USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=23 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 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 TYR OH : rot -158:sc= -0.103 USER MOD Set 2.1: A 26 TYR OH : rot 173:sc= 1.26 USER MOD Set 2.2: A 39 THR OG1 : rot -160:sc= 0.952 USER MOD Set 3.1: A 28 GLN : amide:sc= 0.867 K(o=2,f=0.33) USER MOD Set 3.2: A 37 ASN : amide:sc= 1.1 K(o=2,f=-0.62) USER MOD Single : A 1 GLU N :NH3+ -178:sc= 0 (180deg=-0.00412) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -46:sc= 0.29 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 19 ASN : amide:sc= 0.877 K(o=0.88,f=-6.5!) USER MOD Single : A 24 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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= 1.03 K(o=1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.315 K(o=0.31,f=-5.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 65 LYS NZ :NH3+ -137:sc= 2.3 (180deg=0.441) USER MOD Single : A 68 THR OG1 : rot -61:sc= 0.095 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.15) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.809) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= -0.0373 (180deg=-0.0879) USER MOD Single : A 74 HIS : no HE2:sc= 0.622 K(o=0.62,f=-5!) USER MOD Single : A 77 ASN : amide:sc= 0.557 K(o=0.56,f=-0.035) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 1.13 (180deg=1.12) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -13:sc= 0.644 USER MOD Single : A 97 SER OG : rot -130:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.062 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= 0.0189 X(o=0.019,f=-0.15) USER MOD Single : A 109 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -17.624 -12.300 19.274 1.00 0.00 N ATOM 2 CA GLU A 1 -17.922 -11.921 17.867 1.00 0.00 C ATOM 3 C GLU A 1 -17.131 -12.797 16.893 1.00 0.00 C ATOM 4 O GLU A 1 -15.958 -13.086 17.131 1.00 0.00 O ATOM 5 CB GLU A 1 -17.617 -10.433 17.587 1.00 0.00 C ATOM 6 CG GLU A 1 -18.455 -9.432 18.399 1.00 0.00 C ATOM 7 CD GLU A 1 -19.961 -9.558 18.110 1.00 0.00 C ATOM 8 OE1 GLU A 1 -20.598 -10.484 18.668 1.00 0.00 O ATOM 9 OE2 GLU A 1 -20.511 -8.745 17.329 1.00 0.00 O ATOM 0 H1 GLU A 1 -18.195 -11.718 19.919 1.00 0.00 H new ATOM 0 H2 GLU A 1 -17.853 -13.304 19.419 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.615 -12.144 19.469 1.00 0.00 H new ATOM 0 HA GLU A 1 -18.990 -12.080 17.717 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -16.562 -10.250 17.791 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -17.775 -10.239 16.526 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -18.277 -9.592 19.462 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -18.127 -8.418 18.170 1.00 0.00 H new ATOM 18 N GLU A 2 -17.755 -13.228 15.792 1.00 0.00 N ATOM 19 CA GLU A 2 -17.069 -13.896 14.671 1.00 0.00 C ATOM 20 C GLU A 2 -16.335 -12.885 13.771 1.00 0.00 C ATOM 21 O GLU A 2 -16.802 -11.761 13.557 1.00 0.00 O ATOM 22 CB GLU A 2 -18.088 -14.680 13.823 1.00 0.00 C ATOM 23 CG GLU A 2 -18.587 -15.939 14.542 1.00 0.00 C ATOM 24 CD GLU A 2 -19.669 -16.665 13.718 1.00 0.00 C ATOM 25 OE1 GLU A 2 -20.865 -16.296 13.820 1.00 0.00 O ATOM 26 OE2 GLU A 2 -19.336 -17.617 12.972 1.00 0.00 O ATOM 0 H GLU A 2 -18.759 -13.124 15.648 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.332 -14.577 15.096 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.936 -14.036 13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.630 -14.962 12.875 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.750 -16.614 14.721 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.991 -15.667 15.517 1.00 0.00 H new ATOM 33 N LYS A 3 -15.194 -13.309 13.215 1.00 0.00 N ATOM 34 CA LYS A 3 -14.378 -12.569 12.238 1.00 0.00 C ATOM 35 C LYS A 3 -13.505 -13.524 11.410 1.00 0.00 C ATOM 36 O LYS A 3 -13.335 -14.690 11.771 1.00 0.00 O ATOM 37 CB LYS A 3 -13.530 -11.476 12.932 1.00 0.00 C ATOM 38 CG LYS A 3 -12.572 -11.951 14.043 1.00 0.00 C ATOM 39 CD LYS A 3 -13.209 -11.919 15.444 1.00 0.00 C ATOM 40 CE LYS A 3 -12.189 -12.152 16.568 1.00 0.00 C ATOM 41 NZ LYS A 3 -11.694 -13.554 16.607 1.00 0.00 N ATOM 0 H LYS A 3 -14.794 -14.219 13.443 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.055 -12.065 11.548 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.942 -10.965 12.170 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.209 -10.738 13.359 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.245 -12.967 13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.682 -11.322 14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.695 -10.955 15.595 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.987 -12.681 15.502 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.345 -11.476 16.434 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.646 -11.905 17.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.009 -13.659 17.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.494 -14.200 16.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.233 -13.785 15.704 1.00 0.00 H new ATOM 55 N TYR A 4 -12.938 -13.010 10.319 1.00 0.00 N ATOM 56 CA TYR A 4 -12.129 -13.758 9.347 1.00 0.00 C ATOM 57 C TYR A 4 -10.856 -12.961 9.015 1.00 0.00 C ATOM 58 O TYR A 4 -10.927 -11.817 8.559 1.00 0.00 O ATOM 59 CB TYR A 4 -12.972 -14.036 8.089 1.00 0.00 C ATOM 60 CG TYR A 4 -14.103 -15.034 8.294 1.00 0.00 C ATOM 61 CD1 TYR A 4 -15.334 -14.619 8.844 1.00 0.00 C ATOM 62 CD2 TYR A 4 -13.917 -16.386 7.940 1.00 0.00 C ATOM 63 CE1 TYR A 4 -16.363 -15.555 9.069 1.00 0.00 C ATOM 64 CE2 TYR A 4 -14.952 -17.321 8.141 1.00 0.00 C ATOM 65 CZ TYR A 4 -16.178 -16.909 8.711 1.00 0.00 C ATOM 66 OH TYR A 4 -17.182 -17.806 8.912 1.00 0.00 O ATOM 0 H TYR A 4 -13.031 -12.024 10.075 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.823 -14.716 9.767 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -13.394 -13.096 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -12.315 -14.407 7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -15.488 -13.580 9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -12.978 -16.706 7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -17.294 -15.237 9.515 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -14.808 -18.354 7.859 1.00 0.00 H new ATOM 0 HH TYR A 4 -16.893 -18.693 8.611 1.00 0.00 H new ATOM 76 N THR A 5 -9.686 -13.545 9.293 1.00 0.00 N ATOM 77 CA THR A 5 -8.372 -12.907 9.071 1.00 0.00 C ATOM 78 C THR A 5 -7.954 -12.930 7.587 1.00 0.00 C ATOM 79 O THR A 5 -8.516 -13.677 6.778 1.00 0.00 O ATOM 80 CB THR A 5 -7.258 -13.536 9.932 1.00 0.00 C ATOM 81 OG1 THR A 5 -6.816 -14.757 9.382 1.00 0.00 O ATOM 82 CG2 THR A 5 -7.657 -13.799 11.386 1.00 0.00 C ATOM 0 H THR A 5 -9.617 -14.485 9.683 1.00 0.00 H new ATOM 0 HA THR A 5 -8.498 -11.869 9.379 1.00 0.00 H new ATOM 0 HB THR A 5 -6.464 -12.789 9.930 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.109 -15.133 9.947 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.816 -14.242 11.920 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.935 -12.859 11.863 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.505 -14.484 11.413 1.00 0.00 H new ATOM 90 N THR A 6 -6.945 -12.134 7.218 1.00 0.00 N ATOM 91 CA THR A 6 -6.415 -12.030 5.838 1.00 0.00 C ATOM 92 C THR A 6 -5.307 -13.058 5.515 1.00 0.00 C ATOM 93 O THR A 6 -4.494 -12.839 4.612 1.00 0.00 O ATOM 94 CB THR A 6 -6.002 -10.574 5.543 1.00 0.00 C ATOM 95 OG1 THR A 6 -5.845 -10.362 4.158 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.723 -10.110 6.246 1.00 0.00 C ATOM 0 H THR A 6 -6.458 -11.528 7.878 1.00 0.00 H new ATOM 0 HA THR A 6 -7.221 -12.299 5.155 1.00 0.00 H new ATOM 0 HB THR A 6 -6.823 -9.980 5.945 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.320 -11.094 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.515 -9.074 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.854 -10.185 7.326 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.889 -10.740 5.937 1.00 0.00 H new ATOM 104 N LYS A 7 -5.236 -14.176 6.248 1.00 0.00 N ATOM 105 CA LYS A 7 -4.280 -15.276 6.007 1.00 0.00 C ATOM 106 C LYS A 7 -4.486 -15.977 4.654 1.00 0.00 C ATOM 107 O LYS A 7 -5.610 -16.273 4.249 1.00 0.00 O ATOM 108 CB LYS A 7 -4.303 -16.262 7.199 1.00 0.00 C ATOM 109 CG LYS A 7 -5.255 -17.466 7.081 1.00 0.00 C ATOM 110 CD LYS A 7 -6.743 -17.126 6.863 1.00 0.00 C ATOM 111 CE LYS A 7 -7.395 -18.286 6.104 1.00 0.00 C ATOM 112 NZ LYS A 7 -8.826 -18.015 5.808 1.00 0.00 N ATOM 0 H LYS A 7 -5.852 -14.350 7.042 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.283 -14.840 5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.292 -16.641 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.569 -15.704 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.919 -18.091 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.168 -18.065 7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.241 -16.971 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.842 -16.199 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.857 -18.459 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.312 -19.199 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.233 -18.822 5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.344 -17.875 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.903 -17.158 5.224 1.00 0.00 H new ATOM 126 N TYR A 8 -3.387 -16.328 3.998 1.00 0.00 N ATOM 127 CA TYR A 8 -3.346 -17.182 2.804 1.00 0.00 C ATOM 128 C TYR A 8 -1.982 -17.880 2.752 1.00 0.00 C ATOM 129 O TYR A 8 -0.961 -17.208 2.865 1.00 0.00 O ATOM 130 CB TYR A 8 -3.564 -16.344 1.528 1.00 0.00 C ATOM 131 CG TYR A 8 -4.937 -15.699 1.405 1.00 0.00 C ATOM 132 CD1 TYR A 8 -6.012 -16.411 0.837 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.156 -14.410 1.927 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.294 -15.827 0.776 1.00 0.00 C ATOM 135 CE2 TYR A 8 -6.436 -13.829 1.889 1.00 0.00 C ATOM 136 CZ TYR A 8 -7.510 -14.533 1.303 1.00 0.00 C ATOM 137 OH TYR A 8 -8.749 -13.970 1.268 1.00 0.00 O ATOM 0 H TYR A 8 -2.461 -16.017 4.290 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.143 -17.923 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.807 -15.560 1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.401 -16.983 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.854 -17.406 0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.333 -13.862 2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.112 -16.369 0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.597 -12.846 2.307 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.715 -13.079 1.674 1.00 0.00 H new ATOM 147 N ASP A 9 -1.955 -19.210 2.607 1.00 0.00 N ATOM 148 CA ASP A 9 -0.737 -20.047 2.520 1.00 0.00 C ATOM 149 C ASP A 9 0.388 -19.674 3.523 1.00 0.00 C ATOM 150 O ASP A 9 1.566 -19.586 3.168 1.00 0.00 O ATOM 151 CB ASP A 9 -0.257 -20.113 1.058 1.00 0.00 C ATOM 152 CG ASP A 9 -1.302 -20.758 0.133 1.00 0.00 C ATOM 153 OD1 ASP A 9 -1.565 -21.977 0.275 1.00 0.00 O ATOM 154 OD2 ASP A 9 -1.857 -20.059 -0.749 1.00 0.00 O ATOM 0 H ASP A 9 -2.811 -19.761 2.544 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.018 -21.050 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.034 -19.106 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.671 -20.682 1.007 1.00 0.00 H new ATOM 159 N ASN A 10 0.017 -19.448 4.793 1.00 0.00 N ATOM 160 CA ASN A 10 0.901 -19.022 5.894 1.00 0.00 C ATOM 161 C ASN A 10 1.592 -17.660 5.686 1.00 0.00 C ATOM 162 O ASN A 10 2.752 -17.464 6.060 1.00 0.00 O ATOM 163 CB ASN A 10 1.848 -20.171 6.307 1.00 0.00 C ATOM 164 CG ASN A 10 1.112 -21.449 6.675 1.00 0.00 C ATOM 165 OD1 ASN A 10 0.249 -21.472 7.544 1.00 0.00 O ATOM 166 ND2 ASN A 10 1.419 -22.555 6.033 1.00 0.00 N ATOM 0 H ASN A 10 -0.950 -19.562 5.096 1.00 0.00 H new ATOM 0 HA ASN A 10 0.258 -18.815 6.749 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.536 -20.379 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.451 -19.849 7.156 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.939 -23.426 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 10 2.137 -22.542 5.308 1.00 0.00 H new ATOM 173 N VAL A 11 0.844 -16.694 5.142 1.00 0.00 N ATOM 174 CA VAL A 11 1.244 -15.284 4.997 1.00 0.00 C ATOM 175 C VAL A 11 0.109 -14.359 5.439 1.00 0.00 C ATOM 176 O VAL A 11 -1.066 -14.684 5.270 1.00 0.00 O ATOM 177 CB VAL A 11 1.640 -14.935 3.542 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.676 -13.811 3.560 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.252 -16.097 2.756 1.00 0.00 C ATOM 0 H VAL A 11 -0.091 -16.876 4.776 1.00 0.00 H new ATOM 0 HA VAL A 11 2.117 -15.138 5.633 1.00 0.00 H new ATOM 0 HB VAL A 11 0.711 -14.653 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.959 -13.561 2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.251 -12.932 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.558 -14.138 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.499 -15.764 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.157 -16.439 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.536 -16.917 2.702 1.00 0.00 H new ATOM 189 N ASN A 12 0.471 -13.198 5.989 1.00 0.00 N ATOM 190 CA ASN A 12 -0.429 -12.141 6.457 1.00 0.00 C ATOM 191 C ASN A 12 0.183 -10.756 6.224 1.00 0.00 C ATOM 192 O ASN A 12 1.367 -10.621 5.908 1.00 0.00 O ATOM 193 CB ASN A 12 -0.685 -12.325 7.965 1.00 0.00 C ATOM 194 CG ASN A 12 -1.899 -13.183 8.250 1.00 0.00 C ATOM 195 OD1 ASN A 12 -3.029 -12.770 8.042 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.722 -14.377 8.760 1.00 0.00 N ATOM 0 H ASN A 12 1.452 -12.957 6.127 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.362 -12.210 5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.192 -12.779 8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.819 -11.348 8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.528 -14.961 8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.778 -14.722 8.934 1.00 0.00 H new ATOM 203 N LEU A 13 -0.619 -9.721 6.475 1.00 0.00 N ATOM 204 CA LEU A 13 -0.205 -8.320 6.388 1.00 0.00 C ATOM 205 C LEU A 13 1.051 -7.979 7.196 1.00 0.00 C ATOM 206 O LEU A 13 1.918 -7.265 6.705 1.00 0.00 O ATOM 207 CB LEU A 13 -1.374 -7.419 6.825 1.00 0.00 C ATOM 208 CG LEU A 13 -1.949 -6.604 5.665 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.042 -5.688 6.224 1.00 0.00 C ATOM 210 CD2 LEU A 13 -0.885 -5.731 5.003 1.00 0.00 C ATOM 0 H LEU A 13 -1.595 -9.835 6.750 1.00 0.00 H new ATOM 0 HA LEU A 13 0.061 -8.141 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.162 -8.035 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.034 -6.741 7.608 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.338 -7.295 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.469 -5.095 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.824 -6.293 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.612 -5.023 6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.334 -5.168 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.474 -5.038 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.086 -6.363 4.614 1.00 0.00 H new ATOM 222 N ASP A 14 1.195 -8.508 8.410 1.00 0.00 N ATOM 223 CA ASP A 14 2.388 -8.256 9.226 1.00 0.00 C ATOM 224 C ASP A 14 3.685 -8.774 8.569 1.00 0.00 C ATOM 225 O ASP A 14 4.748 -8.202 8.802 1.00 0.00 O ATOM 226 CB ASP A 14 2.194 -8.821 10.640 1.00 0.00 C ATOM 227 CG ASP A 14 1.492 -7.825 11.586 1.00 0.00 C ATOM 228 OD1 ASP A 14 0.614 -7.044 11.142 1.00 0.00 O ATOM 229 OD2 ASP A 14 1.826 -7.807 12.794 1.00 0.00 O ATOM 0 H ASP A 14 0.503 -9.113 8.852 1.00 0.00 H new ATOM 0 HA ASP A 14 2.510 -7.175 9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.607 -9.738 10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.165 -9.089 11.056 1.00 0.00 H new ATOM 234 N GLU A 15 3.614 -9.796 7.705 1.00 0.00 N ATOM 235 CA GLU A 15 4.742 -10.221 6.862 1.00 0.00 C ATOM 236 C GLU A 15 4.964 -9.274 5.665 1.00 0.00 C ATOM 237 O GLU A 15 6.100 -9.030 5.282 1.00 0.00 O ATOM 238 CB GLU A 15 4.509 -11.661 6.367 1.00 0.00 C ATOM 239 CG GLU A 15 5.790 -12.353 5.876 1.00 0.00 C ATOM 240 CD GLU A 15 6.735 -12.718 7.038 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.484 -13.732 7.734 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.741 -12.001 7.257 1.00 0.00 O ATOM 0 H GLU A 15 2.770 -10.353 7.570 1.00 0.00 H new ATOM 0 HA GLU A 15 5.644 -10.184 7.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.074 -12.249 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.780 -11.645 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.525 -13.257 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.311 -11.697 5.178 1.00 0.00 H new ATOM 249 N ILE A 16 3.900 -8.701 5.093 1.00 0.00 N ATOM 250 CA ILE A 16 3.941 -7.783 3.925 1.00 0.00 C ATOM 251 C ILE A 16 4.857 -6.579 4.179 1.00 0.00 C ATOM 252 O ILE A 16 5.845 -6.402 3.469 1.00 0.00 O ATOM 253 CB ILE A 16 2.498 -7.420 3.450 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.789 -8.659 2.860 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.399 -6.275 2.438 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.491 -9.247 1.620 1.00 0.00 C ATOM 0 H ILE A 16 2.952 -8.861 5.433 1.00 0.00 H new ATOM 0 HA ILE A 16 4.401 -8.302 3.084 1.00 0.00 H new ATOM 0 HB ILE A 16 2.007 -7.068 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.724 -9.429 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.767 -8.389 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.354 -6.108 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.814 -5.366 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.959 -6.534 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.934 -10.114 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.532 -8.493 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.504 -9.550 1.885 1.00 0.00 H new ATOM 268 N LEU A 17 4.619 -5.810 5.242 1.00 0.00 N ATOM 269 CA LEU A 17 5.477 -4.670 5.621 1.00 0.00 C ATOM 270 C LEU A 17 6.864 -5.128 6.116 1.00 0.00 C ATOM 271 O LEU A 17 7.858 -4.438 5.880 1.00 0.00 O ATOM 272 CB LEU A 17 4.819 -3.767 6.692 1.00 0.00 C ATOM 273 CG LEU A 17 3.685 -4.395 7.525 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.407 -3.601 8.794 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.378 -4.301 6.753 1.00 0.00 C ATOM 0 H LEU A 17 3.828 -5.954 5.869 1.00 0.00 H new ATOM 0 HA LEU A 17 5.606 -4.085 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.597 -3.429 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.425 -2.881 6.194 1.00 0.00 H new ATOM 0 HG LEU A 17 4.000 -5.415 7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.601 -4.077 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.306 -3.572 9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.114 -2.585 8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.575 -4.745 7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.147 -3.254 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.474 -4.836 5.808 1.00 0.00 H new ATOM 287 N ALA A 18 6.940 -6.273 6.803 1.00 0.00 N ATOM 288 CA ALA A 18 8.189 -6.814 7.345 1.00 0.00 C ATOM 289 C ALA A 18 9.132 -7.396 6.269 1.00 0.00 C ATOM 290 O ALA A 18 10.343 -7.485 6.488 1.00 0.00 O ATOM 291 CB ALA A 18 7.838 -7.892 8.374 1.00 0.00 C ATOM 0 H ALA A 18 6.126 -6.856 7.000 1.00 0.00 H new ATOM 0 HA ALA A 18 8.735 -5.989 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.755 -8.309 8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.243 -7.451 9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.266 -8.684 7.891 1.00 0.00 H new ATOM 297 N ASN A 19 8.591 -7.777 5.108 1.00 0.00 N ATOM 298 CA ASN A 19 9.278 -8.463 4.019 1.00 0.00 C ATOM 299 C ASN A 19 9.147 -7.643 2.728 1.00 0.00 C ATOM 300 O ASN A 19 8.254 -7.860 1.907 1.00 0.00 O ATOM 301 CB ASN A 19 8.745 -9.902 3.877 1.00 0.00 C ATOM 302 CG ASN A 19 9.805 -10.830 3.327 1.00 0.00 C ATOM 303 OD1 ASN A 19 9.967 -10.998 2.129 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.603 -11.439 4.171 1.00 0.00 N ATOM 0 H ASN A 19 7.609 -7.604 4.895 1.00 0.00 H new ATOM 0 HA ASN A 19 10.342 -8.546 4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.410 -10.265 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.877 -9.907 3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.347 -12.044 3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.479 -11.308 5.175 1.00 0.00 H new ATOM 311 N ASP A 20 10.046 -6.678 2.540 1.00 0.00 N ATOM 312 CA ASP A 20 10.063 -5.799 1.365 1.00 0.00 C ATOM 313 C ASP A 20 10.071 -6.551 0.023 1.00 0.00 C ATOM 314 O ASP A 20 9.574 -6.024 -0.971 1.00 0.00 O ATOM 315 CB ASP A 20 11.254 -4.837 1.445 1.00 0.00 C ATOM 316 CG ASP A 20 12.613 -5.537 1.269 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.075 -6.211 2.219 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.218 -5.414 0.178 1.00 0.00 O ATOM 0 H ASP A 20 10.793 -6.480 3.206 1.00 0.00 H new ATOM 0 HA ASP A 20 9.127 -5.240 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.146 -4.071 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.237 -4.328 2.409 1.00 0.00 H new ATOM 323 N ARG A 21 10.580 -7.790 -0.012 1.00 0.00 N ATOM 324 CA ARG A 21 10.500 -8.691 -1.178 1.00 0.00 C ATOM 325 C ARG A 21 9.051 -8.943 -1.614 1.00 0.00 C ATOM 326 O ARG A 21 8.749 -8.872 -2.806 1.00 0.00 O ATOM 327 CB ARG A 21 11.168 -10.051 -0.895 1.00 0.00 C ATOM 328 CG ARG A 21 12.505 -10.016 -0.134 1.00 0.00 C ATOM 329 CD ARG A 21 13.071 -11.430 0.078 1.00 0.00 C ATOM 330 NE ARG A 21 12.101 -12.308 0.763 1.00 0.00 N ATOM 331 CZ ARG A 21 12.094 -13.627 0.804 1.00 0.00 C ATOM 332 NH1 ARG A 21 13.049 -14.348 0.288 1.00 0.00 N ATOM 333 NH2 ARG A 21 11.103 -14.249 1.375 1.00 0.00 N ATOM 0 H ARG A 21 11.068 -8.205 0.782 1.00 0.00 H new ATOM 0 HA ARG A 21 11.033 -8.183 -1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.468 -10.663 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.331 -10.555 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.225 -9.414 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.362 -9.532 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.338 -11.864 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.987 -11.371 0.666 1.00 0.00 H new ATOM 0 HE ARG A 21 11.347 -11.839 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.840 -13.895 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.005 -15.366 0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.337 -13.717 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.093 -15.268 1.409 1.00 0.00 H new ATOM 347 N LEU A 22 8.152 -9.202 -0.653 1.00 0.00 N ATOM 348 CA LEU A 22 6.706 -9.294 -0.895 1.00 0.00 C ATOM 349 C LEU A 22 6.159 -7.917 -1.282 1.00 0.00 C ATOM 350 O LEU A 22 5.439 -7.791 -2.271 1.00 0.00 O ATOM 351 CB LEU A 22 5.948 -9.797 0.352 1.00 0.00 C ATOM 352 CG LEU A 22 6.463 -11.093 0.998 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.747 -11.371 2.321 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.238 -12.309 0.112 1.00 0.00 C ATOM 0 H LEU A 22 8.411 -9.355 0.322 1.00 0.00 H new ATOM 0 HA LEU A 22 6.553 -10.009 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.971 -9.009 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.903 -9.945 0.078 1.00 0.00 H new ATOM 0 HG LEU A 22 7.531 -10.938 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.131 -12.294 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.922 -10.545 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.677 -11.473 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.619 -13.199 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.171 -12.428 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.762 -12.172 -0.834 1.00 0.00 H new ATOM 366 N LEU A 23 6.535 -6.877 -0.531 1.00 0.00 N ATOM 367 CA LEU A 23 6.024 -5.521 -0.730 1.00 0.00 C ATOM 368 C LEU A 23 6.278 -5.015 -2.165 1.00 0.00 C ATOM 369 O LEU A 23 5.362 -4.522 -2.818 1.00 0.00 O ATOM 370 CB LEU A 23 6.615 -4.583 0.347 1.00 0.00 C ATOM 371 CG LEU A 23 5.688 -3.450 0.798 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.016 -2.735 -0.368 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.639 -4.004 1.748 1.00 0.00 C ATOM 0 H LEU A 23 7.205 -6.954 0.234 1.00 0.00 H new ATOM 0 HA LEU A 23 4.940 -5.530 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.885 -5.180 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.536 -4.147 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 23 6.303 -2.707 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.372 -1.943 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.777 -2.303 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.417 -3.448 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.978 -3.199 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.055 -4.771 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.130 -4.440 2.618 1.00 0.00 H new ATOM 385 N ASN A 24 7.488 -5.216 -2.700 1.00 0.00 N ATOM 386 CA ASN A 24 7.883 -4.821 -4.061 1.00 0.00 C ATOM 387 C ASN A 24 6.948 -5.364 -5.156 1.00 0.00 C ATOM 388 O ASN A 24 6.685 -4.659 -6.127 1.00 0.00 O ATOM 389 CB ASN A 24 9.341 -5.237 -4.330 1.00 0.00 C ATOM 390 CG ASN A 24 10.326 -4.154 -3.926 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.775 -3.350 -4.731 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.681 -4.080 -2.667 1.00 0.00 N ATOM 0 H ASN A 24 8.242 -5.671 -2.185 1.00 0.00 H new ATOM 0 HA ASN A 24 7.797 -3.735 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.564 -6.152 -3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.464 -5.462 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.329 -3.354 -2.362 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.309 -4.748 -1.992 1.00 0.00 H new ATOM 399 N LYS A 25 6.397 -6.572 -4.985 1.00 0.00 N ATOM 400 CA LYS A 25 5.392 -7.169 -5.887 1.00 0.00 C ATOM 401 C LYS A 25 4.038 -6.455 -5.771 1.00 0.00 C ATOM 402 O LYS A 25 3.404 -6.147 -6.780 1.00 0.00 O ATOM 403 CB LYS A 25 5.293 -8.674 -5.567 1.00 0.00 C ATOM 404 CG LYS A 25 4.116 -9.399 -6.239 1.00 0.00 C ATOM 405 CD LYS A 25 4.129 -10.917 -5.996 1.00 0.00 C ATOM 406 CE LYS A 25 4.141 -11.296 -4.509 1.00 0.00 C ATOM 407 NZ LYS A 25 4.165 -12.773 -4.323 1.00 0.00 N ATOM 0 H LYS A 25 6.639 -7.178 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 25 5.700 -7.045 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.221 -9.158 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.209 -8.797 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.180 -8.985 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.143 -9.208 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.253 -11.361 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.006 -11.348 -6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.012 -10.853 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.260 -10.881 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.173 -12.995 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.321 -13.192 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.018 -13.165 -4.769 1.00 0.00 H new ATOM 421 N TYR A 26 3.623 -6.152 -4.542 1.00 0.00 N ATOM 422 CA TYR A 26 2.346 -5.504 -4.227 1.00 0.00 C ATOM 423 C TYR A 26 2.301 -4.053 -4.736 1.00 0.00 C ATOM 424 O TYR A 26 1.261 -3.609 -5.218 1.00 0.00 O ATOM 425 CB TYR A 26 2.082 -5.571 -2.710 