USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 592 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 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.121 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.46! C(o=-6.5!,f=-4!) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.737 K(o=-0.74,f=-0.086) USER MOD Single : A 50 CYS SG : rot 66:sc= -3.92! USER MOD Single : A 51 MET CE :methyl -171:sc= -0.0142 (180deg=-0.14) USER MOD Single : A 53 THR OG1 : rot 104:sc= 1.07 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -47:sc= 0.58 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -28:sc= -0.282 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 69 GLN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.97!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.16! C(o=-1.2!,f=-5.1!) USER MOD Single : A 77 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.0017) USER MOD Single : A 87 MET CE :methyl 153:sc= -0.146 (180deg=-0.932) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -11.843 -1.795 -25.696 1.00 0.00 N ATOM 2 CA ASP A 16 -11.747 -2.039 -24.236 1.00 0.00 C ATOM 3 C ASP A 16 -12.780 -1.213 -23.480 1.00 0.00 C ATOM 4 O ASP A 16 -12.504 -0.109 -23.054 1.00 0.00 O ATOM 5 CB ASP A 16 -10.343 -1.624 -23.768 1.00 0.00 C ATOM 6 CG ASP A 16 -10.149 -2.050 -22.311 1.00 0.00 C ATOM 7 OD1 ASP A 16 -11.161 -2.151 -21.637 1.00 0.00 O ATOM 8 OD2 ASP A 16 -9.000 -2.249 -21.954 1.00 0.00 O ATOM 0 HA ASP A 16 -11.931 -3.095 -24.038 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.585 -2.088 -24.399 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.220 -0.545 -23.863 1.00 0.00 H new ATOM 13 N ARG A 17 -13.955 -1.761 -23.328 1.00 0.00 N ATOM 14 CA ARG A 17 -15.014 -1.020 -22.603 1.00 0.00 C ATOM 15 C ARG A 17 -14.622 -0.809 -21.146 1.00 0.00 C ATOM 16 O ARG A 17 -13.481 -1.002 -20.773 1.00 0.00 O ATOM 17 CB ARG A 17 -16.308 -1.851 -22.653 1.00 0.00 C ATOM 18 CG ARG A 17 -17.296 -1.188 -23.616 1.00 0.00 C ATOM 19 CD ARG A 17 -18.578 -2.022 -23.672 1.00 0.00 C ATOM 20 NE ARG A 17 -19.456 -1.638 -22.530 1.00 0.00 N ATOM 21 CZ ARG A 17 -20.695 -2.050 -22.506 1.00 0.00 C ATOM 22 NH1 ARG A 17 -21.094 -2.903 -23.411 1.00 0.00 N ATOM 23 NH2 ARG A 17 -21.494 -1.594 -21.582 1.00 0.00 N ATOM 0 H ARG A 17 -14.222 -2.683 -23.673 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.155 -0.046 -23.072 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.089 -2.867 -22.981 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.746 -1.924 -21.657 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.521 -0.174 -23.285 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.856 -1.108 -24.610 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.095 -1.855 -24.617 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.339 -3.084 -23.623 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.092 -1.058 -21.774 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.441 -3.236 -24.121 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -22.058 -3.236 -23.408 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.148 -0.926 -20.893 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.465 -1.905 -21.548 1.00 0.00 H new ATOM 37 N SER A 18 -15.573 -0.415 -20.345 1.00 0.00 N ATOM 38 CA SER A 18 -15.271 -0.188 -18.912 1.00 0.00 C ATOM 39 C SER A 18 -15.523 -1.453 -18.100 1.00 0.00 C ATOM 40 O SER A 18 -16.530 -1.575 -17.431 1.00 0.00 O ATOM 41 CB SER A 18 -16.192 0.927 -18.393 1.00 0.00 C ATOM 42 OG SER A 18 -17.399 0.746 -19.120 1.00 0.00 O ATOM 0 H SER A 18 -16.539 -0.242 -20.622 1.00 0.00 H new ATOM 0 HA SER A 18 -14.222 0.091 -18.808 1.00 0.00 H new ATOM 0 HB2 SER A 18 -16.357 0.840 -17.319 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.763 1.913 -18.571 1.00 0.00 H new ATOM 0 HG SER A 18 -18.051 1.424 -18.845 1.00 0.00 H new ATOM 48 N LEU A 19 -14.599 -2.371 -18.172 1.00 0.00 N ATOM 49 CA LEU A 19 -14.764 -3.636 -17.414 1.00 0.00 C ATOM 50 C LEU A 19 -14.743 -3.380 -15.910 1.00 0.00 C ATOM 51 O LEU A 19 -15.424 -4.047 -15.157 1.00 0.00 O ATOM 52 CB LEU A 19 -13.594 -4.565 -17.773 1.00 0.00 C ATOM 53 CG LEU A 19 -13.826 -5.938 -17.135 1.00 0.00 C ATOM 54 CD1 LEU A 19 -15.193 -6.475 -17.567 1.00 0.00 C ATOM 55 CD2 LEU A 19 -12.736 -6.902 -17.606 1.00 0.00 C ATOM 0 H LEU A 19 -13.742 -2.298 -18.721 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.722 -4.085 -17.675 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.511 -4.663 -18.855 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.655 -4.140 -17.419 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.795 -5.847 -16.049 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.360 -7.452 -17.114 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.973 -5.787 -17.243 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.220 -6.569 -18.653 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.896 -7.881 -17.155 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.774 -6.992 -18.692 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.759 -6.521 -17.308 1.00 0.00 H new ATOM 67 N ARG A 20 -13.963 -2.418 -15.500 1.00 0.00 N ATOM 68 CA ARG A 20 -13.888 -2.109 -14.051 1.00 0.00 C ATOM 69 C ARG A 20 -13.029 -0.868 -13.802 1.00 0.00 C ATOM 70 O ARG A 20 -11.867 -0.969 -13.459 1.00 0.00 O ATOM 71 CB ARG A 20 -13.235 -3.304 -13.338 1.00 0.00 C ATOM 72 CG ARG A 20 -12.107 -3.855 -14.212 1.00 0.00 C ATOM 73 CD ARG A 20 -11.520 -5.099 -13.545 1.00 0.00 C ATOM 74 NE ARG A 20 -12.359 -5.457 -12.366 1.00 0.00 N ATOM 75 CZ ARG A 20 -12.573 -6.713 -12.091 1.00 0.00 C ATOM 76 NH1 ARG A 20 -11.865 -7.623 -12.703 1.00 0.00 N ATOM 77 NH2 ARG A 20 -13.490 -7.019 -11.213 1.00 0.00 N ATOM 0 H ARG A 20 -13.380 -1.838 -16.103 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.894 -1.922 -13.675 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.843 -2.995 -12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.977 -4.080 -13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.486 -4.103 -15.203 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.333 -3.100 -14.347 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.491 -5.928 -14.252 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.493 -4.910 -13.233 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.762 -4.726 -11.780 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.158 -7.346 -13.384 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.019 -8.611 -12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.025 -6.281 -10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.672 -7.996 -10.985 1.00 0.00 H new ATOM 91 N PRO A 21 -13.629 0.289 -13.984 1.00 0.00 N ATOM 92 CA PRO A 21 -12.930 1.555 -13.784 1.00 0.00 C ATOM 93 C PRO A 21 -12.546 1.756 -12.321 1.00 0.00 C ATOM 94 O PRO A 21 -11.406 2.041 -12.010 1.00 0.00 O ATOM 95 CB PRO A 21 -13.943 2.638 -14.208 1.00 0.00 C ATOM 96 CG PRO A 21 -15.258 1.907 -14.625 1.00 0.00 C ATOM 97 CD PRO A 21 -15.030 0.402 -14.408 1.00 0.00 C ATOM 0 HA PRO A 21 -12.004 1.590 -14.357 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -14.132 3.330 -13.387 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.551 3.227 -15.037 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.100 2.259 -14.028 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.499 2.113 -15.668 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -15.705 0.005 -13.650 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.212 -0.161 -15.323 1.00 0.00 H new ATOM 105 N GLU A 22 -13.504 1.608 -11.447 1.00 0.00 N ATOM 106 CA GLU A 22 -13.207 1.788 -10.004 1.00 0.00 C ATOM 107 C GLU A 22 -11.974 0.991 -9.597 1.00 0.00 C ATOM 108 O GLU A 22 -11.264 1.365 -8.686 1.00 0.00 O ATOM 109 CB GLU A 22 -14.413 1.288 -9.190 1.00 0.00 C ATOM 110 CG GLU A 22 -14.602 -0.212 -9.435 1.00 0.00 C ATOM 111 CD GLU A 22 -15.748 -0.727 -8.559 1.00 0.00 C ATOM 112 OE1 GLU A 22 -16.504 0.117 -8.109 1.00 0.00 O ATOM 113 OE2 GLU A 22 -15.801 -1.934 -8.389 1.00 0.00 O ATOM 0 H GLU A 22 -14.471 1.372 -11.670 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.017 2.844 -9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.254 1.478 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.312 1.832 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.822 -0.396 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.682 -0.749 -9.203 1.00 0.00 H new ATOM 120 N GLU A 23 -11.742 -0.095 -10.279 1.00 0.00 N ATOM 121 CA GLU A 23 -10.562 -0.921 -9.940 1.00 0.00 C ATOM 122 C GLU A 23 -9.278 -0.195 -10.309 1.00 0.00 C ATOM 123 O GLU A 23 -8.429 0.031 -9.468 1.00 0.00 O ATOM 124 CB GLU A 23 -10.643 -2.233 -10.736 1.00 0.00 C ATOM 125 CG GLU A 23 -9.521 -3.168 -10.280 1.00 0.00 C ATOM 126 CD GLU A 23 -9.613 -3.372 -8.766 1.00 0.00 C ATOM 127 OE1 GLU A 23 -10.340 -4.276 -8.385 1.00 0.00 O ATOM 128 OE2 GLU A 23 -8.953 -2.613 -8.076 1.00 0.00 O ATOM 0 H GLU A 23 -12.315 -0.440 -11.049 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.556 -1.118 -8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.613 -2.707 -10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.553 -2.031 -11.803 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.601 -4.127 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.551 -2.746 -10.543 1.00 0.00 H new ATOM 135 N ILE A 24 -9.151 0.161 -11.559 1.00 0.00 N ATOM 136 CA ILE A 