8.140 1.00 70.24 H new ATOM 0 HH12 ARG A 69 -6.377 -16.474 8.897 1.00 70.24 H new ATOM 0 HH21 ARG A 69 -9.585 -15.533 9.811 1.00 34.34 H new ATOM 0 HH22 ARG A 69 -8.365 -16.811 9.822 1.00 34.34 H new ATOM 1171 N PHE A 70 -4.335 -9.263 8.656 1.00 32.32 N ATOM 1172 CA PHE A 70 -3.273 -9.218 9.664 1.00 54.11 C ATOM 1173 C PHE A 70 -3.120 -7.800 10.246 1.00 3.23 C ATOM 1174 O PHE A 70 -2.966 -7.627 11.457 1.00 30.14 O ATOM 1175 CB PHE A 70 -1.945 -9.691 9.057 1.00 11.45 C ATOM 1176 CG PHE A 70 -0.829 -9.836 10.068 1.00 54.04 C ATOM 1177 CD1 PHE A 70 -0.757 -10.957 10.887 1.00 53.14 C ATOM 1178 CD2 PHE A 70 0.148 -8.857 10.196 1.00 61.31 C ATOM 1179 CE1 PHE A 70 0.260 -11.093 11.811 1.00 52.11 C ATOM 1180 CE2 PHE A 70 1.166 -8.992 11.120 1.00 34.14 C ATOM 1181 CZ PHE A 70 1.223 -10.110 11.926 1.00 3.03 C ATOM 0 H PHE A 70 -4.004 -9.436 7.707 1.00 32.32 H new ATOM 0 HA PHE A 70 -3.549 -9.889 10.478 1.00 54.11 H new ATOM 0 HB2 PHE A 70 -2.103 -10.650 8.564 1.00 11.45 H new ATOM 0 HB3 PHE A 70 -1.636 -8.984 8.287 1.00 11.45 H new ATOM 0 HD1 PHE A 70 -1.505 -11.731 10.800 1.00 53.14 H new ATOM 0 HD2 PHE A 70 0.111 -7.980 9.566 1.00 61.31 H new ATOM 0 HE1 PHE A 70 0.302 -11.968 12.443 1.00 52.11 H new ATOM 0 HE2 PHE A 70 1.918 -8.222 11.211 1.00 34.14 H new ATOM 0 HZ PHE A 70 2.020 -10.216 12.647 1.00 3.03 H new ATOM 1191 N VAL A 71 -3.175 -6.787 9.379 1.00 42.32 N ATOM 1192 CA VAL A 71 -3.107 -5.386 9.821 1.00 53.20 C ATOM 1193 C VAL A 71 -4.260 -5.057 10.787 1.00 52.02 C ATOM 1194 O VAL A 71 -4.078 -4.330 11.768 1.00 13.32 O ATOM 1195 CB VAL A 71 -3.128 -4.403 8.618 1.00 41.23 C ATOM 1196 CG1 VAL A 71 -3.095 -2.949 9.091 1.00 64.24 C ATOM 1197 CG2 VAL A 71 -1.959 -4.684 7.675 1.00 73.34 C ATOM 0 H VAL A 71 -3.266 -6.906 8.370 1.00 42.32 H new ATOM 0 HA VAL A 71 -2.160 -5.261 10.345 1.00 53.20 H new ATOM 0 HB VAL A 71 -4.060 -4.559 8.075 1.00 41.23 H new ATOM 0 HG11 VAL A 71 -3.111 -2.285 8.227 1.00 64.24 H new ATOM 0 HG12 VAL A 71 -3.965 -2.750 9.717 1.00 64.24 H new ATOM 0 HG13 VAL A 71 -2.186 -2.774 9.667 1.00 64.24 H new ATOM 0 HG21 VAL A 71 -1.990 -3.986 6.839 1.00 73.34 H new ATOM 0 HG22 VAL A 71 -1.019 -4.563 8.214 1.00 73.34 H new ATOM 0 HG23 VAL A 71 -2.032 -5.704 7.299 1.00 73.34 H new ATOM 1207 N LYS A 72 -5.441 -5.612 10.515 1.00 44.33 N ATOM 1208 CA LYS A 72 -6.587 -5.488 11.426 1.00 21.05 C ATOM 1209 C LYS A 72 -6.227 -6.075 12.802 1.00 75.21 C ATOM 1210 O LYS A 72 -6.504 -5.473 13.843 1.00 62.54 O ATOM 1211 CB LYS A 72 -7.816 -6.204 10.820 1.00 74.21 C ATOM 1212 CG LYS A 72 -9.160 -5.886 11.496 1.00 12.14 C ATOM 1213 CD LYS A 72 -9.347 -6.601 12.838 1.00 51.02 C ATOM 1214 CE LYS A 72 -9.304 -8.122 12.695 1.00 32.10 C ATOM 1215 NZ LYS A 72 -9.571 -8.818 13.985 1.00 30.32 N ATOM 0 H LYS A 72 -5.633 -6.153 9.672 1.00 44.33 H new ATOM 0 HA LYS A 72 -6.835 -4.435 11.559 1.00 21.05 H new ATOM 0 HB2 LYS A 72 -7.887 -5.939 9.765 1.00 74.21 H new ATOM 0 HB3 LYS A 72 -7.649 -7.280 10.868 1.00 74.21 H new ATOM 0 HG2 LYS A 72 -9.235 -4.810 11.652 1.00 12.14 H new ATOM 0 HG3 LYS A 72 -9.972 -6.168 10.826 1.00 12.14 H new ATOM 0 HD2 LYS A 72 -8.568 -6.281 13.529 1.00 51.02 H new ATOM 0 HD3 LYS A 72 -10.301 -6.306 13.275 1.00 51.02 H new ATOM 0 HE2 LYS A 72 -10.041 -8.436 11.956 1.00 32.10 H new ATOM 0 HE3 LYS A 72 -8.326 -8.422 12.318 1.00 32.10 H new ATOM 0 HZ1 LYS A 72 -9.531 -9.847 13.839 1.00 30.32 H new ATOM 0 HZ2 LYS A 72 -8.854 -8.540 14.685 1.00 30.32 H new ATOM 0 HZ3 LYS A 72 -10.515 -8.554 14.333 1.00 30.32 H new ATOM 1229 N SER A 73 -5.587 -7.247 12.787 1.00 53.24 N ATOM 1230 CA SER A 73 -5.148 -7.923 14.020 1.00 61.43 C ATOM 1231 C SER A 73 -4.169 -7.057 14.829 1.00 44.43 C ATOM 1232 O SER A 73 -4.071 -7.190 16.052 1.00 74.35 O ATOM 1233 CB SER A 73 -4.488 -9.269 13.686 1.00 41.10 C ATOM 1234 OG SER A 73 -3.991 -9.920 14.850 1.00 24.41 O ATOM 0 H SER A 73 -5.358 -7.753 11.932 1.00 53.24 H new ATOM 0 HA SER A 73 -6.036 -8.091 14.630 1.00 61.43 H new ATOM 0 HB2 SER A 73 -5.212 -9.915 13.190 1.00 41.10 H new ATOM 0 HB3 SER A 73 -3.671 -9.108 12.983 1.00 41.10 H new ATOM 0 HG SER A 73 -3.580 -10.773 14.597 1.00 24.41 H new ATOM 1240 N LEU A 74 -3.432 -6.181 14.144 1.00 62.32 N ATOM 1241 CA LEU A 74 -2.526 -5.241 14.818 1.00 1.43 C ATOM 1242 C LEU A 74 -3.312 -4.246 15.684 1.00 2.04 C ATOM 1243 O LEU A 74 -2.908 -3.926 16.803 1.00 11.11 O ATOM 1244 CB LEU A 74 -1.683 -4.470 13.793 1.00 11.42 C ATOM 1245 CG LEU A 74 -0.816 -5.335 12.870 1.00 1.32 C ATOM 1246 CD1 LEU A 74 -0.103 -4.461 11.843 1.00 60.12 C ATOM 1247 CD2 LEU A 74 0.192 -6.157 13.677 1.00 32.15 C ATOM 0 H LEU A 74 -3.442 -6.100 13.127 1.00 62.32 H new ATOM 0 HA LEU A 74 -1.865 -5.824 15.460 1.00 1.43 H new ATOM 0 HB2 LEU A 74 -2.351 -3.869 13.177 1.00 11.42 H new ATOM 0 HB3 LEU A 74 -1.034 -3.777 14.329 1.00 11.42 H new ATOM 0 HG LEU A 74 -1.467 -6.031 12.341 1.00 1.32 H new ATOM 0 HD11 LEU A 74 0.509 -5.088 11.194 1.00 60.12 H new ATOM 0 HD12 LEU A 74 -0.841 -3.929 11.243 1.00 60.12 H new ATOM 0 HD13 LEU A 74 0.533 -3.741 12.357 1.00 60.12 H new ATOM 0 HD21 LEU A 74 0.794 -6.762 12.999 1.00 32.15 H new ATOM 0 HD22 LEU A 74 0.842 -5.486 14.239 1.00 32.15 H new ATOM 0 HD23 LEU A 74 -0.341 -6.810 14.368 1.00 32.15 H new ATOM 1259 N GLY A 75 -4.437 -3.769 15.155 1.00 71.13 N ATOM 1260 CA GLY A 75 -5.265 -2.802 15.869 1.00 4.22 C ATOM 1261 C GLY A 75 -4.715 -1.378 15.822 1.00 62.01 C ATOM 1262 O GLY A 75 -5.161 -0.505 16.569 1.00 3.41 O ATOM 0 H GLY A 75 -4.794 -4.036 14.238 1.00 71.13 H new ATOM 0 HA2 GLY A 75 -6.268 -2.810 15.443 1.00 4.22 H new ATOM 0 HA3 GLY A 75 -5.358 -3.113 16.910 1.00 4.22 H new ATOM 1266 N ALA A 76 -3.749 -1.140 14.937 1.00 13.33 N ATOM 1267 CA ALA A 76 -3.122 0.180 14.815 1.00 23.03 C ATOM 1268 C ALA A 76 -3.743 1.010 13.686 1.00 52.23 C ATOM 1269 O ALA A 76 -4.299 0.475 12.730 1.00 45.12 O ATOM 1270 CB ALA A 76 -1.621 0.039 14.594 1.00 35.20 C ATOM 0 H ALA A 76 -3.382 -1.841 14.293 1.00 13.33 H new ATOM 0 HA ALA A 76 -3.301 0.709 15.751 1.00 23.03 H new ATOM 0 HB1 ALA A 76 -1.172 1.028 14.506 1.00 35.20 H new ATOM 0 HB2 ALA A 76 -1.177 -0.487 15.439 1.00 35.20 H new ATOM 0 HB3 ALA A 76 -1.439 -0.525 13.679 1.00 35.20 H new ATOM 1276 N GLN A 77 -3.622 2.325 13.807 1.00 22.41 N ATOM 1277 CA GLN A 77 -4.186 3.260 12.828 1.00 33.13 C ATOM 1278 C GLN A 77 -3.139 3.676 11.777 1.00 0.24 C ATOM 1279 O GLN A 77 -2.226 4.456 12.064 1.00 55.11 O ATOM 1280 CB GLN A 77 -4.755 4.507 13.539 1.00 51.35 C ATOM 1281 CG GLN A 77 -3.844 5.102 14.620 1.00 23.33 C ATOM 1282 CD GLN A 77 -3.866 4.314 15.923 1.00 34.44 C ATOM 1283 OE1 GLN A 77 -4.865 3.694 16.269 1.00 52.02 O ATOM 1284 NE2 GLN A 77 -2.773 4.336 16.655 1.00 4.42 N ATOM 0 H GLN A 77 -3.134 2.777 14.580 1.00 22.41 H new ATOM 0 HA GLN A 77 -4.996 2.748 12.309 1.00 33.13 H new ATOM 0 HB2 GLN A 77 -4.957 5.274 12.791 1.00 51.35 H new ATOM 0 HB3 GLN A 77 -5.711 4.245 13.993 1.00 51.35 H new ATOM 0 HG2 GLN A 77 -2.822 5.141 14.244 1.00 23.33 H new ATOM 0 HG3 GLN A 77 -4.150 6.129 14.819 1.00 23.33 H new ATOM 0 HE21 GLN A 77 -1.958 4.862 16.339 1.00 4.42 H new ATOM 0 HE22 GLN A 77 -2.741 3.827 17.539 1.00 4.42 H new ATOM 1293 N VAL A 78 -3.270 3.141 10.563 1.00 62.22 N ATOM 1294 CA VAL A 78 -2.352 3.465 9.462 1.00 25.01 C ATOM 1295 C VAL A 78 -3.113 3.889 8.196 1.00 31.05 C ATOM 1296 O VAL A 78 -4.270 3.515 7.997 1.00 20.32 O ATOM 1297 CB VAL A 78 -1.418 2.270 9.122 1.00 0.04 C ATOM 1298 CG1 VAL A 78 -0.536 1.912 10.316 1.00 12.24 C ATOM 1299 CG2 VAL A 78 -2.222 1.055 8.659 1.00 41.44 C ATOM 0 H VAL A 78 -4.004 2.479 10.313 1.00 62.22 H new ATOM 0 HA VAL A 78 -1.744 4.301 9.806 1.00 25.01 H new ATOM 0 HB VAL A 78 -0.771 2.577 8.300 1.00 0.04 H new ATOM 0 HG11 VAL A 78 0.109 1.073 10.054 1.00 12.24 H new ATOM 0 HG12 VAL A 78 0.078 2.771 10.585 1.00 12.24 H new ATOM 0 HG13 VAL A 78 -1.164 1.636 11.163 1.00 12.24 H new ATOM 