1.00 0.00 C ATOM 426 CG TYR A 26 1.600 -6.917 -2.176 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.270 -8.117 -2.489 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.466 -6.965 -1.342 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.797 -9.351 -2.015 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.011 -8.197 -0.850 1.00 0.00 C ATOM 431 CZ TYR A 26 0.640 -9.398 -1.209 1.00 0.00 C ATOM 432 OH TYR A 26 0.163 -10.605 -0.810 1.00 0.00 O ATOM 0 H TYR A 26 4.180 -6.356 -3.712 1.00 0.00 H new ATOM 0 HA TYR A 26 1.554 -6.045 -4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.001 -5.303 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.340 -4.814 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.159 -8.087 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.043 -6.050 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.318 -10.263 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.873 -8.222 -0.200 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.573 -10.473 -0.176 1.00 0.00 H new ATOM 442 N VAL A 27 3.426 -3.328 -4.703 1.00 0.00 N ATOM 443 CA VAL A 27 3.553 -1.988 -5.316 1.00 0.00 C ATOM 444 C VAL A 27 3.690 -2.046 -6.833 1.00 0.00 C ATOM 445 O VAL A 27 3.089 -1.237 -7.528 1.00 0.00 O ATOM 446 CB VAL A 27 4.691 -1.150 -4.701 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.390 -0.910 -3.225 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.062 -1.810 -4.795 1.00 0.00 C ATOM 0 H VAL A 27 4.281 -3.651 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 27 2.615 -1.482 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 27 4.732 -0.224 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.191 -0.318 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.446 -0.374 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.318 -1.867 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.810 -1.160 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.043 -2.764 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.314 -1.978 -5.842 1.00 0.00 H new ATOM 458 N GLN A 28 4.379 -3.045 -7.390 1.00 0.00 N ATOM 459 CA GLN A 28 4.467 -3.248 -8.847 1.00 0.00 C ATOM 460 C GLN A 28 3.092 -3.293 -9.538 1.00 0.00 C ATOM 461 O GLN A 28 2.971 -2.864 -10.684 1.00 0.00 O ATOM 462 CB GLN A 28 5.243 -4.542 -9.139 1.00 0.00 C ATOM 463 CG GLN A 28 6.453 -4.327 -10.055 1.00 0.00 C ATOM 464 CD GLN A 28 7.482 -5.455 -9.918 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.557 -5.283 -9.355 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.202 -6.658 -10.375 1.00 0.00 N ATOM 0 H GLN A 28 4.893 -3.739 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 28 4.993 -2.386 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.581 -4.976 -8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.570 -5.265 -9.600 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.118 -4.265 -11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.925 -3.374 -9.815 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.315 -6.830 -10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.872 -7.418 -10.256 1.00 0.00 H new ATOM 475 N CYS A 29 2.058 -3.737 -8.810 1.00 0.00 N ATOM 476 CA CYS A 29 0.652 -3.744 -9.223 1.00 0.00 C ATOM 477 C CYS A 29 0.103 -2.388 -9.708 1.00 0.00 C ATOM 478 O CYS A 29 -0.831 -2.360 -10.513 1.00 0.00 O ATOM 479 CB CYS A 29 -0.174 -4.277 -8.044 1.00 0.00 C ATOM 480 SG CYS A 29 -1.956 -4.496 -8.296 1.00 0.00 S ATOM 0 H CYS A 29 2.188 -4.119 -7.873 1.00 0.00 H new ATOM 0 HA CYS A 29 0.574 -4.386 -10.101 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.244 -5.240 -7.749 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.035 -3.598 -7.203 1.00 0.00 H new ATOM 485 N LEU A 30 0.693 -1.273 -9.260 1.00 0.00 N ATOM 486 CA LEU A 30 0.352 0.078 -9.716 1.00 0.00 C ATOM 487 C LEU A 30 1.560 0.920 -10.180 1.00 0.00 C ATOM 488 O LEU A 30 1.355 1.978 -10.779 1.00 0.00 O ATOM 489 CB LEU A 30 -0.562 0.792 -8.688 1.00 0.00 C ATOM 490 CG LEU A 30 -0.090 1.041 -7.235 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.142 -0.205 -6.346 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.315 1.623 -7.152 1.00 0.00 C ATOM 0 H LEU A 30 1.433 -1.286 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.227 -0.037 -10.633 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.819 1.763 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.486 0.216 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.809 1.770 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.204 0.048 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.167 -0.573 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.500 -0.979 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.585 1.774 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.022 0.934 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.345 2.578 -7.676 1.00 0.00 H new ATOM 504 N LEU A 31 2.800 0.471 -9.936 1.00 0.00 N ATOM 505 CA LEU A 31 4.029 1.172 -10.336 1.00 0.00 C ATOM 506 C LEU A 31 4.435 0.843 -11.786 1.00 0.00 C ATOM 507 O LEU A 31 4.780 1.751 -12.542 1.00 0.00 O ATOM 508 CB LEU A 31 5.130 0.928 -9.267 1.00 0.00 C ATOM 509 CG LEU A 31 6.437 0.218 -9.680 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.419 1.151 -10.389 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.156 -0.324 -8.445 1.00 0.00 C ATOM 0 H LEU A 31 2.980 -0.405 -9.446 1.00 0.00 H new ATOM 0 HA LEU A 31 3.856 2.248 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.401 1.897 -8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.682 0.347 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 31 6.141 -0.579 -10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.319 0.597 -10.656 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.956 1.548 -11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.683 1.974 -9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.076 -0.823 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.395 0.500 -7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.510 -1.036 -7.931 1.00 0.00 H new ATOM 523 N GLU A 32 4.369 -0.431 -12.196 1.00 0.00 N ATOM 524 CA GLU A 32 4.746 -0.861 -13.553 1.00 0.00 C ATOM 525 C GLU A 32 3.550 -0.896 -14.527 1.00 0.00 C ATOM 526 O GLU A 32 2.385 -0.799 -14.135 1.00 0.00 O ATOM 527 CB GLU A 32 5.500 -2.206 -13.524 1.00 0.00 C ATOM 528 CG GLU A 32 6.937 -2.040 -13.000 1.00 0.00 C ATOM 529 CD GLU A 32 7.883 -3.117 -13.569 1.00 0.00 C ATOM 530 OE1 GLU A 32 8.436 -2.909 -14.683 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.108 -4.156 -12.914 1.00 0.00 O ATOM 0 H GLU A 32 4.053 -1.194 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 32 5.427 -0.104 -13.941 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.961 -2.912 -12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.525 -2.631 -14.527 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.309 -1.051 -13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.936 -2.096 -11.911 1.00 0.00 H new ATOM 538 N ASP A 33 3.846 -1.041 -15.822 1.00 0.00 N ATOM 539 CA ASP A 33 2.886 -1.032 -16.940 1.00 0.00 C ATOM 540 C ASP A 33 2.014 -2.311 -17.059 1.00 0.00 C ATOM 541 O ASP A 33 1.307 -2.487 -18.055 1.00 0.00 O ATOM 542 CB ASP A 33 3.663 -0.774 -18.243 1.00 0.00 C ATOM 543 CG ASP A 33 4.356 0.599 -18.243 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.674 1.623 -18.494 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.585 0.660 -18.004 1.00 0.00 O ATOM 0 H ASP A 33 4.806 -1.174 -16.139 1.00 0.00 H new ATOM 0 HA ASP A 33 2.170 -0.235 -16.742 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.410 -1.556 -18.380 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.979 -0.834 -19.090 1.00 0.00 H new ATOM 550 N ASP A 34 2.040 -3.208 -16.066 1.00 0.00 N ATOM 551 CA ASP A 34 1.287 -4.472 -16.049 1.00 0.00 C ATOM 552 C ASP A 34 0.695 -4.813 -14.670 1.00 0.00 C ATOM 553 O ASP A 34 1.297 -4.589 -13.617 1.00 0.00 O ATOM 554 CB ASP A 34 2.140 -5.642 -16.581 1.00 0.00 C ATOM 555 CG ASP A 34 3.613 -5.636 -16.126 1.00 0.00 C ATOM 556 OD1 ASP A 34 3.912 -6.136 -15.017 1.00 0.00 O ATOM 557 OD2 ASP A 34 4.484 -5.170 -16.900 1.00 0.00 O ATOM 0 H ASP A 34 2.602 -3.072 -15.226 1.00 0.00 H new ATOM 0 HA ASP A 34 0.441 -4.322 -16.720 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.682 -6.579 -16.264 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.112 -5.626 -17.671 1.00 0.00 H new ATOM 562 N GLU A 35 -0.500 -5.411 -14.695 1.00 0.00 N ATOM 563 CA GLU A 35 -1.249 -5.863 -13.511 1.00 0.00 C ATOM 564 C GLU A 35 -1.025 -7.349 -13.175 1.00 0.00 C ATOM 565 O GLU A 35 -1.603 -7.883 -12.228 1.00 0.00 O ATOM 566 CB GLU A 35 -2.740 -5.514 -13.670 1.00 0.00 C ATOM 567 CG GLU A 35 -3.430 -6.252 -14.828 1.00 0.00 C ATOM 568 CD GLU A 35 -4.909 -5.834 -14.943 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.214 -4.856 -15.670 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.781 -6.485 -14.318 1.00 0.00 O ATOM 0 H GLU A 35 -0.992 -5.602 -15.568 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.856 -5.324 -12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.260 -5.749 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.837 -4.440 -13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.913 -6.035 -15.763 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.363 -7.328 -14.670 1.00 0.00 H new ATOM 577 N SER A 36 -0.134 -8.014 -13.912 1.00 0.00 N ATOM 578 CA SER A 36 0.277 -9.414 -13.678 1.00 0.00 C ATOM 579 C SER A 36 0.881 -9.648 -12.282 1.00 0.00 C ATOM 580 O SER A 36 0.893 -10.772 -11.777 1.00 0.00 O ATOM 581 CB SER A 36 1.311 -9.832 -14.731 1.00 0.00 C ATOM 582 OG SER A 36 0.838 -9.584 -16.048 1.00 0.00 O ATOM 0 H SER A 36 0.338 -7.590 -14.710 1.00 0.00 H new ATOM 0 HA SER A 36 -0.629 -10.015 -13.750 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.240 -9.286 -14.568 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.540 -10.892 -14.618 1.00 0.00 H new ATOM 0 HG SER A 36 1.519 -9.859 -16.697 1.00 0.00 H new ATOM 588 N ASN A 37 1.379 -8.578 -11.655 1.00 0.00 N ATOM 589 CA ASN A 37 2.008 -8.564 -10.331 1.00 0.00 C ATOM 590 C ASN A 37 1.006 -8.667 -9.162 1.00 0.00 C ATOM 591 O ASN A 37 1.388 -9.026 -8.050 1.00 0.00 O ATOM 592 CB ASN A 37 2.800 -7.250 -10.212 1.00 0.00 C ATOM 593 CG ASN A 37 3.737 -7.023 -11.388 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.764 -7.668 -11.521 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.413 -6.113 -12.275 1.00 0.00 N ATOM 0 H ASN A 37 1.353 -7.651 -12.079 1.00 0.00 H new ATOM 0 HA ASN A 37 2.646 -9.444 -10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.103 -6.415 -10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.379 -7.261 -9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.020 -5.944 -13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.554 -5.574 -12.163 1.00 0.00 H new ATOM 602 N CYS A 38 -0.262 -8.314 -9.392 1.00 0.00 N ATOM 603 CA CYS A 38 -1.283 -8.202 -8.348 1.00 0.00 C ATOM 604 C CYS A 38 -1.702 -9.589 -7.811 1.00 0.00 C ATOM 605 O CYS A 38 -2.328 -10.373 -8.530 1.00 0.00 O ATOM 606 CB CYS A 38 -2.491 -7.449 -8.928 1.00 0.00 C ATOM 607 SG CYS A 38 -2.155 -5.873 -9.771 1.00 0.00 S ATOM 0 H CYS A 38 -0.613 -8.095 -10.324 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.873 -7.650 -7.502 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.995 -8.110 -9.633 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.192 -7.256 -8.116 1.00 0.00 H new ATOM 612 N THR A 39 -1.376 -9.904 -6.551 1.00 0.00 N ATOM 613 CA THR A 39 -1.863 -11.121 -5.864 1.00 0.00 C ATOM 614 C THR A 39 -3.343 -10.986 -5.473 1.00 0.00 C ATOM 615 O THR A 39 -3.893 -9.882 -5.491 1.00 0.00 O ATOM 616 CB THR A 39 -1.032 -11.427 -4.606 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.127 -10.358 -3.702 1.00 0.00 O ATOM 618 CG2 THR A 39 0.449 -11.641 -4.912 1.00 0.00 C ATOM 0 H THR A 39 -0.767 -9.325 -5.973 1.00 0.00 H new ATOM 0 HA THR A 39 -1.754 -11.945 -6.569 1.00 0.00 H new ATOM 0 HB THR A 39 -1.438 -12.348 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.378 -10.395 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.985 -11.853 -3.987 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.561 -12.481 -5.597 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.859 -10.741 -5.371 1.00 0.00 H new ATOM 626 N ALA A 40 -4.004 -12.087 -5.097 1.00 0.00 N ATOM 627 CA ALA A 40 -5.425 -12.083 -4.721 1.00 0.00 C ATOM 628 C ALA A 40 -5.753 -11.094 -3.579 1.00 0.00 C ATOM 629 O ALA A 40 -6.723 -10.338 -3.667 1.00 0.00 O ATOM 630 CB ALA A 40 -5.831 -13.517 -4.355 1.00 0.00 C ATOM 0 H ALA A 40 -3.569 -13.008 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.005 -11.731 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.884 -13.536 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.674 -14.170 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.224 -13.865 -3.519 1.00 0.00 H new ATOM 636 N ASP A 41 -4.922 -11.056 -2.533 1.00 0.00 N ATOM 637 CA ASP A 41 -5.046 -10.127 -1.404 1.00 0.00 C ATOM 638 C ASP A 41 -4.319 -8.786 -1.633 1.00 0.00 C ATOM 639 O ASP A 41 -4.770 -7.761 -1.123 1.00 0.00 O ATOM 640 CB ASP A 41 -4.552 -10.813 -0.122 1.00 0.00 C ATOM 641 CG ASP A 41 -3.074 -11.223 -0.203 1.00 0.00 C ATOM 642 OD1 ASP A 41 -2.768 -12.220 -0.900 1.00 0.00 O ATOM 643 OD2 ASP A 41 -2.224 -10.538 0.412 1.00 0.00 O ATOM 0 H ASP A 41 -4.124 -11.686 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.101 -9.874 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.692 -10.139 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.160 -11.697 0.070 1.00 0.00 H new ATOM 648 N GLY A 42 -3.254 -8.748 -2.445 1.00 0.00 