USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=20 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 -177:sc= 1.23 USER MOD Set 1.2: A 39 THR OG1 : rot -161:sc= 1.1 USER MOD Set 2.1: A 3 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0) USER MOD Set 2.2: A 61 ASN : amide:sc= 1.3 K(o=2.9,f=-4.2!) USER MOD Set 2.3: A 64 GLN : amide:sc= 0.478 X(o=2.9,f=2.5) USER MOD Single : A 1 GLU N :NH3+ 177:sc= 1.19 (180deg=1.14) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 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=-0.13) USER MOD Single : A 12 ASN : amide:sc= -0.867! K(o=-0.87!,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.76 K(o=0.76,f=-0.74) USER MOD Single : A 24 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.52) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=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= 0.98 K(o=0.98,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -64:sc= 0.183 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= 1.29 (180deg=0.174) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.78 K(o=0.78,f=-4.7!) USER MOD Single : A 77 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.16) USER MOD Single : A 78 HIS : no HD1:sc=-0.00851 X(o=-0.0085,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=-0.33) 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 -155:sc= 0.137 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -11:sc= 0.0101 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -156:sc= 0.0759 (180deg=0.0013) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 0:sc= -0.105 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -20.322 -6.896 6.107 1.00 0.00 N ATOM 2 CA GLU A 1 -20.058 -7.844 4.995 1.00 0.00 C ATOM 3 C GLU A 1 -19.139 -8.969 5.473 1.00 0.00 C ATOM 4 O GLU A 1 -18.110 -8.707 6.098 1.00 0.00 O ATOM 5 CB GLU A 1 -19.447 -7.152 3.756 1.00 0.00 C ATOM 6 CG GLU A 1 -20.465 -6.427 2.859 1.00 0.00 C ATOM 7 CD GLU A 1 -20.890 -5.046 3.391 1.00 0.00 C ATOM 8 OE1 GLU A 1 -21.487 -4.986 4.492 1.00 0.00 O ATOM 9 OE2 GLU A 1 -20.636 -4.023 2.713 1.00 0.00 O ATOM 0 H1 GLU A 1 -20.905 -6.108 5.760 1.00 0.00 H new ATOM 0 H2 GLU A 1 -20.826 -7.389 6.872 1.00 0.00 H new ATOM 0 H3 GLU A 1 -19.420 -6.526 6.469 1.00 0.00 H new ATOM 0 HA GLU A 1 -21.020 -8.256 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -18.700 -6.432 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -18.925 -7.900 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -20.037 -6.307 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.351 -7.053 2.751 1.00 0.00 H new ATOM 18 N GLU A 2 -19.508 -10.226 5.216 1.00 0.00 N ATOM 19 CA GLU A 2 -18.746 -11.409 5.644 1.00 0.00 C ATOM 20 C GLU A 2 -17.380 -11.517 4.939 1.00 0.00 C ATOM 21 O GLU A 2 -17.299 -11.512 3.706 1.00 0.00 O ATOM 22 CB GLU A 2 -19.554 -12.695 5.379 1.00 0.00 C ATOM 23 CG GLU A 2 -20.674 -12.960 6.398 1.00 0.00 C ATOM 24 CD GLU A 2 -21.775 -11.880 6.399 1.00 0.00 C ATOM 25 OE1 GLU A 2 -22.412 -11.651 5.341 1.00 0.00 O ATOM 26 OE2 GLU A 2 -22.008 -11.245 7.456 1.00 0.00 O ATOM 0 H GLU A 2 -20.356 -10.457 4.698 1.00 0.00 H new ATOM 0 HA GLU A 2 -18.565 -11.293 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.992 -12.636 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.872 -13.545 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.127 -13.928 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.239 -13.024 7.395 1.00 0.00 H new ATOM 33 N LYS A 3 -16.319 -11.690 5.738 1.00 0.00 N ATOM 34 CA LYS A 3 -14.957 -12.083 5.331 1.00 0.00 C ATOM 35 C LYS A 3 -14.328 -12.994 6.399 1.00 0.00 C ATOM 36 O LYS A 3 -14.886 -13.170 7.486 1.00 0.00 O ATOM 37 CB LYS A 3 -14.068 -10.840 5.086 1.00 0.00 C ATOM 38 CG LYS A 3 -14.478 -10.003 3.863 1.00 0.00 C ATOM 39 CD LYS A 3 -13.317 -9.102 3.409 1.00 0.00 C ATOM 40 CE LYS A 3 -13.687 -8.198 2.226 1.00 0.00 C ATOM 41 NZ LYS A 3 -14.482 -7.019 2.651 1.00 0.00 N ATOM 0 H LYS A 3 -16.389 -11.552 6.746 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.026 -12.634 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.097 -10.206 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.035 -11.165 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.774 -10.662 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.346 -9.391 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.996 -8.482 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.468 -9.726 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.777 -7.861 1.729 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.255 -8.773 1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.452 -6.294 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.468 -7.306 2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.084 -6.630 3.529 1.00 0.00 H new ATOM 55 N TYR A 4 -13.148 -13.535 6.098 1.00 0.00 N ATOM 56 CA TYR A 4 -12.335 -14.373 6.990 1.00 0.00 C ATOM 57 C TYR A 4 -10.949 -13.739 7.215 1.00 0.00 C ATOM 58 O TYR A 4 -10.563 -12.795 6.518 1.00 0.00 O ATOM 59 CB TYR A 4 -12.250 -15.796 6.409 1.00 0.00 C ATOM 60 CG TYR A 4 -13.560 -16.567 6.478 1.00 0.00 C ATOM 61 CD1 TYR A 4 -14.557 -16.375 5.497 1.00 0.00 C ATOM 62 CD2 TYR A 4 -13.793 -17.461 7.543 1.00 0.00 C ATOM 63 CE1 TYR A 4 -15.788 -17.054 5.591 1.00 0.00 C ATOM 64 CE2 TYR A 4 -15.015 -18.156 7.629 1.00 0.00 C ATOM 65 CZ TYR A 4 -16.018 -17.952 6.657 1.00 0.00 C ATOM 66 OH TYR A 4 -17.200 -18.624 6.756 1.00 0.00 O ATOM 0 H TYR A 4 -12.710 -13.397 5.187 1.00 0.00 H new ATOM 0 HA TYR A 4 -12.805 -14.440 7.971 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.929 -15.735 5.369 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -11.483 -16.353 6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -14.375 -15.704 4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -13.033 -17.613 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -16.555 -16.888 4.849 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -15.185 -18.847 8.441 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.184 -19.199 7.549 1.00 0.00 H new ATOM 76 N THR A 5 -10.212 -14.221 8.219 1.00 0.00 N ATOM 77 CA THR A 5 -8.905 -13.668 8.627 1.00 0.00 C ATOM 78 C THR A 5 -7.840 -13.764 7.519 1.00 0.00 C ATOM 79 O THR A 5 -7.896 -14.628 6.637 1.00 0.00 O ATOM 80 CB THR A 5 -8.398 -14.336 9.918 1.00 0.00 C ATOM 81 OG1 THR A 5 -8.390 -15.742 9.791 1.00 0.00 O ATOM 82 CG2 THR A 5 -9.290 -13.998 11.116 1.00 0.00 C ATOM 0 H THR A 5 -10.505 -15.018 8.784 1.00 0.00 H new ATOM 0 HA THR A 5 -9.070 -12.608 8.818 1.00 0.00 H new ATOM 0 HB THR A 5 -7.389 -13.956 10.081 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.063 -16.144 10.623 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.901 -14.487 12.009 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.300 -12.919 11.269 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.305 -14.347 10.924 1.00 0.00 H new ATOM 90 N THR A 6 -6.853 -12.861 7.548 1.00 0.00 N ATOM 91 CA THR A 6 -5.789 -12.752 6.527 1.00 0.00 C ATOM 92 C THR A 6 -4.707 -13.814 6.745 1.00 0.00 C ATOM 93 O THR A 6 -3.714 -13.563 7.427 1.00 0.00 O ATOM 94 CB THR A 6 -5.183 -11.333 6.501 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.193 -10.387 6.214 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.110 -11.137 5.423 1.00 0.00 C ATOM 0 H THR A 6 -6.764 -12.170 8.293 1.00 0.00 H new ATOM 0 HA THR A 6 -6.242 -12.934 5.553 1.00 0.00 H new ATOM 0 HB THR A 6 -4.732 -11.198 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.804 -9.487 6.200 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.732 -10.116 5.467 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.291 -11.835 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.544 -11.321 4.440 1.00 0.00 H new ATOM 104 N LYS A 7 -4.903 -15.014 6.182 1.00 0.00 N ATOM 105 CA LYS A 7 -3.948 -16.134 6.216 1.00 0.00 C ATOM 106 C LYS A 7 -4.040 -17.021 4.968 1.00 0.00 C ATOM 107 O LYS A 7 -5.067 -17.643 4.699 1.00 0.00 O ATOM 108 CB LYS A 7 -4.080 -16.947 7.526 1.00 0.00 C ATOM 109 CG LYS A 7 -5.470 -17.064 8.196 1.00 0.00 C ATOM 110 CD LYS A 7 -6.604 -17.652 7.344 1.00 0.00 C ATOM 111 CE LYS A 7 -6.351 -19.121 6.978 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.236 -19.557 5.868 1.00 0.00 N ATOM 0 H LYS A 7 -5.758 -15.241 5.674 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.947 -15.702 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.725 -17.958 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.398 -16.510 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.365 -17.677 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.773 -16.070 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.545 -17.572 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.713 -17.065 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.308 -19.252 6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.521 -19.751 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.043 -20.554 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.230 -19.453 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.055 -18.970 5.029 1.00 0.00 H new ATOM 126 N TYR A 8 -2.940 -17.098 4.223 1.00 0.00 N ATOM 127 CA TYR A 8 -2.796 -17.926 3.020 1.00 0.00 C ATOM 128 C TYR A 8 -1.356 -18.447 2.934 1.00 0.00 C ATOM 129 O TYR A 8 -0.418 -17.653 2.975 1.00 0.00 O ATOM 130 CB TYR A 8 -3.150 -17.094 1.774 1.00 0.00 C ATOM 131 CG TYR A 8 -4.609 -16.672 1.683 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.548 -17.522 1.066 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.030 -15.438 2.224 1.00 0.00 C ATOM 134 CE1 TYR A 8 -6.900 -17.140 0.983 1.00 0.00 C ATOM 135 CE2 TYR A 8 -6.383 -15.054 2.146 1.00 0.00 C ATOM 136 CZ TYR A 8 -7.323 -15.905 1.521 1.00 0.00 C ATOM 137 OH TYR A 8 -8.633 -15.545 1.436 1.00 0.00 O ATOM 0 H TYR A 8 -2.095 -16.571 4.444 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.475 -18.777 3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.526 -16.200 1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.897 -17.671 0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.230 -18.469 0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.312 -14.786 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.616 -17.793 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.702 -14.110 2.563 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.759 -14.668 1.855 1.00 0.00 H new ATOM 147 N ASP A 9 -1.177 -19.771 2.847 1.00 0.00 N ATOM 148 CA ASP A 9 0.128 -20.465 2.796 1.00 0.00 C ATOM 149 C ASP A 9 1.168 -19.958 3.830 1.00 0.00 C ATOM 150 O ASP A 9 2.350 -19.779 3.520 1.00 0.00 O ATOM 151 CB ASP A 9 0.651 -20.488 1.347 1.00 0.00 C ATOM 152 CG ASP A 9 -0.294 -21.246 0.400 1.00 0.00 C ATOM 153 OD1 ASP A 9 -0.430 -22.485 0.547 1.00 0.00 O ATOM 154 OD2 ASP A 9 -0.896 -20.615 -0.502 1.00 0.00 O ATOM 0 H ASP A 9 -1.964 -20.419 2.808 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.040 -21.495 3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.775 -19.465 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.636 -20.955 1.325 1.00 0.00 H new ATOM 159 N ASN A 10 0.720 -19.724 5.072 1.00 0.00 N ATOM 160 CA ASN A 10 1.498 -19.148 6.183 1.00 0.00 C ATOM 161 C ASN A 10 2.112 -17.772 5.879 1.00 0.00 C ATOM 162 O ASN A 10 3.315 -17.541 6.036 1.00 0.00 O ATOM 163 CB ASN A 10 2.480 -20.190 6.761 1.00 0.00 C ATOM 164 CG ASN A 10 1.796 -21.452 7.263 1.00 0.00 C ATOM 165 OD1 ASN A 10 0.768 -21.414 7.927 1.00 0.00 O ATOM 166 ND2 ASN A 10 2.335 -22.614 6.968 1.00 0.00 N ATOM 0 H ASN A 10 -0.239 -19.941 5.344 1.00 0.00 H new ATOM 0 HA ASN A 10 0.796 -18.912 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.205 -20.460 5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.037 -19.737 7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.897 -23.476 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.191 -22.653 6.415 1.00 0.00 H new ATOM 173 N VAL A 11 1.240 -16.837 5.493 1.00 0.00 N ATOM 174 CA VAL A 11 1.554 -15.418 5.265 1.00 0.00 C ATOM 175 C VAL A 11 0.443 -14.547 5.843 1.00 0.00 C ATOM 176 O VAL A 11 -0.730 -14.917 5.807 1.00 0.00 O ATOM 177 CB VAL A 11 1.739 -15.111 3.761 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.398 -13.741 3.592 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.630 -16.121 3.029 1.00 0.00 C ATOM 0 H VAL A 11 0.258 -17.053 5.323 1.00 0.00 H new ATOM 0 HA VAL A 11 2.495 -15.195 5.767 1.00 0.00 H new ATOM 0 HB VAL A 11 0.739 -15.154 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.527 -13.528 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.766 -12.975 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.371 -13.742 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.713 -15.839 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.621 -16.127 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.190 -17.116 3.104 1.00 0.00 H new ATOM 189 N ASN A 12 0.818 -13.395 6.393 1.00 0.00 N ATOM 190 CA ASN A 12 -0.056 -12.347 6.926 1.00 0.00 C ATOM 191 C ASN A 12 0.487 -10.972 6.499 1.00 0.00 C ATOM 192 O ASN A 12 1.643 -10.844 6.089 1.00 0.00 O ATOM 193 CB ASN A 12 -0.056 -12.401 8.469 1.00 0.00 C ATOM 194 CG ASN A 12 -0.990 -13.396 9.149 1.00 0.00 C ATOM 195 OD1 ASN A 12 -1.558 -13.111 10.194 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.162 -14.592 8.645 1.00 0.00 N ATOM 0 H ASN A 12 1.804 -13.150 6.485 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.066 -12.499 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.961 -12.620 8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.302 -11.405 