0 HG21 VAL A 78 -1.542 0.235 8.428 1.00 41.44 H new ATOM 0 HG22 VAL A 78 -2.905 0.748 9.451 1.00 41.44 H new ATOM 0 HG23 VAL A 78 -2.793 1.315 7.767 1.00 41.44 H new ATOM 1309 N LEU A 79 -2.454 4.677 7.350 1.00 32.45 N ATOM 1310 CA LEU A 79 -3.038 5.130 6.080 1.00 63.51 C ATOM 1311 C LEU A 79 -2.649 4.173 4.939 1.00 64.42 C ATOM 1312 O LEU A 79 -1.501 3.751 4.847 1.00 70.44 O ATOM 1313 CB LEU A 79 -2.561 6.559 5.773 1.00 60.31 C ATOM 1314 CG LEU A 79 -3.090 7.181 4.468 1.00 34.41 C ATOM 1315 CD1 LEU A 79 -4.615 7.245 4.469 1.00 53.14 C ATOM 1316 CD2 LEU A 79 -2.494 8.572 4.261 1.00 55.52 C ATOM 0 H LEU A 79 -1.508 5.020 7.519 1.00 32.45 H new ATOM 0 HA LEU A 79 -4.125 5.131 6.167 1.00 63.51 H new ATOM 0 HB2 LEU A 79 -2.851 7.204 6.603 1.00 60.31 H new ATOM 0 HB3 LEU A 79 -1.472 6.557 5.736 1.00 60.31 H new ATOM 0 HG LEU A 79 -2.782 6.543 3.639 1.00 34.41 H new ATOM 0 HD11 LEU A 79 -4.961 7.689 3.535 1.00 53.14 H new ATOM 0 HD12 LEU A 79 -5.021 6.238 4.565 1.00 53.14 H new ATOM 0 HD13 LEU A 79 -4.953 7.854 5.307 1.00 53.14 H new ATOM 0 HD21 LEU A 79 -2.878 8.998 3.334 1.00 55.52 H new ATOM 0 HD22 LEU A 79 -2.770 9.214 5.097 1.00 55.52 H new ATOM 0 HD23 LEU A 79 -1.408 8.498 4.204 1.00 55.52 H new ATOM 1328 N ILE A 80 -3.600 3.831 4.076 1.00 4.34 N ATOM 1329 CA ILE A 80 -3.357 2.836 3.021 1.00 64.12 C ATOM 1330 C ILE A 80 -3.630 3.396 1.613 1.00 13.10 C ATOM 1331 O ILE A 80 -4.589 4.134 1.393 1.00 72.34 O ATOM 1332 CB ILE A 80 -4.231 1.569 3.250 1.00 62.12 C ATOM 1333 CG1 ILE A 80 -3.942 0.960 4.638 1.00 22.15 C ATOM 1334 CG2 ILE A 80 -3.997 0.531 2.148 1.00 65.03 C ATOM 1335 CD1 ILE A 80 -4.779 -0.262 4.965 1.00 72.53 C ATOM 0 H ILE A 80 -4.542 4.221 4.080 1.00 4.34 H new ATOM 0 HA ILE A 80 -2.301 2.572 3.079 1.00 64.12 H new ATOM 0 HB ILE A 80 -5.278 1.869 3.212 1.00 62.12 H new ATOM 0 HG12 ILE A 80 -2.887 0.690 4.692 1.00 22.15 H new ATOM 0 HG13 ILE A 80 -4.115 1.720 5.400 1.00 22.15 H new ATOM 0 HG21 ILE A 80 -4.621 -0.344 2.334 1.00 65.03 H new ATOM 0 HG22 ILE A 80 -4.256 0.962 1.181 1.00 65.03 H new ATOM 0 HG23 ILE A 80 -2.948 0.235 2.144 1.00 65.03 H new ATOM 0 HD11 ILE A 80 -4.515 -0.629 5.957 1.00 72.53 H new ATOM 0 HD12 ILE A 80 -5.836 0.005 4.946 1.00 72.53 H new ATOM 0 HD13 ILE A 80 -4.589 -1.041 4.227 1.00 72.53 H new ATOM 1347 N ILE A 81 -2.764 3.048 0.664 1.00 1.34 N ATOM 1348 CA ILE A 81 -2.974 3.374 -0.753 1.00 52.30 C ATOM 1349 C ILE A 81 -3.062 2.088 -1.582 1.00 53.50 C ATOM 1350 O ILE A 81 -2.176 1.239 -1.513 1.00 14.15 O ATOM 1351 CB ILE A 81 -1.831 4.255 -1.322 1.00 32.34 C ATOM 1352 CG1 ILE A 81 -1.689 5.561 -0.522 1.00 71.53 C ATOM 1353 CG2 ILE A 81 -2.070 4.556 -2.803 1.00 60.12 C ATOM 1354 CD1 ILE A 81 -0.599 6.480 -1.047 1.00 73.52 C ATOM 0 H ILE A 81 -1.902 2.536 0.849 1.00 1.34 H new ATOM 0 HA ILE A 81 -3.907 3.934 -0.817 1.00 52.30 H new ATOM 0 HB ILE A 81 -0.899 3.698 -1.228 1.00 32.34 H new ATOM 0 HG12 ILE A 81 -2.640 6.093 -0.539 1.00 71.53 H new ATOM 0 HG13 ILE A 81 -1.478 5.318 0.519 1.00 71.53 H new ATOM 0 HG21 ILE A 81 -1.258 5.175 -3.184 1.00 60.12 H new ATOM 0 HG22 ILE A 81 -2.107 3.621 -3.363 1.00 60.12 H new ATOM 0 HG23 ILE A 81 -3.015 5.086 -2.919 1.00 60.12 H new ATOM 0 HD11 ILE A 81 -0.556 7.381 -0.435 1.00 73.52 H new ATOM 0 HD12 ILE A 81 0.362 5.966 -1.005 1.00 73.52 H new ATOM 0 HD13 ILE A 81 -0.819 6.753 -2.079 1.00 73.52 H new ATOM 1366 N ILE A 82 -4.127 1.938 -2.361 1.00 13.20 N ATOM 1367 CA ILE A 82 -4.322 0.725 -3.166 1.00 51.34 C ATOM 1368 C ILE A 82 -4.301 1.037 -4.672 1.00 60.25 C ATOM 1369 O ILE A 82 -4.919 2.005 -5.130 1.00 22.45 O ATOM 1370 CB ILE A 82 -5.651 0.017 -2.799 1.00 14.34 C ATOM 1371 CG1 ILE A 82 -5.734 -0.212 -1.279 1.00 61.22 C ATOM 1372 CG2 ILE A 82 -5.775 -1.312 -3.547 1.00 71.34 C ATOM 1373 CD1 ILE A 82 -7.043 -0.819 -0.821 1.00 43.11 C ATOM 0 H ILE A 82 -4.868 2.633 -2.456 1.00 13.20 H new ATOM 0 HA ILE A 82 -3.491 0.057 -2.939 1.00 51.34 H new ATOM 0 HB ILE A 82 -6.479 0.659 -3.099 1.00 14.34 H new ATOM 0 HG12 ILE A 82 -4.916 -0.865 -0.975 1.00 61.22 H new ATOM 0 HG13 ILE A 82 -5.588 0.740 -0.769 1.00 61.22 H new ATOM 0 HG21 ILE A 82 -6.714 -1.795 -3.277 1.00 71.34 H new ATOM 0 HG22 ILE A 82 -5.757 -1.128 -4.621 1.00 71.34 H new ATOM 0 HG23 ILE A 82 -4.942 -1.961 -3.276 1.00 71.34 H new ATOM 0 HD11 ILE A 82 -7.025 -0.950 0.261 1.00 43.11 H new ATOM 0 HD12 ILE A 82 -7.866 -0.158 -1.093 1.00 43.11 H new ATOM 0 HD13 ILE A 82 -7.183 -1.788 -1.301 1.00 43.11 H new ATOM 1385 N TYR A 83 -3.586 0.212 -5.436 1.00 71.10 N ATOM 1386 CA TYR A 83 -3.460 0.395 -6.887 1.00 71.52 C ATOM 1387 C TYR A 83 -4.015 -0.802 -7.675 1.00 4.41 C ATOM 1388 O TYR A 83 -3.617 -1.949 -7.450 1.00 20.45 O ATOM 1389 CB TYR A 83 -1.985 0.618 -7.269 1.00 35.23 C ATOM 1390 CG TYR A 83 -1.740 0.659 -8.773 1.00 11.21 C ATOM 1391 CD1 TYR A 83 -2.086 1.778 -9.526 1.00 31.13 C ATOM 1392 CD2 TYR A 83 -1.171 -0.425 -9.439 1.00 64.34 C ATOM 1393 CE1 TYR A 83 -1.876 1.813 -10.892 1.00 1.11 C ATOM 1394 CE2 TYR A 83 -0.962 -0.394 -10.806 1.00 44.21 C ATOM 1395 CZ TYR A 83 -1.313 0.729 -11.528 1.00 23.24 C ATOM 1396 OH TYR A 83 -1.109 0.761 -12.889 1.00 32.22 O ATOM 0 H TYR A 83 -3.081 -0.596 -5.073 1.00 71.10 H new ATOM 0 HA TYR A 83 -4.051 1.272 -7.150 1.00 71.52 H new ATOM 0 HB2 TYR A 83 -1.643 1.554 -6.829 1.00 35.23 H new ATOM 0 HB3 TYR A 83 -1.382 -0.179 -6.833 1.00 35.23 H new ATOM 0 HD1 TYR A 83 -2.526 2.633 -9.035 1.00 31.13 H new ATOM 0 HD2 TYR A 83 -0.889 -1.304 -8.878 1.00 64.34 H new ATOM 0 HE1 TYR A 83 -2.153 2.689 -11.459 1.00 1.11 H new ATOM 0 HE2 TYR A 83 -0.526 -1.246 -11.307 1.00 44.21 H new ATOM 0 HH TYR A 83 -1.540 -0.016 -13.303 1.00 32.22 H new ATOM 1406 N ASP A 84 -4.916 -0.515 -8.610 1.00 4.41 N ATOM 1407 CA ASP A 84 -5.430 -1.521 -9.544 1.00 15.22 C ATOM 1408 C ASP A 84 -5.862 -0.857 -10.860 1.00 11.54 C ATOM 1409 O ASP A 84 -6.147 0.340 -10.902 1.00 43.31 O ATOM 1410 CB ASP A 84 -6.597 -2.303 -8.923 1.00 63.04 C ATOM 1411 CG ASP A 84 -7.053 -3.450 -9.815 1.00 34.00 C ATOM 1412 OD1 ASP A 84 -6.400 -4.517 -9.800 1.00 61.24 O ATOM 1413 OD2 ASP A 84 -8.037 -3.280 -10.562 1.00 5.11 O ATOM 0 H ASP A 84 -5.311 0.416 -8.744 1.00 4.41 H new ATOM 0 HA ASP A 84 -4.629 -2.228 -9.758 1.00 15.22 H new ATOM 0 HB2 ASP A 84 -6.294 -2.696 -7.953 1.00 63.04 H new ATOM 0 HB3 ASP A 84 -7.433 -1.627 -8.746 1.00 63.04 H new ATOM 1418 N GLN A 85 -5.894 -1.647 -11.926 1.00 72.23 N ATOM 1419 CA GLN A 85 -6.205 -1.151 -13.268 1.00 60.24 C ATOM 1420 C GLN A 85 -7.675 -0.707 -13.410 1.00 23.40 C ATOM 1421 O GLN A 85 -7.967 0.324 -14.021 1.00 70.43 O ATOM 1422 CB GLN A 85 -5.893 -2.247 -14.291 1.00 32.23 C ATOM 1423 CG GLN A 85 -4.431 -2.684 -14.307 1.00 74.33 C ATOM 1424 CD GLN A 85 -3.461 -1.559 -14.650 1.00 62.52 C ATOM 1425 OE1 GLN A 85 -2.323 -1.544 -14.183 1.00 23.15 O ATOM 1426 NE2 GLN A 85 -3.883 -0.622 -15.481 1.00 32.41 N ATOM 0 H GLN A 85 -5.706 -2.649 -11.889 1.00 72.23 H new ATOM 0 HA GLN A 85 -5.588 -0.271 -13.448 1.00 60.24 H new ATOM 0 HB2 GLN A 85 -6.518 -3.115 -14.081 1.00 32.23 H new ATOM 0 HB3 GLN A 85 -6.166 -1.891 -15.284 1.00 32.23 H new ATOM 0 HG2 GLN A 85 -4.171 -3.091 -13.330 1.00 74.33 H new ATOM 0 HG3 GLN A 85 -4.309 -3.490 -15.030 1.00 74.33 H new ATOM 0 HE21 GLN A 85 -4.832 -0.660 -15.853 1.00 32.41 H new ATOM 0 HE22 GLN A 85 -3.260 0.139 -15.751 1.00 32.41 H new ATOM 1435 N ASP A 86 -8.595 -1.490 -12.853 1.00 45.31 N ATOM 1436 CA ASP A 86 -10.031 -1.215 -12.987 1.00 13.32 C ATOM 1437 C ASP A 86 -10.554 -0.362 -11.821 1.00 75.22 C ATOM 1438 O ASP A 86 -10.396 -0.721 -10.656 1.00 12.24 O ATOM 1439 CB ASP A 86 -10.813 -2.529 -13.069 1.00 12.44 C ATOM 1440 CG ASP A 86 -10.433 -3.348 -14.288 1.00 1.20 C ATOM 1441 OD1 ASP A 86 -10.938 -3.047 -15.390 1.00 65.03 O ATOM 1442 OD2 ASP A 86 -9.625 -4.294 -14.154 1.00 63.42 O ATOM 0 H ASP A 86 -8.376 -2.321 -12.304 1.00 45.31 H new ATOM 0 HA ASP A 