USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 874 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 26 TYR OH : rot -175:sc= 1.3 USER MOD Set 1.2: A 39 THR OG1 : rot -162:sc= 1.01 USER MOD Set 2.1: A 28 GLN : amide:sc= 0.759 K(o=1.3,f=-0.12) USER MOD Set 2.2: A 37 ASN : amide:sc= 0.568 K(o=1.3,f=-0.82) USER MOD Set 3.1: A 4 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 61 ASN : amide:sc= 0.524 K(o=0.52,f=-3.4!) USER MOD Single : A 1 GLU N :NH3+ 179:sc= 1.22 (180deg=1.21) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -39:sc= 0.26 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.834 K(o=0.83,f=-0.13) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= 0.956 (180deg=0.768) USER MOD Single : A 64 GLN : amide:sc= -0.0405 K(o=-0.041,f=-1.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.662) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.402 K(o=0.4,f=-4.8!) USER MOD Single : A 77 ASN : amide:sc= 0.635 K(o=0.63,f=-0.28) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -153:sc= 0.226 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -130:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.056 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.00449 X(o=-0.0045,f=-0.0045) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -19.403 -4.576 16.880 1.00 0.00 N ATOM 2 CA GLU A 1 -18.204 -4.878 16.057 1.00 0.00 C ATOM 3 C GLU A 1 -17.877 -6.374 16.068 1.00 0.00 C ATOM 4 O GLU A 1 -18.309 -7.104 16.959 1.00 0.00 O ATOM 5 CB GLU A 1 -16.974 -4.053 16.504 1.00 0.00 C ATOM 6 CG GLU A 1 -16.920 -2.632 15.908 1.00 0.00 C ATOM 7 CD GLU A 1 -17.847 -1.619 16.604 1.00 0.00 C ATOM 8 OE1 GLU A 1 -19.082 -1.848 16.653 1.00 0.00 O ATOM 9 OE2 GLU A 1 -17.339 -0.575 17.078 1.00 0.00 O ATOM 0 H1 GLU A 1 -19.586 -3.552 16.864 1.00 0.00 H new ATOM 0 H2 GLU A 1 -20.226 -5.081 16.493 1.00 0.00 H new ATOM 0 H3 GLU A 1 -19.238 -4.883 17.860 1.00 0.00 H new ATOM 0 HA GLU A 1 -18.446 -4.589 15.034 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -16.975 -3.980 17.592 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -16.068 -4.589 16.221 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -15.895 -2.266 15.963 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -17.184 -2.683 14.852 1.00 0.00 H new ATOM 18 N GLU A 2 -17.127 -6.850 15.070 1.00 0.00 N ATOM 19 CA GLU A 2 -16.721 -8.259 14.909 1.00 0.00 C ATOM 20 C GLU A 2 -15.308 -8.386 14.304 1.00 0.00 C ATOM 21 O GLU A 2 -14.788 -7.431 13.715 1.00 0.00 O ATOM 22 CB GLU A 2 -17.763 -9.015 14.061 1.00 0.00 C ATOM 23 CG GLU A 2 -17.886 -8.512 12.614 1.00 0.00 C ATOM 24 CD GLU A 2 -18.989 -9.278 11.858 1.00 0.00 C ATOM 25 OE1 GLU A 2 -18.704 -10.360 11.288 1.00 0.00 O ATOM 26 OE2 GLU A 2 -20.151 -8.801 11.822 1.00 0.00 O ATOM 0 H GLU A 2 -16.772 -6.250 14.325 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.679 -8.713 15.899 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.502 -10.073 14.044 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.736 -8.934 14.545 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.112 -7.446 12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.933 -8.636 12.099 1.00 0.00 H new ATOM 33 N LYS A 3 -14.685 -9.567 14.446 1.00 0.00 N ATOM 34 CA LYS A 3 -13.289 -9.849 14.051 1.00 0.00 C ATOM 35 C LYS A 3 -13.132 -11.260 13.465 1.00 0.00 C ATOM 36 O LYS A 3 -13.873 -12.179 13.820 1.00 0.00 O ATOM 37 CB LYS A 3 -12.358 -9.699 15.273 1.00 0.00 C ATOM 38 CG LYS A 3 -12.300 -8.260 15.814 1.00 0.00 C ATOM 39 CD LYS A 3 -11.378 -8.109 17.030 1.00 0.00 C ATOM 40 CE LYS A 3 -9.898 -8.326 16.688 1.00 0.00 C ATOM 41 NZ LYS A 3 -9.029 -8.078 17.869 1.00 0.00 N ATOM 0 H LYS A 3 -15.150 -10.379 14.851 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.016 -9.130 13.279 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.698 -10.365 16.066 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.353 -10.018 14.998 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.958 -7.594 15.022 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.306 -7.940 16.087 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.505 -7.113 17.455 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.677 -8.823 17.797 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.750 -9.346 16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.609 -7.660 15.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.035 -8.233 17.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.154 -7.097 18.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.290 -8.731 18.635 1.00 0.00 H new ATOM 55 N TYR A 4 -12.136 -11.420 12.593 1.00 0.00 N ATOM 56 CA TYR A 4 -11.736 -12.671 11.939 1.00 0.00 C ATOM 57 C TYR A 4 -10.256 -12.603 11.501 1.00 0.00 C ATOM 58 O TYR A 4 -9.541 -11.667 11.876 1.00 0.00 O ATOM 59 CB TYR A 4 -12.697 -12.966 10.772 1.00 0.00 C ATOM 60 CG TYR A 4 -12.598 -12.053 9.561 1.00 0.00 C ATOM 61 CD1 TYR A 4 -13.130 -10.748 9.602 1.00 0.00 C ATOM 62 CD2 TYR A 4 -12.013 -12.529 8.372 1.00 0.00 C ATOM 63 CE1 TYR A 4 -13.071 -9.923 8.461 1.00 0.00 C ATOM 64 CE2 TYR A 4 -11.950 -11.710 7.229 1.00 0.00 C ATOM 65 CZ TYR A 4 -12.486 -10.407 7.267 1.00 0.00 C ATOM 66 OH TYR A 4 -12.448 -9.643 6.143 1.00 0.00 O ATOM 0 H TYR A 4 -11.551 -10.635 12.306 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.808 -13.502 12.641 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.526 -13.990 10.441 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -13.718 -12.919 11.151 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -13.584 -10.380 10.510 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.610 -13.530 8.337 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.472 -8.921 8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.491 -12.080 6.324 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.007 -10.141 5.423 1.00 0.00 H new ATOM 76 N THR A 5 -9.771 -13.580 10.726 1.00 0.00 N ATOM 77 CA THR A 5 -8.356 -13.706 10.312 1.00 0.00 C ATOM 78 C THR A 5 -8.184 -13.845 8.790 1.00 0.00 C ATOM 79 O THR A 5 -9.130 -14.156 8.064 1.00 0.00 O ATOM 80 CB THR A 5 -7.662 -14.879 11.032 1.00 0.00 C ATOM 81 OG1 THR A 5 -8.239 -16.106 10.646 1.00 0.00 O ATOM 82 CG2 THR A 5 -7.750 -14.785 12.557 1.00 0.00 C ATOM 0 H THR A 5 -10.360 -14.326 10.357 1.00 0.00 H new ATOM 0 HA THR A 5 -7.876 -12.773 10.608 1.00 0.00 H new ATOM 0 HB THR A 5 -6.613 -14.824 10.740 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.786 -16.841 11.110 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.243 -15.640 13.004 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.274 -13.864 12.893 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.797 -14.784 12.862 1.00 0.00 H new ATOM 90 N THR A 6 -6.963 -13.593 8.296 1.00 0.00 N ATOM 91 CA THR A 6 -6.639 -13.485 6.853 1.00 0.00 C ATOM 92 C THR A 6 -5.392 -14.300 6.455 1.00 0.00 C ATOM 93 O THR A 6 -4.711 -14.000 5.472 1.00 0.00 O ATOM 94 CB THR A 6 -6.569 -11.995 6.448 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.563 -11.841 5.047 1.00 0.00 O ATOM 96 CG2 THR A 6 -5.360 -11.237 7.007 1.00 0.00 C ATOM 0 H THR A 6 -6.150 -13.454 8.896 1.00 0.00 H new ATOM 0 HA THR A 6 -7.444 -13.944 6.279 1.00 0.00 H new ATOM 0 HB THR A 6 -7.467 -11.563 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.012 -12.543 4.643 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.394 -10.200 6.672 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.384 -11.267 8.096 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.442 -11.704 6.651 1.00 0.00 H new ATOM 104 N LYS A 7 -5.064 -15.336 7.241 1.00 0.00 N ATOM 105 CA LYS A 7 -4.012 -16.327 6.941 1.00 0.00 C ATOM 106 C LYS A 7 -4.314 -17.101 5.652 1.00 0.00 C ATOM 107 O LYS A 7 -5.312 -17.814 5.566 1.00 0.00 O ATOM 108 CB LYS A 7 -3.759 -17.265 8.148 1.00 0.00 C ATOM 109 CG LYS A 7 -4.943 -17.626 9.078 1.00 0.00 C ATOM 110 CD LYS A 7 -6.129 -18.392 8.461 1.00 0.00 C ATOM 111 CE LYS A 7 -5.765 -19.765 7.873 1.00 0.00 C ATOM 112 NZ LYS A 7 -5.389 -20.756 8.917 1.00 0.00 N ATOM 0 H LYS A 7 -5.534 -15.515 8.128 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.085 -15.782 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.349 -18.197 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.984 -16.808 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.552 -18.221 9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.328 -16.700 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.894 -18.530 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.571 -17.780 7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.612 -20.148 7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.937 -19.648 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.153 -21.663 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.564 -20.407 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.187 -20.891 9.571 1.00 0.00 H new ATOM 126 N TYR A 8 -3.419 -17.009 4.675 1.00 0.00 N ATOM 127 CA TYR A 8 -3.500 -17.751 3.413 1.00 0.00 C ATOM 128 C TYR A 8 -2.102 -18.248 3.027 1.00 0.00 C ATOM 129 O TYR A 8 -1.166 -17.455 2.963 1.00 0.00 O ATOM 130 CB TYR A 8 -4.103 -16.853 2.319 1.00 0.00 C ATOM 131 CG TYR A 8 -5.515 -16.349 2.594 1.00 0.00 C ATOM 132 CD1 TYR A 8 -6.574 -17.263 2.772 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.772 -14.965 2.675 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.882 -16.800 3.015 1.00 0.00 C ATOM 135 CE2 TYR A 8 -7.080 -14.497 2.911 1.00 0.00 C ATOM 136 CZ TYR A 8 -8.139 -15.414 3.082 1.00 0.00 C ATOM 137 OH TYR A 8 -9.406 -14.973 3.317 1.00 0.00 O ATOM 0 H TYR A 8 -2.599 -16.406 4.735 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.151 -18.618 3.529 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.449 -15.993 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.109 -17.407 1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.381 -18.324 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.962 -14.260 2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.688 -17.506 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.272 -13.435 2.961 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.413 -13.993 3.334 1.00 0.00 H new ATOM 147 N ASP A 9 -1.951 -19.563 2.824 1.00 0.00 N ATOM 148 CA ASP A 9 -0.665 -20.255 2.595 1.00 0.00 C ATOM 149 C ASP A 9 0.456 -19.858 3.591 1.00 0.00 C ATOM 150 O ASP A 9 1.625 -19.718 3.222 1.00 0.00 O ATOM 151 CB ASP A 9 -0.256 -20.129 1.114 1.00 0.00 C ATOM 152 CG ASP A 9 -1.286 -20.770 0.172 1.00 0.00 C ATOM 153 OD1 ASP A 9 -1.440 -22.016 0.203 1.00 0.00 O ATOM 154 OD2 ASP A 9 -1.933 -20.040 -0.617 1.00 0.00 O ATOM 0 H ASP A 9 -2.746 -20.202 2.813 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.820 -21.312 2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.139 -19.076 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.714 -20.603 0.965 1.00 0.00 H new ATOM 159 N ASN A 10 0.090 -19.670 4.869 1.00 0.00 N ATOM 160 CA ASN A 10 0.960 -19.196 5.959 1.00 0.00 C ATOM 161 C ASN A 10 1.603 -17.819 5.696 1.00 0.00 C ATOM 162 O ASN A 10 2.799 -17.611 5.928 1.00 0.00 O ATOM 163 CB ASN A 10 1.948 -20.303 6.389 1.00 0.00 C ATOM 164 CG ASN A 10 1.256 -21.580 6.839 1.00 0.00 C ATOM 165 OD1 ASN A 10 1.037 -22.509 6.073 1.00 0.00 O ATOM 166 ND2 ASN A 10 0.883 -21.671 8.098 1.00 0.00 N ATOM 0 H ASN A 10 -0.862 -19.852 5.185 1.00 0.00 H new ATOM 0 HA ASN A 10 0.324 -18.997 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.613 -20.532 5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.572 -19.929 7.201 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.414 -22.513 8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.063 -20.899 8.740 1.00 0.00 H new ATOM 173 N VAL A 11 0.783 -16.861 5.249 1.00 0.00 N ATOM 174 CA VAL A 11 1.153 -15.452 5.040 1.00 0.00 C ATOM 175 C VAL A 11 0.029 -14.532 5.521 1.00 0.00 C ATOM 176 O VAL A 11 -1.150 -14.894 5.469 1.00 0.00 O ATOM 177 CB VAL A 11 1.473 -15.130 3.561 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.482 -13.979 3.505 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.073 -16.293 2.766 1.00 0.00 C ATOM 0 H VAL A 11 -0.191 -17.050 5.014 1.00 0.00 H new ATOM 0 HA VAL A 11 2.059 -15.280 5.621 1.00 0.00 H new ATOM 0 HB VAL A 11 0.514 -14.884 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.712 -13.747 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.057 -13.099 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.396 -14.271 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.264 -15.973 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.009 -16.605 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.374 -17.129 2.761 1.00 0.00 H new ATOM 189 N ASN A 12 0.405 -13.337 5.977 1.00 0.00 N ATOM 190 CA ASN A 12 -0.478 -12.319 6.547 1.00 0.00 C ATOM 191 C ASN A 12 0.033 -10.905 6.249 1.00 0.00 C ATOM 192 O ASN A 12 1.202 -10.710 5.911 1.00 0.00 O ATOM 193 CB ASN A 12 -0.509 -12.497 8.074 1.00 0.00 C ATOM 194 CG ASN A 12 -1.207 -13.770 8.521 1.00 0.00 C ATOM 195 OD1 ASN A 12 -0.591 -14.791 8.790 1.00 0.00 O ATOM 196 ND2 ASN A 12 -2.515 -13.755 8.614 1.00 0.00 N ATOM 0 H ASN A 12 1.380 -13.038 5.958 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.467 -12.439 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.513 -12.500 8.452 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.012 -11.640 8.522 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.015 -14.593 8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.032 -12.905 8.390 1.00 0.00 H new ATOM 203 N LEU A 13 -0.821 -9.907 6.501 1.00 0.00 N ATOM 204 CA LEU A 13 -0.467 -8.488 6.462 1.00 0.00 C ATOM 205 C LEU A 13 0.794 -8.152 7.250 1.00 0.00 C ATOM 206 O LEU A 13 1.673 -7.506 6.702 1.00 0.00 O ATOM 207 CB LEU A 13 -1.658 -7.654 6.971 1.00 0.00 C ATOM 208 CG LEU A 13 -2.306 -6.862 5.835 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.606 -6.237 6.344 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.406 -5.717 5.369 1.00 0.00 C ATOM 0 H LEU A 13 -1.799 -10.069 6.743 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.244 -8.241 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.398 -8.312 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.319 -6.969 7.748 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.481 -7.549 5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.076 -5.670 5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.283 -7.024 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.387 -5.571 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.897 -5.174 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.220 -5.038 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.459 -6.121 5.012 1.00 0.00 H new ATOM 222 N ASP A 14 0.940 -8.631 8.486 1.00 0.00 N ATOM 223 CA ASP A 14 2.134 -8.372 9.306 1.00 0.00 C ATOM 224 C ASP A 14 3.460 -8.794 8.643 1.00 0.00 C ATOM 225 O ASP A 14 4.507 -8.222 8.939 1.00 0.00 O ATOM 226 CB ASP A 14 1.979 -9.033 10.674 1.00 0.00 C ATOM 227 CG ASP A 14 0.938 -8.299 11.533 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.179 -7.128 11.913 1.00 0.00 O ATOM 229 OD2 ASP A 14 -0.143 -8.876 11.805 1.00 0.00 O ATOM 0 H ASP A 14 0.239 -9.208 8.950 1.00 0.00 H new ATOM 0 HA ASP A 14 2.199 -7.290 9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.680 -10.073 10.546 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.940 -9.039 11.189 1.00 0.00 H new ATOM 234 N GLU A 15 3.422 -9.760 7.721 1.00 0.00 N ATOM 235 CA GLU A 15 4.562 -10.147 6.886 1.00 0.00 C ATOM 236 C GLU A 15 4.758 -9.178 5.703 1.00 0.00 C ATOM 237 O GLU A 15 5.889 -8.883 5.333 1.00 0.00 O ATOM 238 CB GLU A 15 4.350 -11.585 6.369 1.00 0.00 C ATOM 239 CG GLU A 15 5.651 -12.307 5.989 1.00 0.00 C ATOM 240 CD GLU A 15 6.395 -12.847 7.227 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.033 -12.057 7.963 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.346 -14.077 7.477 1.00 0.00 O ATOM 0 H GLU A 15 2.581 -10.305 7.531 1.00 0.00 H new ATOM 0 HA GLU A 15 5.464 -10.102 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.835 -12.164 7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.695 -11.555 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.424 -13.132 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.301 -11.621 5.446 1.00 0.00 H new ATOM 249 N ILE A 16 3.676 -8.632 5.136 1.00 0.00 N ATOM 250 CA ILE A 16 3.709 -7.727 3.964 1.00 0.00 C ATOM 251 C ILE A 16 4.561 -6.484 4.236 1.00 0.00 C ATOM 252 O ILE A 16 5.558 -6.269 3.547 1.00 0.00 O ATOM 253 CB ILE A 16 2.263 -7.420 3.468 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.606 -8.698 2.898 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.145 -6.298 2.430 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.380 -9.332 1.722 1.00 0.00 C ATOM 0 H ILE A 16 2.731 -8.805 5.480 1.00 0.00 H new ATOM 0 HA ILE A 16 4.209 -8.232 3.137 1.00 0.00 H new ATOM 0 HB ILE A 16 1.743 -7.064 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.513 -9.434 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.596 -8.458 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.099 -6.167 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.528 -5.369 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.724 -6.559 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.855 -10.223 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.450 -8.615 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.382 -9.606 2.052 1.00 0.00 H new ATOM 268 N LEU A 17 4.265 -5.721 5.291 1.00 0.00 N ATOM 269 CA LEU A 17 5.085 -4.563 5.681 1.00 0.00 C ATOM 270 C LEU A 17 6.470 -4.938 6.260 1.00 0.00 C ATOM 271 O LEU A 17 7.391 -4.121 6.192 1.00 0.00 O ATOM 272 CB LEU A 17 4.311 -3.700 6.689 1.00 0.00 C ATOM 273 CG LEU A 17 3.617 -4.479 7.831 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.582 -3.596 9.059 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.145 -4.779 7.566 1.00 0.00 C ATOM 0 H LEU A 17 3.460 -5.883 5.896 1.00 0.00 H new ATOM 0 HA LEU A 17 5.283 -4.004 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.000 -2.979 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.555 -3.130 6.149 1.00 0.00 H new ATOM 0 HG LEU A 17 4.179 -5.407 7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.096 -4.129 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.600 -3.337 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.025 -2.686 8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.728 -5.327 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.601 -3.844 7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.053 -5.381 6.662 1.00 0.00 H new ATOM 287 N ALA A 18 6.638 -6.138 6.831 1.00 0.00 N ATOM 288 CA ALA A 18 7.914 -6.594 7.403 1.00 0.00 C ATOM 289 C ALA A 18 8.938 -7.012 6.339 1.00 0.00 C ATOM 290 O ALA A 18 10.146 -6.844 6.526 1.00 0.00 O ATOM 291 CB ALA A 18 7.654 -7.807 8.299 1.00 0.00 C ATOM 0 H ALA A 18 5.888 -6.825 6.910 1.00 0.00 H new ATOM 0 HA ALA A 18 8.327 -5.751 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.595 -8.151 8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.971 -7.527 9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.210 -8.608 7.708 1.00 0.00 H new ATOM 297 N ASN A 19 8.451 -7.580 5.236 1.00 0.00 N ATOM 298 CA ASN A 19 9.246 -8.288 4.241 1.00 0.00 C ATOM 299 C ASN A 19 9.113 -7.565 2.894 1.00 0.00 C ATOM 300 O ASN A 19 8.262 -7.884 2.064 1.00 0.00 O ATOM 301 CB ASN A 19 8.830 -9.781 4.220 1.00 0.00 C ATOM 302 CG ASN A 19 9.953 -10.727 4.586 1.00 0.00 C ATOM 303 OD1 ASN A 19 9.932 -11.419 5.592 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.970 -10.794 3.762 1.00 0.00 N ATOM 0 H ASN A 19 7.458 -7.557 5.006 1.00 0.00 H new ATOM 0 HA ASN A 19 10.308 -8.281 4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.001 -9.929 4.913 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.463 -10.033 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.746 -11.425 3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.985 -10.215 2.922 1.00 0.00 H new ATOM 311 N ASP A 20 9.961 -6.559 2.673 1.00 0.00 N ATOM 312 CA ASP A 20 9.924 -5.702 1.481 1.00 0.00 C ATOM 313 C ASP A 20 9.992 -6.467 0.147 1.00 0.00 C ATOM 314 O ASP A 20 9.446 -5.999 -0.849 1.00 0.00 O ATOM 315 CB ASP A 20 11.042 -4.653 1.550 1.00 0.00 C ATOM 316 CG ASP A 20 12.449 -5.247 1.352 1.00 0.00 C ATOM 317 OD1 ASP A 20 12.956 -5.927 2.274 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.043 -5.035 0.269 1.00 0.00 O ATOM 0 H ASP A 20 10.705 -6.311 3.325 1.00 0.00 H new ATOM 0 HA ASP A 20 8.948 -5.216 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.865 -3.894 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.000 -4.151 2.516 1.00 0.00 H new ATOM 323 N ARG A 21 10.603 -7.659 0.120 1.00 0.00 N ATOM 324 CA ARG A 21 10.584 -8.569 -1.044 1.00 0.00 C ATOM 325 C ARG A 21 9.168 -8.993 -1.461 1.00 0.00 C ATOM 326 O ARG A 21 8.900 -9.114 -2.657 1.00 0.00 O ATOM 327 CB ARG A 21 11.444 -9.817 -0.775 1.00 0.00 C ATOM 328 CG ARG A 21 12.941 -9.497 -0.645 1.00 0.00 C ATOM 329 CD ARG A 21 13.753 -10.795 -0.552 1.00 0.00 C ATOM 330 NE ARG A 21 15.201 -10.521 -0.469 1.00 0.00 N ATOM 331 CZ ARG A 21 16.186 -11.279 -0.921 1.00 0.00 C ATOM 332 NH1 ARG A 21 15.971 -12.416 -1.519 1.00 0.00 N ATOM 333 NH2 ARG A 21 17.425 -10.903 -0.780 1.00 0.00 N ATOM 0 H ARG A 21 11.131 -8.027 0.911 1.00 0.00 H new ATOM 0 HA ARG A 21 11.005 -8.003 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.100 -10.298 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.300 -10.532 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.272 -8.913 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.114 -8.886 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.438 -11.361 0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.548 -11.417 -1.423 1.00 0.00 H new ATOM 0 HE ARG A 21 15.472 -9.650 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.016 -12.750 -1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.757 -12.973 -1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.640 -10.019 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.180 -11.492 -1.131 1.00 0.00 H new ATOM 347 N LEU A 22 8.256 -9.174 -0.499 1.00 0.00 N ATOM 348 CA LEU A 22 6.819 -9.340 -0.752 1.00 0.00 C ATOM 349 C LEU A 22 6.224 -8.001 -1.202 1.00 0.00 C ATOM 350 O LEU A 22 5.575 -7.924 -2.242 1.00 0.00 O ATOM 351 CB LEU A 22 6.083 -9.825 0.518 1.00 0.00 C ATOM 352 CG LEU A 22 6.617 -11.125 1.144 1.00 0.00 C ATOM 353 CD1 LEU A 22 6.011 -11.351 2.527 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.274 -12.344 0.294 1.00 0.00 C ATOM 0 H LEU A 22 8.498 -9.210 0.491 1.00 0.00 H new ATOM 0 HA LEU A 22 6.692 -10.090 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.132 -9.035 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.030 -9.967 0.274 1.00 0.00 H new ATOM 0 HG LEU A 22 7.699 -11.011 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.403 -12.276 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.270 -10.516 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.927 -11.422 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.668 -13.242 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.191 -12.429 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.717 -12.234 -0.696 1.00 0.00 H new ATOM 366 N LEU A 23 6.496 -6.933 -0.442 1.00 0.00 N ATOM 367 CA LEU A 23 5.934 -5.598 -0.661 1.00 0.00 C ATOM 368 C LEU A 23 6.175 -5.088 -2.099 1.00 0.00 C ATOM 369 O LEU A 23 5.246 -4.620 -2.753 1.00 0.00 O ATOM 370 CB LEU A 23 6.497 -4.638 0.412 1.00 0.00 C ATOM 371 CG LEU A 23 5.572 -3.485 0.817 1.00 0.00 C ATOM 372 CD1 LEU A 23 4.955 -2.763 -0.373 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.471 -4.012 1.722 1.00 0.00 C ATOM 0 H LEU A 23 7.126 -6.976 0.359 1.00 0.00 H new ATOM 0 HA LEU A 23 4.850 -5.646 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.737 -5.218 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.433 -4.218 0.043 1.00 0.00 H new ATOM 0 HG LEU A 23 6.187 -2.755 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.312 -1.959 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.746 -2.346 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.365 -3.467 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.813 -3.192 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.895 -4.770 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.914 -4.453 2.615 1.00 0.00 H new ATOM 385 N ASN A 24 7.389 -5.254 -2.636 1.00 0.00 N ATOM 386 CA ASN A 24 7.769 -4.846 -3.999 1.00 0.00 C ATOM 387 C ASN A 24 6.827 -5.401 -5.086 1.00 0.00 C ATOM 388 O ASN A 24 6.546 -4.707 -6.062 1.00 0.00 O ATOM 389 CB ASN A 24 9.232 -5.240 -4.277 1.00 0.00 C ATOM 390 CG ASN A 24 10.208 -4.155 -3.849 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.664 -3.342 -4.638 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.546 -4.089 -2.585 1.00 0.00 N ATOM 0 H ASN A 24 8.157 -5.687 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 24 7.671 -3.762 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.464 -6.165 -3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.357 -5.440 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.186 -3.362 -2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.169 -4.765 -1.920 1.00 0.00 H new ATOM 399 N LYS A 25 6.283 -6.609 -4.894 1.00 0.00 N ATOM 400 CA LYS A 25 5.302 -7.239 -5.797 1.00 0.00 C ATOM 401 C LYS A 25 3.926 -6.565 -5.695 1.00 0.00 C ATOM 402 O LYS A 25 3.287 -6.291 -6.710 1.00 0.00 O ATOM 403 CB LYS A 25 5.234 -8.739 -5.455 1.00 0.00 C ATOM 404 CG LYS A 25 4.436 -9.555 -6.482 1.00 0.00 C ATOM 405 CD LYS A 25 4.251 -11.024 -6.058 1.00 0.00 C ATOM 406 CE LYS A 25 5.553 -11.817 -5.851 1.00 0.00 C ATOM 407 NZ LYS A 25 6.298 -12.034 -7.120 1.00 0.00 N ATOM 0 H LYS A 25 6.515 -7.192 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 25 5.618 -7.115 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.247 -9.137 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.781 -8.861 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.458 -9.096 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.947 -9.520 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.679 -11.048 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.653 -11.531 -6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.191 -11.284 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.319 -12.782 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.166 -12.572 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.702 -12.567 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.547 -11.115 -7.538 1.00 0.00 H new ATOM 421 N TYR A 26 3.502 -6.241 -4.472 1.00 0.00 N ATOM 422 CA TYR A 26 2.239 -5.555 -4.176 1.00 0.00 C ATOM 423 C TYR A 26 2.220 -4.119 -4.727 1.00 0.00 C ATOM 424 O TYR A 26 1.205 -3.695 -5.274 1.00 0.00 O ATOM 425 CB TYR A 26 1.972 -5.566 -2.657 1.00 0.00 C ATOM 426 CG TYR A 26 1.452 -6.882 -2.095 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.210 -8.065 -2.193 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.195 -6.922 -1.462 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.699 -9.285 -1.711 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.315 -8.134 -0.958 1.00 0.00 C ATOM 431 CZ TYR A 26 0.424 -9.326 -1.106 1.00 0.00 C ATOM 432 OH TYR A 26 -0.090 -10.514 -0.698 1.00 0.00 O ATOM 0 H TYR A 26 4.043 -6.454 -3.634 1.00 0.00 H new ATOM 0 HA TYR A 26 1.439 -6.099 -4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.897 -5.310 -2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.251 -4.782 -2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.192 -8.036 -2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.383 -6.015 -1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.282 -10.189 -1.804 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.272 -8.151 -0.458 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.006 -10.381 -0.375 1.00 0.00 H new ATOM 442 N VAL A 27 3.337 -3.382 -4.654 1.00 0.00 N ATOM 443 CA VAL A 27 3.453 -2.033 -5.255 1.00 0.00 C ATOM 444 C VAL A 27 3.610 -2.080 -6.770 1.00 0.00 C ATOM 445 O VAL A 27 2.974 -1.292 -7.462 1.00 0.00 O ATOM 446 CB VAL A 27 4.573 -1.179 -4.628 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.249 -0.933 -3.159 1.00 0.00 C ATOM 448 CG2 VAL A 27 5.954 -1.825 -4.698 1.00 0.00 C ATOM 0 H VAL A 27 4.184 -3.696 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 27 2.506 -1.544 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 27 4.612 -0.256 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.037 -0.329 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.298 -0.406 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.180 -1.887 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.688 -1.165 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.938 -2.777 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.223 -1.996 -5.740 1.00 0.00 H new ATOM 458 N GLN A 28 4.347 -3.047 -7.326 1.00 0.00 N ATOM 459 CA GLN A 28 4.453 -3.261 -8.781 1.00 0.00 C ATOM 460 C GLN A 28 3.084 -3.324 -9.486 1.00 0.00 C ATOM 461 O GLN A 28 2.980 -2.912 -10.638 1.00 0.00 O ATOM 462 CB GLN A 28 5.223 -4.562 -9.053 1.00 0.00 C ATOM 463 CG GLN A 28 6.627 -4.344 -9.633 1.00 0.00 C ATOM 464 CD GLN A 28 7.586 -5.493 -9.314 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.577 -5.338 -8.613 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.353 -6.688 -9.818 1.00 0.00 N ATOM 0 H GLN A 28 4.893 -3.711 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 28 4.984 -2.401 -9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.308 -5.124 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.646 -5.176 -9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.554 -4.227 -10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.037 -3.414 -9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.534 -6.843 -10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.992 -7.458 -9.621 1.00 0.00 H new ATOM 475 N CYS A 29 2.035 -3.767 -8.780 1.00 0.00 N ATOM 476 CA CYS A 29 0.643 -3.781 -9.243 1.00 0.00 C ATOM 477 C CYS A 29 0.108 -2.431 -9.766 1.00 0.00 C ATOM 478 O CYS A 29 -0.806 -2.410 -10.593 1.00 0.00 O ATOM 479 CB CYS A 29 -0.228 -4.294 -8.088 1.00 0.00 C ATOM 480 SG CYS A 29 -2.000 -4.527 -8.405 1.00 0.00 S ATOM 0 H CYS A 29 2.138 -4.139 -7.836 1.00 0.00 H new ATOM 0 HA CYS A 29 0.602 -4.437 -10.113 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.182 -5.248 -7.758 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.125 -3.598 -7.256 1.00 0.00 H new ATOM 485 N LEU A 30 0.689 -1.310 -9.318 1.00 0.00 N ATOM 486 CA LEU A 30 0.389 0.035 -9.819 1.00 0.00 C ATOM 487 C LEU A 30 1.636 0.856 -10.222 1.00 0.00 C ATOM 488 O LEU A 30 1.499 1.880 -10.892 1.00 0.00 O ATOM 489 CB LEU A 30 -0.580 0.774 -8.862 1.00 0.00 C ATOM 490 CG LEU A 30 -0.214 1.005 -7.376 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.319 -0.248 -6.500 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.181 1.589 -7.199 1.00 0.00 C ATOM 0 H LEU A 30 1.395 -1.315 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.134 -0.088 -10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.774 1.754 -9.299 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.522 0.226 -8.877 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.964 1.721 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.046 0.001 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.342 -0.623 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.356 -1.015 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.384 1.730 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.918 0.906 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.241 2.550 -7.711 1.00 0.00 H new ATOM 504 N LEU A 31 2.845 0.405 -9.859 1.00 0.00 N ATOM 505 CA LEU A 31 4.125 1.012 -10.250 1.00 0.00 C ATOM 506 C LEU A 31 4.506 0.633 -11.696 1.00 0.00 C ATOM 507 O LEU A 31 4.862 1.511 -12.483 1.00 0.00 O ATOM 508 CB LEU A 31 5.194 0.658 -9.177 1.00 0.00 C ATOM 509 CG LEU A 31 6.570 0.118 -9.618 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.441 1.183 -10.272 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.338 -0.411 -8.406 1.00 0.00 C ATOM 0 H LEU A 31 2.963 -0.417 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 31 4.047 2.099 -10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.371 1.556 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.753 -0.082 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 31 6.366 -0.669 -10.344 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.396 0.745 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.937 1.572 -11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.614 1.996 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.308 -0.790 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.483 0.395 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.771 -1.216 -7.939 1.00 0.00 H new ATOM 523 N GLU A 32 4.411 -0.648 -12.071 1.00 0.00 N ATOM 524 CA GLU A 32 4.793 -1.111 -13.413 1.00 0.00 C ATOM 525 C GLU A 32 3.655 -0.967 -14.445 1.00 0.00 C ATOM 526 O GLU A 32 2.485 -0.779 -14.102 1.00 0.00 O ATOM 527 CB GLU A 32 5.298 -2.568 -13.365 1.00 0.00 C ATOM 528 CG GLU A 32 6.772 -2.678 -12.943 1.00 0.00 C ATOM 529 CD GLU A 32 7.758 -1.960 -13.891 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.480 -1.840 -15.110 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.833 -1.518 -13.418 1.00 0.00 O ATOM 0 H GLU A 32 4.070 -1.389 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 32 5.603 -0.463 -13.746 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.683 -3.137 -12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.172 -3.023 -14.347 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.883 -2.264 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.044 -3.732 -12.885 1.00 0.00 H new ATOM 538 N ASP A 33 3.999 -1.092 -15.731 1.00 0.00 N ATOM 539 CA ASP A 33 3.067 -1.046 -16.871 1.00 0.00 C ATOM 540 C ASP A 33 2.190 -2.316 -17.038 1.00 0.00 C ATOM 541 O ASP A 33 1.454 -2.435 -18.021 1.00 0.00 O ATOM 542 CB ASP A 33 3.865 -0.754 -18.154 1.00 0.00 C ATOM 543 CG ASP A 33 4.450 0.670 -18.163 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.668 1.645 -18.284 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.692 0.822 -18.076 1.00 0.00 O ATOM 0 H ASP A 33 4.967 -1.233 -16.021 1.00 0.00 H new ATOM 0 HA ASP A 33 2.356 -0.246 -16.668 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.674 -1.478 -18.249 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.217 -0.884 -19.021 1.00 0.00 H new ATOM 550 N ASP A 34 2.235 -3.266 -16.094 1.00 0.00 N ATOM 551 CA ASP A 34 1.469 -4.521 -16.120 1.00 0.00 C ATOM 552 C ASP A 34 0.887 -4.910 -14.749 1.00 0.00 C ATOM 553 O ASP A 34 1.534 -4.818 -13.704 1.00 0.00 O ATOM 554 CB ASP A 34 2.300 -5.681 -16.706 1.00 0.00 C ATOM 555 CG ASP A 34 3.757 -5.764 -16.208 1.00 0.00 C ATOM 556 OD1 ASP A 34 4.016 -6.457 -15.196 1.00 0.00 O ATOM 557 OD2 ASP A 34 4.657 -5.184 -16.862 1.00 0.00 O ATOM 0 H ASP A 34 2.824 -3.180 -15.265 1.00 0.00 H new ATOM 0 HA ASP A 34 0.621 -4.333 -16.778 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.799 -6.620 -16.471 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.309 -5.587 -17.792 1.00 0.00 H new ATOM 562 N GLU A 35 -0.353 -5.408 -14.777 1.00 0.00 N ATOM 563 CA GLU A 35 -1.090 -5.914 -13.608 1.00 0.00 C ATOM 564 C GLU A 35 -0.834 -7.403 -13.308 1.00 0.00 C ATOM 565 O GLU A 35 -1.402 -7.964 -12.371 1.00 0.00 O ATOM 566 CB GLU A 35 -2.589 -5.564 -13.730 1.00 0.00 C ATOM 567 CG GLU A 35 -3.300 -5.986 -15.028 1.00 0.00 C ATOM 568 CD GLU A 35 -3.445 -7.511 -15.185 1.00 0.00 C ATOM 569 OE1 GLU A 35 -4.390 -8.101 -14.605 1.00 0.00 O ATOM 570 OE2 GLU A 35 -2.637 -8.122 -15.925 1.00 0.00 O ATOM 0 H GLU A 35 -0.892 -5.473 -15.641 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.697 -5.401 -12.730 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.114 -6.022 -12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.695 -4.485 -13.621 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.290 -5.531 -15.054 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.746 -5.593 -15.880 1.00 0.00 H new ATOM 577 N SER A 36 0.083 -8.033 -14.049 1.00 0.00 N ATOM 578 CA SER A 36 0.533 -9.420 -13.815 1.00 0.00 C ATOM 579 C SER A 36 1.081 -9.634 -12.390 1.00 0.00 C ATOM 580 O SER A 36 0.971 -10.718 -11.812 1.00 0.00 O ATOM 581 CB SER A 36 1.616 -9.764 -14.844 1.00 0.00 C ATOM 582 OG SER A 36 1.946 -11.144 -14.826 1.00 0.00 O ATOM 0 H SER A 36 0.545 -7.591 -14.844 1.00 0.00 H new ATOM 0 HA SER A 36 -0.330 -10.077 -13.923 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.271 -9.487 -15.840 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.510 -9.175 -14.640 1.00 0.00 H new ATOM 0 HG SER A 36 2.638 -11.324 -15.496 1.00 0.00 H new ATOM 588 N ASN A 37 1.634 -8.568 -11.802 1.00 0.00 N ATOM 589 CA ASN A 37 2.199 -8.525 -10.452 1.00 0.00 C ATOM 590 C ASN A 37 1.145 -8.609 -9.327 1.00 0.00 C ATOM 591 O ASN A 37 1.481 -8.973 -8.200 1.00 0.00 O ATOM 592 CB ASN A 37 2.989 -7.210 -10.318 1.00 0.00 C ATOM 593 CG ASN A 37 4.009 -7.025 -11.428 1.00 0.00 C ATOM 594 OD1 ASN A 37 5.085 -7.605 -11.403 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.710 -6.215 -12.419 1.00 0.00 N ATOM 0 H ASN A 37 1.702 -7.669 -12.279 1.00 0.00 H new ATOM 0 HA ASN A 37 2.833 -9.404 -10.331 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.294 -6.371 -10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.499 -7.193 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.378 -6.066 -13.175 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.810 -5.735 -12.432 1.00 0.00 H new ATOM 602 N CYS A 38 -0.112 -8.246 -9.599 1.00 0.00 N ATOM 603 CA CYS A 38 -1.166 -8.149 -8.585 1.00 0.00 C ATOM 604 C CYS A 38 -1.543 -9.534 -8.015 1.00 0.00 C ATOM 605 O CYS A 38 -2.084 -10.380 -8.732 1.00 0.00 O ATOM 606 CB CYS A 38 -2.390 -7.463 -9.203 1.00 0.00 C ATOM 607 SG CYS A 38 -2.118 -5.833 -9.957 1.00 0.00 S ATOM 0 H CYS A 38 -0.430 -8.009 -10.539 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.794 -7.556 -7.750 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.803 -8.125 -9.964 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.148 -7.357 -8.427 1.00 0.00 H new ATOM 612 N THR A 39 -1.267 -9.777 -6.728 1.00 0.00 N ATOM 613 CA THR A 39 -1.621 -11.037 -6.042 1.00 0.00 C ATOM 614 C THR A 39 -3.116 -11.108 -5.694 1.00 0.00 C ATOM 615 O THR A 39 -3.826 -10.097 -5.722 1.00 0.00 O ATOM 616 CB THR A 39 -0.790 -11.244 -4.763 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.134 -10.274 -3.807 1.00 0.00 O ATOM 618 CG2 THR A 39 0.718 -11.155 -4.999 1.00 0.00 C ATOM 0 H THR A 39 -0.790 -9.106 -6.126 1.00 0.00 H new ATOM 0 HA THR A 39 -1.391 -11.836 -6.747 1.00 0.00 H new ATOM 0 HB THR A 39 -1.020 -12.251 -4.416 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.427 -10.216 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.244 -11.310 -4.057 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.020 -11.921 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.967 -10.171 -5.395 1.00 0.00 H new ATOM 626 N ALA A 40 -3.589 -12.304 -5.319 1.00 0.00 N ATOM 627 CA ALA A 40 -4.983 -12.603 -4.962 1.00 0.00 C ATOM 628 C ALA A 40 -5.580 -11.729 -3.835 1.00 0.00 C ATOM 629 O ALA A 40 -6.801 -11.580 -3.760 1.00 0.00 O ATOM 630 CB ALA A 40 -5.075 -14.095 -4.611 1.00 0.00 C ATOM 0 H ALA A 40 -2.986 -13.124 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.594 -12.356 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.102 -14.343 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.772 -14.691 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.417 -14.312 -3.770 1.00 0.00 H new ATOM 636 N ASP A 41 -4.742 -11.128 -2.984 1.00 0.00 N ATOM 637 CA ASP A 41 -5.143 -10.190 -1.923 1.00 0.00 C ATOM 638 C ASP A 41 -4.460 -8.811 -2.033 1.00 0.00 C ATOM 639 O ASP A 41 -5.002 -7.820 -1.540 1.00 0.00 O ATOM 640 CB ASP A 41 -4.934 -10.835 -0.545 1.00 0.00 C ATOM 641 CG ASP A 41 -3.472 -11.233 -0.283 1.00 0.00 C ATOM 642 OD1 ASP A 41 -2.672 -10.362 0.128 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.125 -12.420 -0.488 1.00 0.00 O ATOM 0 H ASP A 41 -3.734 -11.284 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.206 -9.986 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.260 -10.140 0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.566 -11.720 -0.465 1.00 0.00 H new ATOM 648 N GLY A 42 -3.348 -8.695 -2.767 1.00 0.00 N ATOM 649 CA GLY A 42 -2.701 -7.417 -3.072 1.00 0.00 C ATOM 650 C GLY A 42 -3.564 -6.496 -3.930 1.00 0.00 C ATOM 651 O GLY A 42 -3.628 -5.295 -3.660 1.00 0.00 O ATOM 0 H GLY A 42 -2.866 -9.498 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.456 -6.909 