8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.761 -15.266 9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.698 -14.850 7.774 1.00 0.00 H new ATOM 203 N LEU A 13 -0.312 -9.923 6.700 1.00 0.00 N ATOM 204 CA LEU A 13 0.099 -8.531 6.497 1.00 0.00 C ATOM 205 C LEU A 13 1.362 -8.119 7.255 1.00 0.00 C ATOM 206 O LEU A 13 2.183 -7.391 6.708 1.00 0.00 O ATOM 207 CB LEU A 13 -1.066 -7.608 6.894 1.00 0.00 C ATOM 208 CG LEU A 13 -1.686 -6.934 5.671 1.00 0.00 C ATOM 209 CD1 LEU A 13 -2.850 -6.062 6.146 1.00 0.00 C ATOM 210 CD2 LEU A 13 -0.666 -6.050 4.952 1.00 0.00 C ATOM 0 H LEU A 13 -1.278 -10.017 7.013 1.00 0.00 H new ATOM 0 HA LEU A 13 0.350 -8.436 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.827 -8.186 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.709 -6.847 7.588 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.025 -7.702 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.309 -5.570 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.591 -6.685 6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.480 -5.309 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.135 -5.583 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.311 -5.277 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.176 -6.659 4.624 1.00 0.00 H new ATOM 222 N ASP A 14 1.555 -8.589 8.486 1.00 0.00 N ATOM 223 CA ASP A 14 2.753 -8.241 9.256 1.00 0.00 C ATOM 224 C ASP A 14 4.053 -8.722 8.582 1.00 0.00 C ATOM 225 O ASP A 14 5.086 -8.071 8.726 1.00 0.00 O ATOM 226 CB ASP A 14 2.641 -8.779 10.684 1.00 0.00 C ATOM 227 CG ASP A 14 1.490 -8.115 11.462 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.502 -6.872 11.641 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.556 -8.835 11.885 1.00 0.00 O ATOM 0 H ASP A 14 0.904 -9.207 8.971 1.00 0.00 H new ATOM 0 HA ASP A 14 2.810 -7.153 9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.484 -9.857 10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.580 -8.609 11.210 1.00 0.00 H new ATOM 234 N GLU A 15 4.010 -9.801 7.790 1.00 0.00 N ATOM 235 CA GLU A 15 5.131 -10.221 6.939 1.00 0.00 C ATOM 236 C GLU A 15 5.310 -9.288 5.723 1.00 0.00 C ATOM 237 O GLU A 15 6.437 -9.038 5.320 1.00 0.00 O ATOM 238 CB GLU A 15 4.925 -11.679 6.482 1.00 0.00 C ATOM 239 CG GLU A 15 6.147 -12.302 5.780 1.00 0.00 C ATOM 240 CD GLU A 15 7.386 -12.529 6.674 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.239 -12.869 7.874 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.524 -12.400 6.156 1.00 0.00 O ATOM 0 H GLU A 15 3.194 -10.409 7.721 1.00 0.00 H new ATOM 0 HA GLU A 15 6.045 -10.157 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.670 -12.287 7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.072 -11.718 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.849 -13.260 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.434 -11.658 4.949 1.00 0.00 H new ATOM 249 N ILE A 16 4.231 -8.734 5.158 1.00 0.00 N ATOM 250 CA ILE A 16 4.253 -7.866 3.955 1.00 0.00 C ATOM 251 C ILE A 16 5.131 -6.635 4.189 1.00 0.00 C ATOM 252 O ILE A 16 6.155 -6.474 3.524 1.00 0.00 O ATOM 253 CB ILE A 16 2.802 -7.575 3.453 1.00 0.00 C ATOM 254 CG1 ILE A 16 2.143 -8.873 2.932 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.715 -6.507 2.362 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.873 -9.504 1.728 1.00 0.00 C ATOM 0 H ILE A 16 3.291 -8.875 5.527 1.00 0.00 H new ATOM 0 HA ILE A 16 4.730 -8.389 3.126 1.00 0.00 H new ATOM 0 HB ILE A 16 2.271 -7.185 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.104 -9.600 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.113 -8.657 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.674 -6.367 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.115 -5.567 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.294 -6.825 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.351 -10.410 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.889 -8.795 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.895 -9.753 2.012 1.00 0.00 H new ATOM 268 N LEU A 17 4.832 -5.834 5.206 1.00 0.00 N ATOM 269 CA LEU A 17 5.646 -4.658 5.573 1.00 0.00 C ATOM 270 C LEU A 17 7.048 -5.045 6.082 1.00 0.00 C ATOM 271 O LEU A 17 8.012 -4.319 5.832 1.00 0.00 O ATOM 272 CB LEU A 17 4.942 -3.769 6.625 1.00 0.00 C ATOM 273 CG LEU A 17 3.842 -4.454 7.459 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.559 -3.721 8.760 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.522 -4.397 6.701 1.00 0.00 C ATOM 0 H LEU A 17 4.019 -5.974 5.806 1.00 0.00 H new ATOM 0 HA LEU A 17 5.763 -4.087 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.698 -3.379 7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.502 -2.913 6.113 1.00 0.00 H new ATOM 0 HG LEU A 17 4.198 -5.466 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.777 -4.244 9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.466 -3.687 9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.231 -2.705 8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.743 -4.881 7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.249 -3.357 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.628 -4.912 5.746 1.00 0.00 H new ATOM 287 N ALA A 18 7.175 -6.173 6.792 1.00 0.00 N ATOM 288 CA ALA A 18 8.455 -6.661 7.320 1.00 0.00 C ATOM 289 C ALA A 18 9.393 -7.244 6.240 1.00 0.00 C ATOM 290 O ALA A 18 10.598 -7.380 6.474 1.00 0.00 O ATOM 291 CB ALA A 18 8.171 -7.710 8.398 1.00 0.00 C ATOM 0 H ALA A 18 6.385 -6.778 7.018 1.00 0.00 H new ATOM 0 HA ALA A 18 8.984 -5.803 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.113 -8.083 8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.587 -7.259 9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.610 -8.537 7.962 1.00 0.00 H new ATOM 297 N ASN A 19 8.856 -7.577 5.063 1.00 0.00 N ATOM 298 CA ASN A 19 9.536 -8.268 3.975 1.00 0.00 C ATOM 299 C ASN A 19 9.376 -7.462 2.679 1.00 0.00 C ATOM 300 O ASN A 19 8.496 -7.723 1.857 1.00 0.00 O ATOM 301 CB ASN A 19 8.994 -9.703 3.857 1.00 0.00 C ATOM 302 CG ASN A 19 9.988 -10.650 3.223 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.621 -10.347 2.223 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.171 -11.814 3.800 1.00 0.00 N ATOM 0 H ASN A 19 7.886 -7.359 4.836 1.00 0.00 H new ATOM 0 HA ASN A 19 10.604 -8.345 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.730 -10.070 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.078 -9.694 3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.846 -12.474 3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.638 -12.059 4.635 1.00 0.00 H new ATOM 311 N ASP A 20 10.230 -6.457 2.482 1.00 0.00 N ATOM 312 CA ASP A 20 10.198 -5.609 1.285 1.00 0.00 C ATOM 313 C ASP A 20 10.274 -6.404 -0.032 1.00 0.00 C ATOM 314 O ASP A 20 9.744 -5.961 -1.049 1.00 0.00 O ATOM 315 CB ASP A 20 11.313 -4.558 1.347 1.00 0.00 C ATOM 316 CG ASP A 20 12.719 -5.151 1.147 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.237 -5.807 2.081 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.302 -4.960 0.054 1.00 0.00 O ATOM 0 H ASP A 20 10.963 -6.206 3.145 1.00 0.00 H new ATOM 0 HA ASP A 20 9.228 -5.112 1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.133 -3.802 0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.273 -4.052 2.312 1.00 0.00 H new ATOM 323 N ARG A 21 10.879 -7.598 -0.010 1.00 0.00 N ATOM 324 CA ARG A 21 10.920 -8.543 -1.143 1.00 0.00 C ATOM 325 C ARG A 21 9.521 -9.011 -1.574 1.00 0.00 C ATOM 326 O ARG A 21 9.277 -9.173 -2.770 1.00 0.00 O ATOM 327 CB ARG A 21 11.819 -9.763 -0.836 1.00 0.00 C ATOM 328 CG ARG A 21 13.061 -9.459 0.025 1.00 0.00 C ATOM 329 CD ARG A 21 14.001 -10.664 0.165 1.00 0.00 C ATOM 330 NE ARG A 21 14.826 -10.884 -1.043 1.00 0.00 N ATOM 331 CZ ARG A 21 14.709 -11.838 -1.950 1.00 0.00 C ATOM 332 NH1 ARG A 21 13.751 -12.721 -1.920 1.00 0.00 N ATOM 333 NH2 ARG A 21 15.571 -11.922 -2.923 1.00 0.00 N ATOM 0 H ARG A 21 11.367 -7.946 0.815 1.00 0.00 H new ATOM 0 HA ARG A 21 11.354 -7.992 -1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.219 -10.518 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.148 -10.199 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.609 -8.627 -0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.740 -9.138 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.654 -10.513 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.412 -11.559 0.366 1.00 0.00 H new ATOM 0 HE ARG A 21 15.581 -10.215 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.054 -12.692 -1.176 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.698 -13.441 -2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.337 -11.251 -2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.480 -12.659 -3.623 1.00 0.00 H new ATOM 347 N LEU A 22 8.593 -9.178 -0.622 1.00 0.00 N ATOM 348 CA LEU A 22 7.158 -9.351 -0.891 1.00 0.00 C ATOM 349 C LEU A 22 6.537 -8.020 -1.330 1.00 0.00 C ATOM 350 O LEU A 22 5.873 -7.957 -2.363 1.00 0.00 O ATOM 351 CB LEU A 22 6.408 -9.844 0.368 1.00 0.00 C ATOM 352 CG LEU A 22 6.940 -11.128 1.019 1.00 0.00 C ATOM 353 CD1 LEU A 22 6.175 -11.440 2.302 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.771 -12.349 0.132 1.00 0.00 C ATOM 0 H LEU A 22 8.821 -9.197 0.372 1.00 0.00 H new ATOM 0 HA LEU A 22 7.062 -10.094 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.431 -9.048 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.363 -10.003 0.103 1.00 0.00 H new ATOM 0 HG LEU A 22 7.997 -10.939 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.568 -12.354 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.291 -10.615 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.118 -11.574 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.165 -13.227 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.713 -12.498 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.314 -12.199 -0.801 1.00 0.00 H new ATOM 366 N LEU A 23 6.783 -6.950 -0.562 1.00 0.00 N ATOM 367 CA LEU A 23 6.169 -5.629 -0.748 1.00 0.00 C ATOM 368 C LEU A 23 6.367 -5.092 -2.178 1.00 0.00 C ATOM 369 O LEU A 23 5.424 -4.606 -2.799 1.00 0.00 O ATOM 370 CB LEU A 23 6.739 -4.664 0.316 1.00 0.00 C ATOM 371 CG LEU A 23 5.824 -3.530 0.774 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.312 -2.705 -0.404 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.672 -4.107 1.579 1.00 0.00 C ATOM 0 H LEU A 23 7.431 -6.980 0.225 1.00 0.00 H new ATOM 0 HA LEU A 23 5.091 -5.716 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.019 -5.250 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.655 -4.224 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 23 6.400 -2.853 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.665 -1.909 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.157 -2.269 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.748 -3.347 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.017 -3.300 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.107 -4.803 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.064 -4.633 2.450 1.00 0.00 H new ATOM 385 N ASN A 24 7.564 -5.264 -2.746 1.00 0.00 N ATOM 386 CA ASN A 24 7.900 -4.870 -4.120 1.00 0.00 C ATOM 387 C ASN A 24 6.911 -5.412 -5.169 1.00 0.00 C ATOM 388 O ASN A 24 6.654 -4.721 -6.150 1.00 0.00 O ATOM 389 CB ASN A 24 9.345 -5.288 -4.450 1.00 0.00 C ATOM 390 CG ASN A 24 10.346 -4.198 -4.114 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.750 -3.406 -4.953 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.768 -4.105 -2.877 1.00 0.00 N ATOM 0 H ASN A 24 8.347 -5.692 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 24 7.818 -3.784 -4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.596 -6.193 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.418 -5.532 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.431 -3.374 -2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.434 -4.763 -2.173 1.00 0.00 H new ATOM 399 N LYS A 25 6.305 -6.586 -4.953 1.00 0.00 N ATOM 400 CA LYS A 25 5.282 -7.178 -5.841 1.00 0.00 C ATOM 401 C LYS A 25 3.936 -6.452 -5.713 1.00 0.00 C ATOM 402 O LYS A 25 3.269 -6.176 -6.710 1.00 0.00 O ATOM 403 CB LYS A 25 5.092 -8.674 -5.510 1.00 0.00 C ATOM 404 CG LYS A 25 6.405 -9.482 -5.478 1.00 0.00 C ATOM 405 CD LYS A 25 6.205 -10.930 -5.001 1.00 0.00 C ATOM 406 CE LYS A 25 5.318 -11.792 -5.912 1.00 0.00 C ATOM 407 NZ LYS A 25 5.957 -12.068 -7.229 1.00 0.00 N ATOM 0 H LYS A 25 6.512 -7.167 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 25 5.634 -7.069 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.600 -8.761 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.423 -9.117 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.845 -9.491 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.117 -8.983 -4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.181 -11.406 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.767 -10.912 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.098 -12.736 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.366 -11.286 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.321 -12.652 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.144 -11.170 -7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.853 -12.575 -7.081 1.00 0.00 H new ATOM 421 N TYR A 26 3.566 -6.107 -4.479 1.00 0.00 N ATOM 422 CA TYR A 26 2.319 -5.423 -4.120 1.00 0.00 C ATOM 423 C TYR A 26 2.288 -3.989 -4.670 1.00 0.00 C ATOM 424 O TYR A 26 1.244 -3.540 -5.143 1.00 0.00 O ATOM 425 CB TYR A 26 2.133 -5.432 -2.588 1.00 0.00 C ATOM 426 CG TYR A 26 1.703 -6.766 -1.988 