86 -10.178 -0.649 -13.907 1.00 13.32 H new ATOM 0 HB2 ASP A 86 -10.630 -3.115 -12.168 1.00 12.44 H new ATOM 0 HB3 ASP A 86 -11.881 -2.313 -13.097 1.00 12.44 H new ATOM 1447 N GLN A 87 -11.203 0.756 -12.144 1.00 14.43 N ATOM 1448 CA GLN A 87 -11.693 1.690 -11.122 1.00 3.41 C ATOM 1449 C GLN A 87 -12.768 1.056 -10.226 1.00 70.32 C ATOM 1450 O GLN A 87 -12.750 1.238 -9.011 1.00 72.44 O ATOM 1451 CB GLN A 87 -12.240 2.965 -11.777 1.00 23.23 C ATOM 1452 CG GLN A 87 -11.191 3.742 -12.566 1.00 32.15 C ATOM 1453 CD GLN A 87 -11.720 5.054 -13.116 1.00 13.52 C ATOM 1454 OE1 GLN A 87 -11.630 6.094 -12.472 1.00 11.22 O ATOM 1455 NE2 GLN A 87 -12.256 5.022 -14.315 1.00 3.35 N ATOM 0 H GLN A 87 -11.403 1.040 -13.103 1.00 14.43 H new ATOM 0 HA GLN A 87 -10.844 1.946 -10.488 1.00 3.41 H new ATOM 0 HB2 GLN A 87 -13.060 2.698 -12.443 1.00 23.23 H new ATOM 0 HB3 GLN A 87 -12.655 3.612 -11.004 1.00 23.23 H new ATOM 0 HG2 GLN A 87 -10.334 3.942 -11.923 1.00 32.15 H new ATOM 0 HG3 GLN A 87 -10.833 3.126 -13.391 1.00 32.15 H new ATOM 0 HE21 GLN A 87 -12.315 4.140 -14.824 1.00 3.35 H new ATOM 0 HE22 GLN A 87 -12.613 5.879 -14.737 1.00 3.35 H new ATOM 1464 N ASN A 88 -13.699 0.312 -10.822 1.00 64.53 N ATOM 1465 CA ASN A 88 -14.764 -0.347 -10.052 1.00 52.34 C ATOM 1466 C ASN A 88 -14.196 -1.476 -9.169 1.00 0.20 C ATOM 1467 O ASN A 88 -14.579 -1.628 -8.009 1.00 21.43 O ATOM 1468 CB ASN A 88 -15.837 -0.895 -10.998 1.00 73.40 C ATOM 1469 CG ASN A 88 -17.065 -1.396 -10.255 1.00 33.44 C ATOM 1470 OD1 ASN A 88 -17.434 -0.869 -9.207 1.00 35.32 O ATOM 1471 ND2 ASN A 88 -17.707 -2.416 -10.786 1.00 32.41 N ATOM 0 H ASN A 88 -13.741 0.149 -11.828 1.00 64.53 H new ATOM 0 HA ASN A 88 -15.218 0.395 -9.395 1.00 52.34 H new ATOM 0 HB2 ASN A 88 -16.133 -0.114 -11.698 1.00 73.40 H new ATOM 0 HB3 ASN A 88 -15.416 -1.709 -11.588 1.00 73.40 H new ATOM 0 HD21 ASN A 88 -18.537 -2.792 -10.327 1.00 32.41 H new ATOM 0 HD22 ASN A 88 -17.375 -2.830 -11.657 1.00 32.41 H new ATOM 1478 N ARG A 89 -13.279 -2.262 -9.734 1.00 62.24 N ATOM 1479 CA ARG A 89 -12.564 -3.307 -8.983 1.00 74.50 C ATOM 1480 C ARG A 89 -11.798 -2.696 -7.797 1.00 53.20 C ATOM 1481 O ARG A 89 -11.849 -3.202 -6.674 1.00 72.21 O ATOM 1482 CB ARG A 89 -11.585 -4.035 -9.920 1.00 4.42 C ATOM 1483 CG ARG A 89 -10.681 -5.065 -9.240 1.00 64.43 C ATOM 1484 CD ARG A 89 -11.455 -6.276 -8.727 1.00 43.01 C ATOM 1485 NE ARG A 89 -10.558 -7.325 -8.241 1.00 34.54 N ATOM 1486 CZ ARG A 89 -10.927 -8.556 -7.997 1.00 52.14 C ATOM 1487 NH1 ARG A 89 -12.155 -8.925 -8.173 1.00 14.24 N ATOM 1488 NH2 ARG A 89 -10.064 -9.424 -7.576 1.00 44.13 N ATOM 0 H ARG A 89 -13.009 -2.198 -10.716 1.00 62.24 H new ATOM 0 HA ARG A 89 -13.292 -4.018 -8.592 1.00 74.50 H new ATOM 0 HB2 ARG A 89 -12.158 -4.536 -10.700 1.00 4.42 H new ATOM 0 HB3 ARG A 89 -10.957 -3.292 -10.412 1.00 4.42 H new ATOM 0 HG2 ARG A 89 -9.920 -5.397 -9.946 1.00 64.43 H new ATOM 0 HG3 ARG A 89 -10.160 -4.592 -8.408 1.00 64.43 H new ATOM 0 HD2 ARG A 89 -12.123 -5.967 -7.923 1.00 43.01 H new ATOM 0 HD3 ARG A 89 -12.081 -6.673 -9.526 1.00 43.01 H new ATOM 0 HE ARG A 89 -9.581 -7.080 -8.082 1.00 34.54 H new ATOM 0 HH11 ARG A 89 -12.847 -8.253 -8.505 1.00 14.24 H new ATOM 0 HH12 ARG A 89 -12.431 -9.888 -7.979 1.00 14.24 H new ATOM 0 HH21 ARG A 89 -9.092 -9.149 -7.433 1.00 44.13 H new ATOM 0 HH22 ARG A 89 -10.356 -10.383 -7.387 1.00 44.13 H new ATOM 1502 N LEU A 90 -11.092 -1.603 -8.071 1.00 42.33 N ATOM 1503 CA LEU A 90 -10.335 -0.874 -7.051 1.00 73.24 C ATOM 1504 C LEU A 90 -11.265 -0.314 -5.959 1.00 14.05 C ATOM 1505 O LEU A 90 -10.999 -0.465 -4.763 1.00 32.23 O ATOM 1506 CB LEU A 90 -9.542 0.258 -7.717 1.00 43.21 C ATOM 1507 CG LEU A 90 -8.594 1.038 -6.796 1.00 63.32 C ATOM 1508 CD1 LEU A 90 -7.589 0.097 -6.139 1.00 63.13 C ATOM 1509 CD2 LEU A 90 -7.873 2.134 -7.575 1.00 30.34 C ATOM 0 H LEU A 90 -11.027 -1.196 -9.004 1.00 42.33 H new ATOM 0 HA LEU A 90 -9.644 -1.565 -6.569 1.00 73.24 H new ATOM 0 HB2 LEU A 90 -8.958 -0.165 -8.535 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -10.249 0.960 -8.159 1.00 43.21 H new ATOM 0 HG LEU A 90 -9.187 1.508 -6.011 1.00 63.32 H new ATOM 0 HD11 LEU A 90 -6.926 0.669 -5.490 1.00 63.13 H new ATOM 0 HD12 LEU A 90 -8.121 -0.648 -5.548 1.00 63.13 H new ATOM 0 HD13 LEU A 90 -7.001 -0.403 -6.909 1.00 63.13 H new ATOM 0 HD21 LEU A 90 -7.205 2.677 -6.906 1.00 30.34 H new ATOM 0 HD22 LEU A 90 -7.293 1.686 -8.382 1.00 30.34 H new ATOM 0 HD23 LEU A 90 -8.605 2.824 -7.995 1.00 30.34 H new ATOM 1521 N GLU A 91 -12.359 0.326 -6.382 1.00 63.50 N ATOM 1522 CA GLU A 91 -13.382 0.832 -5.455 1.00 4.32 C ATOM 1523 C GLU A 91 -13.933 -0.283 -4.556 1.00 32.34 C ATOM 1524 O GLU A 91 -14.045 -0.108 -3.345 1.00 75.44 O ATOM 1525 CB GLU A 91 -14.535 1.493 -6.232 1.00 52.12 C ATOM 1526 CG GLU A 91 -14.246 2.922 -6.685 1.00 5.23 C ATOM 1527 CD GLU A 91 -14.164 3.892 -5.513 1.00 63.54 C ATOM 1528 OE1 GLU A 91 -15.218 4.192 -4.916 1.00 13.24 O ATOM 1529 OE2 GLU A 91 -13.055 4.355 -5.183 1.00 71.21 O ATOM 0 H GLU A 91 -12.562 0.508 -7.365 1.00 63.50 H new ATOM 0 HA GLU A 91 -12.904 1.576 -4.818 1.00 4.32 H new ATOM 0 HB2 GLU A 91 -14.763 0.885 -7.108 1.00 52.12 H new ATOM 0 HB3 GLU A 91 -15.426 1.496 -5.605 1.00 52.12 H new ATOM 0 HG2 GLU A 91 -13.307 2.943 -7.238 1.00 5.23 H new ATOM 0 HG3 GLU A 91 -15.027 3.249 -7.371 1.00 5.23 H new ATOM 1536 N GLU A 92 -14.267 -1.424 -5.158 1.00 72.11 N ATOM 1537 CA GLU A 92 -14.779 -2.583 -4.413 1.00 51.45 C ATOM 1538 C GLU A 92 -13.883 -2.920 -3.207 1.00 50.11 C ATOM 1539 O GLU A 92 -14.343 -2.955 -2.067 1.00 20.40 O ATOM 1540 CB GLU A 92 -14.882 -3.802 -5.347 1.00 12.35 C ATOM 1541 CG GLU A 92 -15.383 -5.079 -4.672 1.00 72.32 C ATOM 1542 CD GLU A 92 -16.840 -4.995 -4.234 1.00 74.33 C ATOM 1543 OE1 GLU A 92 -17.731 -5.239 -5.078 1.00 45.53 O ATOM 1544 OE2 GLU A 92 -17.100 -4.709 -3.047 1.00 20.53 O ATOM 0 H GLU A 92 -14.193 -1.575 -6.164 1.00 72.11 H new ATOM 0 HA GLU A 92 -15.769 -2.328 -4.034 1.00 51.45 H new ATOM 0 HB2 GLU A 92 -15.551 -3.556 -6.172 1.00 12.35 H new ATOM 0 HB3 GLU A 92 -13.900 -3.996 -5.779 1.00 12.35 H new ATOM 0 HG2 GLU A 92 -15.265 -5.916 -5.360 1.00 72.32 H new ATOM 0 HG3 GLU A 92 -14.761 -5.291 -3.803 1.00 72.32 H new ATOM 1551 N PHE A 93 -12.595 -3.141 -3.470 1.00 64.40 N ATOM 1552 CA PHE A 93 -11.639 -3.491 -2.411 1.00 11.23 C ATOM 1553 C PHE A 93 -11.382 -2.298 -1.464 1.00 64.23 C ATOM 1554 O PHE A 93 -11.236 -2.476 -0.253 1.00 70.44 O ATOM 1555 CB PHE A 93 -10.322 -3.982 -3.039 1.00 14.11 C ATOM 1556 CG PHE A 93 -9.313 -4.502 -2.040 1.00 43.14 C ATOM 1557 CD1 PHE A 93 -9.639 -5.537 -1.174 1.00 44.40 C ATOM 1558 CD2 PHE A 93 -8.037 -3.961 -1.975 1.00 74.24 C ATOM 1559 CE1 PHE A 93 -8.714 -6.017 -0.265 1.00 70.43 C ATOM 1560 CE2 PHE A 93 -7.110 -4.438 -1.065 1.00 32.33 C ATOM 1561 CZ PHE A 93 -7.449 -5.467 -0.211 1.00 42.03 C ATOM 0 H PHE A 93 -12.187 -3.085 -4.403 1.00 64.40 H new ATOM 0 HA PHE A 93 -12.070 -4.294 -1.812 1.00 11.23 H new ATOM 0 HB2 PHE A 93 -10.547 -4.772 -3.756 1.00 14.11 H new ATOM 0 HB3 PHE A 93 -9.872 -3.162 -3.599 1.00 14.11 H new ATOM 0 HD1 PHE A 93 -10.627 -5.972 -1.211 1.00 44.40 H new ATOM 0 HD2 PHE A 93 -7.764 -3.158 -2.643 1.00 74.24 H new ATOM 0 HE1 PHE A 93 -8.981 -6.822 0.403 1.00 70.43 H new ATOM 0 HE2 PHE A 93 -6.122 -4.005 -1.023 1.00 32.33 H new ATOM 0 HZ PHE A 93 -6.726 -5.842 0.499 1.00 42.03 H new ATOM 1571 N SER A 94 -11.348 -1.086 -2.021 1.00 54.35 N ATOM 1572 CA SER A 94 -11.103 0.135 -1.231 1.00 45.20 C ATOM 1573 C SER A 94 -12.203 0.368 -0.183 1.00 14.32 C ATOM 1574 O SER A 94 -11.916 0.607 0.993 1.00 64.14 O ATOM 1575 CB SER A 94 -11.000 1.361 -2.152 1.00 30.23 C ATOM 1576 OG SER A 94 -10.749 2.553 -1.416 1.00 13.02 O ATOM 0 H SER A 94 -11.487 -0.918 -3.017 1.00 54.35 H new ATOM 0 HA SER A 94 -10.158 -0.006 -0.706 1.00 45.20 H new ATOM 0 HB2 SER A 94 -10.201 1.206 -2.877 