N ATOM 649 CA GLY A 42 -2.530 -7.519 -2.792 1.00 0.00 C ATOM 650 C GLY A 42 -3.336 -6.574 -3.679 1.00 0.00 C ATOM 651 O GLY A 42 -3.358 -5.364 -3.446 1.00 0.00 O ATOM 0 H GLY A 42 -2.866 -9.582 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.252 -6.998 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.603 -7.783 -3.302 1.00 0.00 H new ATOM 655 N LYS A 43 -4.074 -7.136 -4.642 1.00 0.00 N ATOM 656 CA LYS A 43 -5.104 -6.446 -5.435 1.00 0.00 C ATOM 657 C LYS A 43 -6.179 -5.825 -4.543 1.00 0.00 C ATOM 658 O LYS A 43 -6.531 -4.662 -4.715 1.00 0.00 O ATOM 659 CB LYS A 43 -5.745 -7.456 -6.406 1.00 0.00 C ATOM 660 CG LYS A 43 -6.801 -6.838 -7.347 1.00 0.00 C ATOM 661 CD LYS A 43 -8.023 -7.755 -7.517 1.00 0.00 C ATOM 662 CE LYS A 43 -7.718 -9.082 -8.231 1.00 0.00 C ATOM 663 NZ LYS A 43 -7.474 -8.896 -9.688 1.00 0.00 N ATOM 0 H LYS A 43 -3.969 -8.117 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.631 -5.636 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.960 -7.914 -7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.211 -8.255 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.122 -5.875 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.352 -6.647 -8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.441 -7.972 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.789 -7.221 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.843 -9.545 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.553 -9.769 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.273 -9.817 -10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.317 -8.479 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.661 -8.262 -9.826 1.00 0.00 H new ATOM 677 N GLU A 44 -6.706 -6.578 -3.580 1.00 0.00 N ATOM 678 CA GLU A 44 -7.722 -6.060 -2.664 1.00 0.00 C ATOM 679 C GLU A 44 -7.146 -4.937 -1.779 1.00 0.00 C ATOM 680 O GLU A 44 -7.755 -3.873 -1.667 1.00 0.00 O ATOM 681 CB GLU A 44 -8.293 -7.228 -1.845 1.00 0.00 C ATOM 682 CG GLU A 44 -9.585 -6.873 -1.103 1.00 0.00 C ATOM 683 CD GLU A 44 -10.790 -6.767 -2.060 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.423 -7.809 -2.362 1.00 0.00 O ATOM 685 OE2 GLU A 44 -11.117 -5.643 -2.507 1.00 0.00 O ATOM 0 H GLU A 44 -6.446 -7.550 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.538 -5.608 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.484 -8.070 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.546 -7.556 -1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.788 -7.631 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.454 -5.926 -0.579 1.00 0.00 H new ATOM 692 N LEU A 45 -5.932 -5.121 -1.238 1.00 0.00 N ATOM 693 CA LEU A 45 -5.209 -4.130 -0.434 1.00 0.00 C ATOM 694 C LEU A 45 -4.984 -2.823 -1.209 1.00 0.00 C ATOM 695 O LEU A 45 -5.417 -1.765 -0.755 1.00 0.00 O ATOM 696 CB LEU A 45 -3.899 -4.776 0.084 1.00 0.00 C ATOM 697 CG LEU A 45 -2.900 -3.814 0.768 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.181 -4.470 1.955 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.808 -3.340 -0.198 1.00 0.00 C ATOM 0 H LEU A 45 -5.412 -5.991 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.808 -3.840 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.159 -5.563 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.396 -5.256 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.506 -2.974 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.490 -3.755 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.915 -4.780 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.626 -5.342 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.128 -2.666 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.252 -4.201 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.266 -2.815 -1.036 1.00 0.00 H new ATOM 711 N LYS A 46 -4.392 -2.864 -2.412 1.00 0.00 N ATOM 712 CA LYS A 46 -4.149 -1.651 -3.215 1.00 0.00 C ATOM 713 C LYS A 46 -5.437 -0.953 -3.654 1.00 0.00 C ATOM 714 O LYS A 46 -5.417 0.249 -3.908 1.00 0.00 O ATOM 715 CB LYS A 46 -3.198 -1.929 -4.397 1.00 0.00 C ATOM 716 CG LYS A 46 -3.812 -2.734 -5.558 1.00 0.00 C ATOM 717 CD LYS A 46 -3.981 -1.990 -6.896 1.00 0.00 C ATOM 718 CE LYS A 46 -4.889 -0.759 -6.812 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.050 -0.090 -8.130 1.00 0.00 N ATOM 0 H LYS A 46 -4.071 -3.726 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.644 -0.944 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.840 -0.976 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.327 -2.468 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.189 -3.611 -5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.791 -3.095 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.999 -1.681 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.388 -2.680 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.868 -1.056 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.473 -0.051 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.672 0.737 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.120 0.218 -8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.471 -0.756 -8.808 1.00 0.00 H new ATOM 733 N SER A 47 -6.538 -1.698 -3.763 1.00 0.00 N ATOM 734 CA SER A 47 -7.847 -1.194 -4.198 1.00 0.00 C ATOM 735 C SER A 47 -8.571 -0.436 -3.076 1.00 0.00 C ATOM 736 O SER A 47 -9.286 0.530 -3.345 1.00 0.00 O ATOM 737 CB SER A 47 -8.712 -2.360 -4.699 1.00 0.00 C ATOM 738 OG SER A 47 -9.911 -1.884 -5.286 1.00 0.00 O ATOM 0 H SER A 47 -6.547 -2.695 -3.546 1.00 0.00 H new ATOM 0 HA SER A 47 -7.681 -0.488 -5.011 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.153 -2.946 -5.429 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.948 -3.026 -3.869 1.00 0.00 H new ATOM 0 HG SER A 47 -10.446 -2.643 -5.599 1.00 0.00 H new ATOM 744 N VAL A 48 -8.328 -0.803 -1.808 1.00 0.00 N ATOM 745 CA VAL A 48 -8.852 -0.079 -0.635 1.00 0.00 C ATOM 746 C VAL A 48 -7.932 1.053 -0.147 1.00 0.00 C ATOM 747 O VAL A 48 -8.415 1.978 0.512 1.00 0.00 O ATOM 748 CB VAL A 48 -9.205 -1.056 0.503 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.983 -1.750 1.093 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.895 -0.347 1.663 1.00 0.00 C ATOM 0 H VAL A 48 -7.760 -1.614 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.767 0.413 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.863 -1.789 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.297 -2.425 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.476 -2.319 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.301 -1.003 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.128 -1.070 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.234 0.422 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.817 0.115 1.310 1.00 0.00 H new ATOM 760 N ILE A 49 -6.637 1.058 -0.495 1.00 0.00 N ATOM 761 CA ILE A 49 -5.727 2.154 -0.111 1.00 0.00 C ATOM 762 C ILE A 49 -6.298 3.537 -0.495 1.00 0.00 C ATOM 763 O ILE A 49 -6.327 4.412 0.369 1.00 0.00 O ATOM 764 CB ILE A 49 -4.280 1.968 -0.648 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.532 0.922 0.210 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.461 3.283 -0.644 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.131 0.538 -0.287 1.00 0.00 C ATOM 0 H ILE A 49 -6.194 0.318 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.656 2.112 0.976 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.374 1.634 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.445 1.307 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.140 0.019 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.460 3.089 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.956 4.022 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.390 3.664 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.696 -0.201 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.203 0.117 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.498 1.425 -0.311 1.00 0.00 H new ATOM 779 N PRO A 50 -6.797 3.767 -1.736 1.00 0.00 N ATOM 780 CA PRO A 50 -7.361 5.059 -2.116 1.00 0.00 C ATOM 781 C PRO A 50 -8.740 5.330 -1.481 1.00 0.00 C ATOM 782 O PRO A 50 -9.124 6.471 -1.298 1.00 0.00 O ATOM 783 CB PRO A 50 -7.446 5.032 -3.646 1.00 0.00 C ATOM 784 CG PRO A 50 -7.618 3.548 -3.964 1.00 0.00 C ATOM 785 CD PRO A 50 -6.805 2.863 -2.880 1.00 0.00 C ATOM 0 HA PRO A 50 -6.732 5.871 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.286 5.622 -4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.546 5.440 -4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.665 3.248 -3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.247 3.304 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.246 1.903 -2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.790 2.663 -3.224 1.00 0.00 H new ATOM 793 N ASP A 51 -9.488 4.279 -1.080 1.00 0.00 N ATOM 794 CA ASP A 51 -10.750 4.425 -0.337 1.00 0.00 C ATOM 795 C ASP A 51 -10.538 5.028 1.062 1.00 0.00 C ATOM 796 O ASP A 51 -11.363 5.810 1.532 1.00 0.00 O ATOM 797 CB ASP A 51 -11.476 3.071 -0.231 1.00 0.00 C ATOM 798 CG ASP A 51 -12.612 2.934 -1.253 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.351 2.943 -2.477 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.780 2.815 -0.811 1.00 0.00 O ATOM 0 H ASP A 51 -9.231 3.309 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.372 5.121 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.758 2.264 -0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.880 2.956 0.775 1.00 0.00 H new ATOM 805 N ALA A 52 -9.388 4.759 1.698 1.00 0.00 N ATOM 806 CA ALA A 52 -8.962 5.448 2.919 1.00 0.00 C ATOM 807 C ALA A 52 -8.694 6.960 2.725 1.00 0.00 C ATOM 808 O ALA A 52 -8.567 7.693 3.703 1.00 0.00 O ATOM 809 CB ALA A 52 -7.745 4.718 3.501 1.00 0.00 C ATOM 0 H ALA A 52 -8.726 4.053 1.376 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.789 5.410 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.419 5.222 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.016 3.688 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.934 4.724 2.772 1.00 0.00 H new ATOM 815 N LEU A 53 -8.664 7.433 1.469 1.00 0.00 N ATOM 816 CA LEU A 53 -8.438 8.828 1.068 1.00 0.00 C ATOM 817 C LEU A 53 -9.708 9.476 0.464 1.00 0.00 C ATOM 818 O LEU A 53 -9.741 10.687 0.245 1.00 0.00 O ATOM 819 CB LEU A 53 -7.272 8.892 0.054 1.00 0.00 C ATOM 820 CG LEU A 53 -6.071 7.961 0.320 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.054 8.036 -0.816 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.356 8.274 1.633 1.00 0.00 C ATOM 0 H LEU A 53 -8.804 6.820 0.666 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.183 9.395 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.668 8.662 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.906 9.918 0.020 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.488 6.956 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.219 7.370 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.528 7.734 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.688 9.058 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.520 7.587 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.983 9.298 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.053 8.161 2.463 1.00 0.00 H new ATOM 834 N SER A 54 -10.757 8.675 0.216 1.00 0.00 N ATOM 835 CA SER A 54 -12.005 9.074 -0.464 1.00 0.00 C ATOM 836 C SER A 54 -13.242 8.998 0.448 1.00 0.00 C ATOM 837 O SER A 54 -14.138 9.840 0.367 1.00 0.00 O ATOM 838 CB SER A 54 -12.216 8.159 -1.680 1.00 0.00 C ATOM 839 OG SER A 54 -13.127 8.732 -2.606 1.00 0.00 O ATOM 0 H SER A 54 -10.761 7.693 0.493 1.00 0.00 H new ATOM 0 HA SER A 54 -11.896 10.117 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.260 7.978 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.592 7.191 -1.348 1.00 0.00 H new ATOM 0 HG SER A 54 -13.240 8.128 -3.370 1.00 0.00 H new ATOM 845 N ASN A 55 -13.266 8.019 1.359 1.00 0.00 N ATOM 846 CA ASN A 55 -14.332 7.765 2.340 1.00 0.00 C ATOM 847 C ASN A 55 -13.761 7.240 3.675 1.00 0.00 C ATOM 848 O ASN A 55 -14.453 6.545 4.414 1.00 0.00 O ATOM 849 CB ASN A 55 -15.418 6.841 1.730 1.00 0.00 C ATOM 850 CG ASN A 55 -14.896 5.815 0.739 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.948 6.002 -0.468 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.373 4.707 1.206 1.00 0.00 N ATOM 0 H ASN A 55 -12.503 7.346 1.438 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.820 8.709 2.582 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.927 6.318 2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.164 7.460 1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.011 4.003 0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.329 4.549 2.213 1.00 0.00 H new ATOM 859 N GLU A 56 -12.492 7.539 3.984 1.00 0.00 N ATOM 860 CA GLU A 56 -11.802 7.173 5.240 1.00 0.00 C ATOM 861 C GLU A 56 -11.921 5.677 5.618 1.00 0.00 C ATOM 862 O GLU A 56 -11.928 5.311 6.795 1.00 0.00 O ATOM 863 CB GLU A 56 -12.234 8.127 6.374 1.00 0.00 C ATOM 864 CG GLU A 56 -11.923 9.597 6.057 1.00 0.00 C ATOM 865 CD GLU A 56 -12.298 10.509 7.241 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.454 10.998 7.297 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.438 10.756 8.122 1.00 0.00 O ATOM 0 H GLU A 56 -11.891 8.061 3.346 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.733 7.304 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.304 8.015 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.727 7.843 7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.863 9.707 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.473 9.905 5.168 1.00 0.00 H new ATOM 874 N CYS A 57 -12.026 4.800 4.608 