24 -7.925 0.871 -11.977 1.00 0.00 C ATOM 137 C ILE A 24 -7.725 2.115 -11.124 1.00 0.00 C ATOM 138 O ILE A 24 -6.609 2.495 -10.831 1.00 0.00 O ATOM 139 CB ILE A 24 -8.069 1.280 -13.446 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.201 0.031 -14.310 1.00 0.00 C ATOM 141 CG2 ILE A 24 -6.799 2.042 -13.876 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.797 0.363 -15.748 1.00 0.00 C ATOM 0 H ILE A 24 -9.837 -0.009 -12.294 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.064 0.215 -11.851 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.951 1.909 -13.567 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.568 -0.765 -13.917 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.227 -0.336 -14.284 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.889 2.339 -14.921 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.680 2.930 -13.255 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.929 1.396 -13.756 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.891 -0.529 -16.367 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.448 1.145 -16.138 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.764 0.709 -15.765 1.00 0.00 H new ATOM 154 N GLU A 25 -8.812 2.727 -10.730 1.00 0.00 N ATOM 155 CA GLU A 25 -8.684 3.942 -9.897 1.00 0.00 C ATOM 156 C GLU A 25 -7.901 3.623 -8.636 1.00 0.00 C ATOM 157 O GLU A 25 -6.953 4.307 -8.303 1.00 0.00 O ATOM 158 CB GLU A 25 -10.087 4.424 -9.505 1.00 0.00 C ATOM 159 CG GLU A 25 -10.805 4.940 -10.753 1.00 0.00 C ATOM 160 CD GLU A 25 -10.280 6.334 -11.098 1.00 0.00 C ATOM 161 OE1 GLU A 25 -9.367 6.755 -10.405 1.00 0.00 O ATOM 162 OE2 GLU A 25 -10.820 6.900 -12.035 1.00 0.00 O ATOM 0 H GLU A 25 -9.765 2.438 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.161 4.715 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.653 3.608 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.018 5.214 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.640 4.260 -11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.880 4.977 -10.579 1.00 0.00 H new ATOM 169 N GLU A 26 -8.310 2.585 -7.949 1.00 0.00 N ATOM 170 CA GLU A 26 -7.590 2.215 -6.708 1.00 0.00 C ATOM 171 C GLU A 26 -6.122 2.002 -7.022 1.00 0.00 C ATOM 172 O GLU A 26 -5.251 2.324 -6.236 1.00 0.00 O ATOM 173 CB GLU A 26 -8.183 0.905 -6.169 1.00 0.00 C ATOM 174 CG GLU A 26 -9.317 1.228 -5.195 1.00 0.00 C ATOM 175 CD GLU A 26 -10.343 2.125 -5.891 1.00 0.00 C ATOM 176 OE1 GLU A 26 -9.981 3.260 -6.152 1.00 0.00 O ATOM 177 OE2 GLU A 26 -11.431 1.624 -6.124 1.00 0.00 O ATOM 0 H GLU A 26 -9.101 1.990 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.693 3.009 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.557 0.296 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.411 0.322 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.793 0.308 -4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.921 1.727 -4.311 1.00 0.00 H new ATOM 184 N LEU A 27 -5.873 1.454 -8.172 1.00 0.00 N ATOM 185 CA LEU A 27 -4.478 1.210 -8.569 1.00 0.00 C ATOM 186 C LEU A 27 -3.735 2.530 -8.629 1.00 0.00 C ATOM 187 O LEU A 27 -2.717 2.711 -7.991 1.00 0.00 O ATOM 188 CB LEU A 27 -4.492 0.585 -9.966 1.00 0.00 C ATOM 189 CG LEU A 27 -3.498 -0.567 -10.017 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.541 -1.184 -11.409 1.00 0.00 C ATOM 191 CD2 LEU A 27 -2.090 -0.033 -9.747 1.00 0.00 C ATOM 0 H LEU A 27 -6.579 1.167 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.987 0.551 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.493 0.226 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.235 1.335 -10.714 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.753 -1.315 -9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.834 -2.012 -11.462 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.546 -1.552 -11.613 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.274 -0.430 -12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.376 -0.856 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.830 0.707 -10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.060 0.431 -8.761 1.00 0.00 H new ATOM 203 N ARG A 28 -4.266 3.432 -9.406 1.00 0.00 N ATOM 204 CA ARG A 28 -3.624 4.758 -9.536 1.00 0.00 C ATOM 205 C ARG A 28 -3.223 5.292 -8.172 1.00 0.00 C ATOM 206 O ARG A 28 -2.114 5.752 -7.986 1.00 0.00 O ATOM 207 CB ARG A 28 -4.635 5.726 -10.169 1.00 0.00 C ATOM 208 CG ARG A 28 -3.881 6.913 -10.772 1.00 0.00 C ATOM 209 CD ARG A 28 -4.861 7.783 -11.560 1.00 0.00 C ATOM 210 NE ARG A 28 -5.921 8.277 -10.635 1.00 0.00 N ATOM 211 CZ ARG A 28 -5.750 9.411 -10.011 1.00 0.00 C ATOM 212 NH1 ARG A 28 -5.263 10.426 -10.670 1.00 0.00 N ATOM 213 NH2 ARG A 28 -6.072 9.492 -8.749 1.00 0.00 N ATOM 0 H ARG A 28 -5.116 3.303 -9.954 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.731 4.666 -10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.212 5.216 -10.940 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.344 6.073 -9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.410 7.499 -9.983 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.084 6.559 -11.426 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.337 8.623 -12.015 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.307 7.208 -12.371 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.772 7.734 -10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.023 10.326 -11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.123 11.320 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.451 8.677 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.945 10.370 -8.246 1.00 0.00 H new ATOM 227 N GLU A 29 -4.130 5.220 -7.233 1.00 0.00 N ATOM 228 CA GLU A 29 -3.797 5.723 -5.880 1.00 0.00 C ATOM 229 C GLU A 29 -2.510 5.081 -5.392 1.00 0.00 C ATOM 230 O GLU A 29 -1.684 5.725 -4.779 1.00 0.00 O ATOM 231 CB GLU A 29 -4.941 5.363 -4.920 1.00 0.00 C ATOM 232 CG GLU A 29 -6.126 6.299 -5.177 1.00 0.00 C ATOM 233 CD GLU A 29 -7.232 6.010 -4.161 1.00 0.00 C ATOM 234 OE1 GLU A 29 -7.156 6.599 -3.096 1.00 0.00 O ATOM 235 OE2 GLU A 29 -8.092 5.216 -4.508 1.00 0.00 O ATOM 0 H GLU A 29 -5.070 4.840 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.665 6.804 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.243 4.326 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.607 5.454 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.807 7.338 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.502 6.158 -6.190 1.00 0.00 H new ATOM 242 N ALA A 30 -2.361 3.814 -5.665 1.00 0.00 N ATOM 243 CA ALA A 30 -1.126 3.122 -5.223 1.00 0.00 C ATOM 244 C ALA A 30 0.094 3.777 -5.865 1.00 0.00 C ATOM 245 O ALA A 30 0.976 4.259 -5.183 1.00 0.00 O ATOM 246 CB ALA A 30 -1.198 1.655 -5.673 1.00 0.00 C ATOM 0 H ALA A 30 -3.034 3.237 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.040 3.186 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.296 1.132 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.070 1.179 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.279 1.611 -6.759 1.00 0.00 H new ATOM 252 N PHE A 31 0.117 3.787 -7.174 1.00 0.00 N ATOM 253 CA PHE A 31 1.266 4.407 -7.883 1.00 0.00 C ATOM 254 C PHE A 31 1.560 5.771 -7.302 1.00 0.00 C ATOM 255 O PHE A 31 2.688 6.216 -7.282 1.00 0.00 O ATOM 256 CB PHE A 31 0.881 4.591 -9.359 1.00 0.00 C ATOM 257 CG PHE A 31 2.128 4.940 -10.174 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.999 3.948 -10.569 1.00 0.00 C ATOM 259 CD2 PHE A 31 2.388 6.249 -10.545 1.00 0.00 C ATOM 260 CE1 PHE A 31 4.110 4.248 -11.324 1.00 0.00 C ATOM 261 CE2 PHE A 31 3.506 6.550 -11.302 1.00 0.00 C ATOM 262 CZ PHE A 31 4.365 5.547 -11.690 1.00 0.00 C ATOM 0 H PHE A 31 -0.607 3.394 -7.775 1.00 0.00 H new ATOM 0 HA PHE A 31 2.143 3.768 -7.778 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.427 3.678 -9.743 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.138 5.382 -9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.808 2.924 -10.283 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.715 7.038 -10.242 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.783 3.460 -11.629 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.705 7.572 -11.589 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.238 5.781 -12.281 1.00 0.00 H new ATOM 272 N ARG A 32 0.532 6.404 -6.832 1.00 0.00 N ATOM 273 CA ARG A 32 0.710 7.758 -6.237 1.00 0.00 C ATOM 274 C ARG A 32 1.277 7.671 -4.828 1.00 0.00 C ATOM 275 O ARG A 32 2.303 8.253 -4.537 1.00 0.00 O ATOM 276 CB ARG A 32 -0.656 8.452 -6.177 1.00 0.00 C ATOM 277 CG ARG A 32 -0.926 9.141 -7.514 1.00 0.00 C ATOM 278 CD ARG A 32 -2.265 9.877 -7.441 1.00 0.00 C ATOM 279 NE ARG A 32 -2.816 10.011 -8.818 1.00 0.00 N ATOM 280 CZ ARG A 32 -2.279 10.868 -9.643 1.00 0.00 C ATOM 281 NH1 ARG A 32 -1.850 12.007 -9.175 1.00 0.00 N ATOM 282 NH2 ARG A 32 -2.186 10.556 -10.906 1.00 0.00 N ATOM 0 H ARG A 32 -0.424 6.048 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 32 1.408 8.320 -6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.439 7.724 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.672 9.182 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.124 9.843 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.945 8.405 -8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.962 9.329 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.131 10.861 -6.991 