1.00 30.23 H new ATOM 0 HB3 SER A 94 -11.926 1.470 -2.717 1.00 30.23 H new ATOM 0 HG SER A 94 -11.143 3.317 -1.886 1.00 13.02 H new ATOM 1582 N ARG A 95 -13.463 0.283 -0.613 1.00 64.35 N ATOM 1583 CA ARG A 95 -14.607 0.499 0.285 1.00 33.12 C ATOM 1584 C ARG A 95 -14.619 -0.526 1.426 1.00 55.20 C ATOM 1585 O ARG A 95 -14.926 -0.188 2.571 1.00 5.34 O ATOM 1586 CB ARG A 95 -15.927 0.438 -0.501 1.00 31.21 C ATOM 1587 CG ARG A 95 -16.022 1.470 -1.620 1.00 20.40 C ATOM 1588 CD ARG A 95 -15.905 2.898 -1.095 1.00 43.43 C ATOM 1589 NE ARG A 95 -15.909 3.877 -2.178 1.00 73.42 N ATOM 1590 CZ ARG A 95 -16.276 5.121 -2.046 1.00 54.22 C ATOM 1591 NH1 ARG A 95 -16.624 5.593 -0.893 1.00 74.15 N ATOM 1592 NH2 ARG A 95 -16.262 5.901 -3.074 1.00 71.44 N ATOM 0 H ARG A 95 -13.721 0.067 -1.576 1.00 64.35 H new ATOM 0 HA ARG A 95 -14.505 1.491 0.724 1.00 33.12 H new ATOM 0 HB2 ARG A 95 -16.040 -0.559 -0.927 1.00 31.21 H new ATOM 0 HB3 ARG A 95 -16.758 0.586 0.189 1.00 31.21 H new ATOM 0 HG2 ARG A 95 -15.233 1.287 -2.350 1.00 20.40 H new ATOM 0 HG3 ARG A 95 -16.972 1.353 -2.141 1.00 20.40 H new ATOM 0 HD2 ARG A 95 -16.732 3.104 -0.416 1.00 43.43 H new ATOM 0 HD3 ARG A 95 -14.986 2.999 -0.518 1.00 43.43 H new ATOM 0 HE ARG A 95 -15.604 3.567 -3.101 1.00 73.42 H new ATOM 0 HH11 ARG A 95 -16.614 4.990 -0.071 1.00 74.15 H new ATOM 0 HH12 ARG A 95 -16.909 6.569 -0.806 1.00 74.15 H new ATOM 0 HH21 ARG A 95 -15.965 5.543 -3.982 1.00 71.44 H new ATOM 0 HH22 ARG A 95 -16.548 6.876 -2.979 1.00 71.44 H new ATOM 1606 N GLU A 96 -14.272 -1.773 1.111 1.00 11.03 N ATOM 1607 CA GLU A 96 -14.146 -2.813 2.132 1.00 62.51 C ATOM 1608 C GLU A 96 -13.098 -2.425 3.185 1.00 44.33 C ATOM 1609 O GLU A 96 -13.403 -2.365 4.378 1.00 30.23 O ATOM 1610 CB GLU A 96 -13.781 -4.162 1.492 1.00 21.42 C ATOM 1611 CG GLU A 96 -14.865 -4.731 0.581 1.00 13.11 C ATOM 1612 CD GLU A 96 -16.199 -4.896 1.292 1.00 65.45 C ATOM 1613 OE1 GLU A 96 -16.350 -5.864 2.073 1.00 13.24 O ATOM 1614 OE2 GLU A 96 -17.095 -4.055 1.093 1.00 13.22 O ATOM 0 H GLU A 96 -14.074 -2.087 0.161 1.00 11.03 H new ATOM 0 HA GLU A 96 -15.111 -2.913 2.628 1.00 62.51 H new ATOM 0 HB2 GLU A 96 -12.863 -4.043 0.916 1.00 21.42 H new ATOM 0 HB3 GLU A 96 -13.570 -4.882 2.283 1.00 21.42 H new ATOM 0 HG2 GLU A 96 -14.994 -4.073 -0.278 1.00 13.11 H new ATOM 0 HG3 GLU A 96 -14.540 -5.698 0.196 1.00 13.11 H new ATOM 1621 N VAL A 97 -11.871 -2.138 2.739 1.00 13.13 N ATOM 1622 CA VAL A 97 -10.790 -1.723 3.647 1.00 33.12 C ATOM 1623 C VAL A 97 -11.225 -0.546 4.539 1.00 60.12 C ATOM 1624 O VAL A 97 -10.995 -0.551 5.754 1.00 14.25 O ATOM 1625 CB VAL A 97 -9.511 -1.326 2.864 1.00 71.21 C ATOM 1626 CG1 VAL A 97 -8.413 -0.845 3.813 1.00 40.43 C ATOM 1627 CG2 VAL A 97 -9.015 -2.494 2.012 1.00 71.43 C ATOM 0 H VAL A 97 -11.599 -2.184 1.757 1.00 13.13 H new ATOM 0 HA VAL A 97 -10.566 -2.583 4.278 1.00 33.12 H new ATOM 0 HB VAL A 97 -9.766 -0.501 2.199 1.00 71.21 H new ATOM 0 HG11 VAL A 97 -7.528 -0.573 3.238 1.00 40.43 H new ATOM 0 HG12 VAL A 97 -8.766 0.024 4.367 1.00 40.43 H new ATOM 0 HG13 VAL A 97 -8.161 -1.643 4.512 1.00 40.43 H new ATOM 0 HG21 VAL A 97 -8.117 -2.194 1.471 1.00 71.43 H new ATOM 0 HG22 VAL A 97 -8.784 -3.342 2.656 1.00 71.43 H new ATOM 0 HG23 VAL A 97 -9.789 -2.780 1.300 1.00 71.43 H new ATOM 1637 N ARG A 98 -11.873 0.448 3.933 1.00 32.22 N ATOM 1638 CA ARG A 98 -12.401 1.597 4.676 1.00 71.43 C ATOM 1639 C ARG A 98 -13.388 1.146 5.766 1.00 13.33 C ATOM 1640 O ARG A 98 -13.278 1.545 6.927 1.00 64.31 O ATOM 1641 CB ARG A 98 -13.096 2.573 3.714 1.00 41.22 C ATOM 1642 CG ARG A 98 -13.648 3.830 4.387 1.00 60.11 C ATOM 1643 CD ARG A 98 -12.539 4.698 4.976 1.00 34.42 C ATOM 1644 NE ARG A 98 -13.068 5.880 5.662 1.00 13.42 N ATOM 1645 CZ ARG A 98 -12.922 7.108 5.239 1.00 71.22 C ATOM 1646 NH1 ARG A 98 -12.339 7.346 4.105 1.00 52.31 N ATOM 1647 NH2 ARG A 98 -13.379 8.094 5.942 1.00 71.14 N ATOM 0 H ARG A 98 -12.046 0.483 2.928 1.00 32.22 H new ATOM 0 HA ARG A 98 -11.564 2.100 5.160 1.00 71.43 H new ATOM 0 HB2 ARG A 98 -12.387 2.870 2.941 1.00 41.22 H new ATOM 0 HB3 ARG A 98 -13.914 2.053 3.215 1.00 41.22 H new ATOM 0 HG2 ARG A 98 -14.215 4.411 3.660 1.00 60.11 H new ATOM 0 HG3 ARG A 98 -14.342 3.543 5.177 1.00 60.11 H new ATOM 0 HD2 ARG A 98 -11.950 4.106 5.677 1.00 34.42 H new ATOM 0 HD3 ARG A 98 -11.865 5.013 4.180 1.00 34.42 H new ATOM 0 HE ARG A 98 -13.586 5.734 6.529 1.00 13.42 H new ATOM 0 HH11 ARG A 98 -11.992 6.573 3.538 1.00 52.31 H new ATOM 0 HH12 ARG A 98 -12.228 8.307 3.780 1.00 52.31 H new ATOM 0 HH21 ARG A 98 -13.853 7.913 6.827 1.00 71.14 H new ATOM 0 HH22 ARG A 98 -13.265 9.052 5.611 1.00 71.14 H new ATOM 1661 N ARG A 99 -14.347 0.304 5.381 1.00 4.11 N ATOM 1662 CA ARG A 99 -15.350 -0.215 6.317 1.00 23.22 C ATOM 1663 C ARG A 99 -14.706 -1.061 7.433 1.00 54.23 C ATOM 1664 O ARG A 99 -15.234 -1.142 8.546 1.00 32.32 O ATOM 1665 CB ARG A 99 -16.419 -1.020 5.552 1.00 60.24 C ATOM 1666 CG ARG A 99 -17.426 -1.741 6.451 1.00 4.02 C ATOM 1667 CD ARG A 99 -18.749 -2.010 5.736 1.00 45.23 C ATOM 1668 NE ARG A 99 -18.578 -2.681 4.446 1.00 10.11 N ATOM 1669 CZ ARG A 99 -19.511 -2.731 3.527 1.00 71.41 C ATOM 1670 NH1 ARG A 99 -20.668 -2.194 3.735 1.00 0.12 N ATOM 1671 NH2 ARG A 99 -19.289 -3.312 2.398 1.00 60.44 N ATOM 0 H ARG A 99 -14.452 -0.035 4.425 1.00 4.11 H new ATOM 0 HA ARG A 99 -15.833 0.633 6.802 1.00 23.22 H new ATOM 0 HB2 ARG A 99 -16.960 -0.345 4.889 1.00 60.24 H new ATOM 0 HB3 ARG A 99 -15.921 -1.756 4.921 1.00 60.24 H new ATOM 0 HG2 ARG A 99 -16.999 -2.685 6.788 1.00 4.02 H new ATOM 0 HG3 ARG A 99 -17.612 -1.140 7.341 1.00 4.02 H new ATOM 0 HD2 ARG A 99 -19.383 -2.623 6.376 1.00 45.23 H new ATOM 0 HD3 ARG A 99 -19.270 -1.065 5.581 1.00 45.23 H new ATOM 0 HE ARG A 99 -17.685 -3.134 4.252 1.00 10.11 H new ATOM 0 HH11 ARG A 99 -20.861 -1.726 4.620 1.00 0.12 H new ATOM 0 HH12 ARG A 99 -21.388 -2.238 3.014 1.00 0.12 H new ATOM 0 HH21 ARG A 99 -18.381 -3.738 2.214 1.00 60.44 H new ATOM 0 HH22 ARG A 99 -20.022 -3.346 1.689 1.00 60.44 H new ATOM 1685 N ARG A 100 -13.555 -1.673 7.144 1.00 11.52 N ATOM 1686 CA ARG A 100 -12.829 -2.460 8.153 1.00 12.14 C ATOM 1687 C ARG A 100 -12.178 -1.553 9.218 1.00 44.45 C ATOM 1688 O ARG A 100 -11.779 -2.025 10.282 1.00 31.44 O ATOM 1689 CB ARG A 100 -11.771 -3.356 7.487 1.00 74.32 C ATOM 1690 CG ARG A 100 -12.359 -4.297 6.439 1.00 32.22 C ATOM 1691 CD ARG A 100 -11.325 -5.257 5.859 1.00 14.15 C ATOM 1692 NE ARG A 100 -10.941 -6.298 6.812 1.00 54.01 N ATOM 1693 CZ ARG A 100 -10.507 -7.485 6.476 1.00 4.54 C ATOM 1694 NH1 ARG A 100 -10.385 -7.821 5.231 1.00 41.23 N ATOM 1695 NH2 ARG A 100 -10.218 -8.351 7.393 1.00 61.52 N ATOM 0 H ARG A 100 -13.106 -1.642 6.229 1.00 11.52 H new ATOM 0 HA ARG A 100 -13.555 -3.097 8.658 1.00 12.14 H new ATOM 0 HB2 ARG A 100 -11.014 -2.727 7.019 1.00 74.32 H new ATOM 0 HB3 ARG A 100 -11.267 -3.945 8.254 1.00 74.32 H new ATOM 0 HG2 ARG A 100 -13.170 -4.871 6.887 1.00 32.22 H new ATOM 0 HG3 ARG A 100 -12.794 -3.708 5.632 1.00 32.22 H new ATOM 0 HD2 ARG A 100 -11.728 -5.722 4.959 1.00 14.15 H new ATOM 0 HD3 ARG A 100 -10.439 -4.697 5.559 1.00 14.15 H new ATOM 0 HE ARG A 100 -11.017 -6.084 7.806 1.00 54.01 H new ATOM 0 HH11 ARG A 100 -10.629 -7.156 4.497 1.00 41.23 H new ATOM 0 HH12 ARG A 100 -10.045 -8.751 4.985 1.00 41.23 H new ATOM 0 HH21 ARG A 100 -10.329 -8.108 8.377 1.00 61.52 H new ATOM 0 HH22 ARG A 100 -9.879 -9.277 7.131 1.00 61.52 H new ATOM 1709 N GLY A 101 -12.072 -0.253 8.921 1.00 60.12 N ATOM 1710 CA GLY A 101 -11.597 0.715 9.913 1.00 34.51 C ATOM 1711 C GLY A 101 -10.416 1.572 9.454 1.00 2.50 C ATOM 1712 O GLY A 101 -10.095 2.581 10.087 1.00 71.52 O ATOM 0 H GLY A 101 -12.306 0.149 8.013 1.00 60.12 H new ATOM 0 HA2 GLY A 101 -12.423 1.373 10.183 1.00 34.51 H new ATOM 0 HA3 GLY A 101 -11.309 0.178 10.817 1.00 34.51 H new ATOM 1716 N PHE A 102 -9.773 1.194 8.354 1.00 