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.483 -7.928 -2.158 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.504 -6.848 -1.254 1.00 0.00 C ATOM 429 CE1 TYR A 26 2.032 -9.171 -1.681 1.00 0.00 C ATOM 430 CE2 TYR A 26 0.061 -8.084 -0.745 1.00 0.00 C ATOM 431 CZ TYR A 26 0.806 -9.256 -0.986 1.00 0.00 C ATOM 432 OH TYR A 26 0.342 -10.466 -0.576 1.00 0.00 O ATOM 0 H TYR A 26 4.151 -6.304 -3.667 1.00 0.00 H new ATOM 0 HA TYR A 26 1.489 -5.963 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.072 -5.130 -2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.390 -4.679 -2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.437 -7.862 -2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.080 -5.956 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.623 -10.060 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.851 -8.134 -0.169 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.536 -10.354 -0.155 1.00 0.00 H new ATOM 442 N VAL A 27 3.428 -3.286 -4.677 1.00 0.00 N ATOM 443 CA VAL A 27 3.552 -1.952 -5.303 1.00 0.00 C ATOM 444 C VAL A 27 3.595 -2.012 -6.825 1.00 0.00 C ATOM 445 O VAL A 27 2.928 -1.219 -7.483 1.00 0.00 O ATOM 446 CB VAL A 27 4.741 -1.140 -4.753 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.519 -0.846 -3.270 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.088 -1.846 -4.881 1.00 0.00 C ATOM 0 H VAL A 27 4.292 -3.621 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 27 2.640 -1.424 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 27 4.780 -0.233 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.361 -0.272 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.601 -0.272 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.437 -1.784 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.873 -1.210 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.060 -2.787 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.295 -2.047 -5.932 1.00 0.00 H new ATOM 458 N GLN A 28 4.282 -2.994 -7.410 1.00 0.00 N ATOM 459 CA GLN A 28 4.363 -3.194 -8.868 1.00 0.00 C ATOM 460 C GLN A 28 2.986 -3.225 -9.553 1.00 0.00 C ATOM 461 O GLN A 28 2.859 -2.790 -10.696 1.00 0.00 O ATOM 462 CB GLN A 28 5.088 -4.517 -9.127 1.00 0.00 C ATOM 463 CG GLN A 28 5.889 -4.539 -10.433 1.00 0.00 C ATOM 464 CD GLN A 28 6.664 -5.844 -10.642 1.00 0.00 C ATOM 465 OE1 GLN A 28 6.733 -6.725 -9.793 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.281 -6.023 -11.791 1.00 0.00 N ATOM 0 H GLN A 28 4.809 -3.688 -6.880 1.00 0.00 H new ATOM 0 HA GLN A 28 4.902 -2.347 -9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.762 -4.720 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.355 -5.324 -9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.209 -4.389 -11.272 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.589 -3.703 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.236 -5.302 -12.511 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.804 -6.882 -11.961 1.00 0.00 H new ATOM 475 N CYS A 29 1.960 -3.678 -8.822 1.00 0.00 N ATOM 476 CA CYS A 29 0.550 -3.693 -9.207 1.00 0.00 C ATOM 477 C CYS A 29 -0.001 -2.357 -9.749 1.00 0.00 C ATOM 478 O CYS A 29 -0.913 -2.361 -10.579 1.00 0.00 O ATOM 479 CB CYS A 29 -0.246 -4.148 -7.977 1.00 0.00 C ATOM 480 SG CYS A 29 -2.033 -4.346 -8.179 1.00 0.00 S ATOM 0 H CYS A 29 2.105 -4.067 -7.890 1.00 0.00 H new ATOM 0 HA CYS A 29 0.445 -4.377 -10.050 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.164 -5.101 -7.642 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.074 -3.428 -7.177 1.00 0.00 H new ATOM 485 N LEU A 30 0.567 -1.224 -9.316 1.00 0.00 N ATOM 486 CA LEU A 30 0.230 0.115 -9.813 1.00 0.00 C ATOM 487 C LEU A 30 1.451 0.962 -10.234 1.00 0.00 C ATOM 488 O LEU A 30 1.280 1.985 -10.901 1.00 0.00 O ATOM 489 CB LEU A 30 -0.732 0.842 -8.840 1.00 0.00 C ATOM 490 CG LEU A 30 -0.334 1.082 -7.364 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.441 -0.166 -6.485 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.069 1.654 -7.202 1.00 0.00 C ATOM 0 H LEU A 30 1.289 -1.213 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.309 -0.027 -10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.951 1.817 -9.275 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.665 0.279 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.066 1.816 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.146 0.081 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.470 -0.526 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.216 -0.943 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.283 1.798 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.795 0.962 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.133 2.612 -7.718 1.00 0.00 H new ATOM 504 N LEU A 31 2.676 0.540 -9.885 1.00 0.00 N ATOM 505 CA LEU A 31 3.931 1.176 -10.304 1.00 0.00 C ATOM 506 C LEU A 31 4.259 0.843 -11.772 1.00 0.00 C ATOM 507 O LEU A 31 4.591 1.744 -12.544 1.00 0.00 O ATOM 508 CB LEU A 31 5.040 0.814 -9.275 1.00 0.00 C ATOM 509 CG LEU A 31 6.385 0.240 -9.764 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.249 1.270 -10.482 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.190 -0.274 -8.569 1.00 0.00 C ATOM 0 H LEU A 31 2.823 -0.274 -9.288 1.00 0.00 H new ATOM 0 HA LEU A 31 3.844 2.262 -10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.260 1.716 -8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.613 0.093 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 31 6.138 -0.557 -10.466 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.181 0.804 -10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.715 1.648 -11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.469 2.095 -9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.140 -0.679 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.378 0.547 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.627 -1.056 -8.060 1.00 0.00 H new ATOM 523 N GLU A 32 4.127 -0.422 -12.185 1.00 0.00 N ATOM 524 CA GLU A 32 4.373 -0.842 -13.573 1.00 0.00 C ATOM 525 C GLU A 32 3.119 -0.712 -14.463 1.00 0.00 C ATOM 526 O GLU A 32 1.995 -0.532 -13.988 1.00 0.00 O ATOM 527 CB GLU A 32 4.906 -2.289 -13.610 1.00 0.00 C ATOM 528 CG GLU A 32 6.383 -2.405 -13.201 1.00 0.00 C ATOM 529 CD GLU A 32 7.352 -1.638 -14.129 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.057 -1.469 -15.338 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.432 -1.214 -13.654 1.00 0.00 O ATOM 0 H GLU A 32 3.847 -1.185 -11.569 1.00 0.00 H new ATOM 0 HA GLU A 32 5.126 -0.167 -13.980 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.303 -2.908 -12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.783 -2.688 -14.617 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.498 -2.032 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.665 -3.458 -13.188 1.00 0.00 H new ATOM 538 N ASP A 33 3.316 -0.828 -15.780 1.00 0.00 N ATOM 539 CA ASP A 33 2.268 -0.724 -16.809 1.00 0.00 C ATOM 540 C ASP A 33 1.359 -1.977 -16.930 1.00 0.00 C ATOM 541 O ASP A 33 0.476 -2.022 -17.788 1.00 0.00 O ATOM 542 CB ASP A 33 2.957 -0.392 -18.145 1.00 0.00 C ATOM 543 CG ASP A 33 1.983 0.110 -19.229 1.00 0.00 C ATOM 544 OD1 ASP A 33 1.238 1.087 -18.974 1.00 0.00 O ATOM 545 OD2 ASP A 33 2.006 -0.426 -20.365 1.00 0.00 O ATOM 0 H ASP A 33 4.240 -1.003 -16.176 1.00 0.00 H new ATOM 0 HA ASP A 33 1.581 0.069 -16.513 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.720 0.367 -17.973 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.470 -1.281 -18.512 1.00 0.00 H new ATOM 550 N ASP A 34 1.544 -2.995 -16.077 1.00 0.00 N ATOM 551 CA ASP A 34 0.808 -4.270 -16.103 1.00 0.00 C ATOM 552 C ASP A 34 0.362 -4.723 -14.700 1.00 0.00 C ATOM 553 O ASP A 34 1.061 -4.534 -13.701 1.00 0.00 O ATOM 554 CB ASP A 34 1.675 -5.374 -16.730 1.00 0.00 C ATOM 555 CG ASP A 34 1.958 -5.144 -18.224 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.056 -5.407 -19.056 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.097 -4.750 -18.577 1.00 0.00 O ATOM 0 H ASP A 34 2.232 -2.953 -15.325 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.086 -4.101 -16.704 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.621 -5.434 -16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.176 -6.335 -16.605 1.00 0.00 H new ATOM 562 N GLU A 35 -0.797 -5.387 -14.645 1.00 0.00 N ATOM 563 CA GLU A 35 -1.487 -5.795 -13.406 1.00 0.00 C ATOM 564 C GLU A 35 -1.314 -7.281 -13.044 1.00 0.00 C ATOM 565 O GLU A 35 -1.856 -7.765 -12.051 1.00 0.00 O ATOM 566 CB GLU A 35 -2.968 -5.376 -13.474 1.00 0.00 C ATOM 567 CG GLU A 35 -3.766 -6.104 -14.568 1.00 0.00 C ATOM 568 CD GLU A 35 -5.233 -5.634 -14.587 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.545 -4.629 -15.272 1.00 0.00 O ATOM 570 OE2 GLU A 35 -6.090 -6.271 -13.927 1.00 0.00 O ATOM 0 H GLU A 35 -1.301 -5.667 -15.486 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.004 -5.267 -12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.435 -5.567 -12.508 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.025 -4.302 -13.649 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.309 -5.920 -15.540 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.727 -7.180 -14.396 1.00 0.00 H new ATOM 577 N SER A 36 -0.501 -8.006 -13.811 1.00 0.00 N ATOM 578 CA SER A 36 -0.143 -9.416 -13.565 1.00 0.00 C ATOM 579 C SER A 36 0.556 -9.643 -12.212 1.00 0.00 C ATOM 580 O SER A 36 0.566 -10.757 -11.687 1.00 0.00 O ATOM 581 CB SER A 36 0.779 -9.926 -14.679 1.00 0.00 C ATOM 582 OG SER A 36 0.197 -9.708 -15.958 1.00 0.00 O ATOM 0 H SER A 36 -0.057 -7.625 -14.646 1.00 0.00 H new ATOM 0 HA SER A 36 -1.084 -9.967 -13.548 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.741 -9.418 -14.621 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.971 -10.990 -14.539 1.00 0.00 H new ATOM 0 HG SER A 36 0.803 -10.039 -16.654 1.00 0.00 H new ATOM 588 N ASN A 37 1.142 -8.582 -11.646 1.00 0.00 N ATOM 589 CA ASN A 37 1.879 -8.589 -10.378 1.00 0.00 C ATOM 590 C ASN A 37 0.969 -8.551 -9.130 1.00 0.00 C ATOM 591 O ASN A 37 1.425 -8.857 -8.028 1.00 0.00 O ATOM 592 CB ASN A 37 2.833 -7.381 -10.386 1.00 0.00 C ATOM 593 CG ASN A 37 3.723 -7.350 -11.619 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.535 -8.234 -11.849 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.575 -6.359 -12.473 1.00 0.00 N ATOM 0 H ASN A 37 1.114 -7.658 -12.077 1.00 0.00 H new ATOM 0 HA ASN A 37 2.424 -9.530 -10.306 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.250 -6.461 -10.340 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.457 -7.409 -9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.137 -6.331 -13.324 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.898 -5.620 -12.284 1.00 0.00 H new ATOM 602 N CYS A 38 -0.302 -8.165 -9.286 1.00 0.00 N ATOM 603 CA CYS A 38 -1.270 -8.047 -8.192 1.00 0.00 C ATOM 604 C CYS A 38 -1.638 -9.435 -7.620 1.00 0.00 C ATOM 605 O CYS A 38 -2.257 -10.249 -8.312 1.00 0.00 O ATOM 606 CB CYS A 38 -2.522 -7.328 -8.720 1.00 0.00 C ATOM 607 SG CYS A 38 -2.274 -5.763 -9.609 1.00 0.00 S ATOM 0 H CYS A 38 -0.694 -7.921 -10.196 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.828 -7.471 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.049 -8.013 -9.384 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.181 -7.134 -7.874 1.00 0.00 H new ATOM 612 N THR A 39 -1.266 -9.724 -6.367 1.00 0.00 N ATOM 613 CA THR A 39 -1.607 -10.994 -5.689 1.00 0.00 C ATOM 614 C THR A 39 -3.084 -11.044 -5.267 1.00 0.00 C ATOM 615 O THR A 39 -3.770 -10.018 -5.246 1.00 0.00 O ATOM 616 CB THR A 39 -0.716 -11.241 -4.459 1.00 0.00 C ATOM 617 OG1 THR A 39 -0.975 -10.270 -3.479 1.00 0.00 O ATOM 618 CG2 THR A 39 0.779 -11.199 -4.779 1.00 0.00 C ATOM 0 H THR A 39 -0.719 -9.087 -5.788 1.00 0.00 H new ATOM 0 HA THR A 39 -1.427 -11.783 -6.419 1.00 0.00 H new ATOM 0 HB THR A 39 -0.960 -12.243 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.228 -10.237 -2.846 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.351 -11.381 -3.869 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.015 -11.967 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.038 -10.219 -5.181 1.00 0.00 H new ATOM 626 N ALA A 40 -3.579 -12.232 -4.896 1.00 0.00 N ATOM 627 CA ALA A 40 -4.973 -12.475 -4.492 1.00 0.00 C ATOM 628 C ALA A 40 -5.482 -11.597 -3.325 1.00 0.00 C ATOM 629 O ALA A 40 -6.686 -11.354 -3.219 1.00 0.00 O ATOM 630 CB ALA A 40 -5.121 -13.967 -4.162 1.00 0.00 C ATOM 0 H ALA A 40 -3.006 -13.075 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.604 -12.186 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.148 -14.173 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.877 -14.560 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.444 -14.229 -3.349 1.00 0.00 H new ATOM 636 N ASP A 41 -4.580 -11.091 -2.478 1.00 0.00 N ATOM 637 CA ASP A 41 -4.874 -10.174 -1.366 1.00 0.00 C ATOM 638 C ASP A 41 -4.222 -8.788 -1.536 1.00 0.00 C ATOM 639 O ASP A 41 -4.782 -7.788 -1.079 1.00 0.00 O ATOM 640 CB ASP A 41 -4.485 -10.832 -0.032 1.00 0.00 C ATOM 641 CG ASP A 41 -2.995 -11.203 0.042 1.00 0.00 C ATOM 642 OD1 ASP A 41 -2.180 -10.359 0.480 1.00 0.00 O ATOM 643 OD2 ASP A 41 -2.638 -12.341 -0.346 1.00 0.00 O ATOM 0 H ASP A 41 -3.588 -11.316 -2.548 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.948 -9.988 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.726 -10.153 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.085 -11.730 0.112 1.00 0.00 H new ATOM 648 N GLY A 42 -3.114 -8.684 -2.280 1.00 0.00 N ATOM 649 CA GLY A 42 -2.489 -7.412 -2.646 