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.606 9.438 -9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.937 12.215 -8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.427 12.690 -9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.530 9.654 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.769 11.214 -11.565 1.00 0.00 H new ATOM 296 N GLU A 33 0.595 6.959 -3.971 1.00 0.00 N ATOM 297 CA GLU A 33 1.093 6.833 -2.581 1.00 0.00 C ATOM 298 C GLU A 33 2.583 6.548 -2.592 1.00 0.00 C ATOM 299 O GLU A 33 3.286 6.846 -1.646 1.00 0.00 O ATOM 300 CB GLU A 33 0.364 5.661 -1.903 1.00 0.00 C ATOM 301 CG GLU A 33 -1.129 5.985 -1.811 1.00 0.00 C ATOM 302 CD GLU A 33 -1.423 6.652 -0.465 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.294 7.864 -0.422 1.00 0.00 O ATOM 304 OE2 GLU A 33 -1.759 5.909 0.443 1.00 0.00 O ATOM 0 H GLU A 33 -0.275 6.466 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 33 0.908 7.761 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.515 4.744 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.773 5.489 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.420 6.646 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.717 5.073 -1.914 1.00 0.00 H new ATOM 311 N PHE A 34 3.035 5.973 -3.678 1.00 0.00 N ATOM 312 CA PHE A 34 4.472 5.646 -3.803 1.00 0.00 C ATOM 313 C PHE A 34 5.165 6.641 -4.731 1.00 0.00 C ATOM 314 O PHE A 34 6.377 6.710 -4.779 1.00 0.00 O ATOM 315 CB PHE A 34 4.594 4.234 -4.399 1.00 0.00 C ATOM 316 CG PHE A 34 4.366 3.200 -3.291 1.00 0.00 C ATOM 317 CD1 PHE A 34 5.417 2.782 -2.492 1.00 0.00 C ATOM 318 CD2 PHE A 34 3.103 2.675 -3.064 1.00 0.00 C ATOM 319 CE1 PHE A 34 5.209 1.860 -1.487 1.00 0.00 C ATOM 320 CE2 PHE A 34 2.899 1.751 -2.059 1.00 0.00 C ATOM 321 CZ PHE A 34 3.952 1.344 -1.272 1.00 0.00 C ATOM 0 H PHE A 34 2.461 5.718 -4.482 1.00 0.00 H new ATOM 0 HA PHE A 34 4.944 5.695 -2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.863 4.098 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.580 4.097 -4.844 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.407 3.181 -2.657 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.273 2.991 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.035 1.543 -0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.912 1.347 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.792 0.620 -0.486 1.00 0.00 H new ATOM 331 N ASP A 35 4.373 7.399 -5.453 1.00 0.00 N ATOM 332 CA ASP A 35 4.956 8.401 -6.385 1.00 0.00 C ATOM 333 C ASP A 35 4.096 9.662 -6.411 1.00 0.00 C ATOM 334 O ASP A 35 3.503 9.996 -7.419 1.00 0.00 O ATOM 335 CB ASP A 35 4.999 7.792 -7.799 1.00 0.00 C ATOM 336 CG ASP A 35 6.034 8.544 -8.641 1.00 0.00 C ATOM 337 OD1 ASP A 35 6.678 9.406 -8.064 1.00 0.00 O ATOM 338 OD2 ASP A 35 6.123 8.214 -9.813 1.00 0.00 O ATOM 0 H ASP A 35 3.354 7.363 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 35 5.960 8.664 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.256 6.734 -7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.016 7.857 -8.266 1.00 0.00 H new ATOM 343 N LYS A 36 4.057 10.338 -5.292 1.00 0.00 N ATOM 344 CA LYS A 36 3.248 11.587 -5.197 1.00 0.00 C ATOM 345 C LYS A 36 4.142 12.810 -5.109 1.00 0.00 C ATOM 346 O LYS A 36 3.667 13.918 -4.955 1.00 0.00 O ATOM 347 CB LYS A 36 2.402 11.513 -3.915 1.00 0.00 C ATOM 348 CG LYS A 36 3.329 11.578 -2.697 1.00 0.00 C ATOM 349 CD LYS A 36 3.143 12.923 -1.991 1.00 0.00 C ATOM 350 CE LYS A 36 3.809 12.861 -0.613 1.00 0.00 C ATOM 351 NZ LYS A 36 5.292 12.922 -0.744 1.00 0.00 N ATOM 0 H LYS A 36 4.552 10.077 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 36 2.623 11.673 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.688 12.336 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.824 10.589 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.106 10.761 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.367 11.458 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.583 13.724 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.082 13.149 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.459 13.689 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.521 11.941 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.726 12.879 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.623 12.118 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.563 13.812 -1.209 1.00 0.00 H new ATOM 365 N ASP A 37 5.419 12.592 -5.211 1.00 0.00 N ATOM 366 CA ASP A 37 6.357 13.728 -5.135 1.00 0.00 C ATOM 367 C ASP A 37 6.668 14.257 -6.521 1.00 0.00 C ATOM 368 O ASP A 37 6.024 15.171 -6.998 1.00 0.00 O ATOM 369 CB ASP A 37 7.658 13.230 -4.483 1.00 0.00 C ATOM 370 CG ASP A 37 8.835 14.077 -4.973 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.914 15.208 -4.519 1.00 0.00 O ATOM 372 OD2 ASP A 37 9.586 13.547 -5.776 1.00 0.00 O ATOM 0 H ASP A 37 5.849 11.677 -5.343 1.00 0.00 H new ATOM 0 HA ASP A 37 5.909 14.532 -4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.579 13.292 -3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.823 12.182 -4.731 1.00 0.00 H new ATOM 377 N LYS A 38 7.646 13.664 -7.152 1.00 0.00 N ATOM 378 CA LYS A 38 8.015 14.121 -8.509 1.00 0.00 C ATOM 379 C LYS A 38 9.058 13.198 -9.148 1.00 0.00 C ATOM 380 O LYS A 38 10.232 13.516 -9.177 1.00 0.00 O ATOM 381 CB LYS A 38 8.618 15.532 -8.396 1.00 0.00 C ATOM 382 CG LYS A 38 8.800 16.108 -9.798 1.00 0.00 C ATOM 383 CD LYS A 38 8.045 17.440 -9.904 1.00 0.00 C ATOM 384 CE LYS A 38 8.791 18.509 -9.101 1.00 0.00 C ATOM 385 NZ LYS A 38 7.965 19.747 -8.986 1.00 0.00 N ATOM 0 H LYS A 38 8.198 12.889 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 38 7.121 14.115 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.964 16.175 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.576 15.492 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.859 16.260 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.427 15.405 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.964 17.743 -10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.029 17.327 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.026 18.128 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.739 18.741 -9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.485 20.462 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.762 20.118 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.071 19.524 -8.503 1.00 0.00 H new ATOM 399 N ASP A 39 8.607 12.070 -9.644 1.00 0.00 N ATOM 400 CA ASP A 39 9.539 11.118 -10.282 1.00 0.00 C ATOM 401 C ASP A 39 8.911 10.575 -11.547 1.00 0.00 C ATOM 402 O ASP A 39 9.585 10.044 -12.404 1.00 0.00 O ATOM 403 CB ASP A 39 9.795 9.952 -9.314 1.00 0.00 C ATOM 404 CG ASP A 39 10.690 10.430 -8.170 1.00 0.00 C ATOM 405 OD1 ASP A 39 10.397 11.502 -7.665 1.00 0.00 O ATOM 406 OD2 ASP A 39 11.616 9.697 -7.862 1.00 0.00 O ATOM 0 H ASP A 39 7.630 11.777 -9.629 1.00 0.00 H new ATOM 0 HA ASP A 39 10.475 11.622 -10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.850 9.578 -8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.270 9.125 -9.841 1.00 0.00 H new ATOM 411 N GLY A 40 7.613 10.715 -11.636 1.00 0.00 N ATOM 412 CA GLY A 40 6.902 10.213 -12.838 1.00 0.00 C ATOM 413 C GLY A 40 7.123 8.713 -12.999 1.00 0.00 C ATOM 414 O GLY A 40 6.493 8.075 -13.817 1.00 0.00 O ATOM 0 H GLY A 40 7.022 11.153 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.836 10.423 -12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.259 10.737 -13.725 1.00 0.00 H new ATOM 418 N TYR A 41 8.012 8.175 -12.206 1.00 0.00 N ATOM 419 CA TYR A 41 8.286 6.714 -12.302 1.00 0.00 C ATOM 420 C TYR A 41 8.744 6.157 -10.967 1.00 0.00 C ATOM 421 O TYR A 41 9.200 6.892 -10.114 1.00 0.00 O ATOM 422 CB TYR A 41 9.412 6.491 -13.329 1.00 0.00 C ATOM 423 CG TYR A 41 9.160 7.358 -14.563 1.00 0.00 C ATOM 424 CD1 TYR A 41 8.189 7.007 -15.482 1.00 0.00 C ATOM 425 CD2 TYR A 41 9.902 8.499 -14.778 1.00 0.00 C ATOM 426 CE1 TYR A 41 7.966 7.790 -16.596 1.00 0.00 C ATOM 427 CE2 TYR A 41 9.679 9.280 -15.892 1.00 0.00 C ATOM 428 CZ TYR A 41 8.709 8.931 -16.810 1.00 0.00 C ATOM 429 OH TYR A 41 8.491 9.709 -17.928 1.00 0.00 O ATOM 0 H TYR A 41 8.554 8.679 -11.504 1.00 0.00 H new ATOM 0 HA TYR A 41 7.369 6.207 -12.602 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.376 6.742 -12.887 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.456 5.440 -13.613 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.601 6.114 -15.327 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.664 8.784 -14.068 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.203 7.507 -17.306 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.268 10.172 -16.048 1.00 0.00 H new ATOM 0 HH TYR A 41 9.103 10.475 -17.918 1.00 0.00 H new ATOM 439 N ILE A 42 8.614 4.856 -10.810 1.00 0.00 N ATOM 440 CA ILE A 42 9.037 4.218 -9.534 1.00 0.00 C ATOM 441 C ILE A 42 10.081 3.147 -9.791 1.00 0.00 C ATOM 442 O ILE A 42 10.163 2.603 -10.872 1.00 0.00 O ATOM 443 CB ILE A 42 7.824 3.564 -8.879 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.804 3.210 -9.935 1.00 0.00 C ATOM 445 CG2 ILE A 42 7.187 4.563 -7.898 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.726 2.317 -9.314 1.00 0.00 C ATOM 0 H ILE A 42 8.235 4.219 -11.511 1.00 0.00 H new ATOM 0 HA ILE A 42 9.462 4.984 -8.885 1.00 0.00 H new ATOM 0 HB ILE A 42 8.139 2.662 -8.354 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.354 