1.00 0.00 N ATOM 875 CA CYS A 57 -12.262 3.359 4.745 1.00 0.00 C ATOM 876 C CYS A 57 -13.563 3.020 5.510 1.00 0.00 C ATOM 877 O CYS A 57 -13.656 1.999 6.192 1.00 0.00 O ATOM 878 CB CYS A 57 -11.012 2.681 5.346 1.00 0.00 C ATOM 879 SG CYS A 57 -10.547 1.057 4.677 1.00 0.00 S ATOM 0 H CYS A 57 -11.945 5.090 3.634 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.425 2.950 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.166 3.355 5.215 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.170 2.572 6.419 1.00 0.00 H new ATOM 884 N ALA A 58 -14.592 3.869 5.455 1.00 0.00 N ATOM 885 CA ALA A 58 -15.805 3.678 6.248 1.00 0.00 C ATOM 886 C ALA A 58 -16.592 2.408 5.875 1.00 0.00 C ATOM 887 O ALA A 58 -17.116 1.735 6.766 1.00 0.00 O ATOM 888 CB ALA A 58 -16.670 4.944 6.122 1.00 0.00 C ATOM 0 H ALA A 58 -14.607 4.701 4.865 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.513 3.524 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.581 4.822 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.113 5.804 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.930 5.105 5.076 1.00 0.00 H new ATOM 894 N LYS A 59 -16.595 2.023 4.591 1.00 0.00 N ATOM 895 CA LYS A 59 -17.237 0.785 4.098 1.00 0.00 C ATOM 896 C LYS A 59 -16.414 -0.500 4.323 1.00 0.00 C ATOM 897 O LYS A 59 -16.921 -1.601 4.107 1.00 0.00 O ATOM 898 CB LYS A 59 -17.599 0.951 2.608 1.00 0.00 C ATOM 899 CG LYS A 59 -18.548 2.126 2.302 1.00 0.00 C ATOM 900 CD LYS A 59 -19.897 2.029 3.035 1.00 0.00 C ATOM 901 CE LYS A 59 -20.827 3.164 2.593 1.00 0.00 C ATOM 902 NZ LYS A 59 -22.141 3.094 3.284 1.00 0.00 N ATOM 0 H LYS A 59 -16.147 2.566 3.852 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.138 0.648 4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.680 1.086 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.060 0.028 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.059 3.060 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.729 2.167 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.363 1.066 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.737 2.079 4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.356 4.124 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.979 3.112 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.745 3.877 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.601 2.188 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.997 3.169 4.311 1.00 0.00 H new ATOM 916 N CYS A 60 -15.159 -0.373 4.755 1.00 0.00 N ATOM 917 CA CYS A 60 -14.229 -1.467 5.014 1.00 0.00 C ATOM 918 C CYS A 60 -14.596 -2.290 6.255 1.00 0.00 C ATOM 919 O CYS A 60 -15.210 -1.788 7.200 1.00 0.00 O ATOM 920 CB CYS A 60 -12.853 -0.848 5.263 1.00 0.00 C ATOM 921 SG CYS A 60 -12.243 0.201 3.927 1.00 0.00 S ATOM 0 H CYS A 60 -14.746 0.541 4.942 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.254 -2.136 4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.896 -0.258 6.179 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.135 -1.650 5.433 1.00 0.00 H new ATOM 926 N ASN A 61 -14.077 -3.511 6.306 1.00 0.00 N ATOM 927 CA ASN A 61 -13.930 -4.293 7.539 1.00 0.00 C ATOM 928 C ASN A 61 -12.722 -3.819 8.370 1.00 0.00 C ATOM 929 O ASN A 61 -11.788 -3.215 7.838 1.00 0.00 O ATOM 930 CB ASN A 61 -13.809 -5.789 7.188 1.00 0.00 C ATOM 931 CG ASN A 61 -12.640 -6.126 6.275 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.416 -5.514 5.243 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.845 -7.109 6.616 1.00 0.00 N ATOM 0 H ASN A 61 -13.738 -4.000 5.477 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.817 -4.142 8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.710 -6.360 8.111 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.733 -6.114 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.052 -7.353 6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.018 -7.630 7.475 1.00 0.00 H new ATOM 940 N GLU A 62 -12.704 -4.143 9.668 1.00 0.00 N ATOM 941 CA GLU A 62 -11.642 -3.741 10.612 1.00 0.00 C ATOM 942 C GLU A 62 -10.222 -4.110 10.153 1.00 0.00 C ATOM 943 O GLU A 62 -9.281 -3.337 10.359 1.00 0.00 O ATOM 944 CB GLU A 62 -11.929 -4.318 12.012 1.00 0.00 C ATOM 945 CG GLU A 62 -11.880 -5.856 12.107 1.00 0.00 C ATOM 946 CD GLU A 62 -12.245 -6.325 13.529 1.00 0.00 C ATOM 947 OE1 GLU A 62 -13.454 -6.464 13.835 1.00 0.00 O ATOM 948 OE2 GLU A 62 -11.323 -6.562 14.348 1.00 0.00 O ATOM 0 H GLU A 62 -13.437 -4.702 10.104 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.664 -2.652 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.206 -3.903 12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.915 -3.981 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.571 -6.292 11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.883 -6.210 11.847 1.00 0.00 H new ATOM 955 N LYS A 63 -10.074 -5.262 9.482 1.00 0.00 N ATOM 956 CA LYS A 63 -8.786 -5.764 8.981 1.00 0.00 C ATOM 957 C LYS A 63 -8.184 -4.832 7.923 1.00 0.00 C ATOM 958 O LYS A 63 -6.974 -4.630 7.903 1.00 0.00 O ATOM 959 CB LYS A 63 -8.992 -7.182 8.418 1.00 0.00 C ATOM 960 CG LYS A 63 -7.785 -8.117 8.609 1.00 0.00 C ATOM 961 CD LYS A 63 -8.042 -9.212 9.658 1.00 0.00 C ATOM 962 CE LYS A 63 -7.987 -8.696 11.095 1.00 0.00 C ATOM 963 NZ LYS A 63 -8.160 -9.776 12.104 1.00 0.00 N ATOM 0 H LYS A 63 -10.857 -5.880 9.269 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.074 -5.797 9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.863 -7.628 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.217 -7.109 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.538 -8.584 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.918 -7.528 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.020 -9.657 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.303 -10.004 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.031 -8.200 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.765 -7.945 11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.114 -9.369 13.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.083 -10.234 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.404 -10.481 11.991 1.00 0.00 H new ATOM 977 N GLN A 64 -9.030 -4.241 7.075 1.00 0.00 N ATOM 978 CA GLN A 64 -8.642 -3.218 6.097 1.00 0.00 C ATOM 979 C GLN A 64 -8.476 -1.836 6.738 1.00 0.00 C ATOM 980 O GLN A 64 -7.448 -1.203 6.509 1.00 0.00 O ATOM 981 CB GLN A 64 -9.677 -3.153 4.966 1.00 0.00 C ATOM 982 CG GLN A 64 -9.617 -4.399 4.081 1.00 0.00 C ATOM 983 CD GLN A 64 -10.512 -4.330 2.845 1.00 0.00 C ATOM 984 OE1 GLN A 64 -11.343 -3.451 2.653 1.00 0.00 O ATOM 985 NE2 GLN A 64 -10.334 -5.259 1.933 1.00 0.00 N ATOM 0 H GLN A 64 -10.025 -4.464 7.048 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.672 -3.506 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.676 -3.054 5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.499 -2.265 4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.587 -4.556 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.902 -5.267 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.644 -5.996 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.885 -5.244 1.075 1.00 0.00 H new ATOM 994 N LYS A 65 -9.433 -1.393 7.571 1.00 0.00 N ATOM 995 CA LYS A 65 -9.374 -0.093 8.284 1.00 0.00 C ATOM 996 C LYS A 65 -8.039 0.117 9.002 1.00 0.00 C ATOM 997 O LYS A 65 -7.386 1.139 8.807 1.00 0.00 O ATOM 998 CB LYS A 65 -10.491 0.082 9.330 1.00 0.00 C ATOM 999 CG LYS A 65 -11.935 0.167 8.813 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.807 0.884 9.864 1.00 0.00 C ATOM 1001 CE LYS A 65 -14.322 0.638 9.787 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.867 0.732 8.412 1.00 0.00 N ATOM 0 H LYS A 65 -10.278 -1.927 7.774 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.501 0.647 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.432 -0.752 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.282 0.989 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.964 0.709 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.325 -0.833 8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.463 0.583 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.631 1.956 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.543 -0.350 10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.832 1.362 10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.761 1.263 8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.184 1.224 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.039 -0.224 8.040 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.631 -0.850 9.824 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.336 -0.820 10.512 1.00 0.00 C ATOM 1018 C GLU A 66 -5.180 -1.193 9.573 1.00 0.00 C ATOM 1019 O GLU A 66 -4.112 -0.587 9.650 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.362 -1.765 11.727 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.323 -1.297 12.832 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.882 0.033 13.455 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.048 0.040 14.392 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -7.360 1.105 12.994 1.00 0.00 O ATOM 0 H GLU A 66 -8.188 -1.678 10.033 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.165 0.202 10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.654 -2.763 11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.356 -1.846 12.139 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.325 -1.188 12.418 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.380 -2.059 13.609 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.402 -2.152 8.668 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.402 -2.675 7.739 1.00 0.00 C ATOM 1033 C GLY A 67 -3.823 -1.622 6.800 1.00 0.00 C ATOM 1034 O GLY A 67 -2.628 -1.351 6.854 1.00 0.00 O ATOM 0 H GLY A 67 -6.313 -2.598 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.590 -3.125 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.853 -3.470 7.145 1.00 0.00 H new ATOM 1038 N THR A 68 -4.624 -0.961 5.963 1.00 0.00 N ATOM 1039 CA THR A 68 -4.063 0.054 5.053 1.00 0.00 C ATOM 1040 C THR A 68 -3.498 1.253 5.812 1.00 0.00 C ATOM 1041 O THR A 68 -2.455 1.772 5.423 1.00 0.00 O ATOM 1042 CB THR A 68 -5.060 0.518 3.986 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.277 0.964 4.545 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.356 -0.635 3.036 1.00 0.00 C ATOM 0 H THR A 68 -5.632 -1.099 5.891 1.00 0.00 H new ATOM 0 HA THR A 68 -3.242 -0.442 4.534 1.00 0.00 H new ATOM 0 HB THR A 68 -4.603 1.355 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.700 0.229 5.036 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.065 -0.307 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.432 -0.957 2.556 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.783 -1.467 3.596 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.116 1.647 6.936 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.655 2.741 7.808 1.00 0.00 C ATOM 1054 C LYS A 69 -2.275 2.479 8.428 1.00 0.00 C ATOM 1055 O LYS A 69 -1.436 3.380 8.417 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.748 3.017 8.857 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.464 4.201 9.804 1.00 0.00 C ATOM 1058 CD LYS A 69 -3.800 3.834 11.148 1.00 0.00 C ATOM 1059 CE LYS A 69 -4.573 2.822 12.011 1.00 0.00 C ATOM 1060 NZ LYS A 69 -5.930 3.298 12.387 1.00 0.00 N ATOM 0 H LYS A 69 -4.971 1.204 7.273 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.504 3.637 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.688 3.205 8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.889 2.118 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.823 4.913 9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.405 4.711 10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.808 3.430 10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.660 4.747 11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.661 1.882 11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.003 2.614 12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.428 2.549 12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.847 4.143 12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.465 3.535 11.527 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.998 1.262 8.922 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.643 0.875 9.368 1.00 0.00 C ATOM 1076 C LYS A 70 0.312 0.756 8.178 1.00 0.00 C ATOM 1077 O LYS A 70 1.429 1.261 8.229 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.659 -0.380 10.284 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.863 -1.738 9.587 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.054 -2.971 10.485 1.00 0.00 C ATOM 1081 CE LYS A 70 0.169 -3.262 11.367 1.00 0.00 C ATOM 1082 NZ LYS A 70 0.013 -4.522 12.144 1.00 0.00 N ATOM 0 H LYS A 70 -2.695 0.524 9.024 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.254 1.676 9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.283 -0.415 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.451 -0.253 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.734 -1.656 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.002 -1.920 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.927 -2.820 11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.261 -3.840 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.059 -3.331 10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.326 -2.430 12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.618 -4.486 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.980 -4.631 12.