1.00 0.00 C ATOM 650 C GLY A 42 -3.373 -6.542 -3.533 1.00 0.00 C ATOM 651 O GLY A 42 -3.436 -5.328 -3.338 1.00 0.00 O ATOM 0 H GLY A 42 -2.620 -9.496 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.242 -6.861 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.550 -7.611 -3.163 1.00 0.00 H new ATOM 655 N LYS A 43 -4.122 -7.163 -4.454 1.00 0.00 N ATOM 656 CA LYS A 43 -5.136 -6.493 -5.287 1.00 0.00 C ATOM 657 C LYS A 43 -6.258 -5.833 -4.485 1.00 0.00 C ATOM 658 O LYS A 43 -6.760 -4.788 -4.886 1.00 0.00 O ATOM 659 CB LYS A 43 -5.713 -7.500 -6.306 1.00 0.00 C ATOM 660 CG LYS A 43 -6.662 -8.533 -5.659 1.00 0.00 C ATOM 661 CD LYS A 43 -7.000 -9.733 -6.548 1.00 0.00 C ATOM 662 CE LYS A 43 -7.741 -9.322 -7.828 1.00 0.00 C ATOM 663 NZ LYS A 43 -8.119 -10.505 -8.646 1.00 0.00 N ATOM 0 H LYS A 43 -4.041 -8.161 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.630 -5.679 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.251 -6.956 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.892 -8.025 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.208 -8.897 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.589 -8.031 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.081 -10.254 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.614 -10.437 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.637 -8.759 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.109 -8.658 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.618 -10.190 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.262 -11.028 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.742 -11.126 -8.091 1.00 0.00 H new ATOM 677 N GLU A 44 -6.643 -6.424 -3.355 1.00 0.00 N ATOM 678 CA GLU A 44 -7.649 -5.860 -2.456 1.00 0.00 C ATOM 679 C GLU A 44 -7.021 -4.749 -1.606 1.00 0.00 C ATOM 680 O GLU A 44 -7.557 -3.642 -1.581 1.00 0.00 O ATOM 681 CB GLU A 44 -8.263 -6.993 -1.615 1.00 0.00 C ATOM 682 CG GLU A 44 -9.302 -6.535 -0.583 1.00 0.00 C ATOM 683 CD GLU A 44 -10.524 -5.831 -1.208 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.037 -6.287 -2.258 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.995 -4.828 -0.621 1.00 0.00 O ATOM 0 H GLU A 44 -6.263 -7.315 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.460 -5.399 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.731 -7.713 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.461 -7.517 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.643 -7.400 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.825 -5.857 0.124 1.00 0.00 H new ATOM 692 N LEU A 45 -5.844 -4.994 -1.007 1.00 0.00 N ATOM 693 CA LEU A 45 -5.072 -4.020 -0.228 1.00 0.00 C ATOM 694 C LEU A 45 -4.846 -2.724 -1.017 1.00 0.00 C ATOM 695 O LEU A 45 -5.257 -1.654 -0.575 1.00 0.00 O ATOM 696 CB LEU A 45 -3.763 -4.701 0.243 1.00 0.00 C ATOM 697 CG LEU A 45 -2.728 -3.763 0.906 1.00 0.00 C ATOM 698 CD1 LEU A 45 -1.975 -4.446 2.058 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.680 -3.268 -0.097 1.00 0.00 C ATOM 0 H LEU A 45 -5.391 -5.907 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.628 -3.711 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.018 -5.490 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.294 -5.182 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.309 -2.924 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.260 -3.746 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.686 -4.758 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.444 -5.319 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.972 -2.612 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.147 -4.121 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.174 -2.718 -0.898 1.00 0.00 H new ATOM 711 N LYS A 46 -4.292 -2.802 -2.231 1.00 0.00 N ATOM 712 CA LYS A 46 -4.025 -1.616 -3.063 1.00 0.00 C ATOM 713 C LYS A 46 -5.292 -0.897 -3.531 1.00 0.00 C ATOM 714 O LYS A 46 -5.237 0.297 -3.813 1.00 0.00 O ATOM 715 CB LYS A 46 -3.113 -1.984 -4.249 1.00 0.00 C ATOM 716 CG LYS A 46 -3.831 -2.818 -5.326 1.00 0.00 C ATOM 717 CD LYS A 46 -4.319 -2.006 -6.539 1.00 0.00 C ATOM 718 CE LYS A 46 -5.231 -2.876 -7.416 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.700 -2.139 -8.620 1.00 0.00 N ATOM 0 H LYS A 46 -4.016 -3.682 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.505 -0.900 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.729 -1.070 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.253 -2.542 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.154 -3.598 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.686 -3.318 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.860 -1.121 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.466 -1.656 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.693 -3.772 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.091 -3.205 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.313 -2.757 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.235 -1.297 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.880 -1.846 -9.189 1.00 0.00 H new ATOM 733 N SER A 47 -6.412 -1.616 -3.637 1.00 0.00 N ATOM 734 CA SER A 47 -7.710 -1.078 -4.074 1.00 0.00 C ATOM 735 C SER A 47 -8.435 -0.334 -2.945 1.00 0.00 C ATOM 736 O SER A 47 -9.140 0.645 -3.198 1.00 0.00 O ATOM 737 CB SER A 47 -8.587 -2.212 -4.617 1.00 0.00 C ATOM 738 OG SER A 47 -9.785 -1.708 -5.182 1.00 0.00 O ATOM 0 H SER A 47 -6.446 -2.611 -3.417 1.00 0.00 H new ATOM 0 HA SER A 47 -7.520 -0.354 -4.866 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.035 -2.773 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.826 -2.908 -3.813 1.00 0.00 H new ATOM 0 HG SER A 47 -10.325 -2.452 -5.522 1.00 0.00 H new ATOM 744 N VAL A 48 -8.204 -0.726 -1.685 1.00 0.00 N ATOM 745 CA VAL A 48 -8.727 -0.018 -0.506 1.00 0.00 C ATOM 746 C VAL A 48 -7.810 1.117 -0.011 1.00 0.00 C ATOM 747 O VAL A 48 -8.299 2.047 0.631 1.00 0.00 O ATOM 748 CB VAL A 48 -9.078 -1.015 0.614 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.848 -1.687 1.211 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.806 -0.338 1.767 1.00 0.00 C ATOM 0 H VAL A 48 -7.646 -1.548 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.645 0.480 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.714 -1.758 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.156 -2.379 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.318 -2.235 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.189 -0.929 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.035 -1.076 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.172 0.442 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.732 0.106 1.402 1.00 0.00 H new ATOM 760 N ILE A 49 -6.506 1.110 -0.341 1.00 0.00 N ATOM 761 CA ILE A 49 -5.586 2.203 0.031 1.00 0.00 C ATOM 762 C ILE A 49 -6.133 3.582 -0.397 1.00 0.00 C ATOM 763 O ILE A 49 -6.182 4.477 0.449 1.00 0.00 O ATOM 764 CB ILE A 49 -4.133 1.991 -0.493 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.393 0.961 0.391 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.299 3.298 -0.519 1.00 0.00 C ATOM 767 CD1 ILE A 49 -1.999 0.543 -0.101 1.00 0.00 C ATOM 0 H ILE A 49 -6.063 0.357 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.529 2.182 1.119 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.230 1.632 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.295 1.374 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.012 0.068 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.298 3.083 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.782 4.025 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.230 3.706 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.571 -0.181 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.082 0.093 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.354 1.420 -0.154 1.00 0.00 H new ATOM 779 N PRO A 50 -6.581 3.790 -1.657 1.00 0.00 N ATOM 780 CA PRO A 50 -7.101 5.087 -2.091 1.00 0.00 C ATOM 781 C PRO A 50 -8.494 5.384 -1.504 1.00 0.00 C ATOM 782 O PRO A 50 -8.846 6.546 -1.310 1.00 0.00 O ATOM 783 CB PRO A 50 -7.145 5.017 -3.621 1.00 0.00 C ATOM 784 CG PRO A 50 -7.333 3.528 -3.906 1.00 0.00 C ATOM 785 CD PRO A 50 -6.568 2.856 -2.778 1.00 0.00 C ATOM 0 HA PRO A 50 -6.466 5.900 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.965 5.610 -4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.226 5.398 -4.067 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.386 3.247 -3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.935 3.252 -4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.035 1.911 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.546 2.629 -3.083 1.00 0.00 H new ATOM 793 N ASP A 51 -9.284 4.360 -1.160 1.00 0.00 N ATOM 794 CA ASP A 51 -10.575 4.515 -0.465 1.00 0.00 C ATOM 795 C ASP A 51 -10.412 5.118 0.939 1.00 0.00 C ATOM 796 O ASP A 51 -11.262 5.900 1.376 1.00 0.00 O ATOM 797 CB ASP A 51 -11.310 3.166 -0.382 1.00 0.00 C ATOM 798 CG ASP A 51 -12.429 3.039 -1.424 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.158 3.143 -2.643 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.591 2.835 -1.004 1.00 0.00 O ATOM 0 H ASP A 51 -9.045 3.388 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.172 5.213 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.594 2.357 -0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.732 3.047 0.616 1.00 0.00 H new ATOM 805 N ALA A 52 -9.293 4.851 1.620 1.00 0.00 N ATOM 806 CA ALA A 52 -8.929 5.525 2.869 1.00 0.00 C ATOM 807 C ALA A 52 -8.663 7.041 2.700 1.00 0.00 C ATOM 808 O ALA A 52 -8.593 7.767 3.693 1.00 0.00 O ATOM 809 CB ALA A 52 -7.737 4.797 3.500 1.00 0.00 C ATOM 0 H ALA A 52 -8.610 4.156 1.317 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.786 5.471 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.459 5.292 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.011 3.762 3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.892 4.818 2.812 1.00 0.00 H new ATOM 815 N LEU A 53 -8.570 7.527 1.455 1.00 0.00 N ATOM 816 CA LEU A 53 -8.352 8.931 1.078 1.00 0.00 C ATOM 817 C LEU A 53 -9.599 9.558 0.407 1.00 0.00 C ATOM 818 O LEU A 53 -9.643 10.773 0.201 1.00 0.00 O ATOM 819 CB LEU A 53 -7.138 9.040 0.125 1.00 0.00 C ATOM 820 CG LEU A 53 -5.949 8.089 0.382 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.904 8.208 -0.727 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.259 8.351 1.719 1.00 0.00 C ATOM 0 H LEU A 53 -8.649 6.919 0.640 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.157 9.486 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.491 8.871 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.766 10.064 0.168 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.373 7.085 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.077 7.528 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.358 7.950 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.531 9.231 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.432 7.653 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.878 9.372 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.974 8.216 2.530 1.00 0.00 H new ATOM 834 N SER A 54 -10.612 8.742 0.079 1.00 0.00 N ATOM 835 CA SER A 54 -11.808 9.127 -0.695 1.00 0.00 C ATOM 836 C SER A 54 -13.100 9.077 0.138 1.00 0.00 C ATOM 837 O SER A 54 -13.981 9.928 -0.004 1.00 0.00 O ATOM 838 CB SER A 54 -11.948 8.177 -1.894 1.00 0.00 C ATOM 839 OG SER A 54 -12.780 8.750 -2.890 1.00 0.00 O ATOM 0 H SER A 54 -10.624 7.760 0.354 1.00 0.00 H new ATOM 0 HA SER A 54 -11.671 10.159 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.964 7.964 -2.