USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 804 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 69 LYS NZ :NH3+ -165:sc= 0.784 (180deg=0.699) USER MOD Set 1.2: A 96 TYR OH : rot 97:sc= -0.494! USER MOD Single : A 0 SER OG : rot 152:sc= 0.33 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc=-0.000127 (180deg=-0.154) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -1.86! (180deg=-3.49!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.597 K(o=-0.6,f=-5.1!) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.118) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0.659 (180deg=0.657) USER MOD Single : A 30 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc=-0.000314 (180deg=-0.0453) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc=-0.00067 (180deg=-0.0617) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 110:sc= -0.141 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -1.81! (180deg=-3.19!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= 1.09 (180deg=-0.913!) USER MOD Single : A 49 THR OG1 : rot 100:sc= -0.233 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0688 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0778 (180deg=-0.361) USER MOD Single : A 56 TYR OH : rot 53:sc= 1.08 USER MOD Single : A 57 TYR OH : rot 128:sc= 0.765 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.489) USER MOD Single : A 71 LYS NZ :NH3+ -127:sc= -1.5! (180deg=-3.81!) USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= 1.26 (180deg=1.07) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -123:sc= -1.21 (180deg=-2.33) USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0527) USER MOD Single : A 88 LYS NZ :NH3+ -144:sc= -1.58 (180deg=-3.71!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 8.242 6.985 6.402 1.00 0.00 N ATOM 2 CA GLY A -1 7.514 5.856 5.778 1.00 0.00 C ATOM 3 C GLY A -1 8.325 4.575 5.745 1.00 0.00 C ATOM 4 O GLY A -1 8.235 3.757 6.660 1.00 0.00 O ATOM 0 H1 GLY A -1 7.639 7.832 6.396 1.00 0.00 H new ATOM 0 H2 GLY A -1 8.487 6.741 7.383 1.00 0.00 H new ATOM 0 H3 GLY A -1 9.112 7.176 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A -1 6.589 5.680 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A -1 7.234 6.129 4.760 1.00 0.00 H new ATOM 10 N SER A 0 9.114 4.394 4.691 1.00 0.00 N ATOM 11 CA SER A 0 9.849 3.154 4.498 1.00 0.00 C ATOM 12 C SER A 0 11.124 3.167 5.332 1.00 0.00 C ATOM 13 O SER A 0 11.867 4.151 5.333 1.00 0.00 O ATOM 14 CB SER A 0 10.175 2.944 3.013 1.00 0.00 C ATOM 15 OG SER A 0 10.502 1.593 2.748 1.00 0.00 O ATOM 0 H SER A 0 9.259 5.090 3.960 1.00 0.00 H new ATOM 0 HA SER A 0 9.225 2.323 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.320 3.240 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 0 11.008 3.586 2.726 1.00 0.00 H new ATOM 0 HG SER A 0 10.265 1.375 1.823 1.00 0.00 H new ATOM 21 N LEU A 1 11.356 2.081 6.057 1.00 0.00 N ATOM 22 CA LEU A 1 12.493 1.984 6.964 1.00 0.00 C ATOM 23 C LEU A 1 13.210 0.660 6.784 1.00 0.00 C ATOM 24 O LEU A 1 14.048 0.284 7.603 1.00 0.00 O ATOM 25 CB LEU A 1 12.015 2.066 8.416 1.00 0.00 C ATOM 26 CG LEU A 1 11.171 3.292 8.764 1.00 0.00 C ATOM 27 CD1 LEU A 1 10.552 3.141 10.144 1.00 0.00 C ATOM 28 CD2 LEU A 1 12.014 4.555 8.685 1.00 0.00 C ATOM 0 H LEU A 1 10.767 1.248 6.034 1.00 0.00 H new ATOM 0 HA LEU A 1 13.170 2.807 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.434 1.171 