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.292 -5.331 11.553 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.106 0.108 7.093 1.00 0.00 N ATOM 1097 CA VAL A 71 0.756 -0.208 5.938 1.00 0.00 C ATOM 1098 C VAL A 71 1.260 1.030 5.207 1.00 0.00 C ATOM 1099 O VAL A 71 2.461 1.112 4.965 1.00 0.00 O ATOM 1100 CB VAL A 71 0.022 -1.177 4.998 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.715 -1.391 3.646 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.093 -2.528 5.716 1.00 0.00 C ATOM 0 H VAL A 71 -1.065 -0.220 6.982 1.00 0.00 H new ATOM 0 HA VAL A 71 1.654 -0.695 6.317 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.948 -0.735 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.132 -2.088 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.794 -0.438 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.712 -1.799 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.611 -3.239 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.904 -2.905 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.654 -2.401 6.642 1.00 0.00 H new ATOM 1112 N LEU A 72 0.402 2.020 4.936 1.00 0.00 N ATOM 1113 CA LEU A 72 0.796 3.288 4.303 1.00 0.00 C ATOM 1114 C LEU A 72 1.977 3.951 5.018 1.00 0.00 C ATOM 1115 O LEU A 72 2.894 4.430 4.353 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.452 4.182 4.105 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.436 5.672 4.494 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.763 6.256 4.014 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.368 5.899 6.010 1.00 0.00 C ATOM 0 H LEU A 72 -0.594 1.965 5.151 1.00 0.00 H new ATOM 0 HA LEU A 72 1.189 3.095 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.715 4.132 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.268 3.717 4.659 1.00 0.00 H new ATOM 0 HG LEU A 72 0.446 6.134 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.806 7.316 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.844 6.135 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.587 5.734 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.360 6.969 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.237 5.444 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.541 5.446 6.405 1.00 0.00 H new ATOM 1131 N LYS A 73 2.003 3.898 6.358 1.00 0.00 N ATOM 1132 CA LYS A 73 3.019 4.541 7.200 1.00 0.00 C ATOM 1133 C LYS A 73 4.379 3.853 7.079 1.00 0.00 C ATOM 1134 O LYS A 73 5.402 4.508 6.879 1.00 0.00 O ATOM 1135 CB LYS A 73 2.502 4.499 8.655 1.00 0.00 C ATOM 1136 CG LYS A 73 3.408 5.202 9.677 1.00 0.00 C ATOM 1137 CD LYS A 73 3.521 6.715 9.448 1.00 0.00 C ATOM 1138 CE LYS A 73 2.519 7.556 10.259 1.00 0.00 C ATOM 1139 NZ LYS A 73 1.088 7.245 9.979 1.00 0.00 N ATOM 0 H LYS A 73 1.300 3.394 6.898 1.00 0.00 H new ATOM 0 HA LYS A 73 3.173 5.570 6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.514 4.958 8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.380 3.458 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.021 5.021 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.403 4.760 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.532 7.034 9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.376 6.922 8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.711 7.403 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.697 8.611 10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.480 7.920 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.910 7.319 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.874 6.279 10.298 1.00 0.00 H new ATOM 1153 N HIS A 74 4.378 2.524 7.150 1.00 0.00 N ATOM 1154 CA HIS A 74 5.559 1.684 6.909 1.00 0.00 C ATOM 1155 C HIS A 74 6.070 1.860 5.481 1.00 0.00 C ATOM 1156 O HIS A 74 7.269 2.036 5.295 1.00 0.00 O ATOM 1157 CB HIS A 74 5.260 0.198 7.169 1.00 0.00 C ATOM 1158 CG HIS A 74 4.894 -0.144 8.591 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.613 -0.119 9.099 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.701 -0.677 9.550 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.621 -0.665 10.317 1.00 0.00 C ATOM 1162 NE2 HIS A 74 4.898 -0.989 10.641 1.00 0.00 N ATOM 0 H HIS A 74 3.543 1.986 7.381 1.00 0.00 H new ATOM 0 HA HIS A 74 6.330 2.008 7.608 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.444 -0.111 6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.135 -0.387 6.885 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.793 0.256 8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.768 -0.829 9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.754 -0.823 10.941 1.00 0.00 H new ATOM 1171 N LEU A 75 5.189 1.867 4.481 1.00 0.00 N ATOM 1172 CA LEU A 75 5.571 2.019 3.075 1.00 0.00 C ATOM 1173 C LEU A 75 6.301 3.351 2.831 1.00 0.00 C ATOM 1174 O LEU A 75 7.364 3.349 2.217 1.00 0.00 O ATOM 1175 CB LEU A 75 4.318 1.921 2.180 1.00 0.00 C ATOM 1176 CG LEU A 75 4.140 0.571 1.469 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.282 -0.634 2.405 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.766 0.554 0.796 1.00 0.00 C ATOM 0 H LEU A 75 4.184 1.767 4.623 1.00 0.00 H new ATOM 0 HA LEU A 75 6.260 1.214 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.436 2.113 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.363 2.709 1.428 1.00 0.00 H new ATOM 0 HG LEU A 75 4.939 0.477 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.145 -1.554 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.275 -0.630 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.528 -0.576 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.623 -0.398 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.990 0.682 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.706 1.366 0.072 1.00 0.00 H new ATOM 1190 N ILE A 76 5.798 4.476 3.360 1.00 0.00 N ATOM 1191 CA ILE A 76 6.501 5.768 3.258 1.00 0.00 C ATOM 1192 C ILE A 76 7.827 5.774 4.047 1.00 0.00 C ATOM 1193 O ILE A 76 8.816 6.332 3.574 1.00 0.00 O ATOM 1194 CB ILE A 76 5.544 6.943 3.590 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.117 8.336 3.278 1.00 0.00 C ATOM 1196 CG2 ILE A 76 4.955 6.980 5.005 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.921 9.010 4.403 1.00 0.00 C ATOM 0 H ILE A 76 4.911 4.520 3.861 1.00 0.00 H new ATOM 0 HA ILE A 76 6.806 5.918 2.222 1.00 0.00 H new ATOM 0 HB ILE A 76 4.727 6.710 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.759 8.253 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.291 8.993 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.305 7.849 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.378 6.073 5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.763 7.045 5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.273 9.985 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.285 9.137 5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.776 8.386 4.663 1.00 0.00 H new ATOM 1209 N ASN A 77 7.898 5.092 5.199 1.00 0.00 N ATOM 1210 CA ASN A 77 9.126 4.973 6.007 1.00 0.00 C ATOM 1211 C ASN A 77 10.207 4.048 5.400 1.00 0.00 C ATOM 1212 O ASN A 77 11.399 4.292 5.598 1.00 0.00 O ATOM 1213 CB ASN A 77 8.757 4.507 7.432 1.00 0.00 C ATOM 1214 CG ASN A 77 8.409 5.671 8.346 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.173 6.050 9.220 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.266 6.291 8.171 1.00 0.00 N ATOM 0 H ASN A 77 7.099 4.602 5.602 1.00 0.00 H new ATOM 0 HA ASN A 77 9.577 5.965 6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.910 3.822 7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.592 3.950 7.858 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.020 7.084 8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.623 5.980 7.443 1.00 0.00 H new ATOM 1223 N HIS A 78 9.809 2.999 4.669 1.00 0.00 N ATOM 1224 CA HIS A 78 10.698 1.906 4.210 1.00 0.00 C ATOM 1225 C HIS A 78 10.883 1.802 2.690 1.00 0.00 C ATOM 1226 O HIS A 78 11.889 1.261 2.231 1.00 0.00 O ATOM 1227 CB HIS A 78 10.179 0.564 4.742 1.00 0.00 C ATOM 1228 CG HIS A 78 10.351 0.386 6.233 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.539 0.086 6.875 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.371 0.476 7.186 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.290 0.001 8.198 1.00 0.00 C ATOM 1232 NE2 HIS A 78 9.979 0.241 8.410 1.00 0.00 N ATOM 0 H HIS A 78 8.841 2.877 4.370 1.00 0.00 H new ATOM 0 HA HIS A 78 11.681 2.152 4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.121 0.471 4.495 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.698 -0.244 4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.326 0.689 7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.020 -0.222 8.962 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.514 0.248 9.318 1.00 0.00 H new ATOM 1241 N LYS A 79 9.946 2.343 1.909 1.00 0.00 N ATOM 1242 CA LYS A 79 9.969 2.419 0.440 1.00 0.00 C ATOM 1243 C LYS A 79 9.639 3.842 -0.043 1.00 0.00 C ATOM 1244 O LYS A 79 8.760 4.011 -0.872 1.00 0.00 O ATOM 1245 CB LYS A 79 9.026 1.332 -0.139 1.00 0.00 C ATOM 1246 CG LYS A 79 9.645 -0.068 -0.258 1.00 0.00 C ATOM 1247 CD LYS A 79 10.562 -0.234 -1.483 1.00 0.00 C ATOM 1248 CE LYS A 79 11.924 0.462 -1.328 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.958 -0.110 -2.235 1.00 0.00 N ATOM 0 H LYS A 79 9.104 2.764 2.302 1.00 0.00 H new ATOM 0 HA LYS A 79 10.972 2.213 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.139 1.268 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.692 1.650 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.217 -0.281 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.845 -0.807 -0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.724 -1.297 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.057 0.166 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.811 1.526 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.260 0.372 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.858 0.391 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.087 -1.120 -2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.652 -0.001 -3.223 1.00 0.00 H new ATOM 1263 N PRO A 80 10.357 4.878 0.443 1.00 0.00 N ATOM 1264 CA PRO A 80 10.033 6.285 0.178 1.00 0.00 C ATOM 1265 C PRO A 80 10.038 6.643 -1.320 1.00 0.00 C ATOM 1266 O PRO A 80 9.138 7.325 -1.809 1.00 0.00 O ATOM 1267 CB PRO A 80 11.084 7.085 0.959 1.00 0.00 C ATOM 1268 CG PRO A 80 12.264 6.120 1.079 1.00 0.00 C ATOM 1269 CD PRO A 80 11.593 4.759 1.200 1.00 0.00 C ATOM 0 HA PRO A 80 9.016 6.514 0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.365 7.997 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.712 7.385 1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.916 6.171 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.880 6.344 1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.227 3.969 0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.395 4.508 2.242 1.00 0.00 H new ATOM 1277 N ASP A 81 11.024 6.134 -2.068 1.00 0.00 N ATOM 1278 CA ASP A 81 11.149 6.347 -3.520 1.00 0.00 C ATOM 1279 C ASP A 81 10.001 5.722 -4.341 1.00 0.00 C ATOM 1280 O ASP A 81 9.547 6.311 -5.324 1.00 0.00 O ATOM 1281 CB ASP A 81 12.503 5.786 -3.975 1.00 0.00 C ATOM 1282 CG ASP A 81 12.765 6.044 -5.469 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.101 7.197 -5.833 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.660 5.090 -6.276 1.00 0.00 O ATOM 0 H ASP A 81 11.768 5.555 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 81 11.086 7.419 -3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.299 6.239 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.534 4.714 -3.782 1.00 0.00 H new ATOM 1289 N VAL A 82 9.506 4.542 -3.942 1.00 0.00 N ATOM 1290 CA VAL A 82 8.357 3.880 -4.592 1.00 0.00 C ATOM 1291 C VAL A 82 7.023 4.440 -4.093 1.00 0.00 C ATOM 1292 O VAL A 82 6.107 4.649 -4.887 1.00 0.00 O ATOM 1293 CB VAL A 82 8.406 2.354 -4.405 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.197 1.691 -5.072 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.683 1.763 -5.016 1.00 0.00 C ATOM 0 H VAL A 82 9.890 4.015 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 82 8.431 4.094 -5.658 1.00 0.00 H new ATOM 0 HB VAL A 82 8.393 2.159 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.249 0.612 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.280 2.072 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.201 1.916 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.691 0.683 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.712 1.984 -6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.555 2.201 -4.531 1.00 0.00 H new ATOM 1305 N TRP A 83 6.919 4.762 -2.803 1.00 0.00 N ATOM 1306 CA TRP A 83 5.788 5.481 -2.217 1.00 0.00 C ATOM 1307 C TRP A 83 5.450 6.763 -2.991 1.00 0.00 C ATOM 1308 O TRP A 83 4.280 6.998 -3.279 1.00 0.00 O ATOM 1309 CB TRP A 83 6.098 5.793 -0.749 1.00 0.00 C ATOM 1310 CG TRP A 83 5.298 6.921 -0.189 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.753 8.178 -0.016 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.874 6.970 0.117 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.729 8.989 0.406 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.537 8.307 0.491 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.828 6.026 0.074 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.229 8.689 0.809 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.502 6.408 0.341 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.206 7.735 0.698 1.00 0.00 C ATOM 0 H TRP A 83 7.638 4.524 -2.120 1.00 0.00 H new ATOM 0 HA TRP A 83 4.907 4.843 -2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.916 4.900 -0.152 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.158 6.030 -0.654 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.770 8.499 -0.184 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.839 9.978 0.630 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.048 4.997 -0.