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.760 -7.608 -3.588 1.00 0.00 H new ATOM 655 N LYS A 43 -4.296 -7.053 -4.905 1.00 0.00 N ATOM 656 CA LYS A 43 -5.283 -6.295 -5.699 1.00 0.00 C ATOM 657 C LYS A 43 -6.451 -5.740 -4.881 1.00 0.00 C ATOM 658 O LYS A 43 -7.006 -4.704 -5.235 1.00 0.00 O ATOM 659 CB LYS A 43 -5.723 -7.077 -6.954 1.00 0.00 C ATOM 660 CG LYS A 43 -7.053 -7.847 -6.906 1.00 0.00 C ATOM 661 CD LYS A 43 -7.014 -9.129 -6.061 1.00 0.00 C ATOM 662 CE LYS A 43 -8.389 -9.810 -5.982 1.00 0.00 C ATOM 663 NZ LYS A 43 -8.811 -10.401 -7.282 1.00 0.00 N ATOM 0 H LYS A 43 -4.224 -8.036 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.767 -5.402 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.778 -6.371 -7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.935 -7.790 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.826 -7.189 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.346 -8.106 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.290 -9.823 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.670 -8.889 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.360 -10.593 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.133 -9.082 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.744 -10.847 -7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.867 -9.652 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.117 -11.117 -7.580 1.00 0.00 H new ATOM 677 N GLU A 44 -6.816 -6.401 -3.783 1.00 0.00 N ATOM 678 CA GLU A 44 -7.806 -5.890 -2.833 1.00 0.00 C ATOM 679 C GLU A 44 -7.193 -4.787 -1.950 1.00 0.00 C ATOM 680 O GLU A 44 -7.752 -3.694 -1.863 1.00 0.00 O ATOM 681 CB GLU A 44 -8.346 -7.062 -1.996 1.00 0.00 C ATOM 682 CG GLU A 44 -9.610 -6.710 -1.209 1.00 0.00 C ATOM 683 CD GLU A 44 -10.844 -6.568 -2.125 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.476 -7.600 -2.458 1.00 0.00 O ATOM 685 OE2 GLU A 44 -11.190 -5.428 -2.514 1.00 0.00 O ATOM 0 H GLU A 44 -6.432 -7.310 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.638 -5.436 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.559 -7.903 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.573 -7.390 -1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.799 -7.483 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.452 -5.777 -0.668 1.00 0.00 H new ATOM 692 N LEU A 45 -6.009 -5.025 -1.368 1.00 0.00 N ATOM 693 CA LEU A 45 -5.257 -4.065 -0.551 1.00 0.00 C ATOM 694 C LEU A 45 -5.038 -2.737 -1.294 1.00 0.00 C ATOM 695 O LEU A 45 -5.465 -1.690 -0.815 1.00 0.00 O ATOM 696 CB LEU A 45 -3.946 -4.734 -0.078 1.00 0.00 C ATOM 697 CG LEU A 45 -2.978 -3.791 0.672 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.321 -4.476 1.876 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.854 -3.300 -0.246 1.00 0.00 C ATOM 0 H LEU A 45 -5.533 -5.923 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.834 -3.796 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.195 -5.571 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.431 -5.148 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.587 -2.954 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.649 -3.775 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.091 -4.798 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.754 -5.343 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.191 -2.639 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.287 -4.154 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.283 -2.757 -1.088 1.00 0.00 H new ATOM 711 N LYS A 46 -4.477 -2.761 -2.507 1.00 0.00 N ATOM 712 CA LYS A 46 -4.267 -1.545 -3.315 1.00 0.00 C ATOM 713 C LYS A 46 -5.563 -0.831 -3.711 1.00 0.00 C ATOM 714 O LYS A 46 -5.520 0.356 -4.018 1.00 0.00 O ATOM 715 CB LYS A 46 -3.397 -1.845 -4.550 1.00 0.00 C ATOM 716 CG LYS A 46 -4.114 -2.707 -5.606 1.00 0.00 C ATOM 717 CD LYS A 46 -4.821 -1.980 -6.765 1.00 0.00 C ATOM 718 CE LYS A 46 -3.853 -1.260 -7.712 1.00 0.00 C ATOM 719 NZ LYS A 46 -4.554 -0.766 -8.928 1.00 0.00 N ATOM 0 H LYS A 46 -4.155 -3.617 -2.959 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.733 -0.848 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.090 -0.904 -5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.489 -2.355 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.381 -3.389 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.855 -3.319 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.405 -2.702 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.523 -1.255 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.388 -0.422 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.052 -1.940 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.873 -0.284 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.977 -1.569 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.302 -0.099 -8.651 1.00 0.00 H new ATOM 733 N SER A 47 -6.685 -1.553 -3.751 1.00 0.00 N ATOM 734 CA SER A 47 -8.011 -1.018 -4.098 1.00 0.00 C ATOM 735 C SER A 47 -8.693 -0.335 -2.905 1.00 0.00 C ATOM 736 O SER A 47 -9.408 0.653 -3.083 1.00 0.00 O ATOM 737 CB SER A 47 -8.896 -2.136 -4.662 1.00 0.00 C ATOM 738 OG SER A 47 -10.111 -1.612 -5.172 1.00 0.00 O ATOM 0 H SER A 47 -6.701 -2.550 -3.538 1.00 0.00 H new ATOM 0 HA SER A 47 -7.869 -0.253 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.363 -2.663 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.110 -2.865 -3.881 1.00 0.00 H new ATOM 0 HG SER A 47 -10.659 -2.343 -5.528 1.00 0.00 H new ATOM 744 N VAL A 48 -8.415 -0.783 -1.672 1.00 0.00 N ATOM 745 CA VAL A 48 -8.868 -0.106 -0.443 1.00 0.00 C ATOM 746 C VAL A 48 -7.927 1.015 0.025 1.00 0.00 C ATOM 747 O VAL A 48 -8.382 1.942 0.695 1.00 0.00 O ATOM 748 CB VAL A 48 -9.153 -1.115 0.682 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.908 -1.864 1.148 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.768 -0.437 1.904 1.00 0.00 C ATOM 0 H VAL A 48 -7.869 -1.626 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.805 0.386 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.853 -1.827 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.178 -2.560 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.481 -2.417 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.174 -1.151 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.955 -1.182 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.081 0.318 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.708 0.038 1.622 1.00 0.00 H new ATOM 760 N ILE A 49 -6.642 1.001 -0.361 1.00 0.00 N ATOM 761 CA ILE A 49 -5.695 2.071 0.000 1.00 0.00 C ATOM 762 C ILE A 49 -6.245 3.470 -0.363 1.00 0.00 C ATOM 763 O ILE A 49 -6.239 4.345 0.506 1.00 0.00 O ATOM 764 CB ILE A 49 -4.271 1.852 -0.589 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.505 0.808 0.256 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.429 3.152 -0.639 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.126 0.399 -0.278 1.00 0.00 C ATOM 0 H ILE A 49 -6.232 0.257 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.590 2.023 1.084 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.413 1.503 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.381 1.205 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.121 -0.087 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.447 2.934 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.935 3.889 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.312 3.549 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.680 -0.336 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.235 -0.035 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.482 1.277 -0.334 1.00 0.00 H new ATOM 779 N PRO A 50 -6.751 3.711 -1.594 1.00 0.00 N ATOM 780 CA PRO A 50 -7.292 5.017 -1.969 1.00 0.00 C ATOM 781 C PRO A 50 -8.664 5.293 -1.329 1.00 0.00 C ATOM 782 O PRO A 50 -9.015 6.448 -1.097 1.00 0.00 O ATOM 783 CB PRO A 50 -7.385 4.991 -3.500 1.00 0.00 C ATOM 784 CG PRO A 50 -7.584 3.511 -3.819 1.00 0.00 C ATOM 785 CD PRO A 50 -6.779 2.809 -2.741 1.00 0.00 C ATOM 0 HA PRO A 50 -6.651 5.822 -1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.217 5.595 -3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.480 5.384 -3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.636 3.230 -3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.222 3.263 -4.817 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.235 1.856 -2.474 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.769 2.592 -3.089 1.00 0.00 H new ATOM 793 N ASP A 51 -9.440 4.261 -0.979 1.00 0.00 N ATOM 794 CA ASP A 51 -10.707 4.405 -0.241 1.00 0.00 C ATOM 795 C ASP A 51 -10.504 4.952 1.181 1.00 0.00 C ATOM 796 O ASP A 51 -11.352 5.690 1.687 1.00 0.00 O ATOM 797 CB ASP A 51 -11.447 3.059 -0.183 1.00 0.00 C ATOM 798 CG ASP A 51 -12.601 2.971 -1.193 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.375 3.144 -2.413 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.744 2.720 -0.744 1.00 0.00 O ATOM 0 H ASP A 51 -9.207 3.293 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.309 5.133 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.740 2.252 -0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.838 2.908 0.823 1.00 0.00 H new ATOM 805 N ALA A 52 -9.354 4.677 1.808 1.00 0.00 N ATOM 806 CA ALA A 52 -8.938 5.319 3.058 1.00 0.00 C ATOM 807 C ALA A 52 -8.670 6.836 2.923 1.00 0.00 C ATOM 808 O ALA A 52 -8.488 7.521 3.930 1.00 0.00 O ATOM 809 CB ALA A 52 -7.730 4.566 3.626 1.00 0.00 C ATOM 0 H ALA A 52 -8.681 3.996 1.457 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.771 5.256 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.413 5.036 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.005 3.529 3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.911 4.596 2.907 1.00 0.00 H new ATOM 815 N LEU A 53 -8.697 7.368 1.695 1.00 0.00 N ATOM 816 CA LEU A 53 -8.518 8.784 1.357 1.00 0.00 C ATOM 817 C LEU A 53 -9.821 9.379 0.775 1.00 0.00 C ATOM 818 O LEU A 53 -10.147 10.536 1.039 1.00 0.00 O ATOM 819 CB LEU A 53 -7.349 8.940 0.353 1.00 0.00 C ATOM 820 CG LEU A 53 -6.135 8.002 0.540 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.124 8.161 -0.594 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.401 8.231 1.860 1.00 0.00 C ATOM 0 H LEU A 53 -8.852 6.792 0.868 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.277 9.334 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.743 8.788 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.993 9.969 0.404 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.552 6.995 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.284 7.486 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.602 7.921 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.764 9.190 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.559 7.543 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.035 9.257 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.084 8.057 2.691 1.00 0.00 H new ATOM 834 N SER A 54 -10.587 8.577 0.022 1.00 0.00 N ATOM 835 CA SER A 54 -11.847 8.969 -0.634 1.00 0.00 C ATOM 836 C SER A 54 -13.058 8.986 0.316 1.00 0.00 C ATOM 837 O SER A 54 -13.915 9.869 0.229 1.00 0.00 O ATOM 838 CB SER A 54 -12.133 7.988 -1.779 1.00 0.00 C ATOM 839 OG SER A 54 -13.049 8.553 -2.703 1.00 0.00 O ATOM 0 H SER A 54 -10.340 7.603 -0.155 1.00 0.00 H new ATOM 0 HA SER A 54 -11.712 9.989 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.203 7.735 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.539 7.060 -1.377 1.00 0.00 H new ATOM 0 HG SER A 54 -13.219 7.915 -3.427 1.00 0.00 H new ATOM 845 N ASN A 55 -13.115 8.030 1.251 1.00 0.00 N ATOM 846 CA ASN A 55 -14.212 7.822 2.211 1.00 0.00 C ATOM 847 C ASN A 55 -13.698 7.339 3.582 1.00 0.00 C ATOM 848 O ASN A 55 -14.444 6.716 4.335 1.00 0.00 O ATOM 849 CB ASN A 55 -15.292 6.878 1.612 1.00 0.00 C ATOM 850 CG ASN A 55 -14.758 5.790 0.697 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.716 5.932 -0.515 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.337 4.671 1.233 1.00 0.00 N ATOM 0 H ASN A 55 -12.365 7.348 1.366 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.687 8.786 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.837 6.408 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.010 7.480 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.977 3.925 0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.369 4.546 2.245 1.00 0.00 H new ATOM 859 N GLU A 56 -12.425 7.589 3.914 1.00 0.00 N ATOM 860 CA GLU A 56 -11.785 7.197 5.187 1.00 0.00 C ATOM 861 C GLU A 56 -11.981 5.707 5.551 1.00 0.00 C ATOM 862 O GLU A 56 -12.027 5.337 6.725 1.00 0.00 O ATOM 863 CB GLU A 56 -12.208 8.164 6.312 1.00 0.00 C ATOM 864 CG GLU A 56 -11.792 9.610 6.013 1.00 0.00 C ATOM 865 CD GLU A 56 -12.158 10.541 7.185 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.282 11.103 7.194 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.323 10.728 8.103 1.00 0.00 O ATOM 0 H GLU A 56 -11.789 8.084 3.289 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.707 7.289 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.289 8.117 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.759 7.845 7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.718 9.653 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.284 9.953 5.103 1.00 0.00 H new ATOM 874 N CYS A 57 -12.104 4.842 4.531 1.00 0.00 N ATOM 875 CA CYS A 57 -12.382 3.408 4.665 1.00 0.00 C ATOM 876 C CYS A 57 -13.701 3.123 5.430 1.00 0.00 C ATOM 877 O CYS A 57 -13.831 2.116 6.120 1.00 0.00 O ATOM 878 CB CYS A 57 -11.148 2.718 5.278 1.00 