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.888 2.051 9.069 1.00 0.00 H new ATOM 0 HG LEU A 1 10.362 3.374 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.955 4.024 10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.915 2.257 10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.342 3.034 10.887 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.399 5.419 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.843 4.484 9.389 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.405 4.669 7.674 1.00 0.00 H new ATOM 40 N ILE A 2 12.892 -0.045 5.717 1.00 0.00 N ATOM 41 CA ILE A 2 13.295 -1.430 5.612 1.00 0.00 C ATOM 42 C ILE A 2 14.279 -1.657 4.451 1.00 0.00 C ATOM 43 O ILE A 2 13.980 -1.362 3.298 1.00 0.00 O ATOM 44 CB ILE A 2 12.030 -2.331 5.518 1.00 0.00 C ATOM 45 CG1 ILE A 2 12.350 -3.754 5.961 1.00 0.00 C ATOM 46 CG2 ILE A 2 11.384 -2.310 4.140 1.00 0.00 C ATOM 47 CD1 ILE A 2 12.703 -3.837 7.431 1.00 0.00 C ATOM 0 H ILE A 2 12.363 0.313 4.922 1.00 0.00 H new ATOM 0 HA ILE A 2 13.843 -1.710 6.512 1.00 0.00 H new ATOM 0 HB ILE A 2 11.292 -1.911 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.492 -4.396 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.181 -4.138 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.507 -2.958 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.083 -1.292 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.099 -2.666 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.922 -4.872 7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.578 -3.219 7.631 1.00 0.00 H new ATOM 0 HD13 ILE A 2 11.863 -3.481 8.028 1.00 0.00 H new ATOM 59 N LEU A 3 15.471 -2.160 4.794 1.00 0.00 N ATOM 60 CA LEU A 3 16.556 -2.405 3.828 1.00 0.00 C ATOM 61 C LEU A 3 17.093 -1.108 3.234 1.00 0.00 C ATOM 62 O LEU A 3 17.135 -0.946 2.016 1.00 0.00 O ATOM 63 CB LEU A 3 16.122 -3.366 2.707 1.00 0.00 C ATOM 64 CG LEU A 3 15.948 -4.835 3.119 1.00 0.00 C ATOM 65 CD1 LEU A 3 17.049 -5.246 4.084 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.586 -5.074 3.748 1.00 0.00 C ATOM 0 H LEU A 3 15.714 -2.410 5.752 1.00 0.00 H new ATOM 0 HA LEU A 3 17.362 -2.880 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.179 -3.010 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.860 -3.317 1.906 1.00 0.00 H new ATOM 0 HG LEU A 3 16.016 -5.445 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.913 -6.290 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.019 -5.124 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.005 -4.619 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.494 -6.123 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.481 -4.450 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.805 -4.820 3.032 1.00 0.00 H new ATOM 78 N ASP A 4 17.558 -0.218 4.112 1.00 0.00 N ATOM 79 CA ASP A 4 18.076 1.093 3.706 1.00 0.00 C ATOM 80 C ASP A 4 19.271 0.964 2.766 1.00 0.00 C ATOM 81 O ASP A 4 19.531 1.849 1.949 1.00 0.00 O ATOM 82 CB ASP A 4 18.497 1.921 4.928 1.00 0.00 C ATOM 83 CG ASP A 4 19.774 1.415 5.576 1.00 0.00 C ATOM 84 OD1 ASP A 4 20.869 1.900 5.212 1.00 0.00 O ATOM 85 OD2 ASP A 4 19.689 0.524 6.449 1.00 0.00 O ATOM 0 H ASP A 4 17.587 -0.382 5.118 1.00 0.00 H new ATOM 0 HA ASP A 4 17.266 1.598 3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 4 18.636 2.959 4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 4 17.693 1.908 5.664 1.00 0.00 H new ATOM 90 N GLY A 5 19.996 -0.135 