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.367 7.226 -1.565 1.00 0.00 H new ATOM 0 HG SER A 54 -12.857 8.132 -3.647 1.00 0.00 H new ATOM 845 N ASN A 55 -13.185 8.109 1.056 1.00 0.00 N ATOM 846 CA ASN A 55 -14.305 7.873 1.977 1.00 0.00 C ATOM 847 C ASN A 55 -13.809 7.358 3.346 1.00 0.00 C ATOM 848 O ASN A 55 -14.554 6.694 4.062 1.00 0.00 O ATOM 849 CB ASN A 55 -15.354 6.941 1.316 1.00 0.00 C ATOM 850 CG ASN A 55 -14.770 5.885 0.393 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.729 6.042 -0.819 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.293 4.785 0.923 1.00 0.00 N ATOM 0 H ASN A 55 -12.434 7.431 1.185 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.804 8.820 2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.924 6.444 2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.057 7.551 0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.890 4.064 0.325 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.325 4.650 1.934 1.00 0.00 H new ATOM 859 N GLU A 56 -12.548 7.628 3.709 1.00 0.00 N ATOM 860 CA GLU A 56 -11.927 7.253 4.995 1.00 0.00 C ATOM 861 C GLU A 56 -12.105 5.762 5.367 1.00 0.00 C ATOM 862 O GLU A 56 -12.215 5.402 6.540 1.00 0.00 O ATOM 863 CB GLU A 56 -12.390 8.221 6.104 1.00 0.00 C ATOM 864 CG GLU A 56 -12.041 9.685 5.796 1.00 0.00 C ATOM 865 CD GLU A 56 -12.451 10.606 6.961 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.602 11.109 6.969 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.624 10.842 7.876 1.00 0.00 O ATOM 0 H GLU A 56 -11.906 8.131 3.097 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.848 7.360 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.468 8.128 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.929 7.933 7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.970 9.777 5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.547 9.999 4.883 1.00 0.00 H new ATOM 874 N CYS A 57 -12.150 4.885 4.352 1.00 0.00 N ATOM 875 CA CYS A 57 -12.427 3.446 4.479 1.00 0.00 C ATOM 876 C CYS A 57 -13.780 3.130 5.165 1.00 0.00 C ATOM 877 O CYS A 57 -13.939 2.092 5.801 1.00 0.00 O ATOM 878 CB CYS A 57 -11.227 2.758 5.162 1.00 0.00 C ATOM 879 SG CYS A 57 -10.765 1.087 4.608 1.00 0.00 S ATOM 0 H CYS A 57 -11.989 5.169 3.386 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.544 3.034 3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.357 3.403 5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.435 2.709 6.231 1.00 0.00 H new ATOM 884 N ALA A 58 -14.785 4.007 5.081 1.00 0.00 N ATOM 885 CA ALA A 58 -16.053 3.830 5.792 1.00 0.00 C ATOM 886 C ALA A 58 -16.863 2.594 5.348 1.00 0.00 C ATOM 887 O ALA A 58 -17.580 2.002 6.159 1.00 0.00 O ATOM 888 CB ALA A 58 -16.869 5.122 5.636 1.00 0.00 C ATOM 0 H ALA A 58 -14.742 4.857 4.519 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.825 3.637 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.820 5.017 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.313 5.957 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.054 5.310 4.578 1.00 0.00 H new ATOM 894 N LYS A 59 -16.713 2.167 4.085 1.00 0.00 N ATOM 895 CA LYS A 59 -17.316 0.935 3.538 1.00 0.00 C ATOM 896 C LYS A 59 -16.569 -0.360 3.919 1.00 0.00 C ATOM 897 O LYS A 59 -17.057 -1.455 3.634 1.00 0.00 O ATOM 898 CB LYS A 59 -17.431 1.058 2.005 1.00 0.00 C ATOM 899 CG LYS A 59 -18.286 2.244 1.512 1.00 0.00 C ATOM 900 CD LYS A 59 -19.735 2.269 2.034 1.00 0.00 C ATOM 901 CE LYS A 59 -20.554 1.007 1.714 1.00 0.00 C ATOM 902 NZ LYS A 59 -20.825 0.859 0.258 1.00 0.00 N ATOM 0 H LYS A 59 -16.158 2.677 3.398 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.303 0.845 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.429 1.152 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.855 0.134 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.795 3.172 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.309 2.226 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.715 2.409 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.245 3.134 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.017 0.129 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.500 1.044 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.379 -0.006 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.361 1.683 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -19.924 0.796 -0.258 1.00 0.00 H new ATOM 916 N CYS A 60 -15.389 -0.255 4.533 1.00 0.00 N ATOM 917 CA CYS A 60 -14.508 -1.366 4.875 1.00 0.00 C ATOM 918 C CYS A 60 -14.972 -2.151 6.112 1.00 0.00 C ATOM 919 O CYS A 60 -15.713 -1.652 6.962 1.00 0.00 O ATOM 920 CB CYS A 60 -13.121 -0.778 5.159 1.00 0.00 C ATOM 921 SG CYS A 60 -12.419 0.196 3.803 1.00 0.00 S ATOM 0 H CYS A 60 -15.007 0.647 4.817 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.507 -2.067 4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.183 -0.148 6.046 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.437 -1.593 5.394 1.00 0.00 H new ATOM 926 N ASN A 61 -14.417 -3.353 6.257 1.00 0.00 N ATOM 927 CA ASN A 61 -14.339 -4.081 7.533 1.00 0.00 C ATOM 928 C ASN A 61 -13.080 -3.666 8.311 1.00 0.00 C ATOM 929 O ASN A 61 -12.090 -3.220 7.725 1.00 0.00 O ATOM 930 CB ASN A 61 -14.387 -5.608 7.302 1.00 0.00 C ATOM 931 CG ASN A 61 -13.465 -6.118 6.211 1.00 0.00 C ATOM 932 OD1 ASN A 61 -13.602 -5.782 5.046 1.00 0.00 O ATOM 933 ND2 ASN A 61 -12.508 -6.958 6.523 1.00 0.00 N ATOM 0 H ASN A 61 -13.999 -3.863 5.478 1.00 0.00 H new ATOM 0 HA ASN A 61 -15.207 -3.817 8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.134 -6.110 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.410 -5.891 7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.891 -7.321 5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.380 -7.249 7.492 1.00 0.00 H new ATOM 940 N GLU A 62 -13.100 -3.836 9.634 1.00 0.00 N ATOM 941 CA GLU A 62 -12.047 -3.370 10.547 1.00 0.00 C ATOM 942 C GLU A 62 -10.652 -3.933 10.230 1.00 0.00 C ATOM 943 O GLU A 62 -9.657 -3.235 10.435 1.00 0.00 O ATOM 944 CB GLU A 62 -12.426 -3.621 12.020 1.00 0.00 C ATOM 945 CG GLU A 62 -12.667 -5.087 12.425 1.00 0.00 C ATOM 946 CD GLU A 62 -14.146 -5.501 12.275 1.00 0.00 C ATOM 947 OE1 GLU A 62 -14.623 -5.657 11.126 1.00 0.00 O ATOM 948 OE2 GLU A 62 -14.841 -5.670 13.307 1.00 0.00 O ATOM 0 H GLU A 62 -13.864 -4.311 10.114 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.977 -2.294 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.633 -3.219 12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.329 -3.052 12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.046 -5.738 11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.355 -5.232 13.459 1.00 0.00 H new ATOM 955 N LYS A 63 -10.571 -5.147 9.659 1.00 0.00 N ATOM 956 CA LYS A 63 -9.290 -5.739 9.233 1.00 0.00 C ATOM 957 C LYS A 63 -8.599 -4.881 8.170 1.00 0.00 C ATOM 958 O LYS A 63 -7.392 -4.660 8.239 1.00 0.00 O ATOM 959 CB LYS A 63 -9.482 -7.168 8.689 1.00 0.00 C ATOM 960 CG LYS A 63 -10.008 -8.212 9.687 1.00 0.00 C ATOM 961 CD LYS A 63 -9.145 -8.343 10.952 1.00 0.00 C ATOM 962 CE LYS A 63 -9.467 -9.654 11.684 1.00 0.00 C ATOM 963 NZ LYS A 63 -8.843 -9.697 13.034 1.00 0.00 N ATOM 0 H LYS A 63 -11.381 -5.740 9.481 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.656 -5.780 10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.171 -7.123 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.525 -7.518 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.024 -7.946 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.061 -9.181 9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.089 -8.318 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.326 -7.496 11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.547 -9.762 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.113 -10.498 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.082 -10.596 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.810 -9.619 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.200 -8.906 13.607 1.00 0.00 H new ATOM 977 N GLN A 64 -9.372 -4.370 7.210 1.00 0.00 N ATOM 978 CA GLN A 64 -8.880 -3.494 6.141 1.00 0.00 C ATOM 979 C GLN A 64 -8.627 -2.068 6.652 1.00 0.00 C ATOM 980 O GLN A 64 -7.567 -1.515 6.364 1.00 0.00 O ATOM 981 CB GLN A 64 -9.847 -3.502 4.941 1.00 0.00 C ATOM 982 CG GLN A 64 -10.074 -4.937 4.429 1.00 0.00 C ATOM 983 CD GLN A 64 -10.702 -5.055 3.040 1.00 0.00 C ATOM 984 OE1 GLN A 64 -11.667 -5.770 2.821 1.00 0.00 O ATOM 985 NE2 GLN A 64 -10.151 -4.420 2.035 1.00 0.00 N ATOM 0 H GLN A 64 -10.373 -4.555 7.151 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.921 -3.886 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.800 -3.061 5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.443 -2.885 4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.115 -5.455 4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.712 -5.460 5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.344 -3.817 2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.529 -4.529 1.094 1.00 0.00 H new ATOM 994 N LYS A 65 -9.541 -1.514 7.469 1.00 0.00 N ATOM 995 CA LYS A 65 -9.401 -0.179 8.097 1.00 0.00 C ATOM 996 C LYS A 65 -8.087 -0.022 8.862 1.00 0.00 C ATOM 997 O LYS A 65 -7.337 0.919 8.609 1.00 0.00 O ATOM 998 CB LYS A 65 -10.560 0.135 9.063 1.00 0.00 C ATOM 999 CG LYS A 65 -11.937 0.251 8.402 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.990 0.723 9.418 1.00 0.00 C ATOM 1001 CE LYS A 65 -14.380 0.768 8.773 1.00 0.00 C ATOM 1002 NZ LYS A 65 -15.408 1.293 9.710 1.00 0.00 N ATOM 0 H LYS A 65 -10.411 -1.984 7.718 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.417 0.524 7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.602 -0.646 9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.341 1.070 9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.888 0.952 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.230 -0.714 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.003 0.050 10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.725 1.712 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.347 1.395 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.662 -0.233 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.334 1.308 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.458 0.681 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.152 2.258 10.001 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.797 -0.932 9.796 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.543 -0.915 10.555 1.00 0.00 C ATOM 1018 C GLU A 66 -5.362 -1.343 9.670 1.00 0.00 C ATOM 1019 O GLU A 66 -4.303 -0.716 9.730 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.711 -1.741 11.854 1.00 0.00 C ATOM 1021 CG GLU A 66 -5.601 -2.752 12.159 1.00 0.00 C ATOM 1022 CD GLU A 66 -5.821 -3.420 13.531 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -5.411 -2.837 14.565 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -6.392 -4.536 13.587 1.00 0.00 O ATOM 0 H GLU A 66 -8.422 -1.698 10.047 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.302 0.101 10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.785 -1.049 12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.658 -2.278 11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.575 -3.514 11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.634 -2.250 12.146 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.557 -2.352 8.811 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.536 -2.903 7.920 1.00 0.00 C ATOM 1033 C GLY A 67 -3.891 -1.858 7.012 1.00 0.00 C ATOM 1034 O GLY A 67 -2.683 -1.642 7.095 1.00 0.00 O ATOM 0 H GLY A 67 -6.459 -2.820 8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.761 -3.380 8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.985 -3.681 7.303 1.00 0.00 H new ATOM 1038 N THR A 68 -4.659 -1.146 6.185 1.00 0.00 N ATOM 1039 CA THR A 68 -4.068 -0.107 5.323 1.00 0.00 C ATOM 1040 C THR A 68 -3.537 1.080 6.122 1.00 0.00 C ATOM 1041 O THR A 68 -2.494 1.618 5.761 1.00 0.00 O ATOM 1042 CB THR A 68 -5.027 0.389 4.235 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.262 0.825 4.759 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.287 -0.732 3.237 1.00 0.00 C ATOM 0 H THR A 68 -5.668 -1.261 6.090 1.00 0.00 H new ATOM 0 HA THR A 68 -3.228 -0.597 4.830 1.00 0.00 H new ATOM 0 HB THR A 68 -4.550 1.241 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.730 0.067 5.167 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.969 -0.379 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.346 -1.037 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.732 -1.583 3.753 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.183 1.462 7.234 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.738 2.578 8.089 1.00 0.00 C ATOM 1054 C LYS A 69 -2.348 2.345 8.697 1.00 0.00 C ATOM 1055 O LYS A 69 -1.533 3.268 8.700 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.808 2.862 9.160 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.460 4.082 10.030 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.590 4.477 10.992 1.00 0.00 C ATOM 1059 CE LYS A 69 -5.874 3.391 12.039 1.00 0.00 C ATOM 1060 NZ LYS A 69 -6.887 3.846 13.029 1.00 0.00 N ATOM 0 H LYS A 69 -5.032 1.006 7.568 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.627 3.464 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.769 3.029 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.921 1.985 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.560 3.866 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.229 4.928 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.325 5.405 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.497 4.673 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.228 2.488 11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.950 3.130 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.058 3.091 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.537 4.694 13.