4.116 -10.341 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.286 2.694 -10.765 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.319 4.105 -7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.915 4.837 -7.134 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.876 5.456 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.987 2.058 -10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.185 1.406 -8.929 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.238 2.850 -8.498 1.00 0.00 H new ATOM 458 N ASN A 43 10.866 2.869 -8.789 1.00 0.00 N ATOM 459 CA ASN A 43 11.916 1.835 -8.947 1.00 0.00 C ATOM 460 C ASN A 43 11.428 0.504 -8.396 1.00 0.00 C ATOM 461 O ASN A 43 10.690 0.469 -7.432 1.00 0.00 O ATOM 462 CB ASN A 43 13.151 2.278 -8.150 1.00 0.00 C ATOM 463 CG ASN A 43 12.744 3.361 -7.148 1.00 0.00 C ATOM 464 OD1 ASN A 43 12.959 3.236 -5.960 1.00 0.00 O ATOM 465 ND2 ASN A 43 12.153 4.439 -7.587 1.00 0.00 N ATOM 0 H ASN A 43 10.824 3.313 -7.872 1.00 0.00 H new ATOM 0 HA ASN A 43 12.156 1.716 -10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.585 1.426 -7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.916 2.660 -8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.875 5.170 -6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.970 4.550 -8.584 1.00 0.00 H new ATOM 472 N CYS A 44 11.843 -0.567 -9.020 1.00 0.00 N ATOM 473 CA CYS A 44 11.409 -1.906 -8.542 1.00 0.00 C ATOM 474 C CYS A 44 11.471 -1.980 -7.019 1.00 0.00 C ATOM 475 O CYS A 44 10.864 -2.838 -6.412 1.00 0.00 O ATOM 476 CB CYS A 44 12.353 -2.963 -9.138 1.00 0.00 C ATOM 477 SG CYS A 44 14.114 -2.825 -8.746 1.00 0.00 S ATOM 0 H CYS A 44 12.459 -0.570 -9.833 1.00 0.00 H new ATOM 0 HA CYS A 44 10.381 -2.085 -8.856 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.011 -3.944 -8.808 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.247 -2.936 -10.222 1.00 0.00 H new ATOM 0 HG CYS A 44 14.764 -3.791 -9.323 1.00 0.00 H new ATOM 483 N ARG A 45 12.219 -1.090 -6.426 1.00 0.00 N ATOM 484 CA ARG A 45 12.320 -1.103 -4.951 1.00 0.00 C ATOM 485 C ARG A 45 10.980 -0.731 -4.346 1.00 0.00 C ATOM 486 O ARG A 45 10.480 -1.409 -3.472 1.00 0.00 O ATOM 487 CB ARG A 45 13.370 -0.066 -4.519 1.00 0.00 C ATOM 488 CG ARG A 45 14.737 -0.471 -5.074 1.00 0.00 C ATOM 489 CD ARG A 45 15.789 0.543 -4.614 1.00 0.00 C ATOM 490 NE ARG A 45 16.852 -0.173 -3.855 1.00 0.00 N ATOM 491 CZ ARG A 45 16.570 -0.696 -2.693 1.00 0.00 C ATOM 492 NH1 ARG A 45 16.028 0.057 -1.776 1.00 0.00 N ATOM 493 NH2 ARG A 45 16.835 -1.957 -2.489 1.00 0.00 N ATOM 0 H ARG A 45 12.757 -0.364 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 45 12.608 -2.098 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.094 0.923 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.410 -0.003 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.002 -1.470 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.704 -0.510 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.220 1.055 -5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.328 1.306 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 45 17.793 -0.254 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.831 1.038 -1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.801 -0.336 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.255 -2.516 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.622 -2.384 -1.587 1.00 0.00 H new ATOM 507 N ASP A 46 10.414 0.346 -4.825 1.00 0.00 N ATOM 508 CA ASP A 46 9.106 0.772 -4.291 1.00 0.00 C ATOM 509 C ASP A 46 8.068 -0.291 -4.594 1.00 0.00 C ATOM 510 O ASP A 46 7.235 -0.608 -3.774 1.00 0.00 O ATOM 511 CB ASP A 46 8.700 2.081 -4.981 1.00 0.00 C ATOM 512 CG ASP A 46 9.860 3.074 -4.908 1.00 0.00 C ATOM 513 OD1 ASP A 46 10.401 3.195 -3.821 1.00 0.00 O ATOM 514 OD2 ASP A 46 10.141 3.656 -5.942 1.00 0.00 O ATOM 0 H ASP A 46 10.804 0.939 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 46 9.173 0.918 -3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.435 1.890 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.817 2.500 -4.499 1.00 0.00 H new ATOM 519 N LEU A 47 8.135 -0.823 -5.783 1.00 0.00 N ATOM 520 CA LEU A 47 7.167 -1.869 -6.167 1.00 0.00 C ATOM 521 C LEU A 47 7.056 -2.898 -5.079 1.00 0.00 C ATOM 522 O LEU A 47 6.010 -3.083 -4.523 1.00 0.00 O ATOM 523 CB LEU A 47 7.680 -2.557 -7.420 1.00 0.00 C ATOM 524 CG LEU A 47 7.237 -1.770 -8.635 1.00 0.00 C ATOM 525 CD1 LEU A 47 5.752 -1.973 -8.849 1.00 0.00 C ATOM 526 CD2 LEU A 47 7.519 -0.281 -8.419 1.00 0.00 C ATOM 0 H LEU A 47 8.819 -0.575 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 47 6.191 -1.413 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.767 -2.626 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.298 -3.576 -7.472 1.00 0.00 H new ATOM 0 HG LEU A 47 7.787 -2.118 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.430 -1.407 -9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.549 -3.032 -9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.207 -1.626 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.198 0.281 -9.296 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.972 0.070 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.587 -0.132 -8.263 1.00 0.00 H new ATOM 538 N GLY A 48 8.144 -3.574 -4.820 1.00 0.00 N ATOM 539 CA GLY A 48 8.133 -4.617 -3.753 1.00 0.00 C ATOM 540 C GLY A 48 7.207 -4.184 -2.622 1.00 0.00 C ATOM 541 O GLY A 48 6.488 -4.984 -2.052 1.00 0.00 O ATOM 0 H GLY A 48 9.036 -3.450 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.799 -5.569 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.142 -4.771 -3.371 1.00 0.00 H new ATOM 545 N ASN A 49 7.231 -2.911 -2.339 1.00 0.00 N ATOM 546 CA ASN A 49 6.365 -2.394 -1.261 1.00 0.00 C ATOM 547 C ASN A 49 4.985 -2.050 -1.813 1.00 0.00 C ATOM 548 O ASN A 49 3.985 -2.264 -1.157 1.00 0.00 O ATOM 549 CB ASN A 49 7.003 -1.123 -0.672 1.00 0.00 C ATOM 550 CG ASN A 49 8.061 -1.517 0.357 1.00 0.00 C ATOM 551 OD1 ASN A 49 9.158 -0.996 0.366 1.00 0.00 O ATOM 552 ND2 ASN A 49 7.771 -2.430 1.241 1.00 0.00 N ATOM 0 H ASN A 49 7.811 -2.216 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 49 6.260 -3.157 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.455 -0.528 -1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.239 -0.502 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.464 -2.704 1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.851 -2.870 1.237 1.00 0.00 H new ATOM 559 N CYS A 50 4.946 -1.536 -3.025 1.00 0.00 N ATOM 560 CA CYS A 50 3.629 -1.184 -3.610 1.00 0.00 C ATOM 561 C CYS A 50 2.912 -2.448 -4.048 1.00 0.00 C ATOM 562 O CYS A 50 1.700 -2.534 -4.013 1.00 0.00 O ATOM 563 CB CYS A 50 3.858 -0.284 -4.835 1.00 0.00 C ATOM 564 SG CYS A 50 2.579 0.939 -5.222 1.00 0.00 S ATOM 0 H CYS A 50 5.757 -1.352 -3.616 1.00 0.00 H new ATOM 0 HA CYS A 50 3.023 -0.664 -2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.799 0.247 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.984 -0.927 -5.706 1.00 0.00 H new ATOM 0 HG CYS A 50 2.522 1.823 -4.270 1.00 0.00 H new ATOM 570 N MET A 51 3.688 -3.409 -4.454 1.00 0.00 N ATOM 571 CA MET A 51 3.108 -4.684 -4.901 1.00 0.00 C ATOM 572 C MET A 51 2.520 -5.432 -3.718 1.00 0.00 C ATOM 573 O MET A 51 1.418 -5.932 -3.785 1.00 0.00 O ATOM 574 CB MET A 51 4.236 -5.527 -5.520 1.00 0.00 C ATOM 575 CG MET A 51 4.719 -4.852 -6.811 1.00 0.00 C ATOM 576 SD MET A 51 3.757 -5.152 -8.317 1.00 0.00 S ATOM 577 CE MET A 51 4.285 -6.862 -8.591 1.00 0.00 C ATOM 0 H MET A 51 4.706 -3.358 -4.493 1.00 0.00 H new ATOM 0 HA MET A 51 2.317 -4.499 -5.628 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.062 -5.625 -4.815 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.878 -6.534 -5.734 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.748 -3.776 -6.638 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.744 -5.173 -6.996 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.933 -7.200 -9.566 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.373 -6.916 -8.559 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.867 -7.501 -7.813 1.00 0.00 H new ATOM 587 N ARG A 52 3.269 -5.500 -2.646 1.00 0.00 N ATOM 588 CA ARG A 52 2.755 -6.215 -1.453 1.00 0.00 C ATOM 589 C ARG A 52 1.653 -5.396 -0.797 1.00 0.00 C ATOM 590 O ARG A 52 0.881 -5.901 -0.008 1.00 0.00 O ATOM 591 CB ARG A 52 3.912 -6.380 -0.452 1.00 0.00 C ATOM 592 CG ARG A 52 3.740 -7.697 0.313 1.00 0.00 C ATOM 593 CD ARG A 52 4.716 -7.716 1.495 1.00 0.00 C ATOM 594 NE ARG A 52 4.100 -6.995 2.646 1.00 0.00 N ATOM 595 CZ ARG A 52 4.543 -7.218 3.855 1.00 0.00 C ATOM 596 NH1 ARG A 52 4.600 -8.446 4.289 1.00 0.00 N ATOM 597 NH2 ARG A 52 4.920 -6.204 4.585 1.00 0.00 N ATOM 0 H ARG A 52 4.201 -5.095 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 52 2.357 -7.186 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.866 -6.375 -0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.927 -5.542 0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.715 -7.795 0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.930 -8.544 -0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.948 -8.744 1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.657 -7.242 1.214 1.00 0.00 H new ATOM 0 HE ARG A 52 3.339 -6.333 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.302 -9.214 