0.00 C ATOM 879 SG CYS A 57 -10.720 1.065 4.660 1.00 0.00 S ATOM 0 H CYS A 57 -12.009 5.135 3.559 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.555 2.980 3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.287 3.368 5.123 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.303 2.645 6.354 1.00 0.00 H new ATOM 884 N ALA A 58 -14.700 4.010 5.363 1.00 0.00 N ATOM 885 CA ALA A 58 -15.928 3.885 6.153 1.00 0.00 C ATOM 886 C ALA A 58 -16.796 2.663 5.793 1.00 0.00 C ATOM 887 O ALA A 58 -17.515 2.144 6.651 1.00 0.00 O ATOM 888 CB ALA A 58 -16.718 5.193 6.016 1.00 0.00 C ATOM 0 H ALA A 58 -14.679 4.833 4.761 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.639 3.710 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.638 5.125 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.116 6.022 6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.962 5.363 4.967 1.00 0.00 H new ATOM 894 N LYS A 59 -16.700 2.167 4.549 1.00 0.00 N ATOM 895 CA LYS A 59 -17.373 0.930 4.093 1.00 0.00 C ATOM 896 C LYS A 59 -16.563 -0.361 4.337 1.00 0.00 C ATOM 897 O LYS A 59 -17.024 -1.451 3.996 1.00 0.00 O ATOM 898 CB LYS A 59 -17.771 1.075 2.610 1.00 0.00 C ATOM 899 CG LYS A 59 -18.723 2.250 2.309 1.00 0.00 C ATOM 900 CD LYS A 59 -20.048 2.175 3.087 1.00 0.00 C ATOM 901 CE LYS A 59 -20.996 3.292 2.635 1.00 0.00 C ATOM 902 NZ LYS A 59 -22.283 3.249 3.380 1.00 0.00 N ATOM 0 H LYS A 59 -16.147 2.616 3.819 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.266 0.814 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.866 1.198 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.244 0.149 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.220 3.187 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.938 2.270 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.517 1.204 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.855 2.263 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.518 4.260 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.189 3.196 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.901 4.018 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.750 2.334 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.099 3.365 4.397 1.00 0.00 H new ATOM 916 N CYS A 60 -15.364 -0.256 4.910 1.00 0.00 N ATOM 917 CA CYS A 60 -14.437 -1.355 5.165 1.00 0.00 C ATOM 918 C CYS A 60 -14.761 -2.149 6.444 1.00 0.00 C ATOM 919 O CYS A 60 -15.447 -1.673 7.351 1.00 0.00 O ATOM 920 CB CYS A 60 -13.050 -0.736 5.341 1.00 0.00 C ATOM 921 SG CYS A 60 -12.427 0.208 3.934 1.00 0.00 S ATOM 0 H CYS A 60 -14.996 0.642 5.224 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.504 -2.051 4.329 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.073 -0.081 6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.342 -1.535 5.561 1.00 0.00 H new ATOM 926 N ASN A 61 -14.151 -3.329 6.548 1.00 0.00 N ATOM 927 CA ASN A 61 -13.928 -4.044 7.812 1.00 0.00 C ATOM 928 C ASN A 61 -12.677 -3.532 8.540 1.00 0.00 C ATOM 929 O ASN A 61 -11.714 -3.091 7.911 1.00 0.00 O ATOM 930 CB ASN A 61 -13.775 -5.559 7.568 1.00 0.00 C ATOM 931 CG ASN A 61 -12.769 -5.924 6.481 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.851 -5.502 5.339 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.786 -6.733 6.788 1.00 0.00 N ATOM 0 H ASN A 61 -13.788 -3.830 5.737 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.802 -3.858 8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.473 -6.036 8.500 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.748 -5.971 7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.105 -7.000 6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.702 -7.096 7.738 1.00 0.00 H new ATOM 940 N GLU A 62 -12.649 -3.699 9.862 1.00 0.00 N ATOM 941 CA GLU A 62 -11.537 -3.344 10.749 1.00 0.00 C ATOM 942 C GLU A 62 -10.166 -3.856 10.256 1.00 0.00 C ATOM 943 O GLU A 62 -9.191 -3.101 10.269 1.00 0.00 O ATOM 944 CB GLU A 62 -11.906 -3.847 12.159 1.00 0.00 C ATOM 945 CG GLU A 62 -10.684 -4.007 13.061 1.00 0.00 C ATOM 946 CD GLU A 62 -11.037 -4.179 14.552 1.00 0.00 C ATOM 947 OE1 GLU A 62 -11.705 -3.289 15.134 1.00 0.00 O ATOM 948 OE2 GLU A 62 -10.615 -5.190 15.163 1.00 0.00 O ATOM 0 H GLU A 62 -13.436 -4.104 10.369 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.405 -2.262 10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.604 -3.148 12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.421 -4.804 12.077 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.109 -4.872 12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.041 -3.134 12.947 1.00 0.00 H new ATOM 955 N LYS A 63 -10.096 -5.107 9.772 1.00 0.00 N ATOM 956 CA LYS A 63 -8.854 -5.719 9.257 1.00 0.00 C ATOM 957 C LYS A 63 -8.219 -4.890 8.130 1.00 0.00 C ATOM 958 O LYS A 63 -7.002 -4.727 8.106 1.00 0.00 O ATOM 959 CB LYS A 63 -9.123 -7.171 8.801 1.00 0.00 C ATOM 960 CG LYS A 63 -7.993 -8.161 9.131 1.00 0.00 C ATOM 961 CD LYS A 63 -7.998 -8.569 10.613 1.00 0.00 C ATOM 962 CE LYS A 63 -7.010 -9.715 10.869 1.00 0.00 C ATOM 963 NZ LYS A 63 -7.116 -10.211 12.266 1.00 0.00 N ATOM 0 H LYS A 63 -10.903 -5.728 9.726 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.132 -5.736 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.044 -7.521 9.268 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.290 -7.175 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.098 -9.051 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.032 -7.710 8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.734 -7.711 11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.002 -8.877 10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.207 -10.531 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.993 -9.372 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.277 -10.781 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.175 -9.403 12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.970 -10.797 12.363 1.00 0.00 H new ATOM 977 N GLN A 64 -9.036 -4.329 7.233 1.00 0.00 N ATOM 978 CA GLN A 64 -8.601 -3.402 6.180 1.00 0.00 C ATOM 979 C GLN A 64 -8.364 -1.978 6.703 1.00 0.00 C ATOM 980 O GLN A 64 -7.337 -1.387 6.379 1.00 0.00 O ATOM 981 CB GLN A 64 -9.646 -3.365 5.054 1.00 0.00 C ATOM 982 CG GLN A 64 -9.855 -4.712 4.346 1.00 0.00 C ATOM 983 CD GLN A 64 -8.720 -5.103 3.407 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.562 -5.241 3.775 1.00 0.00 O ATOM 985 NE2 GLN A 64 -9.023 -5.319 2.149 1.00 0.00 N ATOM 0 H GLN A 64 -10.040 -4.510 7.217 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.648 -3.774 5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.598 -3.033 5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.343 -2.622 4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.975 -5.491 5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.785 -4.672 3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.985 -5.207 1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.296 -5.599 1.490 1.00 0.00 H new ATOM 994 N LYS A 65 -9.272 -1.441 7.536 1.00 0.00 N ATOM 995 CA LYS A 65 -9.168 -0.089 8.135 1.00 0.00 C ATOM 996 C LYS A 65 -7.837 0.137 8.851 1.00 0.00 C ATOM 997 O LYS A 65 -7.170 1.142 8.612 1.00 0.00 O ATOM 998 CB LYS A 65 -10.320 0.186 9.122 1.00 0.00 C ATOM 999 CG LYS A 65 -11.690 0.272 8.440 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.869 0.474 9.402 1.00 0.00 C ATOM 1001 CE LYS A 65 -12.807 1.835 10.108 1.00 0.00 C ATOM 1002 NZ LYS A 65 -13.991 2.051 10.981 1.00 0.00 N ATOM 0 H LYS A 65 -10.116 -1.939 7.820 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.232 0.607 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.344 -0.604 9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.124 1.120 9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.675 1.095 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.856 -0.642 7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.805 0.394 8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.870 -0.321 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.897 1.895 10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.752 2.630 9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.917 2.980 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.857 2.018 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.028 1.306 11.706 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.437 -0.795 9.714 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.111 -0.775 10.346 1.00 0.00 C ATOM 1018 C GLU A 66 -5.014 -1.240 9.377 1.00 0.00 C ATOM 1019 O GLU A 66 -3.926 -0.669 9.365 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.101 -1.650 11.610 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.074 -1.138 12.682 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.829 -1.822 14.040 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.938 -3.068 14.141 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -6.527 -1.105 15.027 1.00 0.00 O ATOM 0 H GLU A 66 -8.018 -1.584 9.997 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.899 0.257 10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.364 -2.673 11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.092 -1.678 12.022 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.962 -0.059 12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.100 -1.321 12.361 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.310 -2.242 8.541 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.384 -2.861 7.588 1.00 0.00 C ATOM 1033 C GLY A 67 -3.748 -1.897 6.588 1.00 0.00 C ATOM 1034 O GLY A 67 -2.530 -1.916 6.420 1.00 0.00 O ATOM 0 H GLY A 67 -6.240 -2.660 8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.590 -3.358 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.918 -3.634 7.036 1.00 0.00 H new ATOM 1038 N THR A 68 -4.518 -1.016 5.947 1.00 0.00 N ATOM 1039 CA THR A 68 -3.942 0.022 5.077 1.00 0.00 C ATOM 1040 C THR A 68 -3.312 1.161 5.869 1.00 0.00 C ATOM 1041 O THR A 68 -2.233 1.609 5.491 1.00 0.00 O ATOM 1042 CB THR A 68 -4.953 0.584 4.073 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.133 1.038 4.699 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.330 -0.489 3.058 1.00 0.00 C ATOM 0 H THR A 68 -5.536 -0.996 6.010 1.00 0.00 H new ATOM 0 HA THR A 68 -3.156 -0.482 4.516 1.00 0.00 H new ATOM 0 HB THR A 68 -4.474 1.431 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.748 1.389 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.049 -0.081 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.437 -0.814 2.524 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.773 -1.340 3.576 1.00 0.00 H new ATOM 1052 N LYS A 69 -3.915 1.598 6.986 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.392 2.678 7.848 1.00 0.00 C ATOM 1054 C LYS A 69 -1.976 2.387 8.360 1.00 0.00 C ATOM 1055 O LYS A 69 -1.085 3.225 8.223 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.369 2.935 9.000 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.044 4.260 9.707 1.00 0.00 C ATOM 1058 CD LYS A 69 -4.725 4.357 11.073 1.00 0.00 C ATOM 1059 CE LYS A 69 -6.261 4.311 11.044 1.00 0.00 C ATOM 1060 NZ LYS A 69 -6.852 5.555 10.482 1.00 0.00 N ATOM 0 H LYS A 69 -4.794 1.207 7.324 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.310 3.582 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.389 2.962 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.319 2.114 9.715 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.965 4.350 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.364 5.094 9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.365 3.541 11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.414 5.286 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.586 3.457 10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.637 4.157 12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.889 5.478 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.565 6.369 11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.516 5.690 9.507 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.746 1.186 8.902 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.415 0.732 9.342 1.00 0.00 C ATOM 1076 C LYS A 70 0.549 0.647 8.156 1.00 0.00 C ATOM 1077 O LYS A 70 1.655 1.179 8.222 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.517 -0.574 10.178 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.834 -1.843 9.366 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.276 -3.074 10.174 1.00 0.00 C ATOM 1081 CE LYS A 70 -0.100 -3.764 10.882 1.00 0.00 C ATOM 1082 NZ LYS A 70 -0.548 -4.974 11.622 1.00 0.00 N ATOM 0 H LYS A 70 -2.481 0.494 9.050 1.00 0.00 H new ATOM 0 HA LYS A 70 0.013 1.473 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.425 -0.724 10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.290 -0.443 10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.620 -1.604 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.052 -2.111 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.016 -2.772 10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.764 -3.786 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.656 -4.043 10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.371 -3.066 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.225 -5.669 11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.812 -4.709 12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.371 -5.390 11.141 1.00 0.00 H new ATOM 1096 N VAL A 71 0.149 0.018 7.052 1.00 0.00 N ATOM 1097 CA VAL A 71 1.029 -0.238 5.897 1.00 0.00 C ATOM 1098 C VAL A 71 1.454 1.036 5.179 1.00 0.00 C ATOM 1099 O VAL A 