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.775 4.072 12.538 1.00 0.00 H new ATOM 1074 N LYS A 70 -2.033 1.125 9.157 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.661 0.771 9.575 1.00 0.00 C ATOM 1076 C LYS A 70 0.279 0.597 8.381 1.00 0.00 C ATOM 1077 O LYS A 70 1.382 1.141 8.395 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.657 -0.397 10.594 1.00 0.00 C ATOM 1079 CG LYS A 70 -1.247 -1.756 10.167 1.00 0.00 C ATOM 1080 CD LYS A 70 -0.215 -2.778 9.666 1.00 0.00 C ATOM 1081 CE LYS A 70 0.478 -3.550 10.802 1.00 0.00 C ATOM 1082 NZ LYS A 70 -0.284 -4.752 11.235 1.00 0.00 N ATOM 0 H LYS A 70 -2.707 0.365 9.250 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.242 1.616 10.122 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.376 -0.566 10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.200 -0.065 11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.782 -2.186 11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.981 -1.586 9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.709 -3.488 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.540 -2.261 9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.472 -3.855 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.614 -2.886 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.380 -5.512 11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.867 -4.514 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.899 -5.071 10.459 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.131 -0.107 7.328 1.00 0.00 N ATOM 1097 CA VAL A 71 0.712 -0.372 6.138 1.00 0.00 C ATOM 1098 C VAL A 71 1.167 0.891 5.413 1.00 0.00 C ATOM 1099 O VAL A 71 2.358 0.994 5.113 1.00 0.00 O ATOM 1100 CB VAL A 71 0.004 -1.341 5.174 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.733 -1.500 3.830 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.096 -2.717 5.847 1.00 0.00 C ATOM 0 H VAL A 71 -1.063 -0.518 7.265 1.00 0.00 H new ATOM 0 HA VAL A 71 1.622 -0.842 6.510 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.979 -0.922 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.182 -2.196 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.797 -0.531 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.738 -1.886 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.596 -3.415 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.905 -3.085 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.668 -2.630 6.771 1.00 0.00 H new ATOM 1112 N LEU A 72 0.280 1.864 5.173 1.00 0.00 N ATOM 1113 CA LEU A 72 0.626 3.066 4.405 1.00 0.00 C ATOM 1114 C LEU A 72 1.824 3.818 4.996 1.00 0.00 C ATOM 1115 O LEU A 72 2.665 4.292 4.235 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.614 3.940 4.096 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.720 5.336 4.722 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.834 6.107 4.019 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -1.075 5.281 6.202 1.00 0.00 C ATOM 0 H LEU A 72 -0.686 1.842 5.501 1.00 0.00 H new ATOM 0 HA LEU A 72 0.978 2.740 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.669 4.061 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.496 3.377 4.399 1.00 0.00 H new ATOM 0 HG LEU A 72 0.252 5.816 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.919 7.102 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.602 6.195 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.778 5.575 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.138 6.294 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.036 4.782 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.305 4.728 6.740 1.00 0.00 H new ATOM 1131 N LYS A 73 1.950 3.842 6.333 1.00 0.00 N ATOM 1132 CA LYS A 73 3.052 4.493 7.049 1.00 0.00 C ATOM 1133 C LYS A 73 4.366 3.743 6.876 1.00 0.00 C ATOM 1134 O LYS A 73 5.408 4.347 6.619 1.00 0.00 O ATOM 1135 CB LYS A 73 2.707 4.662 8.540 1.00 0.00 C ATOM 1136 CG LYS A 73 3.636 5.695 9.209 1.00 0.00 C ATOM 1137 CD LYS A 73 4.956 5.194 9.812 1.00 0.00 C ATOM 1138 CE LYS A 73 4.815 4.175 10.954 1.00 0.00 C ATOM 1139 NZ LYS A 73 4.181 4.758 12.168 1.00 0.00 N ATOM 0 H LYS A 73 1.274 3.400 6.956 1.00 0.00 H new ATOM 0 HA LYS A 73 3.187 5.482 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.670 4.980 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.798 3.702 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.876 6.458 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.072 6.187 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.551 4.744 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.516 6.053 10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.221 3.329 10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.800 3.788 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.110 4.029 12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.760 5.549 12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.229 5.104 11.931 1.00 0.00 H new ATOM 1153 N HIS A 74 4.332 2.414 6.992 1.00 0.00 N ATOM 1154 CA HIS A 74 5.528 1.598 6.787 1.00 0.00 C ATOM 1155 C HIS A 74 6.035 1.749 5.350 1.00 0.00 C ATOM 1156 O HIS A 74 7.231 1.910 5.143 1.00 0.00 O ATOM 1157 CB HIS A 74 5.266 0.110 7.088 1.00 0.00 C ATOM 1158 CG HIS A 74 4.939 -0.215 8.522 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.683 -0.162 9.083 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.772 -0.800 9.439 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.724 -0.744 10.292 1.00 0.00 C ATOM 1162 NE2 HIS A 74 4.999 -1.108 10.550 1.00 0.00 N ATOM 0 H HIS A 74 3.493 1.883 7.226 1.00 0.00 H new ATOM 0 HA HIS A 74 6.287 1.955 7.483 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.442 -0.230 6.460 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.147 -0.462 6.796 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.857 0.252 8.651 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.829 -0.986 9.320 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.880 -0.896 10.948 1.00 0.00 H new ATOM 1171 N LEU A 75 5.137 1.770 4.366 1.00 0.00 N ATOM 1172 CA LEU A 75 5.479 1.947 2.953 1.00 0.00 C ATOM 1173 C LEU A 75 6.241 3.260 2.694 1.00 0.00 C ATOM 1174 O LEU A 75 7.301 3.226 2.073 1.00 0.00 O ATOM 1175 CB LEU A 75 4.174 1.872 2.130 1.00 0.00 C ATOM 1176 CG LEU A 75 4.019 0.582 1.311 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.173 -0.681 2.166 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.642 0.579 0.646 1.00 0.00 C ATOM 0 H LEU A 75 4.136 1.663 4.529 1.00 0.00 H new ATOM 0 HA LEU A 75 6.158 1.152 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.325 1.963 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.135 2.726 1.453 1.00 0.00 H new ATOM 0 HG LEU A 75 4.814 0.566 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.054 -1.563 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.162 -0.692 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.412 -0.687 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.522 -0.333 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.868 0.624 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.553 1.445 -0.011 1.00 0.00 H new ATOM 1190 N ILE A 76 5.779 4.396 3.228 1.00 0.00 N ATOM 1191 CA ILE A 76 6.510 5.678 3.139 1.00 0.00 C ATOM 1192 C ILE A 76 7.855 5.651 3.891 1.00 0.00 C ATOM 1193 O ILE A 76 8.827 6.251 3.432 1.00 0.00 O ATOM 1194 CB ILE A 76 5.589 6.864 3.533 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.238 8.257 3.449 1.00 0.00 C ATOM 1196 CG2 ILE A 76 4.896 6.739 4.889 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.922 8.768 4.738 1.00 0.00 C ATOM 0 H ILE A 76 4.895 4.460 3.732 1.00 0.00 H new ATOM 0 HA ILE A 76 6.789 5.835 2.097 1.00 0.00 H new ATOM 0 HB ILE A 76 4.832 6.784 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.979 8.242 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.471 8.976 3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.278 7.620 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.268 5.848 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.647 6.660 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.343 9.757 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.187 8.826 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.719 8.081 5.024 1.00 0.00 H new ATOM 1209 N ASN A 77 7.951 4.910 5.002 1.00 0.00 N ATOM 1210 CA ASN A 77 9.191 4.758 5.784 1.00 0.00 C ATOM 1211 C ASN A 77 10.237 3.823 5.139 1.00 0.00 C ATOM 1212 O ASN A 77 11.438 4.063 5.282 1.00 0.00 O ATOM 1213 CB ASN A 77 8.831 4.257 7.198 1.00 0.00 C ATOM 1214 CG ASN A 77 8.528 5.398 8.150 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.258 5.650 9.095 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.466 6.138 7.923 1.00 0.00 N ATOM 0 H ASN A 77 7.163 4.392 5.390 1.00 0.00 H new ATOM 0 HA ASN A 77 9.663 5.740 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.966 3.596 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.657 3.666 7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.251 6.924 8.537 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.857 5.927 7.133 1.00 0.00 H new ATOM 1223 N HIS A 78 9.800 2.767 4.442 1.00 0.00 N ATOM 1224 CA HIS A 78 10.656 1.660 3.966 1.00 0.00 C ATOM 1225 C HIS A 78 10.821 1.584 2.445 1.00 0.00 C ATOM 1226 O HIS A 78 11.801 1.013 1.961 1.00 0.00 O ATOM 1227 CB HIS A 78 10.093 0.331 4.484 1.00 0.00 C ATOM 1228 CG HIS A 78 10.285 0.131 5.970 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.464 -0.254 6.586 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.344 0.313 6.948 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.244 -0.304 7.914 1.00 0.00 C ATOM 1232 NE2 HIS A 78 9.960 0.035 8.157 1.00 0.00 N ATOM 0 H HIS A 78 8.820 2.651 4.185 1.00 0.00 H new ATOM 0 HA HIS A 78 11.652 1.859 4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.029 0.282 4.254 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.572 -0.490 3.950 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.317 0.616 6.804 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.975 -0.572 8.662 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.518 0.079 9.075 1.00 0.00 H new ATOM 1241 N LYS A 79 9.902 2.188 1.689 1.00 0.00 N ATOM 1242 CA LYS A 79 9.928 2.315 0.225 1.00 0.00 C ATOM 1243 C LYS A 79 9.667 3.769 -0.200 1.00 0.00 C ATOM 1244 O LYS A 79 8.766 4.011 -0.995 1.00 0.00 O ATOM 1245 CB LYS A 79 8.947 1.287 -0.391 1.00 0.00 C ATOM 1246 CG LYS A 79 9.521 -0.125 -0.579 1.00 0.00 C ATOM 1247 CD LYS A 79 10.449 -0.261 -1.801 1.00 0.00 C ATOM 1248 CE LYS A 79 11.841 0.352 -1.586 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.862 -0.204 -2.516 1.00 0.00 N ATOM 0 H LYS A 79 9.077 2.625 2.099 1.00 0.00 H new ATOM 0 HA LYS A 79 10.919 2.079 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.065 1.223 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.614 1.660 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.073 -0.405 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.697 -0.832 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.560 -1.317 -2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.978 0.218 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.783 1.432 -1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.157 0.175 -0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.782 0.243 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.940 -1.231 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.578 -0.013 -3.498 1.00 0.00 H new ATOM 1263 N PRO A 80 10.451 4.749 0.288 1.00 0.00 N ATOM 1264 CA PRO A 80 10.217 6.179 0.036 1.00 0.00 C ATOM 1265 C PRO A 80 10.265 6.540 -1.462 1.00 0.00 C ATOM 1266 O PRO A 80 9.445 7.320 -1.947 1.00 0.00 O ATOM 1267 CB PRO A 80 11.297 6.910 0.841 1.00 0.00 C ATOM 1268 CG PRO A 80 12.429 5.886 0.929 1.00 0.00 C ATOM 1269 CD PRO A 80 11.695 4.552 1.023 1.00 0.00 C ATOM 0 HA PRO A 80 9.213 6.472 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.620 7.824 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.937 7.196 1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.077 5.927 0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.060 6.059 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.286 3.746 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.501 4.281 2.061 1.00 0.00 H new ATOM 1277 N ASP A 81 11.188 5.929 -2.213 1.00 0.00 N ATOM 1278 CA ASP A 81 11.330 6.121 -3.666 1.00 0.00 C ATOM 1279 C ASP A 81 10.112 5.633 -4.477 1.00 0.00 C ATOM 1280 O ASP A 81 9.707 6.283 -5.444 1.00 0.00 O ATOM 1281 CB ASP A 81 12.589 5.390 -4.157 1.00 0.00 C ATOM 1282 CG ASP A 81 13.876 5.959 -3.540 1.00 0.00 C ATOM 1283 OD1 ASP A 81 14.386 6.985 -4.048 1.00 0.00 O ATOM 1284 OD2 ASP A 81 14.379 5.370 -2.553 1.00 0.00 O ATOM 0 H ASP A 81 11.869 5.277 -1.825 1.00 0.00 H new ATOM 0 HA ASP A 81 11.408 7.196 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.509 4.331 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.647 5.462 -5.243 1.00 0.00 H new ATOM 1289 N VAL A 82 9.515 4.496 -4.096 1.00 0.00 N ATOM 1290 CA VAL A 82 8.299 3.951 -4.735 1.00 0.00 C ATOM 1291 C VAL A 82 7.031 4.620 -4.197 1.00 0.00 C ATOM 1292 O VAL A 82 6.106 4.898 -4.958 1.00 0.00 O ATOM 1293 CB VAL A 82 8.216 2.424 -4.570 1.00 0.00 C ATOM 1294 CG1 VAL A 82 6.948 1.867 -5.224 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.429 1.734 -5.209 1.00 0.00 C ATOM 0 H VAL A 82 9.862 3.920 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 82 8.370 4.175 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 82 8.198 2.222 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.916 0.786 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.071 2.316 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.954 2.103 -6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.345 0.655 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.462 1.969 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.342 2.087 -4.731 1.00 0.00 H new ATOM 1305 N TRP A 83 6.999 4.948 -2.907 1.00 0.00 N ATOM 1306 CA TRP A 83 5.940 5.734 -2.273 1.00 0.00 C ATOM 1307 C TRP A 83 5.652 7.044 -3.017 1.00 0.00 C ATOM 1308 O TRP A 83 4.488 7.358 -3.256 1.00 0.00 O ATOM 1309 CB TRP A 83 6.323 6.010 -0.816 1.00 0.00 C ATOM 1310 CG TRP A 83 5.522 7.101 -0.190 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.961 8.353 0.069 1.00 0.00 C ATOM 1312 CD2 TRP A 83 4.099 7.103 0.111 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.908 9.124 0.523 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.729 8.411 0.544 1.00 0.00 C ATOM 1315 CE3 TRP A 83 3.085 6.128 0.029 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.407 8.740 0.864 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.749 6.456 0.316 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.416 7.761 0.711 1.00 0.00 C ATOM 0 H TRP A 83 7.730 4.666 -2.254 1.00 0.00 H new ATOM 0 HA TRP A 83 5.019 5.152 -2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.195 5.096 -0.235 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.380 6.272 -0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.977 8.697 -0.059 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.993 10.100 0.807 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.337 5.118 -0.