3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.943 -8.639 5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.866 -5.257 4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.269 -6.358 5.531 1.00 0.00 H new ATOM 611 N THR A 53 1.606 -4.134 -1.142 1.00 0.00 N ATOM 612 CA THR A 53 0.569 -3.245 -0.562 1.00 0.00 C ATOM 613 C THR A 53 -0.792 -3.448 -1.229 1.00 0.00 C ATOM 614 O THR A 53 -1.813 -3.345 -0.579 1.00 0.00 O ATOM 615 CB THR A 53 1.011 -1.796 -0.787 1.00 0.00 C ATOM 616 OG1 THR A 53 2.056 -1.576 0.137 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.091 -0.814 -0.363 1.00 0.00 C ATOM 0 H THR A 53 2.243 -3.686 -1.801 1.00 0.00 H new ATOM 0 HA THR A 53 0.463 -3.478 0.497 1.00 0.00 H new ATOM 0 HB THR A 53 1.270 -1.649 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.916 -1.590 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.247 0.208 -0.533 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.990 -1.001 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.313 -0.952 0.695 1.00 0.00 H new ATOM 625 N MET A 54 -0.779 -3.730 -2.517 1.00 0.00 N ATOM 626 CA MET A 54 -2.066 -3.942 -3.244 1.00 0.00 C ATOM 627 C MET A 54 -2.102 -5.304 -3.926 1.00 0.00 C ATOM 628 O MET A 54 -3.127 -5.718 -4.430 1.00 0.00 O ATOM 629 CB MET A 54 -2.189 -2.853 -4.324 1.00 0.00 C ATOM 630 CG MET A 54 -2.453 -1.505 -3.653 1.00 0.00 C ATOM 631 SD MET A 54 -3.620 -1.476 -2.270 1.00 0.00 S ATOM 632 CE MET A 54 -3.863 0.316 -2.215 1.00 0.00 C ATOM 0 H MET A 54 0.063 -3.820 -3.086 1.00 0.00 H new ATOM 0 HA MET A 54 -2.886 -3.894 -2.527 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.274 -2.805 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.000 -3.096 -5.011 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.500 -1.114 -3.297 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.817 -0.815 -4.415 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.562 0.564 -1.416 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.908 0.807 -2.027 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.265 0.658 -3.169 1.00 0.00 H new ATOM 642 N GLY A 55 -0.988 -5.977 -3.931 1.00 0.00 N ATOM 643 CA GLY A 55 -0.951 -7.318 -4.582 1.00 0.00 C ATOM 644 C GLY A 55 -1.269 -8.421 -3.569 1.00 0.00 C ATOM 645 O GLY A 55 -1.941 -9.376 -3.893 1.00 0.00 O ATOM 0 H GLY A 55 -0.110 -5.663 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.671 -7.350 -5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.034 -7.490 -5.017 1.00 0.00 H new ATOM 649 N TYR A 56 -0.773 -8.251 -2.363 1.00 0.00 N ATOM 650 CA TYR A 56 -1.018 -9.266 -1.290 1.00 0.00 C ATOM 651 C TYR A 56 -1.027 -10.689 -1.846 1.00 0.00 C ATOM 652 O TYR A 56 -1.612 -11.580 -1.265 1.00 0.00 O ATOM 653 CB TYR A 56 -2.381 -8.960 -0.613 1.00 0.00 C ATOM 654 CG TYR A 56 -3.536 -9.571 -1.423 1.00 0.00 C ATOM 655 CD1 TYR A 56 -4.056 -8.906 -2.515 1.00 0.00 C ATOM 656 CD2 TYR A 56 -4.081 -10.789 -1.060 1.00 0.00 C ATOM 657 CE1 TYR A 56 -5.101 -9.449 -3.234 1.00 0.00 C ATOM 658 CE2 TYR A 56 -5.127 -11.330 -1.781 1.00 0.00 C ATOM 659 CZ TYR A 56 -5.645 -10.665 -2.874 1.00 0.00 C ATOM 660 OH TYR A 56 -6.689 -11.207 -3.593 1.00 0.00 O ATOM 0 H TYR A 56 -0.208 -7.451 -2.078 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.207 -9.203 -0.564 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.388 -9.361 0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.518 -7.882 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.642 -7.953 -2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.686 -11.321 -0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.497 -8.917 -4.087 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.544 -12.282 -1.487 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.945 -12.067 -3.199 1.00 0.00 H new ATOM 670 N MET A 57 -0.361 -10.869 -2.962 1.00 0.00 N ATOM 671 CA MET A 57 -0.306 -12.222 -3.589 1.00 0.00 C ATOM 672 C MET A 57 1.133 -12.676 -3.936 1.00 0.00 C ATOM 673 O MET A 57 1.428 -13.853 -3.891 1.00 0.00 O ATOM 674 CB MET A 57 -1.128 -12.181 -4.889 1.00 0.00 C ATOM 675 CG MET A 57 -1.418 -13.615 -5.341 1.00 0.00 C ATOM 676 SD MET A 57 -0.056 -14.539 -6.098 1.00 0.00 S ATOM 677 CE MET A 57 -0.990 -16.035 -6.507 1.00 0.00 C ATOM 0 H MET A 57 0.145 -10.138 -3.462 1.00 0.00 H new ATOM 0 HA MET A 57 -0.705 -12.934 -2.867 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.061 -11.641 -4.728 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.580 -11.645 -5.664 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.767 -14.178 -4.475 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.242 -13.584 -6.054 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.330 -16.754 -6.992 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.395 -16.472 -5.594 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.808 -15.780 -7.181 1.00 0.00 H new ATOM 687 N PRO A 58 2.007 -11.735 -4.274 1.00 0.00 N ATOM 688 CA PRO A 58 3.386 -12.076 -4.619 1.00 0.00 C ATOM 689 C PRO A 58 4.174 -12.528 -3.395 1.00 0.00 C ATOM 690 O PRO A 58 3.663 -12.541 -2.293 1.00 0.00 O ATOM 691 CB PRO A 58 3.992 -10.766 -5.168 1.00 0.00 C ATOM 692 CG PRO A 58 2.895 -9.664 -5.044 1.00 0.00 C ATOM 693 CD PRO A 58 1.692 -10.305 -4.334 1.00 0.00 C ATOM 0 HA PRO A 58 3.422 -12.898 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.882 -10.488 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.298 -10.889 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.268 -8.811 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.609 -9.292 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.554 -9.889 -3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.768 -10.127 -4.884 1.00 0.00 H new ATOM 701 N THR A 59 5.408 -12.892 -3.613 1.00 0.00 N ATOM 702 CA THR A 59 6.246 -13.346 -2.478 1.00 0.00 C ATOM 703 C THR A 59 6.944 -12.165 -1.817 1.00 0.00 C ATOM 704 O THR A 59 6.436 -11.060 -1.822 1.00 0.00 O ATOM 705 CB THR A 59 7.310 -14.307 -3.018 1.00 0.00 C ATOM 706 OG1 THR A 59 8.255 -13.488 -3.676 1.00 0.00 O ATOM 707 CG2 THR A 59 6.730 -15.196 -4.128 1.00 0.00 C ATOM 0 H THR A 59 5.866 -12.893 -4.524 1.00 0.00 H new ATOM 0 HA THR A 59 5.612 -13.837 -1.740 1.00 0.00 H new ATOM 0 HB THR A 59 7.702 -14.918 -2.205 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.788 -12.851 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.504 -15.870 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.900 -15.779 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.374 -14.570 -4.947 1.00 0.00 H new ATOM 715 N GLU A 60 8.102 -12.428 -1.258 1.00 0.00 N ATOM 716 CA GLU A 60 8.868 -11.346 -0.584 1.00 0.00 C ATOM 717 C GLU A 60 10.179 -11.071 -1.309 1.00 0.00 C ATOM 718 O GLU A 60 11.018 -10.342 -0.818 1.00 0.00 O ATOM 719 CB GLU A 60 9.186 -11.805 0.848 1.00 0.00 C ATOM 720 CG GLU A 60 7.879 -11.949 1.631 1.00 0.00 C ATOM 721 CD GLU A 60 8.196 -12.294 3.088 1.00 0.00 C ATOM 722 OE1 GLU A 60 9.146 -11.714 3.587 1.00 0.00 O ATOM 723 OE2 GLU A 60 7.469 -13.116 3.620 1.00 0.00 O ATOM 0 H GLU A 60 8.545 -13.347 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 60 8.272 -10.434 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.719 -12.756 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.840 -11.083 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.308 -11.022 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.260 -12.729 1.187 1.00 0.00 H new ATOM 730 N MET A 61 10.336 -11.656 -2.466 1.00 0.00 N ATOM 731 CA MET A 61 11.591 -11.431 -3.226 1.00 0.00 C ATOM 732 C MET A 61 11.454 -11.904 -4.666 1.00 0.00 C ATOM 733 O MET A 61 12.241 -11.538 -5.516 1.00 0.00 O ATOM 734 CB MET A 61 12.714 -12.229 -2.553 1.00 0.00 C ATOM 735 CG MET A 61 12.477 -13.724 -2.782 1.00 0.00 C ATOM 736 SD MET A 61 13.390 -14.514 -4.131 1.00 0.00 S ATOM 737 CE MET A 61 13.246 -16.218 -3.538 1.00 0.00 C ATOM 0 H MET A 61 9.656 -12.273 -2.911 1.00 0.00 H new ATOM 0 HA MET A 61 11.812 -10.364 -3.231 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.681 -11.935 -2.962 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.741 -12.012 -1.485 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.720 -14.249 -1.858 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.412 -13.873 -2.963 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.750 -16.889 -4.234 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.708 -16.301 -2.554 1.00 0.00 H new ATOM 0 HE3 MET A 61 12.193 -16.491 -3.468 1.00 0.00 H new ATOM 747 N GLU A 62 10.464 -12.710 -4.918 1.00 0.00 N ATOM 748 CA GLU A 62 10.276 -13.206 -6.300 1.00 0.00 C ATOM 749 C GLU A 62 9.724 -12.101 -7.192 1.00 0.00 C ATOM 750 O GLU A 62 10.223 -11.870 -8.288 1.00 0.00 O ATOM 751 CB GLU A 62 9.275 -14.371 -6.269 1.00 0.00 C ATOM 752 CG GLU A 62 9.300 -15.092 -7.620 1.00 0.00 C ATOM 753 CD GLU A 62 10.547 -15.977 -7.701 1.00 0.00 C ATOM 754 OE1 GLU A 62 11.269 -15.986 -6.719 1.00 0.00 O ATOM 755 OE2 GLU A 62 10.707 -16.593 -8.742 1.00 0.00 O ATOM 0 H GLU A 62 9.785 -13.042 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 62 11.236 -13.533 -6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.531 -15.065 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.272 -13.999 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.402 -15.698 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.303 -14.365 -8.432 1.00 0.00 H new ATOM 762 N LEU A 63 8.708 -11.429 -6.720 1.00 0.00 N