71 2.638 1.170 4.887 1.00 0.00 O ATOM 1100 CB VAL A 71 0.378 -1.265 4.954 1.00 0.00 C ATOM 1101 CG1 VAL A 71 1.077 -1.443 3.604 1.00 0.00 C ATOM 1102 CG2 VAL A 71 0.475 -2.605 5.679 1.00 0.00 C ATOM 0 H VAL A 71 -0.800 -0.333 6.926 1.00 0.00 H new ATOM 0 HA VAL A 71 1.957 -0.667 6.274 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.631 -0.916 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.543 -2.187 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.085 -0.493 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.102 -1.776 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.029 -3.385 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.522 -2.843 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.057 -2.544 6.629 1.00 0.00 H new ATOM 1112 N LEU A 72 0.558 2.010 5.003 1.00 0.00 N ATOM 1113 CA LEU A 72 0.874 3.337 4.459 1.00 0.00 C ATOM 1114 C LEU A 72 2.082 3.977 5.148 1.00 0.00 C ATOM 1115 O LEU A 72 2.963 4.489 4.459 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.415 4.186 4.458 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.355 5.697 4.744 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.690 6.279 4.293 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.222 6.002 6.242 1.00 0.00 C ATOM 0 H LEU A 72 -0.428 1.898 5.239 1.00 0.00 H new ATOM 0 HA LEU A 72 1.204 3.255 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.881 4.062 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.091 3.746 5.192 1.00 0.00 H new ATOM 0 HG LEU A 72 0.509 6.116 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.699 7.354 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.828 6.090 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.499 5.810 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.184 7.081 6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.080 5.592 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.693 5.550 6.626 1.00 0.00 H new ATOM 1131 N LYS A 73 2.176 3.875 6.482 1.00 0.00 N ATOM 1132 CA LYS A 73 3.230 4.517 7.281 1.00 0.00 C ATOM 1133 C LYS A 73 4.585 3.826 7.097 1.00 0.00 C ATOM 1134 O LYS A 73 5.605 4.485 6.895 1.00 0.00 O ATOM 1135 CB LYS A 73 2.783 4.489 8.759 1.00 0.00 C ATOM 1136 CG LYS A 73 3.779 5.108 9.753 1.00 0.00 C ATOM 1137 CD LYS A 73 4.136 6.577 9.475 1.00 0.00 C ATOM 1138 CE LYS A 73 2.942 7.546 9.520 1.00 0.00 C ATOM 1139 NZ LYS A 73 2.326 7.636 10.875 1.00 0.00 N ATOM 0 H LYS A 73 1.514 3.338 7.043 1.00 0.00 H new ATOM 0 HA LYS A 73 3.368 5.546 6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.833 5.016 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.601 3.454 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.362 5.034 10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.695 4.518 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.878 6.901 10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.604 6.644 8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.272 8.537 9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.188 7.221 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.527 8.301 10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.985 6.697 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.035 7.972 11.557 1.00 0.00 H new ATOM 1153 N HIS A 74 4.590 2.492 7.125 1.00 0.00 N ATOM 1154 CA HIS A 74 5.771 1.660 6.852 1.00 0.00 C ATOM 1155 C HIS A 74 6.256 1.848 5.417 1.00 0.00 C ATOM 1156 O HIS A 74 7.453 2.016 5.212 1.00 0.00 O ATOM 1157 CB HIS A 74 5.486 0.171 7.117 1.00 0.00 C ATOM 1158 CG HIS A 74 5.144 -0.156 8.546 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.875 -0.130 9.074 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.976 -0.671 9.503 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.905 -0.659 10.305 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.184 -0.966 10.607 1.00 0.00 N ATOM 0 H HIS A 74 3.757 1.945 7.342 1.00 0.00 H new ATOM 0 HA HIS A 74 6.556 1.986 7.534 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.662 -0.147 6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.360 -0.411 6.824 1.00 0.00 H new ATOM 0 HD1 HIS A 74 3.045 0.233 8.605 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.042 -0.820 9.417 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.050 -0.813 10.947 1.00 0.00 H new ATOM 1171 N LEU A 75 5.357 1.878 4.432 1.00 0.00 N ATOM 1172 CA LEU A 75 5.725 2.046 3.023 1.00 0.00 C ATOM 1173 C LEU A 75 6.453 3.378 2.794 1.00 0.00 C ATOM 1174 O LEU A 75 7.514 3.389 2.178 1.00 0.00 O ATOM 1175 CB LEU A 75 4.465 1.982 2.135 1.00 0.00 C ATOM 1176 CG LEU A 75 4.240 0.630 1.442 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.376 -0.562 2.393 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.857 0.643 0.790 1.00 0.00 C ATOM 0 H LEU A 75 4.353 1.787 4.587 1.00 0.00 H new ATOM 0 HA LEU A 75 6.401 1.235 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.593 2.211 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.533 2.759 1.374 1.00 0.00 H new ATOM 0 HG LEU A 75 5.019 0.502 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.206 -1.488 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.378 -0.573 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.641 -0.475 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.680 -0.311 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.096 0.800 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.808 1.449 0.058 1.00 0.00 H new ATOM 1190 N ILE A 76 5.940 4.491 3.334 1.00 0.00 N ATOM 1191 CA ILE A 76 6.620 5.796 3.232 1.00 0.00 C ATOM 1192 C ILE A 76 7.965 5.811 3.992 1.00 0.00 C ATOM 1193 O ILE A 76 8.929 6.410 3.517 1.00 0.00 O ATOM 1194 CB ILE A 76 5.643 6.945 3.599 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.164 8.354 3.270 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.107 6.965 5.035 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.974 9.040 4.381 1.00 0.00 C ATOM 0 H ILE A 76 5.058 4.518 3.846 1.00 0.00 H new ATOM 0 HA ILE A 76 6.906 5.971 2.195 1.00 0.00 H new ATOM 0 HB ILE A 76 4.810 6.690 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.786 8.292 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.313 8.988 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.437 7.815 5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.563 6.041 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.940 7.053 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.292 10.026 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.355 9.144 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.851 8.437 4.617 1.00 0.00 H new ATOM 1209 N ASN A 77 8.079 5.087 5.115 1.00 0.00 N ATOM 1210 CA ASN A 77 9.331 4.943 5.884 1.00 0.00 C ATOM 1211 C ASN A 77 10.393 4.028 5.233 1.00 0.00 C ATOM 1212 O ASN A 77 11.590 4.251 5.428 1.00 0.00 O ATOM 1213 CB ASN A 77 9.006 4.430 7.303 1.00 0.00 C ATOM 1214 CG ASN A 77 8.703 5.566 8.258 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.508 5.932 9.098 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.553 6.182 8.138 1.00 0.00 N ATOM 0 H ASN A 77 7.296 4.577 5.523 1.00 0.00 H new ATOM 0 HA ASN A 77 9.778 5.937 5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.151 3.755 7.258 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.849 3.852 7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.330 6.969 8.748 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.881 5.875 7.435 1.00 0.00 H new ATOM 1223 N HIS A 78 9.979 2.997 4.487 1.00 0.00 N ATOM 1224 CA HIS A 78 10.858 1.902 4.016 1.00 0.00 C ATOM 1225 C HIS A 78 11.002 1.785 2.492 1.00 0.00 C ATOM 1226 O HIS A 78 11.987 1.227 2.009 1.00 0.00 O ATOM 1227 CB HIS A 78 10.353 0.568 4.581 1.00 0.00 C ATOM 1228 CG HIS A 78 10.557 0.418 6.071 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.772 0.203 6.698 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.590 0.459 7.041 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.551 0.120 8.025 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.231 0.277 8.256 1.00 0.00 N ATOM 0 H HIS A 78 9.010 2.892 4.185 1.00 0.00 H new ATOM 0 HA HIS A 78 11.854 2.150 4.384 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.291 0.469 4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.864 -0.248 4.070 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.531 0.605 6.888 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.306 -0.045 8.779 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.781 0.264 9.171 1.00 0.00 H new ATOM 1241 N LYS A 79 10.052 2.335 1.739 1.00 0.00 N ATOM 1242 CA LYS A 79 10.034 2.426 0.272 1.00 0.00 C ATOM 1243 C LYS A 79 9.687 3.854 -0.178 1.00 0.00 C ATOM 1244 O LYS A 79 8.763 4.030 -0.963 1.00 0.00 O ATOM 1245 CB LYS A 79 9.079 1.345 -0.295 1.00 0.00 C ATOM 1246 CG LYS A 79 9.696 -0.054 -0.438 1.00 0.00 C ATOM 1247 CD LYS A 79 10.598 -0.200 -1.677 1.00 0.00 C ATOM 1248 CE LYS A 79 11.971 0.474 -1.523 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.991 -0.110 -2.437 1.00 0.00 N ATOM 0 H LYS A 79 9.222 2.756 2.157 1.00 0.00 H new ATOM 0 HA LYS A 79 11.025 2.223 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.206 1.276 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.725 1.671 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.279 -0.279 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.896 -0.792 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.744 -1.260 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.088 0.228 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.874 1.541 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.310 0.373 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.900 0.375 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.104 -1.123 -2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.682 0.009 -3.423 1.00 0.00 H new ATOM 1263 N PRO A 80 10.422 4.885 0.280 1.00 0.00 N ATOM 1264 CA PRO A 80 10.101 6.293 0.003 1.00 0.00 C ATOM 1265 C PRO A 80 10.093 6.619 -1.503 1.00 0.00 C ATOM 1266 O PRO A 80 9.198 7.310 -1.991 1.00 0.00 O ATOM 1267 CB PRO A 80 11.160 7.101 0.764 1.00 0.00 C ATOM 1268 CG PRO A 80 12.344 6.138 0.865 1.00 0.00 C ATOM 1269 CD PRO A 80 11.684 4.770 0.998 1.00 0.00 C ATOM 0 HA PRO A 80 9.091 6.538 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.429 8.012 0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.803 7.402 1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.981 6.192 -0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.973 6.365 1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.311 3.987 0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.520 4.512 2.044 1.00 0.00 H new ATOM 1277 N ASP A 81 11.053 6.072 -2.255 1.00 0.00 N ATOM 1278 CA ASP A 81 11.164 6.247 -3.713 1.00 0.00 C ATOM 1279 C ASP A 81 9.983 5.649 -4.504 1.00 0.00 C ATOM 1280 O ASP A 81 9.566 6.213 -5.518 1.00 0.00 O ATOM 1281 CB ASP A 81 12.472 5.609 -4.206 1.00 0.00 C ATOM 1282 CG ASP A 81 13.716 6.302 -3.631 1.00 0.00 C ATOM 1283 OD1 ASP A 81 14.142 7.342 -4.186 1.00 0.00 O ATOM 1284 OD2 ASP A 81 14.275 5.796 -2.629 1.00 0.00 O ATOM 0 H ASP A 81 11.789 5.484 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 81 11.152 7.322 -3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.486 4.555 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.506 5.652 -5.295 1.00 0.00 H new ATOM 1289 N VAL A 82 9.438 4.508 -4.061 1.00 0.00 N ATOM 1290 CA VAL A 82 8.248 3.878 -4.669 1.00 0.00 C ATOM 1291 C VAL A 82 6.948 4.482 -4.136 1.00 0.00 C ATOM 1292 O VAL A 82 6.020 4.721 -4.906 1.00 0.00 O ATOM 1293 CB VAL A 82 8.256 2.351 -4.487 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.010 1.726 -5.122 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.495 1.726 -5.143 1.00 0.00 C ATOM 0 H VAL A 82 9.810 3.989 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 82 8.296 4.087 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 82 8.269 2.153 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.034 0.645 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.117 2.133 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.991 1.954 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.477 0.646 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.494 1.951 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.395 2.137 -4.686 1.00 0.00 H new ATOM 1305 N TRP A 83 6.888 4.808 -2.843 1.00 0.00 N ATOM 1306 CA TRP A 83 5.787 5.554 -2.233 1.00 0.00 C ATOM 1307 C TRP A 83 5.465 6.844 -2.998 1.00 0.00 C ATOM 1308 O TRP A 83 4.297 7.095 -3.284 1.00 0.00 O ATOM 1309 CB TRP A 83 6.133 5.861 -0.771 1.00 0.00 C ATOM 1310 CG TRP A 83 5.322 6.970 -0.191 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.755 8.235 -0.016 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.899 6.991 0.124 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.716 9.025 0.417 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.540 8.319 0.509 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.871 6.029 0.078 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.226 8.674 0.839 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.539 6.384 0.356 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.221 7.701 0.728 1.00 0.00 C ATOM 0 H TRP A 83 7.619 4.555 -2.178 1.00 0.00 H new ATOM 0 HA TRP A 83 4.891 4.934 -2.277 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.985 4.961 -0.174 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.190 6.119 -0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.765 8.576 -0.190 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.807 10.016 0.643 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.109 5.006 -0.