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.012 9.696 1.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.708 5.679 0.272 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.183 8.023 0.888 1.00 0.00 H new ATOM 1329 N ALA A 84 6.453 7.541 -3.416 1.00 0.00 N ATOM 1330 CA ALA A 84 6.256 8.725 -4.257 1.00 0.00 C ATOM 1331 C ALA A 84 5.433 8.450 -5.536 1.00 0.00 C ATOM 1332 O ALA A 84 4.711 9.328 -6.001 1.00 0.00 O ATOM 1333 CB ALA A 84 7.628 9.320 -4.585 1.00 0.00 C ATOM 0 H ALA A 84 7.430 7.364 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 84 5.658 9.442 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.501 10.203 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.134 9.600 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.227 8.581 -5.117 1.00 0.00 H new ATOM 1339 N GLN A 85 5.489 7.231 -6.082 1.00 0.00 N ATOM 1340 CA GLN A 85 4.723 6.802 -7.263 1.00 0.00 C ATOM 1341 C GLN A 85 3.256 6.486 -6.923 1.00 0.00 C ATOM 1342 O GLN A 85 2.365 6.744 -7.736 1.00 0.00 O ATOM 1343 CB GLN A 85 5.409 5.587 -7.922 1.00 0.00 C ATOM 1344 CG GLN A 85 6.925 5.816 -8.040 1.00 0.00 C ATOM 1345 CD GLN A 85 7.629 4.909 -9.047 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.124 4.594 -10.115 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.835 4.467 -8.754 1.00 0.00 N ATOM 0 H GLN A 85 6.084 6.493 -5.706 1.00 0.00 H new ATOM 0 HA GLN A 85 4.709 7.632 -7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.217 4.691 -7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.984 5.415 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.101 6.854 -8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.379 5.669 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.270 4.721 -7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.334 3.871 -9.414 1.00 0.00 H new ATOM 1356 N LEU A 86 3.001 5.993 -5.705 1.00 0.00 N ATOM 1357 CA LEU A 86 1.650 5.841 -5.136 1.00 0.00 C ATOM 1358 C LEU A 86 1.009 7.222 -4.959 1.00 0.00 C ATOM 1359 O LEU A 86 0.050 7.549 -5.659 1.00 0.00 O ATOM 1360 CB LEU A 86 1.730 5.079 -3.785 1.00 0.00 C ATOM 1361 CG LEU A 86 0.438 4.522 -3.150 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.527 5.611 -2.680 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.301 3.557 -4.073 1.00 0.00 C ATOM 0 H LEU A 86 3.739 5.682 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 86 1.027 5.259 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.414 4.242 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.189 5.750 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 86 0.783 3.976 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.413 5.149 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.037 6.233 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.820 6.228 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.202 3.196 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.576 4.072 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.346 2.712 -4.310 1.00 0.00 H new ATOM 1375 N LYS A 87 1.581 8.069 -4.090 1.00 0.00 N ATOM 1376 CA LYS A 87 1.006 9.379 -3.728 1.00 0.00 C ATOM 1377 C LYS A 87 0.861 10.342 -4.907 1.00 0.00 C ATOM 1378 O LYS A 87 -0.032 11.174 -4.896 1.00 0.00 O ATOM 1379 CB LYS A 87 1.764 10.065 -2.579 1.00 0.00 C ATOM 1380 CG LYS A 87 3.288 10.030 -2.728 1.00 0.00 C ATOM 1381 CD LYS A 87 4.022 11.188 -2.052 1.00 0.00 C ATOM 1382 CE LYS A 87 3.994 12.435 -2.940 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.610 13.603 -2.258 1.00 0.00 N ATOM 0 H LYS A 87 2.460 7.866 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.000 9.139 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.440 11.104 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.490 9.585 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.659 9.092 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.536 10.031 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.557 11.409 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.054 10.903 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.526 12.233 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.964 12.670 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.575 14.431 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.087 13.810 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.600 13.387 -2.026 1.00 0.00 H new ATOM 1397 N ALA A 88 1.704 10.240 -5.930 1.00 0.00 N ATOM 1398 CA ALA A 88 1.628 11.106 -7.111 1.00 0.00 C ATOM 1399 C ALA A 88 0.347 10.859 -7.926 1.00 0.00 C ATOM 1400 O ALA A 88 -0.348 11.802 -8.311 1.00 0.00 O ATOM 1401 CB ALA A 88 2.870 10.883 -7.976 1.00 0.00 C ATOM 0 H ALA A 88 2.460 9.556 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 88 1.592 12.143 -6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.820 11.524 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.763 11.126 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.913 9.840 -8.289 1.00 0.00 H new ATOM 1407 N LYS A 89 0.022 9.581 -8.162 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.194 9.146 -8.865 1.00 0.00 C ATOM 1409 C LYS A 89 -2.442 9.200 -7.971 1.00 0.00 C ATOM 1410 O LYS A 89 -3.531 9.504 -8.457 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.915 7.745 -9.437 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.044 7.212 -10.335 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.541 6.187 -11.365 1.00 0.00 C ATOM 1414 CE LYS A 89 -0.790 5.002 -10.739 1.00 0.00 C ATOM 1415 NZ LYS A 89 -0.241 4.103 -11.787 1.00 0.00 N ATOM 0 H LYS A 89 0.610 8.803 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.426 9.832 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.012 7.773 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.758 7.049 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.812 6.751 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.514 8.046 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.391 5.808 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.883 6.690 -12.074 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.021 5.372 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.464 4.441 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.346 3.369 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.024 3.654 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.340 4.656 -12.449 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.281 8.935 -6.672 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.374 8.877 -5.689 1.00 0.00 C ATOM 1431 C TYR A 90 -3.700 10.240 -5.044 1.00 0.00 C ATOM 1432 O TYR A 90 -4.790 10.411 -4.492 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.032 7.827 -4.613 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.287 6.367 -4.982 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.214 5.887 -6.310 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.562 5.461 -3.942 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.417 4.522 -6.592 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.729 4.091 -4.217 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.677 3.617 -5.543 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.877 2.297 -5.810 1.00 0.00 O ATOM 0 H TYR A 90 -1.366 8.750 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.277 8.587 -6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.979 7.935 -4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.607 8.058 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.001 6.574 -7.116 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.645 5.819 -2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.373 4.169 -7.612 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.898 3.398 -3.406 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.374 1.886 -5.072 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.793 11.216 -5.117 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.934 12.549 -4.519 1.00 0.00 C ATOM 1452 C ASP A 91 -2.127 13.621 -5.296 1.00 0.00 C ATOM 1453 O ASP A 91 -1.067 14.070 -4.839 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.536 12.511 -3.033 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.945 13.812 -2.308 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.522 14.731 -2.932 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.642 13.928 -1.095 1.00 0.00 O ATOM 0 H ASP A 91 -1.908 11.098 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.983 12.838 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.011 11.658 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.459 12.367 -2.947 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.595 14.049 -6.486 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.863 14.962 -7.373 1.00 0.00 C ATOM 1464 C PRO A 92 -1.642 16.386 -6.816 1.00 0.00 C ATOM 1465 O PRO A 92 -0.910 17.169 -7.424 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.662 14.977 -8.682 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.084 14.663 -8.226 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.862 13.667 -7.093 1.00 0.00 C ATOM 0 HA PRO A 92 -0.843 14.601 -7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.603 15.945 -9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.292 14.234 -9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.606 15.557 -7.883 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.682 14.234 -9.030 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.674 13.710 -6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.825 12.645 -7.470 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.228 16.726 -5.661 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.040 18.003 -4.951 1.00 0.00 C ATOM 1478 C ASP A 93 -1.332 17.844 -3.585 1.00 0.00 C ATOM 1479 O ASP A 93 -0.965 18.840 -2.955 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.405 18.688 -4.785 1.00 0.00 C ATOM 1481 CG ASP A 93 -3.988 19.160 -6.126 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.505 20.182 -6.672 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -4.952 18.532 -6.633 1.00 0.00 O ATOM 0 H ASP A 93 -2.869 16.099 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.378 18.624 -5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.101 17.995 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.301 19.542 -4.116 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.111 16.607 -3.124 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.503 16.278 -1.825 1.00 0.00 C ATOM 1490 C GLY A 94 -1.365 16.602 -0.589 1.00 0.00 C ATOM 1491 O GLY A 94 -0.875 16.499 0.539 1.00 0.00 O ATOM 0 H GLY A 94 -1.359 15.777 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.267 15.214 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.441 16.815 -1.739 1.00 0.00 H new ATOM 1495 N THR A 95 -2.624 17.010 -0.782 1.00 0.00 N ATOM 1496 CA THR A 95 -3.522 17.588 0.236 1.00 0.00 C ATOM 1497 C THR A 95 -3.783 16.677 1.443 1.00 0.00 C ATOM 1498 O THR A 95 -3.995 17.181 2.549 1.00 0.00 O ATOM 1499 CB THR A 95 -4.863 17.986 -0.410 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.628 18.750 -1.577 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.746 18.851 0.496 1.00 0.00 C ATOM 0 H THR A 95 -3.071 16.945 -1.697 1.00 0.00 H new ATOM 0 HA THR A 95 -3.002 18.464 0.625 1.00 0.00 H new ATOM 0 HB THR A 95 -5.374 17.046 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.484 18.998 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.673 19.093 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.975 18.304 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.219 19.772 0.746 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.719 15.351 1.272 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.907 14.366 2.348 1.00 0.00 C ATOM 1511 C TYR A 96 -2.708 13.420 2.517 1.00 0.00 C ATOM 1512 O TYR A 96 -2.464 12.957 3.629 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.238 13.617 2.189 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.605 13.273 0.762 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.076 12.123 0.152 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.428 14.149 0.030 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.370 11.850 -1.195 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.712 13.882 -1.320 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.188 12.727 -1.940 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.462 12.474 -3.250 1.00 0.00 O ATOM 0 H TYR A 96 -3.532 14.923 0.365 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.960 14.925 3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.192 12.696 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.035 14.225 2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.446 11.451 0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.841 15.026 0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -4.968 10.964 -1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.333 14.562 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 96 -5.859 11.777 -3.582 1.00 0.00 H new ATOM 1530 N SER A 97 -1.896 13.212 1.479 1.00 0.00 N ATOM 1531 CA SER A 97 -0.615 12.489 1.531 1.00 0.00 C ATOM 1532 C SER A 97 0.343 13.088 2.570 1.00 0.00 C ATOM 1533 O SER A 97 0.939 12.371 3.383 1.00 0.00 O ATOM 1534 CB SER A 97 0.012 12.527 0.131 1.00 0.00 C ATOM 1535 OG SER A 97 1.336 12.026 0.124 1.00 0.00 O ATOM 0 H SER A 97 -2.116 13.553 0.543 1.00 0.00 H new ATOM 0 HA SER A 97 -0.799 11.460 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.600 11.941 