ATOM 763 CA LEU A 63 8.141 -10.349 -7.546 1.00 0.00 C ATOM 764 C LEU A 63 9.261 -9.440 -8.001 1.00 0.00 C ATOM 765 O LEU A 63 9.193 -8.829 -9.048 1.00 0.00 O ATOM 766 CB LEU A 63 7.108 -9.552 -6.711 1.00 0.00 C ATOM 767 CG LEU A 63 7.812 -8.634 -5.700 1.00 0.00 C ATOM 768 CD1 LEU A 63 6.763 -7.726 -5.066 1.00 0.00 C ATOM 769 CD2 LEU A 63 8.466 -9.478 -4.605 1.00 0.00 C ATOM 0 H LEU A 63 8.261 -11.583 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 63 7.640 -10.767 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.480 -8.956 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.450 -10.243 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 63 8.577 -8.044 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.242 -7.065 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.282 -7.129 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.014 -8.334 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.964 -8.823 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.703 -10.062 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.198 -10.151 -5.052 1.00 0.00 H new ATOM 781 N ILE A 64 10.284 -9.369 -7.191 1.00 0.00 N ATOM 782 CA ILE A 64 11.423 -8.527 -7.531 1.00 0.00 C ATOM 783 C ILE A 64 12.087 -9.060 -8.794 1.00 0.00 C ATOM 784 O ILE A 64 12.420 -8.309 -9.688 1.00 0.00 O ATOM 785 CB ILE A 64 12.394 -8.585 -6.335 1.00 0.00 C ATOM 786 CG1 ILE A 64 12.616 -7.191 -5.802 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.758 -9.166 -6.776 1.00 0.00 C ATOM 788 CD1 ILE A 64 11.294 -6.642 -5.262 1.00 0.00 C ATOM 0 H ILE A 64 10.362 -9.869 -6.306 1.00 0.00 H new ATOM 0 HA ILE A 64 11.120 -7.498 -7.723 1.00 0.00 H new ATOM 0 HB ILE A 64 11.960 -9.223 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 64 13.367 -7.206 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.997 -6.543 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.433 -9.200 -5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.615 -10.174 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.189 -8.534 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 64 11.449 -5.635 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.557 -6.613 -6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 64 10.933 -7.286 -4.461 1.00 0.00 H new ATOM 800 N GLU A 65 12.265 -10.357 -8.846 1.00 0.00 N ATOM 801 CA GLU A 65 12.900 -10.941 -10.042 1.00 0.00 C ATOM 802 C GLU A 65 12.202 -10.418 -11.273 1.00 0.00 C ATOM 803 O GLU A 65 12.824 -10.152 -12.282 1.00 0.00 O ATOM 804 CB GLU A 65 12.750 -12.472 -9.988 1.00 0.00 C ATOM 805 CG GLU A 65 13.879 -13.119 -10.800 1.00 0.00 C ATOM 806 CD GLU A 65 13.514 -13.091 -12.286 1.00 0.00 C ATOM 807 OE1 GLU A 65 12.339 -13.277 -12.558 1.00 0.00 O ATOM 808 OE2 GLU A 65 14.430 -12.888 -13.066 1.00 0.00 O ATOM 0 H GLU A 65 11.999 -11.020 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 65 13.956 -10.672 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.786 -12.817 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.781 -12.769 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.814 -12.585 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.036 -14.146 -10.472 1.00 0.00 H new ATOM 815 N LEU A 66 10.907 -10.281 -11.172 1.00 0.00 N ATOM 816 CA LEU A 66 10.146 -9.770 -12.334 1.00 0.00 C ATOM 817 C LEU A 66 10.533 -8.328 -12.602 1.00 0.00 C ATOM 818 O LEU A 66 11.029 -7.997 -13.666 1.00 0.00 O ATOM 819 CB LEU A 66 8.646 -9.837 -12.010 1.00 0.00 C ATOM 820 CG LEU A 66 8.304 -11.237 -11.490 1.00 0.00 C ATOM 821 CD1 LEU A 66 6.784 -11.375 -11.380 1.00 0.00 C ATOM 822 CD2 LEU A 66 8.834 -12.284 -12.473 1.00 0.00 C ATOM 0 H LEU A 66 10.354 -10.499 -10.343 1.00 0.00 H new ATOM 0 HA LEU A 66 10.369 -10.373 -13.214 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.389 -9.086 -11.263 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.059 -9.614 -12.901 1.00 0.00 H new ATOM 0 HG LEU A 66 8.760 -11.387 -10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.535 -12.370 -11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.400 -10.624 -10.689 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.333 -11.229 -12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.593 -13.282 -12.107 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.372 -12.134 -13.449 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.915 -12.183 -12.564 1.00 0.00 H new ATOM 834 N SER A 67 10.306 -7.488 -11.632 1.00 0.00 N ATOM 835 CA SER A 67 10.658 -6.073 -11.818 1.00 0.00 C ATOM 836 C SER A 67 12.135 -5.951 -12.129 1.00 0.00 C ATOM 837 O SER A 67 12.586 -4.964 -12.669 1.00 0.00 O ATOM 838 CB SER A 67 10.340 -5.318 -10.524 1.00 0.00 C ATOM 839 OG SER A 67 11.198 -5.908 -9.558 1.00 0.00 O ATOM 0 H SER A 67 9.895 -7.726 -10.729 1.00 0.00 H new ATOM 0 HA SER A 67 10.087 -5.653 -12.646 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.532 -4.250 -10.628 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.292 -5.428 -10.246 1.00 0.00 H new ATOM 0 HG SER A 67 11.390 -6.834 -9.814 1.00 0.00 H new ATOM 845 N GLN A 68 12.867 -6.967 -11.771 1.00 0.00 N ATOM 846 CA GLN A 68 14.320 -6.947 -12.034 1.00 0.00 C ATOM 847 C GLN A 68 14.550 -7.300 -13.483 1.00 0.00 C ATOM 848 O GLN A 68 15.486 -6.840 -14.102 1.00 0.00 O ATOM 849 CB GLN A 68 15.002 -7.997 -11.146 1.00 0.00 C ATOM 850 CG GLN A 68 16.518 -7.836 -11.256 1.00 0.00 C ATOM 851 CD GLN A 68 17.205 -8.946 -10.457 1.00 0.00 C ATOM 852 OE1 GLN A 68 16.684 -9.432 -9.472 1.00 0.00 O ATOM 853 NE2 GLN A 68 18.373 -9.374 -10.845 1.00 0.00 N ATOM 0 H GLN A 68 12.517 -7.806 -11.309 1.00 0.00 H new ATOM 0 HA GLN A 68 14.730 -5.960 -11.818 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.685 -7.876 -10.110 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.707 -9.000 -11.455 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.825 -7.881 -12.301 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.820 -6.860 -10.877 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.816 -8.970 -11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.845 -10.113 -10.323 1.00 0.00 H new ATOM 862 N GLN A 69 13.679 -8.125 -14.002 1.00 0.00 N ATOM 863 CA GLN A 69 13.816 -8.528 -15.407 1.00 0.00 C ATOM 864 C GLN A 69 13.705 -7.300 -16.285 1.00 0.00 C ATOM 865 O GLN A 69 14.372 -7.188 -17.294 1.00 0.00 O ATOM 866 CB GLN A 69 12.674 -9.494 -15.756 1.00 0.00 C ATOM 867 CG GLN A 69 13.017 -10.232 -17.053 1.00 0.00 C ATOM 868 CD GLN A 69 12.057 -9.788 -18.158 1.00 0.00 C ATOM 869 OE1 GLN A 69 11.067 -10.436 -18.434 1.00 0.00 O ATOM 870 NE2 GLN A 69 12.313 -8.691 -18.817 1.00 0.00 N ATOM 0 H GLN A 69 12.885 -8.529 -13.505 1.00 0.00 H new ATOM 0 HA GLN A 69 14.780 -9.012 -15.566 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.525 -10.208 -14.946 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.740 -8.945 -15.872 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.046 -10.021 -17.343 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.943 -11.309 -16.902 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.142 -8.142 -18.591 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.684 -8.383 -19.558 1.00 0.00 H new ATOM 879 N ILE A 70 12.853 -6.387 -15.879 1.00 0.00 N ATOM 880 CA ILE A 70 12.685 -5.153 -16.677 1.00 0.00 C ATOM 881 C ILE A 70 14.047 -4.606 -17.055 1.00 0.00 C ATOM 882 O ILE A 70 14.234 -4.067 -18.127 1.00 0.00 O ATOM 883 CB ILE A 70 11.970 -4.111 -15.817 1.00 0.00 C ATOM 884 CG1 ILE A 70 10.504 -4.476 -15.660 1.00 0.00 C ATOM 885 CG2 ILE A 70 12.063 -2.750 -16.521 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.814 -3.400 -14.818 1.00 0.00 C ATOM 0 H ILE A 70 12.278 -6.450 -15.039 1.00 0.00 H new ATOM 0 HA ILE A 70 12.110 -5.373 -17.577 1.00 0.00 H new ATOM 0 HB ILE A 70 12.438 -4.073 -14.833 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.028 -4.553 -16.637 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.407 -5.450 -15.180 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.557 -1.994 -15.920 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.110 -2.475 -16.644 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.587 -2.813 -17.500 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.760 -3.652 -14.699 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.288 -3.346 -13.838 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.902 -2.435 -15.317 1.00 0.00 H new ATOM 898 N ASN A 71 14.977 -4.760 -16.154 1.00 0.00 N ATOM 899 CA ASN A 71 16.342 -4.264 -16.416 1.00 0.00 C ATOM 900 C ASN A 71 16.852 -4.755 -17.773 1.00 0.00 C ATOM 901 O ASN A 71 17.866 -4.295 -18.258 1.00 0.00 O ATOM 902 CB ASN A 71 17.262 -4.801 -15.302 1.00 0.00 C ATOM 903 CG ASN A 71 18.539 -3.954 -15.245 1.00 0.00 C ATOM 904 OD1 ASN A 71 18.828 -3.186 -16.142 1.00 0.00 O ATOM 905 ND2 ASN A 71 19.327 -4.061 -14.209 1.00 0.00 N ATOM 0 H ASN A 71 14.843 -5.210 -15.248 1.00 0.00 H new ATOM 0 HA ASN A 71 16.336 -3.174 -16.431 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.747 -4.768 -14.342 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.513 -5.844 -15.493 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.179 -3.502 -14.156 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.091 -4.703 -13.453 1.00 0.00 H new ATOM 912 N MET A 72 16.135 -5.679 -18.361 1.00 0.00 N ATOM 913 CA MET A 72 16.563 -6.206 -19.682 1.00 0.00 C ATOM 914 C MET A 72 15.888 -5.440 -20.814 