10.02 N ATOM 1717 CA PHE A 102 -8.552 1.881 7.907 1.00 43.33 C ATOM 1718 C PHE A 102 -8.831 2.954 6.840 1.00 62.52 C ATOM 1719 O PHE A 102 -9.697 2.787 5.980 1.00 71.44 O ATOM 1720 CB PHE A 102 -7.550 0.857 7.365 1.00 43.44 C ATOM 1721 CG PHE A 102 -7.135 -0.170 8.391 1.00 44.42 C ATOM 1722 CD1 PHE A 102 -6.121 0.106 9.297 1.00 5.41 C ATOM 1723 CD2 PHE A 102 -7.768 -1.405 8.455 1.00 71.33 C ATOM 1724 CE1 PHE A 102 -5.747 -0.827 10.244 1.00 12.20 C ATOM 1725 CE2 PHE A 102 -7.395 -2.342 9.399 1.00 35.22 C ATOM 1726 CZ PHE A 102 -6.383 -2.052 10.295 1.00 24.14 C ATOM 0 H PHE A 102 -10.069 0.423 7.755 1.00 10.02 H new ATOM 0 HA PHE A 102 -8.135 2.393 8.774 1.00 43.33 H new ATOM 0 HB2 PHE A 102 -7.989 0.347 6.507 1.00 43.44 H new ATOM 0 HB3 PHE A 102 -6.664 1.380 7.005 1.00 43.44 H new ATOM 0 HD1 PHE A 102 -5.619 1.061 9.261 1.00 5.41 H new ATOM 0 HD2 PHE A 102 -8.561 -1.635 7.759 1.00 71.33 H new ATOM 0 HE1 PHE A 102 -4.957 -0.599 10.945 1.00 12.20 H new ATOM 0 HE2 PHE A 102 -7.893 -3.299 9.437 1.00 35.22 H new ATOM 0 HZ PHE A 102 -6.090 -2.783 11.034 1.00 24.14 H new ATOM 1736 N GLU A 103 -8.086 4.059 6.911 1.00 1.24 N ATOM 1737 CA GLU A 103 -8.159 5.117 5.895 1.00 14.21 C ATOM 1738 C GLU A 103 -7.425 4.683 4.618 1.00 24.41 C ATOM 1739 O GLU A 103 -6.281 4.231 4.677 1.00 2.25 O ATOM 1740 CB GLU A 103 -7.547 6.423 6.431 1.00 33.43 C ATOM 1741 CG GLU A 103 -8.204 6.948 7.704 1.00 74.21 C ATOM 1742 CD GLU A 103 -7.628 8.280 8.165 1.00 31.00 C ATOM 1743 OE1 GLU A 103 -8.149 9.339 7.742 1.00 42.43 O ATOM 1744 OE2 GLU A 103 -6.657 8.280 8.954 1.00 0.33 O ATOM 0 H GLU A 103 -7.423 4.247 7.663 1.00 1.24 H new ATOM 0 HA GLU A 103 -9.209 5.292 5.659 1.00 14.21 H new ATOM 0 HB2 GLU A 103 -6.486 6.261 6.624 1.00 33.43 H new ATOM 0 HB3 GLU A 103 -7.618 7.188 5.658 1.00 33.43 H new ATOM 0 HG2 GLU A 103 -9.275 7.061 7.534 1.00 74.21 H new ATOM 0 HG3 GLU A 103 -8.084 6.212 8.499 1.00 74.21 H new ATOM 1751 N VAL A 104 -8.072 4.830 3.463 1.00 64.12 N ATOM 1752 CA VAL A 104 -7.513 4.324 2.204 1.00 15.44 C ATOM 1753 C VAL A 104 -7.739 5.289 1.024 1.00 60.21 C ATOM 1754 O VAL A 104 -8.757 5.975 0.951 1.00 73.13 O ATOM 1755 CB VAL A 104 -8.115 2.936 1.859 1.00 55.52 C ATOM 1756 CG1 VAL A 104 -9.638 3.009 1.753 1.00 31.24 C ATOM 1757 CG2 VAL A 104 -7.504 2.378 0.576 1.00 22.53 C ATOM 0 H VAL A 104 -8.977 5.291 3.369 1.00 64.12 H new ATOM 0 HA VAL A 104 -6.438 4.234 2.357 1.00 15.44 H new ATOM 0 HB VAL A 104 -7.869 2.254 2.672 1.00 55.52 H new ATOM 0 HG11 VAL A 104 -10.034 2.023 1.510 1.00 31.24 H new ATOM 0 HG12 VAL A 104 -10.053 3.343 2.704 1.00 31.24 H new ATOM 0 HG13 VAL A 104 -9.915 3.714 0.969 1.00 31.24 H new ATOM 0 HG21 VAL A 104 -7.943 1.405 0.357 1.00 22.53 H new ATOM 0 HG22 VAL A 104 -7.705 3.061 -0.250 1.00 22.53 H new ATOM 0 HG23 VAL A 104 -6.427 2.270 0.703 1.00 22.53 H new ATOM 1767 N ARG A 105 -6.763 5.342 0.112 1.00 22.44 N ATOM 1768 CA ARG A 105 -6.891 6.093 -1.149 1.00 4.43 C ATOM 1769 C ARG A 105 -6.802 5.157 -2.368 1.00 21.42 C ATOM 1770 O ARG A 105 -6.276 4.046 -2.284 1.00 64.13 O ATOM 1771 CB ARG A 105 -5.817 7.190 -1.254 1.00 15.04 C ATOM 1772 CG ARG A 105 -6.133 8.447 -0.452 1.00 23.43 C ATOM 1773 CD ARG A 105 -5.163 9.582 -0.771 1.00 54.14 C ATOM 1774 NE ARG A 105 -5.087 9.862 -2.208 1.00 23.22 N ATOM 1775 CZ ARG A 105 -5.726 10.832 -2.813 1.00 73.24 C ATOM 1776 NH1 ARG A 105 -6.477 11.648 -2.148 1.00 42.43 N ATOM 1777 NH2 ARG A 105 -5.601 10.998 -4.089 1.00 2.34 N ATOM 0 H ARG A 105 -5.866 4.870 0.222 1.00 22.44 H new ATOM 0 HA ARG A 105 -7.873 6.565 -1.144 1.00 4.43 H new ATOM 0 HB2 ARG A 105 -4.864 6.785 -0.914 1.00 15.04 H new ATOM 0 HB3 ARG A 105 -5.692 7.462 -2.302 1.00 15.04 H new ATOM 0 HG2 ARG A 105 -7.152 8.769 -0.667 1.00 23.43 H new ATOM 0 HG3 ARG A 105 -6.088 8.219 0.613 1.00 23.43 H new ATOM 0 HD2 ARG A 105 -5.476 10.483 -0.244 1.00 54.14 H new ATOM 0 HD3 ARG A 105 -4.171 9.324 -0.400 1.00 54.14 H new ATOM 0 HE ARG A 105 -4.494 9.258 -2.777 1.00 23.22 H new ATOM 0 HH11 ARG A 105 -6.578 11.541 -1.139 1.00 42.43 H new ATOM 0 HH12 ARG A 105 -6.969 12.399 -2.633 1.00 42.43 H new ATOM 0 HH21 ARG A 105 -5.003 10.372 -4.629 1.00 2.34 H new ATOM 0 HH22 ARG A 105 -6.100 11.755 -4.556 1.00 2.34 H new ATOM 1791 N THR A 106 -7.314 5.630 -3.507 1.00 12.04 N ATOM 1792 CA THR A 106 -7.372 4.827 -4.739 1.00 21.21 C ATOM 1793 C THR A 106 -6.559 5.459 -5.877 1.00 52.10 C ATOM 1794 O THR A 106 -6.706 6.649 -6.166 1.00 61.04 O ATOM 1795 CB THR A 106 -8.832 4.677 -5.233 1.00 1.52 C ATOM 1796 OG1 THR A 106 -9.383 5.969 -5.552 1.00 43.10 O ATOM 1797 CG2 THR A 106 -9.705 4.002 -4.181 1.00 63.42 C ATOM 0 H THR A 106 -7.697 6.570 -3.605 1.00 12.04 H new ATOM 0 HA THR A 106 -6.950 3.854 -4.487 1.00 21.21 H new ATOM 0 HB THR A 106 -8.818 4.052 -6.126 1.00 1.52 H new ATOM 0 HG1 THR A 106 -8.655 6.599 -5.736 1.00 43.10 H new ATOM 0 HG21 THR A 106 -10.724 3.911 -4.557 1.00 63.42 H new ATOM 0 HG22 THR A 106 -9.309 3.010 -3.962 1.00 63.42 H new ATOM 0 HG23 THR A 106 -9.707 4.601 -3.271 1.00 63.42 H new ATOM 1805 N VAL A 107 -5.716 4.660 -6.530 1.00 64.13 N ATOM 1806 CA VAL A 107 -4.960 5.117 -7.707 1.00 20.42 C ATOM 1807 C VAL A 107 -4.994 4.067 -8.835 1.00 33.41 C ATOM 1808 O VAL A 107 -4.820 2.872 -8.591 1.00 30.45 O ATOM 1809 CB VAL A 107 -3.485 5.455 -7.347 1.00 5.20 C ATOM 1810 CG1 VAL A 107 -3.415 6.662 -6.411 1.00 62.51 C ATOM 1811 CG2 VAL A 107 -2.782 4.251 -6.721 1.00 73.43 C ATOM 0 H VAL A 107 -5.536 3.691 -6.267 1.00 64.13 H new ATOM 0 HA VAL A 107 -5.445 6.027 -8.059 1.00 20.42 H new ATOM 0 HB VAL A 107 -2.967 5.708 -8.272 1.00 5.20 H new ATOM 0 HG11 VAL A 107 -2.373 6.879 -6.174 1.00 62.51 H new ATOM 0 HG12 VAL A 107 -3.864 7.527 -6.899 1.00 62.51 H new ATOM 0 HG13 VAL A 107 -3.958 6.442 -5.492 1.00 62.51 H new ATOM 0 HG21 VAL A 107 -1.753 4.516 -6.479 1.00 73.43 H new ATOM 0 HG22 VAL A 107 -3.304 3.958 -5.810 1.00 73.43 H new ATOM 0 HG23 VAL A 107 -2.787 3.420 -7.426 1.00 73.43 H new ATOM 1821 N THR A 108 -5.240 4.514 -10.070 1.00 32.23 N ATOM 1822 CA THR A 108 -5.304 3.600 -11.229 1.00 41.44 C ATOM 1823 C THR A 108 -4.197 3.876 -12.260 1.00 22.55 C ATOM 1824 O THR A 108 -4.091 3.177 -13.266 1.00 74.51 O ATOM 1825 CB THR A 108 -6.674 3.675 -11.947 1.00 41.41 C ATOM 1826 OG1 THR A 108 -6.939 5.019 -12.382 1.00 72.33 O ATOM 1827 CG2 THR A 108 -7.799 3.206 -11.033 1.00 21.03 C ATOM 0 H THR A 108 -5.398 5.495 -10.299 1.00 32.23 H new ATOM 0 HA THR A 108 -5.161 2.601 -10.817 1.00 41.44 H new ATOM 0 HB THR A 108 -6.631 3.016 -12.814 1.00 41.41 H new ATOM 0 HG1 THR A 108 -7.807 5.051 -12.836 1.00 72.33 H new ATOM 0 HG21 THR A 108 -8.749 3.269 -11.563 1.00 21.03 H new ATOM 0 HG22 THR A 108 -7.619 2.173 -10.734 1.00 21.03 H new ATOM 0 HG23 THR A 108 -7.835 3.839 -10.146 1.00 21.03 H new ATOM 1835 N SER A 109 -3.375 4.892 -12.005 1.00 43.44 N ATOM 1836 CA SER A 109 -2.241 5.230 -12.887 1.00 25.04 C ATOM 1837 C SER A 109 -1.052 5.768 -12.070 1.00 35.21 C ATOM 1838 O SER A 109 -1.242 6.309 -10.977 1.00 1.22 O ATOM 1839 CB SER A 109 -2.660 6.267 -13.944 1.00 72.41 C ATOM 1840 OG SER A 109 -3.605 5.730 -14.865 1.00 23.12 O ATOM 0 H SER A 109 -3.467 5.503 -11.193 1.00 43.44 H new ATOM 0 HA SER A 109 -1.932 4.316 -13.395 1.00 25.04 H new ATOM 0 HB2 SER A 109 -3.089 7.138 -13.449 1.00 72.41 H new ATOM 0 HB3 SER A 109 -1.779 6.610 -14.486 1.00 72.41 H new ATOM 0 HG SER A 109 -3.850 6.416 -15.520 1.00 23.12 H new ATOM 1846 N PRO A 110 0.193 5.632 -12.584 1.00 45.23 N ATOM 1847 CA PRO A 110 1.407 6.094 -11.876 1.00 63.43 C ATOM 1848 C PRO A 110 1.354 7.583 -11.479 1.00 61.24 C ATOM 1849 O PRO A 110 1.733 7.952 -10.364 1.00 34.44 O ATOM 1850 CB PRO A 110 2.542 5.838 -12.889 1.00 15.33 C ATOM 1851 CG PRO A 110 1.859 5.627 -14.203 1.00 0.53 C ATOM 1852 CD PRO A 110 0.524 5.015 -13.880 1.00 10.03 C ATOM 0 HA PRO A 110 1.536 5.569 -10.930 1.00 63.43 H new ATOM 0 HB2 