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.012 13.553 -0.238 1.00 0.00 H new ATOM 0 HG SER A 97 1.924 12.662 -0.335 1.00 0.00 H new ATOM 1541 N LYS A 98 0.472 14.422 2.586 1.00 0.00 N ATOM 1542 CA LYS A 98 1.396 15.150 3.472 1.00 0.00 C ATOM 1543 C LYS A 98 1.134 14.943 4.969 1.00 0.00 C ATOM 1544 O LYS A 98 2.072 15.046 5.757 1.00 0.00 O ATOM 1545 CB LYS A 98 1.422 16.640 3.096 1.00 0.00 C ATOM 1546 CG LYS A 98 2.208 16.851 1.787 1.00 0.00 C ATOM 1547 CD LYS A 98 2.298 18.324 1.365 1.00 0.00 C ATOM 1548 CE LYS A 98 3.160 19.140 2.340 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.336 20.540 1.873 1.00 0.00 N ATOM 0 H LYS A 98 -0.069 15.035 1.976 1.00 0.00 H new ATOM 0 HA LYS A 98 2.384 14.720 3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.403 17.010 2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.880 17.216 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.215 16.452 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.733 16.280 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.720 18.391 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.296 18.752 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.695 19.140 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.136 18.666 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.923 21.062 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.802 20.540 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.406 20.999 1.794 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.091 14.572 5.369 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.478 14.298 6.771 1.00 0.00 C ATOM 1565 C LYS A 99 0.393 13.230 7.458 1.00 0.00 C ATOM 1566 O LYS A 99 0.521 13.245 8.684 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.969 13.900 6.835 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.977 14.924 6.269 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.455 16.000 7.258 1.00 0.00 C ATOM 1570 CE LYS A 99 -2.321 16.883 7.789 1.00 0.00 C ATOM 1571 NZ LYS A 99 -2.843 18.019 8.594 1.00 0.00 N ATOM 0 H LYS A 99 -0.863 14.450 4.714 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.311 15.222 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.096 12.961 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.227 13.706 7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.522 15.420 5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.848 14.383 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.197 16.630 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.953 15.516 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.647 16.283 8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.736 17.267 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.048 18.595 8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.466 18.606 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.380 17.652 9.405 1.00 0.00 H new ATOM 1585 N TYR A 100 1.016 12.339 6.682 1.00 0.00 N ATOM 1586 CA TYR A 100 1.900 11.266 7.165 1.00 0.00 C ATOM 1587 C TYR A 100 3.204 11.112 6.353 1.00 0.00 C ATOM 1588 O TYR A 100 4.177 10.587 6.888 1.00 0.00 O ATOM 1589 CB TYR A 100 1.111 9.950 7.277 1.00 0.00 C ATOM 1590 CG TYR A 100 0.177 9.729 6.112 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -1.127 10.260 6.156 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.655 9.127 4.938 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.935 10.238 5.008 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -0.147 9.119 3.790 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.442 9.680 3.810 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.228 9.624 2.701 1.00 0.00 O ATOM 0 H TYR A 100 0.918 12.342 5.667 1.00 0.00 H new ATOM 0 HA TYR A 100 2.242 11.554 8.159 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.810 9.116 7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.536 9.954 8.203 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.506 10.685 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.635 8.673 4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.934 10.648 5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.230 8.678 2.879 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.728 9.210 1.967 1.00 0.00 H new ATOM 1606 N GLU A 101 3.297 11.624 5.120 1.00 0.00 N ATOM 1607 CA GLU A 101 4.589 11.824 4.428 1.00 0.00 C ATOM 1608 C GLU A 101 5.527 12.782 5.199 1.00 0.00 C ATOM 1609 O GLU A 101 6.733 12.534 5.291 1.00 0.00 O ATOM 1610 CB GLU A 101 4.311 12.298 2.989 1.00 0.00 C ATOM 1611 CG GLU A 101 5.470 12.935 2.205 1.00 0.00 C ATOM 1612 CD GLU A 101 6.497 11.945 1.647 1.00 0.00 C ATOM 1613 OE1 GLU A 101 6.179 11.329 0.602 1.00 0.00 O ATOM 1614 OE2 GLU A 101 7.625 11.849 2.177 1.00 0.00 O ATOM 0 H GLU A 101 2.487 11.912 4.571 1.00 0.00 H new ATOM 0 HA GLU A 101 5.125 10.876 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.952 11.442 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.496 13.020 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.056 13.510 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.985 13.640 2.857 1.00 0.00 H new ATOM 1621 N ASP A 102 4.984 13.835 5.825 1.00 0.00 N ATOM 1622 CA ASP A 102 5.752 14.855 6.568 1.00 0.00 C ATOM 1623 C ASP A 102 6.561 14.278 7.746 1.00 0.00 C ATOM 1624 O ASP A 102 7.533 14.893 8.195 1.00 0.00 O ATOM 1625 CB ASP A 102 4.835 15.991 7.062 1.00 0.00 C ATOM 1626 CG ASP A 102 4.407 17.006 5.980 1.00 0.00 C ATOM 1627 OD1 ASP A 102 4.762 16.857 4.786 1.00 0.00 O ATOM 1628 OD2 ASP A 102 3.745 18.008 6.346 1.00 0.00 O ATOM 0 H ASP A 102 3.979 14.009 5.832 1.00 0.00 H new ATOM 0 HA ASP A 102 6.474 15.256 5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.939 15.550 7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.347 16.529 7.860 1.00 0.00 H new ATOM 1633 N ARG A 103 6.170 13.097 8.246 1.00 0.00 N ATOM 1634 CA ARG A 103 6.856 12.345 9.310 1.00 0.00 C ATOM 1635 C ARG A 103 8.302 11.969 8.965 1.00 0.00 C ATOM 1636 O ARG A 103 9.112 11.823 9.879 1.00 0.00 O ATOM 1637 CB ARG A 103 6.062 11.065 9.627 1.00 0.00 C ATOM 1638 CG ARG A 103 4.602 11.286 10.051 1.00 0.00 C ATOM 1639 CD ARG A 103 4.436 12.100 11.341 1.00 0.00 C ATOM 1640 NE ARG A 103 3.017 12.435 11.582 1.00 0.00 N ATOM 1641 CZ ARG A 103 2.532 13.126 12.599 1.00 0.00 C ATOM 1642 NH1 ARG A 103 3.288 13.560 13.569 1.00 0.00 N ATOM 1643 NH2 ARG A 103 1.260 13.399 12.658 1.00 0.00 N ATOM 0 H ARG A 103 5.334 12.620 7.908 1.00 0.00 H new ATOM 0 HA ARG A 103 6.901 13.006 10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.074 10.422 8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.576 10.526 10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.074 11.794 9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.123 10.316 10.183 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.827 11.532 12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.023 13.016 11.274 1.00 0.00 H new ATOM 0 HE ARG A 103 2.344 12.099 10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.290 13.369 13.559 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.877 14.090 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.635 13.079 11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.889 13.932 13.444 1.00 0.00 H new ATOM 1657 N GLU A 104 8.631 11.837 7.677 1.00 0.00 N ATOM 1658 CA GLU A 104 9.958 11.420 7.201 1.00 0.00 C ATOM 1659 C GLU A 104 10.577 12.431 6.227 1.00 0.00 C ATOM 1660 O GLU A 104 11.686 12.906 6.486 1.00 0.00 O ATOM 1661 CB GLU A 104 9.865 10.050 6.516 1.00 0.00 C ATOM 1662 CG GLU A 104 9.630 8.895 7.494 1.00 0.00 C ATOM 1663 CD GLU A 104 10.903 8.582 8.311 1.00 0.00 C ATOM 1664 OE1 GLU A 104 11.822 7.921 7.768 1.00 0.00 O ATOM 1665 OE2 GLU A 104 11.013 9.018 9.482 1.00 0.00 O ATOM 0 H GLU A 104 7.972 12.020 6.920 1.00 0.00 H new ATOM 0 HA GLU A 104 10.605 11.362 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.054 10.070 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.786 9.866 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.814 9.149 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.322 8.007 6.943 1.00 0.00 H new ATOM 1672 N LYS A 105 9.873 12.777 5.133 1.00 0.00 N ATOM 1673 CA LYS A 105 10.352 13.684 4.060 1.00 0.00 C ATOM 1674 C LYS A 105 11.817 13.450 3.616 1.00 0.00 C ATOM 1675 O LYS A 105 12.550 14.390 3.309 1.00 0.00 O ATOM 1676 CB LYS A 105 10.046 15.148 4.463 1.00 0.00 C ATOM 1677 CG LYS A 105 8.672 15.605 3.953 1.00 0.00 C ATOM 1678 CD LYS A 105 8.290 17.009 4.451 1.00 0.00 C ATOM 1679 CE LYS A 105 9.290 18.090 4.011 1.00 0.00 C ATOM 1680 NZ LYS A 105 8.872 19.442 4.465 1.00 0.00 N ATOM 0 H LYS A 105 8.930 12.427 4.962 1.00 0.00 H new ATOM 0 HA LYS A 105 9.797 13.446 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.080 15.241 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.819 15.804 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.673 15.599 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.914 14.891 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.298 17.264 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.228 16.999 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.276 17.859 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.380 18.082 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.570 20.145 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.942 19.672 4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.811 19.456 5.503 1.00 0.00 H new ATOM 1694 N GLU A 106 12.271 12.193 3.588 1.00 0.00 N ATOM 1695 CA GLU A 106 13.678 11.846 3.291 1.00 0.00 C ATOM 1696 C GLU A 106 14.107 12.106 1.828 1.00 0.00 C ATOM 1697 O GLU A 106 15.305 12.156 1.525 1.00 0.00 O ATOM 1698 CB GLU A 106 13.974 10.405 3.748 1.00 0.00 C ATOM 1699 CG GLU A 106 13.410 9.284 2.859 1.00 0.00 C ATOM 1700 CD GLU A 106 14.385 8.872 1.734 1.00 0.00 C ATOM 1701 OE1 GLU A 106 15.441 8.265 2.037 1.00 0.00 O ATOM 1702 OE2 GLU A 106 14.087 9.124 0.543 1.00 0.00 O ATOM 0 H GLU A 106 11.679 11.382 3.770 1.00 0.00 H new ATOM 0 HA GLU A 106 14.298 12.532 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.055 10.281 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.578 10.276 4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.185 8.414 3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.470 9.614 2.417 1.00 0.00 H new ATOM 1709 N LEU A 107 13.138 12.302 0.923 1.00 0.00 N ATOM 1710 CA LEU A 107 13.374 12.662 -0.476 1.00 0.00 C ATOM 1711 C LEU A 107 14.052 14.042 -0.601 1.00 0.00 C ATOM 1712 O LEU A 107 13.825 14.952 0.201 1.00 0.00 O ATOM 1713 CB LEU A 107 12.060 12.631 -1.284 1.00 0.00 C ATOM 1714 CG LEU A 107 11.477 11.221 -1.526 1.00 0.00 C ATOM 1715 CD1 LEU A 107 10.628 10.712 -0.357 1.00 0.00 C ATOM 1716 CD2 LEU A 107 10.579 11.237 -2.763 1.00 0.00 C ATOM 0 H LEU A 107 12.148 12.212 1.151 1.00 0.00 H new ATOM 0 HA LEU A 107 14.053 11.918 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.315 13.231 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.233 13.107 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 107 12.334 10.559 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 107 10.248 9.717 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 107 11.240 10.665 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.791 11.391 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.171 10.240 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 107 9.763 11.943 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.163 11.539 -3.632 1.00 0.00 H new ATOM 1728 N HIS A 108 14.868 14.195 -1.646 1.00 0.00 N ATOM 1729 CA HIS A 108 15.744 15.357 -1.888 1.00 0.00 C ATOM 1730 C HIS A 108 15.809 15.739 -3.384 1.00 0.00 C ATOM 1731 O HIS A 108 16.829 16.230 -3.876 1.00 0.00 O ATOM 1732 CB HIS A 108 17.116 15.072 -1.240 1.00 0.00 C ATOM 1733 CG HIS A 108 17.698 13.721 -1.586 1.00 0.00 C ATOM 1734 ND1 HIS A 108 17.565 12.562 -0.836 1.00 0.00 N ATOM 1735 CD2 HIS A 108 18.425 13.416 -2.704 1.00 0.00 C ATOM 1736 CE1 HIS A 108 18.203 11.570 -1.491 1.00 0.00 C ATOM 1737 NE2 HIS A 108 18.733 12.069 -2.629 1.00 0.00 N ATOM 0 H HIS A 108 14.944 13.489 -2.378 1.00 0.00 H new ATOM 0 HA HIS A 108 15.330 16.248 -1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 108 17.818 15.847 -1.548 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.016 15.145 -0.157 1.00 0.00 H new ATOM 0 HD1 HIS A 108 17.072 12.475 0.053 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.705 14.097 -3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 108 18.278 10.545 -1.160 1.00 0.00 H new ATOM 1746 N GLN A 109 14.714 15.467 -4.108 1.00 0.00 N ATOM 1747 CA GLN A 109 14.498 15.791 -5.530 1.00 0.00 C ATOM 1748 C GLN A 109 14.583 17.304 -5.816 1.00 0.00 C ATOM 1749 O GLN A 109 15.183 17.677 -6.850 1.00 0.00 O ATOM 1750 CB GLN A 109 13.138 15.223 -5.986 1.00 0.00 C ATOM 1751 CG GLN A 109 13.006 13.693 -5.857 1.00 0.00 C ATOM 1752 CD GLN A 109 14.024 12.925 -6.707 1.00 0.00 C ATOM 1753 OE1 GLN A 109 15.055 12.460 -6.234 1.00 0.00 O ATOM 1754 NE2 GLN A 109 13.786 12.760 -7.994 1.00 0.00 N ATOM 1755 OXT GLN A 109 14.040 18.107 -5.022 1.00 0.00 O ATOM 0 H GLN A 109 13.911 14.990 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 109 15.302 15.326 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 109 12.348 15.693 -5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.973 15.502 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.129 13.411 -4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 109 11.999 13.396 -6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.934 13.139 -8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.454 12.254 -8.575 1.00 0.00 H new TER 1764 GLN A 109