1.00 0.00 C ATOM 915 O MET A 72 15.806 -5.918 -21.929 1.00 0.00 O ATOM 916 CB MET A 72 16.148 -7.682 -19.781 1.00 0.00 C ATOM 917 CG MET A 72 17.066 -8.530 -18.900 1.00 0.00 C ATOM 918 SD MET A 72 18.177 -7.658 -17.770 1.00 0.00 S ATOM 919 CE MET A 72 18.620 -9.087 -16.749 1.00 0.00 C ATOM 0 H MET A 72 15.279 -6.086 -17.983 1.00 0.00 H new ATOM 0 HA MET A 72 17.644 -6.094 -19.771 1.00 0.00 H new ATOM 0 HB2 MET A 72 15.112 -7.801 -19.465 1.00 0.00 H new ATOM 0 HB3 MET A 72 16.207 -8.019 -20.816 1.00 0.00 H new ATOM 0 HG2 MET A 72 16.441 -9.198 -18.308 1.00 0.00 H new ATOM 0 HG3 MET A 72 17.674 -9.157 -19.553 1.00 0.00 H new ATOM 0 HE1 MET A 72 19.314 -8.775 -15.968 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.721 -9.500 -16.292 1.00 0.00 H new ATOM 0 HE3 MET A 72 19.092 -9.847 -17.372 1.00 0.00 H new ATOM 929 N ASN A 73 15.414 -4.264 -20.508 1.00 0.00 N ATOM 930 CA ASN A 73 14.743 -3.455 -21.552 1.00 0.00 C ATOM 931 C ASN A 73 14.619 -2.005 -21.107 1.00 0.00 C ATOM 932 O ASN A 73 15.355 -1.151 -21.558 1.00 0.00 O ATOM 933 CB ASN A 73 13.336 -4.026 -21.781 1.00 0.00 C ATOM 934 CG ASN A 73 12.611 -3.173 -22.822 1.00 0.00 C ATOM 935 OD1 ASN A 73 13.110 -2.156 -23.263 1.00 0.00 O ATOM 936 ND2 ASN A 73 11.434 -3.548 -23.243 1.00 0.00 N ATOM 0 H ASN A 73 15.464 -3.834 -19.584 1.00 0.00 H new ATOM 0 HA ASN A 73 15.332 -3.493 -22.469 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.401 -5.059 -22.121 1.00 0.00 H new ATOM 0 HB3 ASN A 73 12.777 -4.033 -20.846 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.939 -2.989 -23.938 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.009 -4.400 -22.877 1.00 0.00 H new ATOM 943 N LEU A 74 13.688 -1.751 -20.229 1.00 0.00 N ATOM 944 CA LEU A 74 13.510 -0.359 -19.749 1.00 0.00 C ATOM 945 C LEU A 74 14.735 0.089 -18.967 1.00 0.00 C ATOM 946 O LEU A 74 15.457 0.967 -19.397 1.00 0.00 O ATOM 947 CB LEU A 74 12.283 -0.314 -18.824 1.00 0.00 C ATOM 948 CG LEU A 74 11.123 -1.050 -19.496 1.00 0.00 C ATOM 949 CD1 LEU A 74 9.849 -0.847 -18.672 1.00 0.00 C ATOM 950 CD2 LEU A 74 10.911 -0.480 -20.898 1.00 0.00 C ATOM 0 H LEU A 74 13.051 -2.440 -19.829 1.00 0.00 H new ATOM 0 HA LEU A 74 13.373 0.304 -20.603 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.517 -0.777 -17.866 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.004 0.720 -18.619 1.00 0.00 H new ATOM 0 HG LEU A 74 11.352 -2.114 -19.561 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.020 -1.371 -19.149 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.999 -1.243 -17.667 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.620 0.217 -18.612 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.085 -1.001 -21.382 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.678 0.582 -20.827 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.819 -0.614 -21.486 1.00 0.00 H new ATOM 962 N GLY A 75 14.947 -0.530 -17.831 1.00 0.00 N ATOM 963 CA GLY A 75 16.132 -0.157 -16.994 1.00 0.00 C ATOM 964 C GLY A 75 15.734 0.047 -15.528 1.00 0.00 C ATOM 965 O GLY A 75 16.275 0.903 -14.856 1.00 0.00 O ATOM 0 H GLY A 75 14.358 -1.270 -17.449 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.889 -0.938 -17.063 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.581 0.757 -17.382 1.00 0.00 H new ATOM 969 N GLY A 76 14.800 -0.736 -15.055 1.00 0.00 N ATOM 970 CA GLY A 76 14.378 -0.579 -13.636 1.00 0.00 C ATOM 971 C GLY A 76 13.551 0.694 -13.462 1.00 0.00 C ATOM 972 O GLY A 76 13.770 1.463 -12.547 1.00 0.00 O ATOM 0 H GLY A 76 14.319 -1.465 -15.581 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.793 -1.445 -13.326 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.256 -0.540 -12.991 1.00 0.00 H new ATOM 976 N HIS A 77 12.627 0.888 -14.350 1.00 0.00 N ATOM 977 CA HIS A 77 11.771 2.093 -14.272 1.00 0.00 C ATOM 978 C HIS A 77 10.399 1.776 -14.827 1.00 0.00 C ATOM 979 O HIS A 77 10.270 1.435 -15.987 1.00 0.00 O ATOM 980 CB HIS A 77 12.401 3.202 -15.119 1.00 0.00 C ATOM 981 CG HIS A 77 13.250 4.111 -14.226 1.00 0.00 C ATOM 982 ND1 HIS A 77 14.460 4.364 -14.409 1.00 0.00 N ATOM 983 CD2 HIS A 77 12.895 4.818 -13.092 1.00 0.00 C ATOM 984 CE1 HIS A 77 14.911 5.149 -13.524 1.00 0.00 C ATOM 985 NE2 HIS A 77 13.981 5.497 -12.632 1.00 0.00 N ATOM 0 H HIS A 77 12.427 0.262 -15.130 1.00 0.00 H new ATOM 0 HA HIS A 77 11.682 2.412 -13.234 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.019 2.767 -15.904 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.622 3.784 -15.612 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.913 4.830 -12.643 1.00 0.00 H new ATOM 0 HE1 HIS A 77 15.933 5.498 -13.494 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.063 6.110 -11.821 1.00 0.00 H new ATOM 993 N VAL A 78 9.398 1.895 -13.993 1.00 0.00 N ATOM 994 CA VAL A 78 8.016 1.602 -14.454 1.00 0.00 C ATOM 995 C VAL A 78 7.117 2.823 -14.398 1.00 0.00 C ATOM 996 O VAL A 78 7.094 3.556 -13.426 1.00 0.00 O ATOM 997 CB VAL A 78 7.428 0.493 -13.535 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.351 0.301 -12.355 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.039 0.895 -13.002 1.00 0.00 C ATOM 0 H VAL A 78 9.481 2.181 -13.018 1.00 0.00 H new ATOM 0 HA VAL A 78 8.061 1.281 -15.495 1.00 0.00 H new ATOM 0 HB VAL A 78 7.333 -0.424 -14.116 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.950 -0.474 -11.702 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.338 0.003 -12.710 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.432 1.236 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.651 0.102 -12.363 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.123 1.817 -12.426 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.359 1.051 -13.840 1.00 0.00 H new ATOM 1009 N ASP A 79 6.408 3.014 -15.461 1.00 0.00 N ATOM 1010 CA ASP A 79 5.485 4.155 -15.546 1.00 0.00 C ATOM 1011 C ASP A 79 4.115 3.638 -15.188 1.00 0.00 C ATOM 1012 O ASP A 79 3.919 2.438 -15.165 1.00 0.00 O ATOM 1013 CB ASP A 79 5.469 4.684 -16.990 1.00 0.00 C ATOM 1014 CG ASP A 79 5.183 3.528 -17.949 1.00 0.00 C ATOM 1015 OD1 ASP A 79 5.076 2.421 -17.446 1.00 0.00 O ATOM 1016 OD2 ASP A 79 5.087 3.815 -19.131 1.00 0.00 O ATOM 0 H ASP A 79 6.431 2.416 -16.287 1.00 0.00 H new ATOM 0 HA ASP A 79 5.788 4.961 -14.877 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.709 5.457 -17.098 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.427 5.143 -17.232 1.00 0.00 H new ATOM 1021 N PHE A 80 3.197 4.504 -14.869 1.00 0.00 N ATOM 1022 CA PHE A 80 1.858 3.985 -14.520 1.00 0.00 C ATOM 1023 C PHE A 80 1.420 2.921 -15.521 1.00 0.00 C ATOM 1024 O PHE A 80 0.486 2.181 -15.279 1.00 0.00 O ATOM 1025 CB PHE A 80 0.832 5.123 -14.523 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.443 4.595 -13.866 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.406 4.086 -12.576 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.631 4.548 -14.570 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.530 3.537 -12.010 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.758 3.998 -13.998 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.708 3.494 -12.718 1.00 0.00 C ATOM 0 H PHE A 80 3.313 5.517 -14.836 1.00 0.00 H new ATOM 0 HA PHE A 80 1.914 3.544 -13.525 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.215 5.986 -13.978 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.630 5.454 -15.542 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.515 4.122 -12.012 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.677 4.944 -15.574 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.489 3.138 -11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.682 3.962 -14.555 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.593 3.065 -12.271 1.00 0.00 H new ATOM 1041 N ASP A 81 2.109 2.864 -16.632 1.00 0.00 N ATOM 1042 CA ASP A 81 1.757 1.858 -17.657 1.00 0.00 C ATOM 1043 C ASP A 81 2.369 0.505 -17.301 1.00 0.00 C ATOM 1044 O ASP A 81 1.696 -0.506 -17.330 1.00 0.00 O ATOM 1045 CB ASP A 81 2.318 2.323 -19.006 1.00 0.00 C ATOM 1046 CG ASP A 81 1.679 1.504 -20.128 1.00 0.00 C ATOM 1047 OD1 ASP A 81 0.477 1.311 -20.038 1.00 0.00 O ATOM 1048 OD2 ASP A 81 2.427 1.120 -21.010 1.00 0.00 O ATOM 0 H ASP A 81 2.895 3.471 -16.866 1.00 0.00 H new ATOM 0 HA ASP A 81 0.673 1.753 -17.707 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.113 3.384 -19.152 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.401 2.202 -19.024 1.00 0.00 H new ATOM 1053 N ASP A 82 3.644 0.504 -16.968 1.00 0.00 N ATOM 1054 CA ASP A 82 4.292 -0.780 -16.610 1.00 0.00 C ATOM 1055 C ASP A 82 3.786 -1.218 -15.252 1.00 0.00 C ATOM 1056 O ASP A 82 3.694 -2.391 -14.957 1.00 0.00 O ATOM 1057 CB ASP A 82 5.813 -0.561 -16.538 1.00 0.00 C ATOM 1058 CG ASP A 82 6.320 -0.071 -17.897 1.00 0.00 C ATOM 1059 OD1 ASP A 82 5.626 -0.343 -18.862 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.372 0.546 -17.890 1.00 0.00 O ATOM 0 H ASP A 82 4.245 1.327 -16.932 1.00 0.00 H new ATOM 0 HA ASP A 82 4.062 -1.542 -17.354 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.050 0.169 -15.764 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.313 -1.490 -16.264 1.00 0.00 H new ATOM 1065 N PHE A 83 3.468 -0.241 -14.454 1.00 0.00 N ATOM 1066 CA PHE A 83 2.956 -0.511 -13.095 1.00 0.00 C ATOM 1067 C PHE A 83 1.618 -1.228 -13.194 1.00 0.00 C ATOM 1068 O PHE A 83 1.365 -2.195 -12.496 1.00 0.00 O