PRO A 110 3.228 6.684 -12.934 1.00 15.33 H new ATOM 0 HB3 PRO A 110 3.131 4.965 -12.607 1.00 15.33 H new ATOM 0 HG2 PRO A 110 1.738 6.570 -14.736 1.00 0.53 H new ATOM 0 HG3 PRO A 110 2.444 4.970 -14.846 1.00 0.53 H new ATOM 0 HD2 PRO A 110 -0.222 5.245 -14.641 1.00 10.03 H new ATOM 0 HD3 PRO A 110 0.582 3.929 -13.809 1.00 10.03 H new ATOM 1860 N ASP A 111 0.877 8.432 -12.390 1.00 0.41 N ATOM 1861 CA ASP A 111 0.756 9.873 -12.117 1.00 14.13 C ATOM 1862 C ASP A 111 -0.230 10.153 -10.968 1.00 2.30 C ATOM 1863 O ASP A 111 -0.002 11.042 -10.144 1.00 45.20 O ATOM 1864 CB ASP A 111 0.338 10.618 -13.390 1.00 73.41 C ATOM 1865 CG ASP A 111 -0.877 9.996 -14.051 1.00 31.11 C ATOM 1866 OD1 ASP A 111 -0.714 8.985 -14.768 1.00 62.23 O ATOM 1867 OD2 ASP A 111 -1.994 10.510 -13.857 1.00 4.41 O ATOM 0 H ASP A 111 0.568 8.153 -13.321 1.00 0.41 H new ATOM 0 HA ASP A 111 1.733 10.239 -11.800 1.00 14.13 H new ATOM 0 HB2 ASP A 111 0.122 11.658 -13.145 1.00 73.41 H new ATOM 0 HB3 ASP A 111 1.169 10.622 -14.095 1.00 73.41 H new ATOM 1872 N ASP A 112 -1.321 9.385 -10.915 1.00 42.02 N ATOM 1873 CA ASP A 112 -2.283 9.478 -9.810 1.00 53.43 C ATOM 1874 C ASP A 112 -1.622 9.145 -8.462 1.00 71.33 C ATOM 1875 O ASP A 112 -1.952 9.745 -7.434 1.00 63.33 O ATOM 1876 CB ASP A 112 -3.473 8.542 -10.048 1.00 44.31 C ATOM 1877 CG ASP A 112 -4.371 9.020 -11.173 1.00 15.11 C ATOM 1878 OD1 ASP A 112 -5.084 10.027 -10.981 1.00 33.11 O ATOM 1879 OD2 ASP A 112 -4.390 8.382 -12.242 1.00 1.05 O ATOM 0 H ASP A 112 -1.562 8.692 -11.623 1.00 42.02 H new ATOM 0 HA ASP A 112 -2.640 10.507 -9.774 1.00 53.43 H new ATOM 0 HB2 ASP A 112 -3.105 7.543 -10.281 1.00 44.31 H new ATOM 0 HB3 ASP A 112 -4.057 8.461 -9.131 1.00 44.31 H new ATOM 1884 N PHE A 113 -0.700 8.180 -8.471 1.00 60.20 N ATOM 1885 CA PHE A 113 0.039 7.815 -7.259 1.00 0.34 C ATOM 1886 C PHE A 113 0.881 8.995 -6.754 1.00 73.14 C ATOM 1887 O PHE A 113 0.869 9.306 -5.565 1.00 3.13 O ATOM 1888 CB PHE A 113 0.935 6.595 -7.507 1.00 21.33 C ATOM 1889 CG PHE A 113 1.721 6.173 -6.288 1.00 0.43 C ATOM 1890 CD1 PHE A 113 1.096 5.516 -5.237 1.00 52.14 C ATOM 1891 CD2 PHE A 113 3.080 6.438 -6.190 1.00 31.24 C ATOM 1892 CE1 PHE A 113 1.813 5.128 -4.121 1.00 41.13 C ATOM 1893 CE2 PHE A 113 3.799 6.054 -5.077 1.00 31.30 C ATOM 1894 CZ PHE A 113 3.165 5.401 -4.041 1.00 71.51 C ATOM 0 H PHE A 113 -0.448 7.640 -9.298 1.00 60.20 H new ATOM 0 HA PHE A 113 -0.691 7.557 -6.492 1.00 0.34 H new ATOM 0 HB2 PHE A 113 0.317 5.761 -7.839 1.00 21.33 H new ATOM 0 HB3 PHE A 113 1.628 6.821 -8.317 1.00 21.33 H new ATOM 0 HD1 PHE A 113 0.038 5.306 -5.292 1.00 52.14 H new ATOM 0 HD2 PHE A 113 3.582 6.952 -6.997 1.00 31.24 H new ATOM 0 HE1 PHE A 113 1.317 4.612 -3.312 1.00 41.13 H new ATOM 0 HE2 PHE A 113 4.857 6.264 -5.017 1.00 31.30 H new ATOM 0 HZ PHE A 113 3.725 5.103 -3.167 1.00 71.51 H new ATOM 1904 N LYS A 114 1.610 9.642 -7.664 1.00 13.53 N ATOM 1905 CA LYS A 114 2.366 10.857 -7.329 1.00 53.13 C ATOM 1906 C LYS A 114 1.436 11.923 -6.733 1.00 1.11 C ATOM 1907 O LYS A 114 1.613 12.355 -5.594 1.00 42.21 O ATOM 1908 CB LYS A 114 3.060 11.419 -8.582 1.00 74.00 C ATOM 1909 CG LYS A 114 3.778 12.749 -8.349 1.00 4.41 C ATOM 1910 CD LYS A 114 4.308 13.352 -9.650 1.00 53.22 C ATOM 1911 CE LYS A 114 5.439 12.526 -10.254 1.00 23.14 C ATOM 1912 NZ LYS A 114 6.672 12.568 -9.423 1.00 61.43 N ATOM 0 H LYS A 114 1.695 9.349 -8.637 1.00 13.53 H new ATOM 0 HA LYS A 114 3.122 10.594 -6.590 1.00 53.13 H new ATOM 0 HB2 LYS A 114 3.781 10.687 -8.945 1.00 74.00 H new ATOM 0 HB3 LYS A 114 2.317 11.551 -9.368 1.00 74.00 H new ATOM 0 HG2 LYS A 114 3.093 13.453 -7.877 1.00 4.41 H new ATOM 0 HG3 LYS A 114 4.606 12.597 -7.657 1.00 4.41 H new ATOM 0 HD2 LYS A 114 3.493 13.429 -10.370 1.00 53.22 H new ATOM 0 HD3 LYS A 114 4.663 14.365 -9.460 1.00 53.22 H new ATOM 0 HE2 LYS A 114 5.112 11.492 -10.364 1.00 23.14 H new ATOM 0 HE3 LYS A 114 5.664 12.898 -11.254 1.00 23.14 H new ATOM 0 HZ1 LYS A 114 7.452 12.108 -9.935 1.00 61.43 H new ATOM 0 HZ2 LYS A 114 6.924 13.557 -9.225 1.00 61.43 H new ATOM 0 HZ3 LYS A 114 6.504 12.068 -8.527 1.00 61.43 H new ATOM 1926 N LYS A 115 0.425 12.313 -7.509 1.00 23.15 N ATOM 1927 CA LYS A 115 -0.549 13.332 -7.095 1.00 14.43 C ATOM 1928 C LYS A 115 -1.201 12.999 -5.737 1.00 55.41 C ATOM 1929 O LYS A 115 -1.690 13.887 -5.038 1.00 72.34 O ATOM 1930 CB LYS A 115 -1.615 13.482 -8.185 1.00 74.02 C ATOM 1931 CG LYS A 115 -1.050 14.028 -9.495 1.00 4.30 C ATOM 1932 CD LYS A 115 -2.040 13.904 -10.644 1.00 54.41 C ATOM 1933 CE LYS A 115 -3.316 14.702 -10.404 1.00 71.42 C ATOM 1934 NZ LYS A 115 -3.054 16.154 -10.224 1.00 74.13 N ATOM 0 H LYS A 115 0.255 11.935 -8.441 1.00 23.15 H new ATOM 0 HA LYS A 115 -0.019 14.276 -6.964 1.00 14.43 H new ATOM 0 HB2 LYS A 115 -2.077 12.513 -8.370 1.00 74.02 H new ATOM 0 HB3 LYS A 115 -2.401 14.147 -7.829 1.00 74.02 H new ATOM 0 HG2 LYS A 115 -0.779 15.075 -9.363 1.00 4.30 H new ATOM 0 HG3 LYS A 115 -0.135 13.491 -9.746 1.00 4.30 H new ATOM 0 HD2 LYS A 115 -1.568 14.248 -11.564 1.00 54.41 H new ATOM 0 HD3 LYS A 115 -2.294 12.854 -10.789 1.00 54.41 H new ATOM 0 HE2 LYS A 115 -3.993 14.560 -11.246 1.00 71.42 H new ATOM 0 HE3 LYS A 115 -3.822 14.315 -9.519 1.00 71.42 H new ATOM 0 HZ1 LYS A 115 -3.956 16.671 -10.217 1.00 74.13 H new ATOM 0 HZ2 LYS A 115 -2.559 16.308 -9.322 1.00 74.13 H new ATOM 0 HZ3 LYS A 115 -2.463 16.500 -11.007 1.00 74.13 H new ATOM 1948 N SER A 116 -1.216 11.713 -5.385 1.00 12.44 N ATOM 1949 CA SER A 116 -1.712 11.254 -4.077 1.00 70.01 C ATOM 1950 C SER A 116 -0.642 11.387 -2.981 1.00 52.45 C ATOM 1951 O SER A 116 -0.842 12.067 -1.971 1.00 4.21 O ATOM 1952 CB SER A 116 -2.160 9.785 -4.173 1.00 43.53 C ATOM 1953 OG SER A 116 -2.583 9.280 -2.914 1.00 54.45 O ATOM 0 H SER A 116 -0.888 10.961 -5.991 1.00 12.44 H new ATOM 0 HA SER A 116 -2.557 11.888 -3.806 1.00 70.01 H new ATOM 0 HB2 SER A 116 -2.975 9.700 -4.892 1.00 43.53 H new ATOM 0 HB3 SER A 116 -1.337 9.178 -4.551 1.00 43.53 H new ATOM 0 HG SER A 116 -2.709 8.310 -2.976 1.00 54.45 H new ATOM 1959 N LEU A 117 0.503 10.740 -3.200 1.00 12.12 N ATOM 1960 CA LEU A 117 1.564 10.644 -2.187 1.00 55.34 C ATOM 1961 C LEU A 117 2.135 12.025 -1.810 1.00 61.31 C ATOM 1962 O LEU A 117 2.371 12.303 -0.631 1.00 32.40 O ATOM 1963 CB LEU A 117 2.689 9.727 -2.698 1.00 42.32 C ATOM 1964 CG LEU A 117 3.773 9.369 -1.665 1.00 3.42 C ATOM 1965 CD1 LEU A 117 3.180 8.554 -0.516 1.00 54.42 C ATOM 1966 CD2 LEU A 117 4.927 8.616 -2.328 1.00 65.14 C ATOM 0 H LEU A 117 0.724 10.269 -4.077 1.00 12.12 H new ATOM 0 HA LEU A 117 1.123 10.220 -1.285 1.00 55.34 H new ATOM 0 HB2 LEU A 117 2.242 8.803 -3.065 1.00 42.32 H new ATOM 0 HB3 LEU A 117 3.169 10.209 -3.550 1.00 42.32 H new ATOM 0 HG LEU A 117 4.168 10.297 -1.252 1.00 3.42 H new ATOM 0 HD11 LEU A 117 3.964 8.313 0.201 1.00 54.42 H new ATOM 0 HD12 LEU A 117 2.402 9.135 -0.021 1.00 54.42 H new ATOM 0 HD13 LEU A 117 2.750 7.632 -0.908 1.00 54.42 H new ATOM 0 HD21 LEU A 117 5.681 8.373 -1.579 1.00 65.14 H new ATOM 0 HD22 LEU A 117 4.551 7.696 -2.776 1.00 65.14 H new ATOM 0 HD23 LEU A 117 5.372 9.241 -3.102 1.00 65.14 H new ATOM 1978 N GLU A 118 2.346 12.882 -2.814 1.00 52.24 N ATOM 1979 CA GLU A 118 2.881 14.238 -2.594 1.00 31.41 C ATOM 1980 C GLU A 118 2.083 15.000 -1.521 1.00 23.33 C ATOM 1981 O GLU A 118 2.643 15.767 -0.738 1.00 21.33 O ATOM 1982 CB GLU A 118 2.856 15.041 -3.904 1.00 24.12 C ATOM 1983 CG GLU A 118 3.705 14.450 -5.027 1.00 4.30 C ATOM 1984 CD GLU A 118 5.182 14.358 -4.681 1.00 63.32 C ATOM 1985 OE1 GLU A 118 5.821 15.420 -4.509 1.00 62.10 O ATOM 1986 OE2 GLU A 118 5.712 13.230 -4.589 1.00 22.51 O ATOM 0 H GLU A 118 2.155 12.664 -3.792 1.00 52.24 H new ATOM 0 HA GLU A 118 3.908 14.126 -2.246 1.00 31.41 H new ATOM 0 HB2 GLU A 118 1.825 15.118 -4.248 1.00 24.12 H new ATOM 0 HB3 GLU A 118 3.201 16.055 -3.700 1.00 24.12 H new ATOM 0 HG2 GLU