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.156 9.728 1.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.978 5.704 0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.383 8.014 0.899 1.00 0.00 H new ATOM 1329 N ALA A 84 6.684 7.767 -3.465 1.00 0.00 N ATOM 1330 CA ALA A 84 6.525 8.967 -4.292 1.00 0.00 C ATOM 1331 C ALA A 84 5.685 8.726 -5.567 1.00 0.00 C ATOM 1332 O ALA A 84 4.984 9.631 -6.015 1.00 0.00 O ATOM 1333 CB ALA A 84 7.921 9.505 -4.629 1.00 0.00 C ATOM 0 H ALA A 84 7.657 7.535 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 84 5.962 9.706 -3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.827 10.399 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.448 9.753 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.482 8.746 -5.175 1.00 0.00 H new ATOM 1339 N GLN A 85 5.704 7.510 -6.123 1.00 0.00 N ATOM 1340 CA GLN A 85 4.884 7.101 -7.275 1.00 0.00 C ATOM 1341 C GLN A 85 3.428 6.810 -6.870 1.00 0.00 C ATOM 1342 O GLN A 85 2.504 7.190 -7.593 1.00 0.00 O ATOM 1343 CB GLN A 85 5.506 5.874 -7.975 1.00 0.00 C ATOM 1344 CG GLN A 85 7.028 6.027 -8.136 1.00 0.00 C ATOM 1345 CD GLN A 85 7.651 5.089 -9.169 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.112 4.829 -10.236 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.824 4.554 -8.898 1.00 0.00 N ATOM 0 H GLN A 85 6.305 6.762 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 85 4.867 7.936 -7.975 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.289 4.976 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.047 5.742 -8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.250 7.056 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.503 5.851 -7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.287 4.761 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.270 3.933 -9.573 1.00 0.00 H new ATOM 1356 N LEU A 86 3.224 6.201 -5.693 1.00 0.00 N ATOM 1357 CA LEU A 86 1.896 5.995 -5.082 1.00 0.00 C ATOM 1358 C LEU A 86 1.203 7.346 -4.880 1.00 0.00 C ATOM 1359 O LEU A 86 0.213 7.632 -5.553 1.00 0.00 O ATOM 1360 CB LEU A 86 2.036 5.239 -3.734 1.00 0.00 C ATOM 1361 CG LEU A 86 0.781 4.646 -3.056 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.247 5.692 -2.627 1.00 0.00 C ATOM 1363 CD2 LEU A 86 0.090 3.598 -3.922 1.00 0.00 C ATOM 0 H LEU A 86 3.987 5.830 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 86 1.285 5.387 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.739 4.421 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.498 5.924 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 86 1.170 4.173 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.098 5.196 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.209 6.379 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.587 6.248 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.786 3.213 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.220 4.051 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.781 2.779 -4.123 1.00 0.00 H new ATOM 1375 N LYS A 87 1.763 8.217 -4.025 1.00 0.00 N ATOM 1376 CA LYS A 87 1.150 9.507 -3.666 1.00 0.00 C ATOM 1377 C LYS A 87 0.950 10.442 -4.859 1.00 0.00 C ATOM 1378 O LYS A 87 0.021 11.234 -4.856 1.00 0.00 O ATOM 1379 CB LYS A 87 1.897 10.230 -2.532 1.00 0.00 C ATOM 1380 CG LYS A 87 3.426 10.258 -2.669 1.00 0.00 C ATOM 1381 CD LYS A 87 4.065 11.543 -2.132 1.00 0.00 C ATOM 1382 CE LYS A 87 4.034 12.631 -3.214 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.504 13.943 -2.696 1.00 0.00 N ATOM 0 H LYS A 87 2.656 8.046 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 87 0.159 9.243 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.535 11.256 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.642 9.750 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.846 9.404 -2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.691 10.142 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.529 11.883 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.094 11.349 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.660 12.327 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.018 12.734 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.468 14.650 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.891 14.246 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.482 13.851 -2.355 1.00 0.00 H new ATOM 1397 N ALA A 88 1.784 10.350 -5.889 1.00 0.00 N ATOM 1398 CA ALA A 88 1.660 11.180 -7.091 1.00 0.00 C ATOM 1399 C ALA A 88 0.392 10.851 -7.898 1.00 0.00 C ATOM 1400 O ALA A 88 -0.346 11.756 -8.295 1.00 0.00 O ATOM 1401 CB ALA A 88 2.908 10.999 -7.957 1.00 0.00 C ATOM 0 H ALA A 88 2.568 9.698 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 88 1.572 12.220 -6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.822 11.614 -8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.790 11.302 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.003 9.952 -8.244 1.00 0.00 H new ATOM 1407 N LYS A 89 0.120 9.557 -8.114 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.088 9.079 -8.803 1.00 0.00 C ATOM 1409 C LYS A 89 -2.329 9.136 -7.902 1.00 0.00 C ATOM 1410 O LYS A 89 -3.424 9.439 -8.376 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.810 7.661 -9.332 1.00 0.00 C ATOM 1412 CG LYS A 89 -1.900 7.175 -10.302 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.470 5.885 -11.012 1.00 0.00 C ATOM 1414 CE LYS A 89 -2.541 5.461 -12.025 1.00 0.00 C ATOM 1415 NZ LYS A 89 -2.104 4.285 -12.824 1.00 0.00 N ATOM 0 H LYS A 89 0.739 8.804 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.316 9.738 -9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.155 7.647 -9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.740 6.970 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.827 7.002 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.106 7.950 -11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.518 6.040 -11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.315 5.092 -10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.465 5.221 -11.499 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.761 6.294 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.852 4.026 -13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.236 4.522 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.918 3.483 -12.188 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.156 8.866 -6.607 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.241 8.770 -5.621 1.00 0.00 C ATOM 1431 C TYR A 90 -3.630 10.122 -4.996 1.00 0.00 C ATOM 1432 O TYR A 90 -4.729 10.248 -4.458 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.853 7.756 -4.526 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.056 6.283 -4.875 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -2.954 5.789 -6.196 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.315 5.380 -3.827 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.123 4.417 -6.465 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.452 4.003 -4.089 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.381 3.517 -5.411 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.566 2.194 -5.676 1.00 0.00 O ATOM 0 H TYR A 90 -1.234 8.703 -6.201 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.127 8.426 -6.155 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.804 7.908 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.432 7.980 -3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.744 6.471 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.409 5.745 -2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.055 4.054 -7.480 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.612 3.315 -3.272 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.109 1.791 -4.967 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.764 11.137 -5.078 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.967 12.471 -4.504 1.00 0.00 C ATOM 1452 C ASP A 91 -2.237 13.554 -5.339 1.00 0.00 C ATOM 1453 O ASP A 91 -1.159 14.028 -4.958 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.531 12.489 -3.028 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.954 13.802 -2.331 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.524 14.712 -2.985 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.677 13.946 -1.119 1.00 0.00 O ATOM 0 H ASP A 91 -1.871 11.049 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.030 12.709 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.972 11.640 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.449 12.374 -2.965 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.785 13.945 -6.507 1.00 0.00 N ATOM 1463 CA PRO A 92 -2.099 14.792 -7.491 1.00 0.00 C ATOM 1464 C PRO A 92 -1.789 16.230 -7.030 1.00 0.00 C ATOM 1465 O PRO A 92 -1.067 16.945 -7.730 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.987 14.763 -8.741 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.378 14.475 -8.182 1.00 0.00 C ATOM 1468 CD PRO A 92 -4.085 13.534 -7.018 1.00 0.00 C ATOM 0 HA PRO A 92 -1.101 14.394 -7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.958 15.712 -9.276 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.668 13.992 -9.442 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.877 15.385 -7.851 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.025 14.009 -8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.852 13.611 -6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.067 12.495 -7.347 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.283 16.663 -5.862 1.00 0.00 N ATOM 1477 CA ASP A 93 -1.948 17.956 -5.235 1.00 0.00 C ATOM 1478 C ASP A 93 -1.210 17.817 -3.885 1.00 0.00 C ATOM 1479 O ASP A 93 -0.750 18.811 -3.319 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.233 18.782 -5.070 1.00 0.00 C ATOM 1481 CG ASP A 93 -2.953 20.295 -4.982 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -2.380 20.861 -5.945 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -3.341 20.944 -3.980 1.00 0.00 O ATOM 0 H ASP A 93 -2.943 16.113 -5.311 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.250 18.467 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.897 18.587 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.756 18.459 -4.170 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.084 16.593 -3.359 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.513 16.310 -2.038 1.00 0.00 C ATOM 1490 C GLY A 94 -1.358 16.812 -0.856 1.00 0.00 C ATOM 1491 O GLY A 94 -0.802 17.051 0.220 1.00 0.00 O ATOM 0 H GLY A 94 -1.384 15.752 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.376 15.233 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.476 16.764 -1.979 1.00 0.00 H new ATOM 1495 N THR A 95 -2.665 17.036 -1.049 1.00 0.00 N ATOM 1496 CA THR A 95 -3.594 17.599 -0.046 1.00 0.00 C ATOM 1497 C THR A 95 -3.711 16.766 1.238 1.00 0.00 C ATOM 1498 O THR A 95 -3.860 17.339 2.320 1.00 0.00 O ATOM 1499 CB THR A 95 -5.004 17.770 -0.648 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.933 18.507 -1.849 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.970 18.536 0.264 1.00 0.00 C ATOM 0 H THR A 95 -3.125 16.825 -1.935 1.00 0.00 H new ATOM 0 HA THR A 95 -3.165 18.562 0.229 1.00 0.00 H new ATOM 0 HB THR A 95 -5.376 16.756 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.833 18.609 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.942 18.619 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.081 18.001 1.207 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.575 19.533 0.457 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.622 15.434 1.151 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.841 14.511 2.277 1.00 0.00 C ATOM 1511 C TYR A 96 -2.720 13.479 2.463 1.00 0.00 C ATOM 1512 O TYR A 96 -2.570 12.962 3.570 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.223 13.840 2.189 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.656 13.476 0.788 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.132 12.333 0.161 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.527 14.334 0.090 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.468 12.057 -1.176 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.859 14.063 -1.247 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.329 12.922 -1.888 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.641 12.659 -3.187 1.00 0.00 O ATOM 0 H TYR A 96 -3.391 14.955 0.280 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.817 15.128 3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.213 12.937 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.966 14.509 2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.474 11.670 0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.940 15.201 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.066 11.180 -1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.519 14.727 -1.785 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.059 11.947 -3.526 1.00 0.00 H new ATOM 1530 N SER A 97 -1.872 13.228 1.459 1.00 0.00 N ATOM 1531 CA SER A 97 -0.665 12.401 1.618 1.00 0.00 C ATOM 1532 C SER A 97 0.288 12.963 2.684 1.00 0.00 C ATOM 1533 O SER A 97 0.889 12.219 3.463 1.00 0.00 O ATOM 1534 CB SER A 97 0.060 12.237 0.273 1.00 0.00 C ATOM 1535 OG SER A 97 0.605 13.463 -0.197 1.00 0.00 O ATOM 0 H SER A 97 -2.001 13.591 0.514 1.00 0.00 H new ATOM 0 HA SER A 97 -0.990 11.420 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.859 11.504 