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.991 9.674 1.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.758 5.642 0.283 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.194 7.967 0.930 1.00 0.00 H new ATOM 1329 N ALA A 84 6.478 7.611 -3.419 1.00 0.00 N ATOM 1330 CA ALA A 84 6.300 8.807 -4.247 1.00 0.00 C ATOM 1331 C ALA A 84 5.475 8.557 -5.531 1.00 0.00 C ATOM 1332 O ALA A 84 4.786 9.459 -6.004 1.00 0.00 O ATOM 1333 CB ALA A 84 7.687 9.375 -4.571 1.00 0.00 C ATOM 0 H ALA A 84 7.453 7.416 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 84 5.714 9.530 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.580 10.267 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.200 9.634 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.269 8.628 -5.111 1.00 0.00 H new ATOM 1339 N GLN A 85 5.500 7.335 -6.075 1.00 0.00 N ATOM 1340 CA GLN A 85 4.719 6.913 -7.248 1.00 0.00 C ATOM 1341 C GLN A 85 3.255 6.606 -6.888 1.00 0.00 C ATOM 1342 O GLN A 85 2.349 6.926 -7.662 1.00 0.00 O ATOM 1343 CB GLN A 85 5.390 5.694 -7.918 1.00 0.00 C ATOM 1344 CG GLN A 85 6.910 5.905 -8.032 1.00 0.00 C ATOM 1345 CD GLN A 85 7.611 4.975 -9.018 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.109 4.640 -10.082 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.814 4.534 -8.708 1.00 0.00 N ATOM 0 H GLN A 85 6.083 6.587 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 85 4.703 7.743 -7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.185 4.795 -7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.964 5.537 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.099 6.936 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.357 5.771 -7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.245 4.805 -7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.314 3.921 -9.352 1.00 0.00 H new ATOM 1356 N LEU A 86 3.018 6.050 -5.691 1.00 0.00 N ATOM 1357 CA LEU A 86 1.677 5.853 -5.109 1.00 0.00 C ATOM 1358 C LEU A 86 0.989 7.210 -4.923 1.00 0.00 C ATOM 1359 O LEU A 86 0.010 7.505 -5.611 1.00 0.00 O ATOM 1360 CB LEU A 86 1.794 5.096 -3.758 1.00 0.00 C ATOM 1361 CG LEU A 86 0.530 4.504 -3.102 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.469 5.561 -2.637 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.188 3.500 -4.001 1.00 0.00 C ATOM 0 H LEU A 86 3.768 5.717 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 86 1.070 5.251 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.499 4.278 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.244 5.781 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 86 0.908 3.985 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.332 5.072 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.005 6.211 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.794 6.155 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.070 3.117 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.492 3.991 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.484 2.674 -4.233 1.00 0.00 H new ATOM 1375 N LYS A 87 1.546 8.075 -4.060 1.00 0.00 N ATOM 1376 CA LYS A 87 0.950 9.376 -3.704 1.00 0.00 C ATOM 1377 C LYS A 87 0.770 10.318 -4.895 1.00 0.00 C ATOM 1378 O LYS A 87 -0.134 11.138 -4.882 1.00 0.00 O ATOM 1379 CB LYS A 87 1.712 10.091 -2.575 1.00 0.00 C ATOM 1380 CG LYS A 87 3.236 10.053 -2.724 1.00 0.00 C ATOM 1381 CD LYS A 87 3.965 11.226 -2.066 1.00 0.00 C ATOM 1382 CE LYS A 87 3.953 12.456 -2.977 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.561 13.633 -2.303 1.00 0.00 N ATOM 0 H LYS A 87 2.430 7.891 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.046 9.123 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.388 11.131 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.440 9.635 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.608 9.123 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.485 10.036 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.490 11.468 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.994 10.942 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.499 12.237 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.928 12.688 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.538 14.451 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.024 13.855 -1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.547 13.418 -2.051 1.00 0.00 H new ATOM 1397 N ALA A 88 1.598 10.212 -5.930 1.00 0.00 N ATOM 1398 CA ALA A 88 1.497 11.065 -7.118 1.00 0.00 C ATOM 1399 C ALA A 88 0.209 10.808 -7.918 1.00 0.00 C ATOM 1400 O ALA A 88 -0.491 11.751 -8.291 1.00 0.00 O ATOM 1401 CB ALA A 88 2.725 10.838 -7.997 1.00 0.00 C ATOM 0 H ALA A 88 2.359 9.534 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 88 1.456 12.103 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.659 11.468 -8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.625 11.092 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.768 9.791 -8.298 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.124 9.531 -8.153 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.377 9.126 -8.809 1.00 0.00 C ATOM 1409 C LYS A 89 -2.574 9.228 -7.857 1.00 0.00 C ATOM 1410 O LYS A 89 -3.653 9.653 -8.265 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.202 7.695 -9.356 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.413 7.150 -10.134 1.00 0.00 C ATOM 1413 CD LYS A 89 -2.752 7.971 -11.389 1.00 0.00 C ATOM 1414 CE LYS A 89 -3.897 7.304 -12.160 1.00 0.00 C ATOM 1415 NZ LYS A 89 -4.261 8.081 -13.376 1.00 0.00 N ATOM 0 H LYS A 89 0.471 8.745 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.591 9.805 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.329 7.675 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.992 7.025 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.214 6.119 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.281 7.132 -9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.036 8.984 -11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.873 8.054 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.604 6.294 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.768 7.212 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.038 7.602 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.564 9.037 -13.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.436 8.148 -14.005 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.378 8.841 -6.595 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.445 8.734 -5.592 1.00 0.00 C ATOM 1431 C TYR A 90 -3.797 10.079 -4.932 1.00 0.00 C ATOM 1432 O TYR A 90 -4.894 10.218 -4.390 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.053 7.685 -4.534 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.262 6.222 -4.924 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.158 5.763 -6.256 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.532 5.293 -3.903 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.333 4.400 -6.565 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.679 3.922 -4.205 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.601 3.472 -5.539 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.787 2.157 -5.842 1.00 0.00 O ATOM 0 H TYR A 90 -1.459 8.588 -6.233 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.349 8.415 -6.111 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.001 7.826 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.625 7.883 -3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.942 6.466 -7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.627 5.631 -2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.262 4.066 -7.589 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.852 3.213 -3.409 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.362 1.743 -5.165 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.902 11.070 -4.988 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.078 12.398 -4.390 1.00 0.00 C ATOM 1452 C ASP A 91 -2.290 13.484 -5.166 1.00 0.00 C ATOM 1453 O ASP A 91 -1.257 13.976 -4.692 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.689 12.363 -2.901 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.104 13.668 -2.181 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.724 14.565 -2.805 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.763 13.819 -0.987 1.00 0.00 O ATOM 0 H ASP A 91 -2.007 10.967 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.131 12.670 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.167 11.511 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.612 12.220 -2.807 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.740 13.870 -6.377 1.00 0.00 N ATOM 1463 CA PRO A 92 -2.011 14.776 -7.277 1.00 0.00 C ATOM 1464 C PRO A 92 -1.814 16.216 -6.755 1.00 0.00 C ATOM 1465 O PRO A 92 -1.084 16.992 -7.374 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.790 14.747 -8.598 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.210 14.403 -8.157 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.976 13.429 -7.007 1.00 0.00 C ATOM 0 HA PRO A 92 -0.984 14.427 -7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.749 15.708 -9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.390 14.002 -9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.759 15.287 -7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.785 13.948 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.806 13.447 -6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.889 12.405 -7.370 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.414 16.579 -5.614 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.231 17.870 -4.927 1.00 0.00 C ATOM 1478 C ASP A 93 -1.529 17.734 -3.555 1.00 0.00 C ATOM 1479 O ASP A 93 -1.180 18.740 -2.933 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.598 18.558 -4.780 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.167 19.014 -6.133 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.681 20.033 -6.682 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.121 18.377 -6.644 1.00 0.00 O ATOM 0 H ASP A 93 -3.063 15.963 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.568 18.482 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.299 17.871 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.500 19.420 -4.120 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.291 16.503 -3.083 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.665 16.195 -1.789 1.00 0.00 C ATOM 1490 C GLY A 94 -1.507 16.542 -0.546 1.00 0.00 C ATOM 1491 O GLY A 94 -0.994 16.481 0.573 1.00 0.00 O ATOM 0 H GLY A 94 -1.537 15.665 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.431 15.131 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.282 16.731 -1.726 1.00 0.00 H new ATOM 1495 N THR A 95 -2.775 16.928 -0.727 1.00 0.00 N ATOM 1496 CA THR A 95 -3.662 17.532 0.288 1.00 0.00 C ATOM 1497 C THR A 95 -3.877 16.666 1.537 1.00 0.00 C ATOM 1498 O THR A 95 -4.089 17.209 2.624 1.00 0.00 O ATOM 1499 CB THR A 95 -5.025 17.875 -0.345 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.830 18.585 -1.552 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.903 18.764 0.539 1.00 0.00 C ATOM 0 H THR A 95 -3.239 16.825 -1.629 1.00 0.00 H new ATOM 0 HA THR A 95 -3.153 18.433 0.629 1.00 0.00 H new ATOM 0 HB THR A 95 -5.524 16.918 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.700 18.798 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.846 18.965 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.101 18.256 1.483 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.388 19.705 0.734 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.773 15.339 1.418 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.914 14.393 2.537 1.00 0.00 C ATOM 1511 C TYR A 96 -2.731 13.420 2.661 1.00 0.00 C ATOM 1512 O TYR A 96 -2.446 12.965 3.766 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.268 13.668 2.481 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.732 13.323 1.085 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.217 12.194 0.425 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.614 14.196 0.417 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.577 11.944 -0.911 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.970 13.949 -0.919 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.453 12.819 -1.591 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.791 12.576 -2.887 1.00 0.00 O ATOM 0 H TYR A 96 -3.585 14.880 0.526 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.894 14.984 3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.200 12.751 3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.022 14.294 2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.548 11.522 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.016 15.055 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.181 11.078 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.639 14.623 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 96 -7.402 13.274 -3.202 1.00 0.00 H new ATOM 1530 N SER A 97 -1.965 13.187 1.592 1.00 0.00 N ATOM 1531 CA SER A 97 -0.686 12.461 1.614 1.00 0.00 C ATOM 1532 C SER A 97 0.301 13.071 2.620 1.00 0.00 C ATOM 1533 O SER A 97 0.930 12.365 3.415 1.00 0.00 O ATOM 1534 CB SER A 97 -0.096 12.472 0.197 1.00 0.00 C ATOM 1535 OG SER A 97 1.225 11.964 0.164 1.00 0.00 O ATOM 0 H SER A 97 -2.223 13.507 0.658 1.00 0.00 H new ATOM 0 HA SER A 97 -0.866 11.436 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.728 11.878 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.101 