A 118 3.333 13.454 -5.268 1.00 4.30 H new ATOM 0 HG3 GLU A 118 3.586 15.060 -5.922 1.00 4.30 H new ATOM 1993 N ARG A 119 0.773 14.779 -1.497 1.00 24.40 N ATOM 1994 CA ARG A 119 -0.108 15.445 -0.534 1.00 23.42 C ATOM 1995 C ARG A 119 -0.007 14.791 0.850 1.00 13.20 C ATOM 1996 O ARG A 119 0.260 15.457 1.853 1.00 33.24 O ATOM 1997 CB ARG A 119 -1.558 15.383 -1.026 1.00 64.21 C ATOM 1998 CG ARG A 119 -1.737 15.861 -2.461 1.00 32.00 C ATOM 1999 CD ARG A 119 -3.185 15.754 -2.921 1.00 44.35 C ATOM 2000 NE ARG A 119 -3.324 16.102 -4.332 1.00 40.21 N ATOM 2001 CZ ARG A 119 -3.945 17.160 -4.769 1.00 12.10 C ATOM 2002 NH1 ARG A 119 -4.525 17.975 -3.947 1.00 1.12 N ATOM 2003 NH2 ARG A 119 -3.995 17.402 -6.037 1.00 14.13 N ATOM 0 H ARG A 119 0.293 14.143 -2.134 1.00 24.40 H new ATOM 0 HA ARG A 119 0.207 16.485 -0.448 1.00 23.42 H new ATOM 0 HB2 ARG A 119 -1.916 14.357 -0.947 1.00 64.21 H new ATOM 0 HB3 ARG A 119 -2.182 15.990 -0.370 1.00 64.21 H new ATOM 0 HG2 ARG A 119 -1.406 16.896 -2.542 1.00 32.00 H new ATOM 0 HG3 ARG A 119 -1.102 15.271 -3.122 1.00 32.00 H new ATOM 0 HD2 ARG A 119 -3.546 14.738 -2.758 1.00 44.35 H new ATOM 0 HD3 ARG A 119 -3.809 16.414 -2.319 1.00 44.35 H new ATOM 0 HE ARG A 119 -2.907 15.475 -5.021 1.00 40.21 H new ATOM 0 HH11 ARG A 119 -4.499 17.792 -2.944 1.00 1.12 H new ATOM 0 HH12 ARG A 119 -5.008 18.800 -4.303 1.00 1.12 H new ATOM 0 HH21 ARG A 119 -3.548 16.764 -6.696 1.00 14.13 H new ATOM 0 HH22 ARG A 119 -4.481 18.231 -6.379 1.00 14.13 H new ATOM 2017 N LEU A 120 -0.195 13.472 0.881 1.00 3.25 N ATOM 2018 CA LEU A 120 -0.228 12.709 2.135 1.00 24.44 C ATOM 2019 C LEU A 120 1.025 12.943 2.990 1.00 43.44 C ATOM 2020 O LEU A 120 0.923 13.191 4.192 1.00 34.51 O ATOM 2021 CB LEU A 120 -0.387 11.214 1.833 1.00 74.02 C ATOM 2022 CG LEU A 120 -1.634 10.846 1.013 1.00 4.12 C ATOM 2023 CD1 LEU A 120 -1.684 9.345 0.760 1.00 51.13 C ATOM 2024 CD2 LEU A 120 -2.907 11.325 1.713 1.00 3.22 C ATOM 0 H LEU A 120 -0.328 12.903 0.045 1.00 3.25 H new ATOM 0 HA LEU A 120 -1.084 13.062 2.710 1.00 24.44 H new ATOM 0 HB2 LEU A 120 0.497 10.871 1.295 1.00 74.02 H new ATOM 0 HB3 LEU A 120 -0.417 10.669 2.777 1.00 74.02 H new ATOM 0 HG LEU A 120 -1.571 11.352 0.049 1.00 4.12 H new ATOM 0 HD11 LEU A 120 -2.574 9.104 0.178 1.00 51.13 H new ATOM 0 HD12 LEU A 120 -0.795 9.039 0.208 1.00 51.13 H new ATOM 0 HD13 LEU A 120 -1.719 8.816 1.713 1.00 51.13 H new ATOM 0 HD21 LEU A 120 -3.776 11.053 1.114 1.00 3.22 H new ATOM 0 HD22 LEU A 120 -2.981 10.856 2.694 1.00 3.22 H new ATOM 0 HD23 LEU A 120 -2.872 12.408 1.831 1.00 3.22 H new ATOM 2036 N ILE A 121 2.203 12.884 2.365 1.00 34.44 N ATOM 2037 CA ILE A 121 3.468 13.114 3.077 1.00 0.31 C ATOM 2038 C ILE A 121 3.468 14.471 3.807 1.00 53.15 C ATOM 2039 O ILE A 121 4.012 14.601 4.908 1.00 74.53 O ATOM 2040 CB ILE A 121 4.678 13.051 2.106 1.00 63.03 C ATOM 2041 CG1 ILE A 121 4.781 11.649 1.477 1.00 5.30 C ATOM 2042 CG2 ILE A 121 5.980 13.424 2.821 1.00 22.43 C ATOM 2043 CD1 ILE A 121 5.928 11.498 0.499 1.00 3.34 C ATOM 0 H ILE A 121 2.310 12.680 1.371 1.00 34.44 H new ATOM 0 HA ILE A 121 3.563 12.319 3.817 1.00 0.31 H new ATOM 0 HB ILE A 121 4.518 13.779 1.311 1.00 63.03 H new ATOM 0 HG12 ILE A 121 4.895 10.912 2.272 1.00 5.30 H new ATOM 0 HG13 ILE A 121 3.847 11.422 0.964 1.00 5.30 H new ATOM 0 HG21 ILE A 121 6.810 13.371 2.116 1.00 22.43 H new ATOM 0 HG22 ILE A 121 5.902 14.438 3.214 1.00 22.43 H new ATOM 0 HG23 ILE A 121 6.156 12.729 3.642 1.00 22.43 H new ATOM 0 HD11 ILE A 121 5.934 10.484 0.099 1.00 3.34 H new ATOM 0 HD12 ILE A 121 5.806 12.210 -0.318 1.00 3.34 H new ATOM 0 HD13 ILE A 121 6.871 11.692 1.011 1.00 3.34 H new ATOM 2055 N ARG A 122 2.842 15.473 3.195 1.00 33.13 N ATOM 2056 CA ARG A 122 2.765 16.812 3.787 1.00 3.42 C ATOM 2057 C ARG A 122 1.755 16.852 4.948 1.00 24.12 C ATOM 2058 O ARG A 122 1.978 17.521 5.957 1.00 2.12 O ATOM 2059 CB ARG A 122 2.370 17.848 2.721 1.00 74.22 C ATOM 2060 CG ARG A 122 3.262 17.841 1.481 1.00 5.21 C ATOM 2061 CD ARG A 122 4.725 18.095 1.825 1.00 55.31 C ATOM 2062 NE ARG A 122 4.920 19.367 2.521 1.00 44.05 N ATOM 2063 CZ ARG A 122 6.087 19.895 2.776 1.00 12.52 C ATOM 2064 NH1 ARG A 122 7.175 19.331 2.347 1.00 4.55 N ATOM 2065 NH2 ARG A 122 6.157 21.005 3.439 1.00 24.33 N ATOM 0 H ARG A 122 2.380 15.386 2.290 1.00 33.13 H new ATOM 0 HA ARG A 122 3.752 17.057 4.180 1.00 3.42 H new ATOM 0 HB2 ARG A 122 1.340 17.664 2.415 1.00 74.22 H new ATOM 0 HB3 ARG A 122 2.397 18.842 3.168 1.00 74.22 H new ATOM 0 HG2 ARG A 122 3.171 16.880 0.975 1.00 5.21 H new ATOM 0 HG3 ARG A 122 2.917 18.603 0.782 1.00 5.21 H new ATOM 0 HD2 ARG A 122 5.095 17.282 2.449 1.00 55.31 H new ATOM 0 HD3 ARG A 122 5.317 18.090 0.910 1.00 55.31 H new ATOM 0 HE ARG A 122 4.090 19.875 2.827 1.00 44.05 H new ATOM 0 HH11 ARG A 122 7.123 18.468 1.806 1.00 4.55 H new ATOM 0 HH12 ARG A 122 8.082 19.751 2.551 1.00 4.55 H new ATOM 0 HH21 ARG A 122 5.303 21.462 3.759 1.00 24.33 H new ATOM 0 HH22 ARG A 122 7.066 21.422 3.641 1.00 24.33 H new ATOM 2079 N GLU A 123 0.650 16.123 4.795 1.00 52.40 N ATOM 2080 CA GLU A 123 -0.434 16.126 5.788 1.00 73.13 C ATOM 2081 C GLU A 123 -0.076 15.311 7.047 1.00 53.13 C ATOM 2082 O GLU A 123 -0.229 15.792 8.173 1.00 33.40 O ATOM 2083 CB GLU A 123 -1.727 15.579 5.161 1.00 41.53 C ATOM 2084 CG GLU A 123 -2.188 16.347 3.924 1.00 51.41 C ATOM 2085 CD GLU A 123 -3.533 15.867 3.395 1.00 1.54 C ATOM 2086 OE1 GLU A 123 -3.588 14.785 2.770 1.00 61.03 O ATOM 2087 OE2 GLU A 123 -4.545 16.574 3.600 1.00 61.43 O ATOM 0 H GLU A 123 0.478 15.519 3.991 1.00 52.40 H new ATOM 0 HA GLU A 123 -0.584 17.160 6.099 1.00 73.13 H new ATOM 0 HB2 GLU A 123 -1.575 14.534 4.892 1.00 41.53 H new ATOM 0 HB3 GLU A 123 -2.520 15.603 5.908 1.00 41.53 H new ATOM 0 HG2 GLU A 123 -2.256 17.408 4.166 1.00 51.41 H new ATOM 0 HG3 GLU A 123 -1.438 16.246 3.140 1.00 51.41 H new ATOM 2094 N VAL A 124 0.398 14.080 6.855 1.00 63.21 N ATOM 2095 CA VAL A 124 0.690 13.175 7.979 1.00 14.51 C ATOM 2096 C VAL A 124 2.062 13.461 8.621 1.00 63.41 C ATOM 2097 O VAL A 124 2.253 13.238 9.818 1.00 14.41 O ATOM 2098 CB VAL A 124 0.626 11.687 7.535 1.00 21.33 C ATOM 2099 CG1 VAL A 124 1.744 11.355 6.548 1.00 45.43 C ATOM 2100 CG2 VAL A 124 0.670 10.752 8.744 1.00 45.54 C ATOM 0 H VAL A 124 0.589 13.682 5.935 1.00 63.21 H new ATOM 0 HA VAL A 124 -0.080 13.361 8.728 1.00 14.51 H new ATOM 0 HB VAL A 124 -0.325 11.534 7.025 1.00 21.33 H new ATOM 0 HG11 VAL A 124 1.672 10.307 6.256 1.00 45.43 H new ATOM 0 HG12 VAL A 124 1.648 11.985 5.664 1.00 45.43 H new ATOM 0 HG13 VAL A 124 2.710 11.535 7.019 1.00 45.43 H new ATOM 0 HG21 VAL A 124 0.624 9.717 8.405 1.00 45.54 H new ATOM 0 HG22 VAL A 124 1.597 10.913 9.295 1.00 45.54 H new ATOM 0 HG23 VAL A 124 -0.179 10.959 9.395 1.00 45.54 H new ATOM 2110 N GLY A 125 3.008 13.968 7.829 1.00 43.53 N ATOM 2111 CA GLY A 125 4.363 14.204 8.328 1.00 54.43 C ATOM 2112 C GLY A 125 4.542 15.546 9.042 1.00 5.42 C ATOM 2113 O GLY A 125 5.670 15.984 9.275 1.00 52.11 O ATOM 0 H GLY A 125 2.864 14.220 6.851 1.00 43.53 H new ATOM 0 HA2 GLY A 125 4.631 13.401 9.015 1.00 54.43 H new ATOM 0 HA3 GLY A 125 5.060 14.154 7.492 1.00 54.43 H new ATOM 2117 N SER A 126 3.439 16.197 9.401 1.00 63.21 N ATOM 2118 CA SER A 126 3.496 17.500 10.079 1.00 65.41 C ATOM 2119 C SER A 126 3.800 17.347 11.579 1.00 65.32 C ATOM 2120 O SER A 126 2.933 16.960 12.364 1.00 12.35 O ATOM 2121 CB SER A 126 2.173 18.256 9.893 1.00 4.21 C ATOM 2122 OG SER A 126 1.078 17.508 10.404 1.00 73.15 O ATOM 0 H SER A 126 2.494 15.849 9.237 1.00 63.21 H new ATOM 0 HA SER A 126 4.307 18.069 9.626 1.00 65.41 H new ATOM 0 HB2 SER A 126 2.227 19.219 10.400 1.00 4.21 H new ATOM 0 HB3 SER A 126 2.014 18.462 8.834 1.00 4.21 H new ATOM 0 HG SER A 126 1.327 17.109 11.264 1.00 73.15 H new ATOM 2128 N LEU A 127 5.042 17.636 11.968 1.00 73.44 N ATOM 2129 CA LEU A 127 5.448 17.583 