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.636 11.844 -0.467 1.00 0.00 H new ATOM 0 HG SER A 97 1.058 13.313 -1.053 1.00 0.00 H new ATOM 1541 N LYS A 98 0.379 14.301 2.765 1.00 0.00 N ATOM 1542 CA LYS A 98 1.251 15.049 3.685 1.00 0.00 C ATOM 1543 C LYS A 98 1.023 14.722 5.167 1.00 0.00 C ATOM 1544 O LYS A 98 1.969 14.765 5.950 1.00 0.00 O ATOM 1545 CB LYS A 98 1.068 16.563 3.439 1.00 0.00 C ATOM 1546 CG LYS A 98 2.393 17.339 3.542 1.00 0.00 C ATOM 1547 CD LYS A 98 3.276 17.186 2.287 1.00 0.00 C ATOM 1548 CE LYS A 98 3.162 18.351 1.288 1.00 0.00 C ATOM 1549 NZ LYS A 98 1.791 18.533 0.741 1.00 0.00 N ATOM 0 H LYS A 98 -0.175 14.915 2.168 1.00 0.00 H new ATOM 0 HA LYS A 98 2.274 14.741 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.635 16.718 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.359 16.963 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.178 18.395 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.946 16.990 4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.316 17.090 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.008 16.259 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.473 19.272 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.854 18.181 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.845 19.019 -0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.341 17.604 0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.226 19.104 1.402 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.212 14.361 5.542 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.660 14.089 6.926 1.00 0.00 C ATOM 1565 C LYS A 99 0.159 13.006 7.651 1.00 0.00 C ATOM 1566 O LYS A 99 0.211 13.003 8.881 1.00 0.00 O ATOM 1567 CB LYS A 99 -2.156 13.711 6.913 1.00 0.00 C ATOM 1568 CG LYS A 99 -3.102 14.784 6.337 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.208 16.084 7.151 1.00 0.00 C ATOM 1570 CE LYS A 99 -3.814 15.845 8.541 1.00 0.00 C ATOM 1571 NZ LYS A 99 -4.034 17.121 9.270 1.00 0.00 N ATOM 0 H LYS A 99 -0.964 14.244 4.863 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.498 15.006 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.277 12.795 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.466 13.487 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.768 15.034 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.099 14.352 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.217 16.526 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.821 16.803 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.761 15.316 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.151 15.203 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.444 16.921 10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.126 17.614 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.686 17.723 8.728 1.00 0.00 H new ATOM 1585 N TYR A 100 0.813 12.120 6.896 1.00 0.00 N ATOM 1586 CA TYR A 100 1.675 11.035 7.389 1.00 0.00 C ATOM 1587 C TYR A 100 2.997 10.914 6.602 1.00 0.00 C ATOM 1588 O TYR A 100 3.972 10.396 7.142 1.00 0.00 O ATOM 1589 CB TYR A 100 0.890 9.713 7.426 1.00 0.00 C ATOM 1590 CG TYR A 100 0.209 9.402 6.114 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -1.019 10.018 5.814 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.847 8.596 5.158 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.570 9.914 4.529 1.00 0.00 C ATOM 1594 CE2 TYR A 100 0.305 8.503 3.867 1.00 0.00 C ATOM 1595 CZ TYR A 100 -0.899 9.167 3.538 1.00 0.00 C ATOM 1596 OH TYR A 100 -1.448 9.026 2.301 1.00 0.00 O ATOM 0 H TYR A 100 0.756 12.137 5.878 1.00 0.00 H new ATOM 0 HA TYR A 100 1.973 11.284 8.408 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.569 8.899 7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.141 9.762 8.217 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.541 10.575 6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.745 8.053 5.413 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.505 10.404 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.814 7.917 3.116 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.304 9.501 2.267 1.00 0.00 H new ATOM 1606 N GLU A 101 3.095 11.439 5.375 1.00 0.00 N ATOM 1607 CA GLU A 101 4.370 11.566 4.645 1.00 0.00 C ATOM 1608 C GLU A 101 5.367 12.533 5.324 1.00 0.00 C ATOM 1609 O GLU A 101 6.576 12.284 5.316 1.00 0.00 O ATOM 1610 CB GLU A 101 4.059 11.958 3.190 1.00 0.00 C ATOM 1611 CG GLU A 101 5.272 12.052 2.249 1.00 0.00 C ATOM 1612 CD GLU A 101 6.014 13.406 2.248 1.00 0.00 C ATOM 1613 OE1 GLU A 101 5.466 14.432 2.715 1.00 0.00 O ATOM 1614 OE2 GLU A 101 7.140 13.450 1.701 1.00 0.00 O ATOM 0 H GLU A 101 2.291 11.790 4.855 1.00 0.00 H new ATOM 0 HA GLU A 101 4.881 10.603 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.359 11.230 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.550 12.922 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.981 11.270 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.938 11.841 1.233 1.00 0.00 H new ATOM 1621 N ASP A 102 4.870 13.583 5.991 1.00 0.00 N ATOM 1622 CA ASP A 102 5.675 14.576 6.725 1.00 0.00 C ATOM 1623 C ASP A 102 6.513 13.969 7.870 1.00 0.00 C ATOM 1624 O ASP A 102 7.530 14.544 8.267 1.00 0.00 O ATOM 1625 CB ASP A 102 4.748 15.682 7.250 1.00 0.00 C ATOM 1626 CG ASP A 102 5.506 16.813 7.966 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.220 17.591 7.287 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.359 16.952 9.205 1.00 0.00 O ATOM 0 H ASP A 102 3.869 13.773 6.038 1.00 0.00 H new ATOM 0 HA ASP A 102 6.400 14.990 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.184 16.101 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.024 15.245 7.938 1.00 0.00 H new ATOM 1633 N ARG A 103 6.107 12.796 8.386 1.00 0.00 N ATOM 1634 CA ARG A 103 6.827 12.027 9.418 1.00 0.00 C ATOM 1635 C ARG A 103 8.290 11.747 9.053 1.00 0.00 C ATOM 1636 O ARG A 103 9.135 11.713 9.946 1.00 0.00 O ATOM 1637 CB ARG A 103 6.103 10.693 9.678 1.00 0.00 C ATOM 1638 CG ARG A 103 4.682 10.817 10.260 1.00 0.00 C ATOM 1639 CD ARG A 103 4.610 11.413 11.673 1.00 0.00 C ATOM 1640 NE ARG A 103 5.251 10.544 12.683 1.00 0.00 N ATOM 1641 CZ ARG A 103 5.150 10.653 13.997 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.452 11.596 14.564 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.753 9.802 14.777 1.00 0.00 N ATOM 0 H ARG A 103 5.243 12.343 8.088 1.00 0.00 H new ATOM 0 HA ARG A 103 6.832 12.644 10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.047 10.140 8.740 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.707 10.098 10.363 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.084 11.435 9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.224 9.828 10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.094 12.390 11.678 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.567 11.573 11.945 1.00 0.00 H new ATOM 0 HE ARG A 103 5.830 9.782 12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.961 12.282 13.991 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.397 11.648 15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.307 9.046 14.375 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.671 9.892 15.790 1.00 0.00 H new ATOM 1657 N GLU A 104 8.594 11.584 7.761 1.00 0.00 N ATOM 1658 CA GLU A 104 9.942 11.257 7.269 1.00 0.00 C ATOM 1659 C GLU A 104 10.431 12.199 6.157 1.00 0.00 C ATOM 1660 O GLU A 104 11.577 12.648 6.215 1.00 0.00 O ATOM 1661 CB GLU A 104 9.983 9.812 6.746 1.00 0.00 C ATOM 1662 CG GLU A 104 9.650 8.730 7.779 1.00 0.00 C ATOM 1663 CD GLU A 104 10.637 8.701 8.968 1.00 0.00 C ATOM 1664 OE1 GLU A 104 11.872 8.670 8.741 1.00 0.00 O ATOM 1665 OE2 GLU A 104 10.189 8.697 10.141 1.00 0.00 O ATOM 0 H GLU A 104 7.904 11.676 7.016 1.00 0.00 H new ATOM 0 HA GLU A 104 10.610 11.380 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.284 9.724 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.978 9.616 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.641 8.895 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.652 7.756 7.289 1.00 0.00 H new ATOM 1672 N LYS A 105 9.576 12.519 5.167 1.00 0.00 N ATOM 1673 CA LYS A 105 9.878 13.338 3.969 1.00 0.00 C ATOM 1674 C LYS A 105 11.286 13.142 3.369 1.00 0.00 C ATOM 1675 O LYS A 105 12.000 14.099 3.063 1.00 0.00 O ATOM 1676 CB LYS A 105 9.456 14.804 4.198 1.00 0.00 C ATOM 1677 CG LYS A 105 10.170 15.524 5.355 1.00 0.00 C ATOM 1678 CD LYS A 105 9.712 16.988 5.443 1.00 0.00 C ATOM 1679 CE LYS A 105 10.349 17.731 6.624 1.00 0.00 C ATOM 1680 NZ LYS A 105 11.810 17.950 6.439 1.00 0.00 N ATOM 0 H LYS A 105 8.607 12.200 5.178 1.00 0.00 H new ATOM 0 HA LYS A 105 9.258 12.952 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 105 9.634 15.363 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.382 14.830 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.958 15.014 6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.249 15.483 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.965 17.501 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.627 17.021 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.854 18.694 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.183 17.162 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.192 18.455 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.289 17.032 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.970 18.516 5.581 1.00 0.00 H new ATOM 1694 N GLU A 106 11.685 11.879 3.195 1.00 0.00 N ATOM 1695 CA GLU A 106 12.993 11.430 2.675 1.00 0.00 C ATOM 1696 C GLU A 106 13.150 11.635 1.148 1.00 0.00 C ATOM 1697 O GLU A 106 13.427 10.704 0.389 1.00 0.00 O ATOM 1698 CB GLU A 106 13.247 9.966 3.099 1.00 0.00 C ATOM 1699 CG GLU A 106 13.506 9.793 4.604 1.00 0.00 C ATOM 1700 CD GLU A 106 14.938 10.208 5.002 1.00 0.00 C ATOM 1701 OE1 GLU A 106 15.203 11.421 5.187 1.00 0.00 O ATOM 1702 OE2 GLU A 106 15.811 9.317 5.146 1.00 0.00 O ATOM 0 H GLU A 106 11.075 11.094 3.424 1.00 0.00 H new ATOM 0 HA GLU A 106 13.760 12.063 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.386 9.361 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.103 9.580 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.788 10.390 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.341 8.752 4.882 1.00 0.00 H new ATOM 1709 N LEU A 107 12.965 12.876 0.681 1.00 0.00 N ATOM 1710 CA LEU A 107 13.197 13.307 -0.710 1.00 0.00 C ATOM 1711 C LEU A 107 14.679 13.220 -1.152 1.00 0.00 C ATOM 1712 O LEU A 107 14.968 13.314 -2.348 1.00 0.00 O ATOM 1713 CB LEU A 107 12.656 14.742 -0.898 1.00 0.00 C ATOM 1714 CG LEU A 107 11.146 14.829 -1.199 1.00 0.00 C ATOM 1715 CD1 LEU A 107 10.258 14.355 -0.048 1.00 0.00 C ATOM 1716 CD2 LEU A 107 10.771 16.279 -1.509 1.00 0.00 C ATOM 0 H LEU A 107 12.639 13.636 1.278 1.00 0.00 H new ATOM 0 HA LEU A 107 12.658 12.611 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.866 15.316 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 107 13.203 15.218 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 107 10.972 14.167 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.210 14.446 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 107 10.482 13.313 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 107 10.447 14.967 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.704 16.341 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.007 16.907 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.335 16.623 -2.376 1.00 0.00 H new ATOM 1728 N HIS A 108 15.609 13.015 -0.209 1.00 0.00 N ATOM 1729 CA HIS A 108 17.055 12.833 -0.429 1.00 0.00 C ATOM 1730 C HIS A 108 17.583 11.607 0.340 1.00 0.00 C ATOM 1731 O HIS A 108 16.940 11.135 1.283 1.00 0.00 O ATOM 1732 CB HIS A 108 17.807 14.113 -0.010 1.00 0.00 C ATOM 1733 CG HIS A 108 17.363 15.370 -0.725 1.00 0.00 C ATOM 1734 ND1 HIS A 108 16.994 16.561 -0.123 1.00 0.00 N ATOM 1735 CD2 HIS A 108 17.271 15.543 -2.079 1.00 0.00 C ATOM 1736 CE1 HIS A 108 16.680 17.442 -1.096 1.00 0.00 C ATOM 1737 NE2 HIS A 108 16.839 16.840 -2.294 1.00 0.00 N ATOM 0 H HIS A 108 15.363 12.969 0.780 1.00 0.00 H new ATOM 0 HA HIS A 108 17.229 12.652 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 108 17.680 14.258 1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.872 13.967 -0.188 1.00 0.00 H new ATOM 0 HD2 HIS A 108 17.493 14.806 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.355 18.460 -0.942 1.00 0.00 H new ATOM 0 HE2 HIS A 108 16.669 17.269 -3.204 1.00 0.00 H new ATOM 1746 N GLN A 109 18.756 11.102 -0.061 1.00 0.00 N ATOM 1747 CA GLN A 109 19.388 9.870 0.448 1.00 0.00 C ATOM 1748 C GLN A 109 20.924 9.979 0.444 1.00 0.00 C ATOM 1749 O GLN A 109 21.499 10.374 -0.596 1.00 0.00 O ATOM 1750 CB GLN A 109 18.887 8.687 -0.403 1.00 0.00 C ATOM 1751 CG GLN A 109 19.296 7.318 0.166 1.00 0.00 C ATOM 1752 CD GLN A 109 18.734 6.169 -0.679 1.00 0.00 C ATOM 1753 OE1 GLN A 109 19.419 5.558 -1.492 1.00 0.00 O ATOM 1754 NE2 GLN A 109 17.466 5.836 -0.539 1.00 0.00 N ATOM 1755 OXT GLN A 109 21.541 9.691 1.494 1.00 0.00 O ATOM 0 H GLN A 109 19.318 11.558 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 109 19.106 9.710 1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 109 17.800 8.734 -0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 109 19.278 8.784 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.383 7.247 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 109 18.937 7.227 1.191 1.00 0.00 H new ATOM 0 HE21 GLN A 109 16.879 6.332 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.072 5.082 -1.102 1.00 0.00 H new TER 1764 GLN A 109