13.491 -0.189 1.00 0.00 H new ATOM 0 HG SER A 97 1.804 12.589 -0.321 1.00 0.00 H new ATOM 1541 N LYS A 98 0.413 14.409 2.629 1.00 0.00 N ATOM 1542 CA LYS A 98 1.337 15.146 3.506 1.00 0.00 C ATOM 1543 C LYS A 98 1.087 14.947 5.005 1.00 0.00 C ATOM 1544 O LYS A 98 2.034 15.065 5.779 1.00 0.00 O ATOM 1545 CB LYS A 98 1.352 16.637 3.132 1.00 0.00 C ATOM 1546 CG LYS A 98 2.136 16.864 1.826 1.00 0.00 C ATOM 1547 CD LYS A 98 2.265 18.347 1.451 1.00 0.00 C ATOM 1548 CE LYS A 98 3.157 19.106 2.445 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.366 20.518 2.030 1.00 0.00 N ATOM 0 H LYS A 98 -0.140 15.015 2.023 1.00 0.00 H new ATOM 0 HA LYS A 98 2.324 14.717 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.330 16.998 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.804 17.215 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.132 16.433 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.640 16.332 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.681 18.434 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.276 18.804 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.701 19.081 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.121 18.604 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.973 20.998 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.824 20.541 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.448 21.004 1.978 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.133 14.572 5.421 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.505 14.304 6.830 1.00 0.00 C ATOM 1565 C LYS A 99 0.404 13.272 7.523 1.00 0.00 C ATOM 1566 O LYS A 99 0.541 13.312 8.747 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.980 13.859 6.914 1.00 0.00 C ATOM 1568 CG LYS A 99 -3.004 14.872 6.367 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.192 16.146 7.203 1.00 0.00 C ATOM 1570 CE LYS A 99 -3.802 15.845 8.580 1.00 0.00 C ATOM 1571 NZ LYS A 99 -4.103 17.093 9.331 1.00 0.00 N ATOM 0 H LYS A 99 -0.912 14.442 4.775 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.367 15.242 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.092 12.923 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.221 13.650 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.700 15.161 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.969 14.373 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.229 16.640 7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.837 16.841 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.717 15.266 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.112 15.230 9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.513 16.851 10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.226 17.633 9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.781 17.668 8.791 1.00 0.00 H new ATOM 1585 N TYR A 100 1.039 12.383 6.753 1.00 0.00 N ATOM 1586 CA TYR A 100 1.952 11.336 7.236 1.00 0.00 C ATOM 1587 C TYR A 100 3.251 11.209 6.420 1.00 0.00 C ATOM 1588 O TYR A 100 4.242 10.741 6.974 1.00 0.00 O ATOM 1589 CB TYR A 100 1.198 10.001 7.333 1.00 0.00 C ATOM 1590 CG TYR A 100 0.282 9.758 6.156 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.781 9.152 4.993 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -1.037 10.248 6.189 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -0.029 9.067 3.854 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.839 10.184 5.039 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.339 9.599 3.858 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.145 9.485 2.766 1.00 0.00 O ATOM 0 H TYR A 100 0.929 12.370 5.739 1.00 0.00 H new ATOM 0 HA TYR A 100 2.286 11.635 8.229 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.919 9.186 7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.612 9.986 8.252 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.785 8.753 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.432 10.673 7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.351 8.590 2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.842 10.584 5.059 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.009 9.908 2.952 1.00 0.00 H new ATOM 1606 N GLU A 101 3.318 11.681 5.168 1.00 0.00 N ATOM 1607 CA GLU A 101 4.597 11.894 4.458 1.00 0.00 C ATOM 1608 C GLU A 101 5.515 12.892 5.200 1.00 0.00 C ATOM 1609 O GLU A 101 6.727 12.675 5.277 1.00 0.00 O ATOM 1610 CB GLU A 101 4.300 12.332 3.011 1.00 0.00 C ATOM 1611 CG GLU A 101 5.448 12.960 2.206 1.00 0.00 C ATOM 1612 CD GLU A 101 6.429 11.968 1.567 1.00 0.00 C ATOM 1613 OE1 GLU A 101 6.079 11.430 0.493 1.00 0.00 O ATOM 1614 OE2 GLU A 101 7.561 11.800 2.077 1.00 0.00 O ATOM 0 H GLU A 101 2.495 11.926 4.617 1.00 0.00 H new ATOM 0 HA GLU A 101 5.151 10.956 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.944 11.460 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.479 13.048 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.019 13.579 1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.008 13.625 2.864 1.00 0.00 H new ATOM 1621 N ASP A 102 4.946 13.939 5.818 1.00 0.00 N ATOM 1622 CA ASP A 102 5.690 14.953 6.591 1.00 0.00 C ATOM 1623 C ASP A 102 6.531 14.365 7.745 1.00 0.00 C ATOM 1624 O ASP A 102 7.485 15.001 8.201 1.00 0.00 O ATOM 1625 CB ASP A 102 4.753 16.056 7.121 1.00 0.00 C ATOM 1626 CG ASP A 102 4.314 17.101 6.071 1.00 0.00 C ATOM 1627 OD1 ASP A 102 4.770 17.061 4.903 1.00 0.00 O ATOM 1628 OD2 ASP A 102 3.550 18.023 6.446 1.00 0.00 O ATOM 0 H ASP A 102 3.941 14.110 5.796 1.00 0.00 H new ATOM 0 HA ASP A 102 6.396 15.391 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.862 15.586 7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.253 16.574 7.940 1.00 0.00 H new ATOM 1633 N ARG A 103 6.191 13.155 8.216 1.00 0.00 N ATOM 1634 CA ARG A 103 6.927 12.392 9.239 1.00 0.00 C ATOM 1635 C ARG A 103 8.382 12.096 8.835 1.00 0.00 C ATOM 1636 O ARG A 103 9.252 12.081 9.701 1.00 0.00 O ATOM 1637 CB ARG A 103 6.120 11.107 9.534 1.00 0.00 C ATOM 1638 CG ARG A 103 6.317 10.456 10.914 1.00 0.00 C ATOM 1639 CD ARG A 103 7.589 9.611 11.062 1.00 0.00 C ATOM 1640 NE ARG A 103 7.518 8.738 12.249 1.00 0.00 N ATOM 1641 CZ ARG A 103 8.395 7.813 12.600 1.00 0.00 C ATOM 1642 NH1 ARG A 103 9.489 7.598 11.933 1.00 0.00 N ATOM 1643 NH2 ARG A 103 8.183 7.069 13.648 1.00 0.00 N ATOM 0 H ARG A 103 5.363 12.661 7.882 1.00 0.00 H new ATOM 0 HA ARG A 103 7.017 12.990 10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.061 11.338 9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.371 10.368 8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.332 11.241 11.670 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.454 9.825 11.127 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.730 9.003 10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.456 10.266 11.141 1.00 0.00 H new ATOM 0 HE ARG A 103 6.711 8.860 12.861 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.698 8.154 11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.139 6.874 12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.337 7.198 14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.863 6.357 13.914 1.00 0.00 H new ATOM 1657 N GLU A 104 8.662 11.914 7.538 1.00 0.00 N ATOM 1658 CA GLU A 104 9.976 11.465 7.031 1.00 0.00 C ATOM 1659 C GLU A 104 10.578 12.363 5.937 1.00 0.00 C ATOM 1660 O GLU A 104 11.775 12.659 5.981 1.00 0.00 O ATOM 1661 CB GLU A 104 9.858 10.052 6.446 1.00 0.00 C ATOM 1662 CG GLU A 104 9.541 8.968 7.475 1.00 0.00 C ATOM 1663 CD GLU A 104 10.661 8.826 8.528 1.00 0.00 C ATOM 1664 OE1 GLU A 104 11.826 8.547 8.157 1.00 0.00 O ATOM 1665 OE2 GLU A 104 10.381 9.010 9.736 1.00 0.00 O ATOM 0 H GLU A 104 7.978 12.075 6.798 1.00 0.00 H new ATOM 0 HA GLU A 104 10.639 11.504 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.079 10.051 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.793 9.799 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.602 9.206 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.399 8.015 6.966 1.00 0.00 H new ATOM 1672 N LYS A 105 9.760 12.804 4.969 1.00 0.00 N ATOM 1673 CA LYS A 105 10.132 13.645 3.812 1.00 0.00 C ATOM 1674 C LYS A 105 11.424 13.239 3.071 1.00 0.00 C ATOM 1675 O LYS A 105 12.187 14.094 2.621 1.00 0.00 O ATOM 1676 CB LYS A 105 10.143 15.121 4.248 1.00 0.00 C ATOM 1677 CG LYS A 105 8.778 15.612 4.745 1.00 0.00 C ATOM 1678 CD LYS A 105 8.752 17.124 5.021 1.00 0.00 C ATOM 1679 CE LYS A 105 9.685 17.516 6.176 1.00 0.00 C ATOM 1680 NZ LYS A 105 9.655 18.981 6.429 1.00 0.00 N ATOM 0 H LYS A 105 8.766 12.573 4.969 1.00 0.00 H new ATOM 0 HA LYS A 105 9.366 13.481 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.880 15.254 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.461 15.739 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.018 15.370 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.515 15.076 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.046 17.662 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.733 17.431 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.390 16.984 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.704 17.207 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.296 19.211 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.961 19.487 5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.687 19.271 6.676 1.00 0.00 H new ATOM 1694 N GLU A 106 11.681 11.939 2.899 1.00 0.00 N ATOM 1695 CA GLU A 106 12.861 11.408 2.177 1.00 0.00 C ATOM 1696 C GLU A 106 12.767 11.506 0.630 1.00 0.00 C ATOM 1697 O GLU A 106 13.453 10.783 -0.099 1.00 0.00 O ATOM 1698 CB GLU A 106 13.176 9.974 2.650 1.00 0.00 C ATOM 1699 CG GLU A 106 13.598 9.933 4.125 1.00 0.00 C ATOM 1700 CD GLU A 106 14.283 8.598 4.474 1.00 0.00 C ATOM 1701 OE1 GLU A 106 13.616 7.537 4.449 1.00 0.00 O ATOM 1702 OE2 GLU A 106 15.505 8.600 4.770 1.00 0.00 O ATOM 0 H GLU A 106 11.070 11.207 3.260 1.00 0.00 H new ATOM 0 HA GLU A 106 13.696 12.059 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.298 9.344 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.972 9.556 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.278 10.759 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.723 10.072 4.760 1.00 0.00 H new ATOM 1709 N LEU A 107 11.915 12.399 0.110 1.00 0.00 N ATOM 1710 CA LEU A 107 11.849 12.797 -1.304 1.00 0.00 C ATOM 1711 C LEU A 107 13.155 13.449 -1.825 1.00 0.00 C ATOM 1712 O LEU A 107 14.065 13.768 -1.051 1.00 0.00 O ATOM 1713 CB LEU A 107 10.583 13.660 -1.520 1.00 0.00 C ATOM 1714 CG LEU A 107 10.413 14.930 -0.653 1.00 0.00 C ATOM 1715 CD1 LEU A 107 11.404 16.046 -0.989 1.00 0.00 C ATOM 1716 CD2 LEU A 107 9.004 15.490 -0.855 1.00 0.00 C ATOM 0 H LEU A 107 11.225 12.884 0.685 1.00 0.00 H new ATOM 0 HA LEU A 107 11.761 11.901 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.561 13.965 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.713 13.024 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 107 10.597 14.620 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 107 11.222 16.902 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 107 12.422 15.686 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 107 11.275 16.346 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 107 8.878 16.385 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.860 15.742 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.269 14.742 -0.557 1.00 0.00 H new ATOM 1728 N HIS A 108 13.243 13.663 -3.147 1.00 0.00 N ATOM 1729 CA HIS A 108 14.477 14.087 -3.846 1.00 0.00 C ATOM 1730 C HIS A 108 14.376 15.431 -4.599 1.00 0.00 C ATOM 1731 O HIS A 108 15.409 16.041 -4.889 1.00 0.00 O ATOM 1732 CB HIS A 108 14.900 12.936 -4.782 1.00 0.00 C ATOM 1733 CG HIS A 108 16.214 13.158 -5.494 1.00 0.00 C ATOM 1734 ND1 HIS A 108 16.379 13.438 -6.840 1.00 0.00 N ATOM 1735 CD2 HIS A 108 17.456 13.126 -4.920 1.00 0.00 C ATOM 1736 CE1 HIS A 108 17.699 13.578 -7.079 1.00 0.00 C ATOM 1737 NE2 HIS A 108 18.372 13.392 -5.925 1.00 0.00 N ATOM 0 H HIS A 108 12.448 13.546 -3.775 1.00 0.00 H new ATOM 0 HA HIS A 108 15.237 14.284 -3.090 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.968 12.017 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.119 12.785 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 108 17.680 12.931 -3.882 1.00 0.00 H new ATOM 0 HE1 HIS A 108 18.144 13.802 -8.037 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.385 13.439 -5.811 1.00 0.00 H new ATOM 1746 N GLN A 109 13.162 15.904 -4.915 1.00 0.00 N ATOM 1747 CA GLN A 109 12.909 17.178 -5.620 1.00 0.00 C ATOM 1748 C GLN A 109 13.375 18.408 -4.812 1.00 0.00 C ATOM 1749 O GLN A 109 13.016 18.520 -3.616 1.00 0.00 O ATOM 1750 CB GLN A 109 11.421 17.256 -6.006 1.00 0.00 C ATOM 1751 CG GLN A 109 11.127 18.450 -6.933 1.00 0.00 C ATOM 1752 CD GLN A 109 9.680 18.513 -7.443 1.00 0.00 C ATOM 1753 OE1 GLN A 109 8.825 17.682 -7.152 1.00 0.00 O ATOM 1754 NE2 GLN A 109 9.340 19.510 -8.237 1.00 0.00 N ATOM 1755 OXT GLN A 109 14.093 19.259 -5.384 1.00 0.00 O ATOM 0 H GLN A 109 12.305 15.402 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 109 13.508 17.196 -6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 109 11.126 16.331 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.816 17.341 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 109 11.352 19.373 -6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 109 11.800 18.404 -7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 109 10.031 20.215 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.386 19.576 -8.593 1.00 0.00 H new TER 1764 GLN A 109