13.383 1.00 74.43 C ATOM 2130 C LEU A 127 5.146 18.907 14.105 1.00 64.14 C ATOM 2131 O LEU A 127 5.071 18.961 15.336 1.00 43.24 O ATOM 2132 CB LEU A 127 6.941 17.207 13.501 1.00 32.11 C ATOM 2133 CG LEU A 127 7.936 18.048 12.666 1.00 22.13 C ATOM 2134 CD1 LEU A 127 8.186 19.420 13.289 1.00 2.21 C ATOM 2135 CD2 LEU A 127 9.251 17.296 12.484 1.00 12.30 C ATOM 0 H LEU A 127 5.788 17.910 11.328 1.00 73.44 H new ATOM 0 HA LEU A 127 4.861 16.808 13.875 1.00 74.43 H new ATOM 0 HB2 LEU A 127 7.229 17.281 14.550 1.00 32.11 H new ATOM 0 HB3 LEU A 127 7.053 16.162 13.213 1.00 32.11 H new ATOM 0 HG LEU A 127 7.484 18.211 11.688 1.00 22.13 H new ATOM 0 HD11 LEU A 127 8.890 19.977 12.671 1.00 2.21 H new ATOM 0 HD12 LEU A 127 7.246 19.968 13.352 1.00 2.21 H new ATOM 0 HD13 LEU A 127 8.601 19.295 14.289 1.00 2.21 H new ATOM 0 HD21 LEU A 127 9.938 17.903 11.894 1.00 12.30 H new ATOM 0 HD22 LEU A 127 9.692 17.093 13.460 1.00 12.30 H new ATOM 0 HD23 LEU A 127 9.063 16.355 11.967 1.00 12.30 H new ATOM 2147 N GLU A 128 4.978 19.968 13.323 1.00 3.53 N ATOM 2148 CA GLU A 128 4.617 21.292 13.841 1.00 2.04 C ATOM 2149 C GLU A 128 3.302 21.766 13.206 1.00 23.12 C ATOM 2150 O GLU A 128 3.015 21.443 12.052 1.00 55.31 O ATOM 2151 CB GLU A 128 5.737 22.298 13.542 1.00 53.55 C ATOM 2152 CG GLU A 128 5.442 23.720 14.010 1.00 75.13 C ATOM 2153 CD GLU A 128 6.493 24.715 13.548 1.00 11.22 C ATOM 2154 OE1 GLU A 128 6.452 25.118 12.367 1.00 2.44 O ATOM 2155 OE2 GLU A 128 7.365 25.093 14.359 1.00 2.42 O ATOM 0 H GLU A 128 5.088 19.939 12.309 1.00 3.53 H new ATOM 0 HA GLU A 128 4.483 21.223 14.921 1.00 2.04 H new ATOM 0 HB2 GLU A 128 6.655 21.954 14.018 1.00 53.55 H new ATOM 0 HB3 GLU A 128 5.920 22.312 12.468 1.00 53.55 H new ATOM 0 HG2 GLU A 128 4.466 24.027 13.635 1.00 75.13 H new ATOM 0 HG3 GLU A 128 5.385 23.736 15.098 1.00 75.13 H new ATOM 2162 N HIS A 129 2.505 22.530 13.963 1.00 64.43 N ATOM 2163 CA HIS A 129 1.183 22.976 13.498 1.00 12.22 C ATOM 2164 C HIS A 129 0.275 21.779 13.163 1.00 54.43 C ATOM 2165 O HIS A 129 -0.649 21.891 12.358 1.00 22.13 O ATOM 2166 CB HIS A 129 1.323 23.904 12.280 1.00 40.32 C ATOM 2167 CG HIS A 129 1.931 25.236 12.601 1.00 12.33 C ATOM 2168 ND1 HIS A 129 3.243 25.554 12.335 1.00 22.33 N ATOM 2169 CD2 HIS A 129 1.390 26.343 13.160 1.00 42.33 C ATOM 2170 CE1 HIS A 129 3.482 26.790 12.715 1.00 22.24 C ATOM 2171 NE2 HIS A 129 2.375 27.296 13.218 1.00 52.14 N ATOM 0 H HIS A 129 2.751 22.853 14.899 1.00 64.43 H new ATOM 0 HA HIS A 129 0.715 23.534 14.309 1.00 12.22 H new ATOM 0 HB2 HIS A 129 1.934 23.408 11.526 1.00 40.32 H new ATOM 0 HB3 HIS A 129 0.338 24.061 11.840 1.00 40.32 H new ATOM 0 HD1 HIS A 129 3.925 24.927 11.909 1.00 22.33 H new ATOM 0 HD2 HIS A 129 0.371 26.456 13.498 1.00 42.33 H new ATOM 0 HE1 HIS A 129 4.428 27.304 12.629 1.00 22.24 H new ATOM 2180 N HIS A 130 0.531 20.642 13.812 1.00 70.12 N ATOM 2181 CA HIS A 130 -0.257 19.428 13.583 1.00 22.55 C ATOM 2182 C HIS A 130 -1.671 19.580 14.167 1.00 65.33 C ATOM 2183 O HIS A 130 -2.620 18.943 13.708 1.00 54.20 O ATOM 2184 CB HIS A 130 0.451 18.213 14.201 1.00 32.35 C ATOM 2185 CG HIS A 130 -0.122 16.896 13.767 1.00 72.31 C ATOM 2186 ND1 HIS A 130 0.299 16.235 12.636 1.00 35.12 N ATOM 2187 CD2 HIS A 130 -1.090 16.119 14.312 1.00 21.21 C ATOM 2188 CE1 HIS A 130 -0.381 15.116 12.498 1.00 34.30 C ATOM 2189 NE2 HIS A 130 -1.229 15.021 13.501 1.00 12.11 N ATOM 0 H HIS A 130 1.277 20.536 14.500 1.00 70.12 H new ATOM 0 HA HIS A 130 -0.347 19.272 12.508 1.00 22.55 H new ATOM 0 HB2 HIS A 130 1.507 18.245 13.935 1.00 32.35 H new ATOM 0 HB3 HIS A 130 0.394 18.284 15.287 1.00 32.35 H new ATOM 0 HD2 HIS A 130 -1.647 16.325 15.214 1.00 21.21 H new ATOM 0 HE1 HIS A 130 -0.263 14.399 11.699 1.00 34.30 H new ATOM 0 HE2 HIS A 130 -1.884 14.254 13.651 1.00 12.11 H new ATOM 2198 N HIS A 131 -1.795 20.425 15.192 1.00 31.54 N ATOM 2199 CA HIS A 131 -3.100 20.754 15.772 1.00 11.24 C ATOM 2200 C HIS A 131 -3.846 21.747 14.870 1.00 5.00 C ATOM 2201 O HIS A 131 -3.480 22.921 14.794 1.00 23.34 O ATOM 2202 CB HIS A 131 -2.938 21.357 17.174 1.00 10.25 C ATOM 2203 CG HIS A 131 -2.173 20.489 18.130 1.00 11.32 C ATOM 2204 ND1 HIS A 131 -2.706 19.364 18.721 1.00 54.23 N ATOM 2205 CD2 HIS A 131 -0.904 20.588 18.600 1.00 62.12 C ATOM 2206 CE1 HIS A 131 -1.806 18.814 19.510 1.00 64.12 C ATOM 2207 NE2 HIS A 131 -0.708 19.535 19.454 1.00 53.04 N ATOM 0 H HIS A 131 -1.007 20.895 15.638 1.00 31.54 H new ATOM 0 HA HIS A 131 -3.677 19.832 15.851 1.00 11.24 H new ATOM 0 HB2 HIS A 131 -2.431 22.318 17.088 1.00 10.25 H new ATOM 0 HB3 HIS A 131 -3.926 21.553 17.590 1.00 10.25 H new ATOM 0 HD2 HIS A 131 -0.184 21.353 18.348 1.00 62.12 H new ATOM 0 HE1 HIS A 131 -1.946 17.922 20.102 1.00 64.12 H new ATOM 0 HE2 HIS A 131 0.153 19.341 19.965 1.00 53.04 H new ATOM 2216 N HIS A 132 -4.880 21.272 14.184 1.00 14.22 N ATOM 2217 CA HIS A 132 -5.657 22.113 13.263 1.00 75.43 C ATOM 2218 C HIS A 132 -6.252 23.337 13.980 1.00 42.34 C ATOM 2219 O HIS A 132 -6.275 23.405 15.211 1.00 64.43 O ATOM 2220 CB HIS A 132 -6.785 21.292 12.625 1.00 3.44 C ATOM 2221 CG HIS A 132 -7.876 20.927 13.588 1.00 25.11 C ATOM 2222 ND1 HIS A 132 -9.054 21.638 13.700 1.00 64.12 N ATOM 2223 CD2 HIS A 132 -7.960 19.931 14.502 1.00 71.45 C ATOM 2224 CE1 HIS A 132 -9.805 21.100 14.638 1.00 1.11 C ATOM 2225 NE2 HIS A 132 -9.168 20.065 15.138 1.00 51.41 N ATOM 0 H HIS A 132 -5.205 20.307 14.245 1.00 14.22 H new ATOM 0 HA HIS A 132 -4.978 22.470 12.488 1.00 75.43 H new ATOM 0 HB2 HIS A 132 -7.215 21.859 11.799 1.00 3.44 H new ATOM 0 HB3 HIS A 132 -6.365 20.380 12.201 1.00 3.44 H new ATOM 0 HD1 HIS A 132 -9.304 22.454 13.142 1.00 64.12 H new ATOM 0 HD2 HIS A 132 -7.215 19.173 14.694 1.00 71.45 H new ATOM 0 HE1 HIS A 132 -10.780 21.450 14.945 1.00 1.11 H new ATOM 2234 N HIS A 133 -6.738 24.298 13.208 1.00 41.43 N ATOM 2235 CA HIS A 133 -7.382 25.489 13.770 1.00 45.11 C ATOM 2236 C HIS A 133 -8.889 25.254 13.984 1.00 73.22 C ATOM 2237 O HIS A 133 -9.504 24.422 13.310 1.00 23.21 O ATOM 2238 CB HIS A 133 -7.153 26.688 12.840 1.00 22.34 C ATOM 2239 CG HIS A 133 -7.717 27.979 13.355 1.00 42.40 C ATOM 2240 ND1 HIS A 133 -8.974 28.439 13.027 1.00 53.02 N ATOM 2241 CD2 HIS A 133 -7.180 28.918 14.169 1.00 44.32 C ATOM 2242 CE1 HIS A 133 -9.183 29.600 13.611 1.00 72.42 C ATOM 2243 NE2 HIS A 133 -8.113 29.917 14.310 1.00 4.03 N ATOM 0 H HIS A 133 -6.701 24.281 12.189 1.00 41.43 H new ATOM 0 HA HIS A 133 -6.936 25.699 14.742 1.00 45.11 H new ATOM 0 HB2 HIS A 133 -6.082 26.810 12.680 1.00 22.34 H new ATOM 0 HB3 HIS A 133 -7.598 26.471 11.869 1.00 22.34 H new ATOM 0 HD2 HIS A 133 -6.201 28.888 14.623 1.00 44.32 H new ATOM 0 HE1 HIS A 133 -10.082 30.193 13.530 1.00 72.42 H new ATOM 0 HE2 HIS A 133 -7.996 30.765 14.865 1.00 4.03 H new ATOM 2252 N HIS A 134 -9.478 25.982 14.931 1.00 13.12 N ATOM 2253 CA HIS A 134 -10.921 25.895 15.194 1.00 52.24 C ATOM 2254 C HIS A 134 -11.716 26.835 14.258 1.00 75.03 C ATOM 2255 O HIS A 134 -11.938 28.011 14.629 1.00 37.99 O ATOM 2256 CB HIS A 134 -11.206 26.228 16.668 1.00 71.53 C ATOM 2257 CG HIS A 134 -12.653 26.114 17.046 1.00 23.12 C ATOM 2258 ND1 HIS A 134 -13.589 27.079 16.750 1.00 54.15 N ATOM 2259 CD2 HIS A 134 -13.324 25.135 17.698 1.00 54.40 C ATOM 2260 CE1 HIS A 134 -14.767 26.703 17.201 1.00 44.03 C ATOM 2261 NE2 HIS A 134 -14.635 25.528 17.779 1.00 73.34 N ATOM 2262 OXT HIS A 134 -12.097 26.395 13.149 1.00 37.99 O ATOM 0 H HIS A 134 -8.981 26.640 15.531 1.00 13.12 H new ATOM 0 HA HIS A 134 -11.247 24.875 14.993 1.00 52.24 H new ATOM 0 HB2 HIS A 134 -10.621 25.561 17.301 1.00 71.53 H new ATOM 0 HB3 HIS A 134 -10.865 27.243 16.874 1.00 71.53 H new ATOM 0 HD1 HIS A 134 -13.399 27.951 16.257 1.00 54.15 H new ATOM 0 HD2 HIS A 134 -12.905 24.217 18.082 1.00 54.40 H new ATOM 0 HE1 HIS A 134 -15.686 27.264 17.112 1.00 44.03 H new TER 2271 HIS A 134