ATOM 1069 CB PHE A 83 2.757 0.859 -12.438 1.00 0.00 C ATOM 1070 CG PHE A 83 2.262 0.739 -10.998 1.00 0.00 C ATOM 1071 CD1 PHE A 83 3.089 0.258 -9.997 1.00 0.00 C ATOM 1072 CD2 PHE A 83 1.020 1.247 -10.652 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.681 0.297 -8.674 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.618 1.283 -9.334 1.00 0.00 C ATOM 1075 CZ PHE A 83 1.446 0.814 -8.347 1.00 0.00 C ATOM 0 H PHE A 83 3.544 0.747 -14.694 1.00 0.00 H new ATOM 0 HA PHE A 83 3.640 -1.136 -12.521 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.699 1.408 -12.453 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.041 1.439 -13.020 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.057 -0.150 -10.249 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.361 1.618 -11.423 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.331 -0.078 -7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.352 1.682 -9.078 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.131 0.850 -7.315 1.00 0.00 H new ATOM 1085 N VAL A 84 0.785 -0.739 -14.077 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.542 -1.363 -14.258 1.00 0.00 C ATOM 1087 C VAL A 84 -0.386 -2.727 -14.914 1.00 0.00 C ATOM 1088 O VAL A 84 -1.114 -3.653 -14.618 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.380 -0.448 -15.180 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.351 -1.295 -16.008 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.179 0.536 -14.326 1.00 0.00 C ATOM 0 H VAL A 84 0.974 0.065 -14.676 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.031 -1.489 -13.292 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.712 0.096 -15.848 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.939 -0.645 -16.656 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.788 -2.002 -16.617 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.018 -1.841 -15.341 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.771 1.183 -14.974 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.842 -0.016 -13.660 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.494 1.144 -13.735 1.00 0.00 H new ATOM 1101 N GLU A 85 0.570 -2.821 -15.799 1.00 0.00 N ATOM 1102 CA GLU A 85 0.801 -4.108 -16.490 1.00 0.00 C ATOM 1103 C GLU A 85 1.439 -5.108 -15.541 1.00 0.00 C ATOM 1104 O GLU A 85 1.274 -6.301 -15.689 1.00 0.00 O ATOM 1105 CB GLU A 85 1.752 -3.860 -17.668 1.00 0.00 C ATOM 1106 CG GLU A 85 1.664 -5.036 -18.640 1.00 0.00 C ATOM 1107 CD GLU A 85 2.180 -4.597 -20.011 1.00 0.00 C ATOM 1108 OE1 GLU A 85 3.003 -3.697 -20.016 1.00 0.00 O ATOM 1109 OE2 GLU A 85 1.722 -5.187 -20.975 1.00 0.00 O ATOM 0 H GLU A 85 1.195 -2.061 -16.068 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.150 -4.510 -16.839 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.487 -2.932 -18.176 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.774 -3.746 -17.308 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.253 -5.875 -18.268 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.633 -5.381 -18.720 1.00 0.00 H new ATOM 1116 N LEU A 86 2.167 -4.603 -14.583 1.00 0.00 N ATOM 1117 CA LEU A 86 2.823 -5.512 -13.616 1.00 0.00 C ATOM 1118 C LEU A 86 1.765 -6.204 -12.766 1.00 0.00 C ATOM 1119 O LEU A 86 1.847 -7.387 -12.501 1.00 0.00 O ATOM 1120 CB LEU A 86 3.734 -4.672 -12.694 1.00 0.00 C ATOM 1121 CG LEU A 86 5.193 -5.137 -12.838 1.00 0.00 C ATOM 1122 CD1 LEU A 86 6.037 -4.470 -11.750 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.262 -6.655 -12.665 1.00 0.00 C ATOM 0 H LEU A 86 2.332 -3.608 -14.433 1.00 0.00 H new ATOM 0 HA LEU A 86 3.407 -6.262 -14.150 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.652 -3.616 -12.951 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.411 -4.774 -11.658 1.00 0.00 H new ATOM 0 HG LEU A 86 5.571 -4.864 -13.823 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.074 -4.794 -11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.984 -3.387 -11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.656 -4.753 -10.769 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.295 -6.986 -12.767 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.890 -6.926 -11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.650 -7.136 -13.428 1.00 0.00 H new ATOM 1135 N MET A 87 0.781 -5.441 -12.357 1.00 0.00 N ATOM 1136 CA MET A 87 -0.303 -6.020 -11.520 1.00 0.00 C ATOM 1137 C MET A 87 -1.470 -6.480 -12.395 1.00 0.00 C ATOM 1138 O MET A 87 -2.298 -7.263 -11.974 1.00 0.00 O ATOM 1139 CB MET A 87 -0.803 -4.917 -10.569 1.00 0.00 C ATOM 1140 CG MET A 87 -1.149 -5.532 -9.212 1.00 0.00 C ATOM 1141 SD MET A 87 0.108 -5.440 -7.911 1.00 0.00 S ATOM 1142 CE MET A 87 0.191 -3.634 -7.798 1.00 0.00 C ATOM 0 H MET A 87 0.686 -4.448 -12.568 1.00 0.00 H new ATOM 0 HA MET A 87 0.080 -6.879 -10.968 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.037 -4.151 -10.448 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.680 -4.427 -10.992 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.052 -5.047 -8.843 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.394 -6.582 -9.371 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.508 -3.346 -6.795 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.908 -3.256 -8.527 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.792 -3.211 -8.003 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.502 -5.984 -13.599 1.00 0.00 N ATOM 1153 CA GLY A 88 -2.599 -6.363 -14.542 1.00 0.00 C ATOM 1154 C GLY A 88 -2.938 -7.867 -14.478 1.00 0.00 C ATOM 1155 O GLY A 88 -4.059 -8.242 -14.199 1.00 0.00 O ATOM 0 H GLY A 88 -0.815 -5.330 -13.975 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.491 -5.782 -14.309 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.306 -6.103 -15.559 1.00 0.00 H new ATOM 1159 N PRO A 89 -1.948 -8.693 -14.741 1.00 0.00 N ATOM 1160 CA PRO A 89 -2.128 -10.145 -14.718 1.00 0.00 C ATOM 1161 C PRO A 89 -2.774 -10.639 -13.425 1.00 0.00 C ATOM 1162 O PRO A 89 -3.613 -11.518 -13.451 1.00 0.00 O ATOM 1163 CB PRO A 89 -0.703 -10.719 -14.853 1.00 0.00 C ATOM 1164 CG PRO A 89 0.251 -9.521 -15.156 1.00 0.00 C ATOM 1165 CD PRO A 89 -0.590 -8.235 -15.054 1.00 0.00 C ATOM 0 HA PRO A 89 -2.798 -10.464 -15.516 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.404 -11.226 -13.936 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.660 -11.457 -15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.078 -9.498 -14.446 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.687 -9.618 -16.150 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.207 -7.574 -14.276 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.568 -7.674 -15.988 1.00 0.00 H new ATOM 1173 N LYS A 90 -2.380 -10.072 -12.317 1.00 0.00 N ATOM 1174 CA LYS A 90 -2.977 -10.516 -11.029 1.00 0.00 C ATOM 1175 C LYS A 90 -3.049 -9.368 -10.032 1.00 0.00 C ATOM 1176 O LYS A 90 -2.040 -8.819 -9.640 1.00 0.00 O ATOM 1177 CB LYS A 90 -2.093 -11.629 -10.444 1.00 0.00 C ATOM 1178 CG LYS A 90 -2.560 -12.980 -10.991 1.00 0.00 C ATOM 1179 CD LYS A 90 -1.817 -14.103 -10.264 1.00 0.00 C ATOM 1180 CE LYS A 90 -2.449 -15.447 -10.641 1.00 0.00 C ATOM 1181 NZ LYS A 90 -1.474 -16.556 -10.443 1.00 0.00 N ATOM 0 H LYS A 90 -1.681 -9.332 -12.249 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.990 -10.874 -11.214 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.049 -11.457 -10.707 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.152 -11.623 -9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.635 -13.090 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.370 -13.037 -12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.762 -14.094 -10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.869 -13.952 -9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.336 -15.622 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.775 -15.423 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.918 -17.460 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.639 -16.396 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.183 -16.588 -9.445 1.00 0.00 H new ATOM 1195 N LEU A 91 -4.248 -9.031 -9.635 1.00 0.00 N ATOM 1196 CA LEU A 91 -4.412 -7.922 -8.663 1.00 0.00 C ATOM 1197 C LEU A 91 -4.345 -8.444 -7.232 1.00 0.00 C ATOM 1198 O LEU A 91 -3.929 -9.553 -6.964 1.00 0.00 O ATOM 1199 CB LEU A 91 -5.793 -7.279 -8.888 1.00 0.00 C ATOM 1200 CG LEU A 91 -5.847 -6.639 -10.283 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -4.748 -5.575 -10.401 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -5.633 -7.723 -11.350 1.00 0.00 C ATOM 0 H LEU A 91 -5.113 -9.475 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.612 -7.197 -8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.575 -8.032 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.982 -6.525 -8.124 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.820 -6.171 -10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.786 -5.121 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.902 -4.807 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.774 -6.040 -10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.671 -7.271 -12.341 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.660 -8.192 -11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.416 -8.477 -11.265 1.00 0.00 H new TER 1214 LEU A 91 HETATM 1215 MG MG A 601 8.353 11.233 -6.751 1.00 0.00 MG