2.882 1.00 0.00 N ATOM 91 CA GLY A 5 21.212 -0.301 2.119 1.00 0.00 C ATOM 92 C GLY A 5 21.008 -1.064 0.831 1.00 0.00 C ATOM 93 O GLY A 5 21.973 -1.580 0.265 1.00 0.00 O ATOM 0 H GLY A 5 19.763 -0.918 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.626 0.681 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 5 21.948 -0.823 2.730 1.00 0.00 H new ATOM 97 N ASP A 6 19.762 -1.129 0.358 1.00 0.00 N ATOM 98 CA ASP A 6 19.440 -1.891 -0.852 1.00 0.00 C ATOM 99 C ASP A 6 19.775 -3.364 -0.651 1.00 0.00 C ATOM 100 O ASP A 6 20.790 -3.871 -1.134 1.00 0.00 O ATOM 101 CB ASP A 6 20.165 -1.335 -2.091 1.00 0.00 C ATOM 102 CG ASP A 6 19.855 -2.109 -3.365 1.00 0.00 C ATOM 103 OD1 ASP A 6 20.699 -2.924 -3.797 1.00 0.00 O ATOM 104 OD2 ASP A 6 18.772 -1.901 -3.952 1.00 0.00 O ATOM 0 H ASP A 6 18.963 -0.666 0.791 1.00 0.00 H new ATOM 0 HA ASP A 6 18.370 -1.790 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.884 -0.291 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 6 21.240 -1.355 -1.914 1.00 0.00 H new ATOM 109 N LEU A 7 18.932 -4.034 0.111 1.00 0.00 N ATOM 110 CA LEU A 7 19.103 -5.446 0.389 1.00 0.00 C ATOM 111 C LEU A 7 17.790 -6.166 0.141 1.00 0.00 C ATOM 112 O LEU A 7 16.726 -5.544 0.145 1.00 0.00 O ATOM 113 CB LEU A 7 19.545 -5.663 1.841 1.00 0.00 C ATOM 114 CG LEU A 7 20.840 -4.963 2.259 1.00 0.00 C ATOM 115 CD1 LEU A 7 21.051 -5.094 3.759 1.00 0.00 C ATOM 116 CD2 LEU A 7 22.028 -5.539 1.508 1.00 0.00 C ATOM 0 H LEU A 7 18.113 -3.617 0.553 1.00 0.00 H new ATOM 0 HA LEU A 7 19.875 -5.844 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.744 -5.325 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.664 -6.734 2.008 1.00 0.00 H new ATOM 0 HG LEU A 7 20.754 -3.906 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 7 21.976 -4.591 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.214 -4.636 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.115 -6.149 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 7 22.938 -5.027 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.116 -6.603 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.883 -5.401 0.437 1.00 0.00 H new ATOM 128 N LEU A 8 17.858 -7.462 -0.092 1.00 0.00 N ATOM 129 CA LEU A 8 16.653 -8.252 -0.254 1.00 0.00 C ATOM 130 C LEU A 8 16.465 -9.182 0.930 1.00 0.00 C ATOM 131 O LEU A 8 15.376 -9.240 1.496 1.00 0.00 O ATOM 132 CB LEU A 8 16.667 -9.054 -1.561 1.00 0.00 C ATOM 133 CG LEU A 8 16.388 -8.245 -2.833 1.00 0.00 C ATOM 134 CD1 LEU A 8 17.607 -7.434 -3.243 1.00 0.00 C ATOM 135 CD2 LEU A 8 15.974 -9.171 -3.963 1.00 0.00 C ATOM 0 H LEU A 8 18.728 -7.988 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 8 15.813 -7.559 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.640 -9.534 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.926 -9.850 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 8 15.573 -7.553 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 8 17.381 -6.870 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.871 -6.744 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.444 -8.106 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.779 -8.585 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.775 -9.883 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.071 -9.711 -3.679 1.00 0.00 H new ATOM 147 N LYS A 9 17.542 -9.880 1.309 1.00 0.00 N ATOM 148 CA LYS A 9 17.505 -10.878 2.381 1.00 0.00 C ATOM 149 C LYS A 9 16.602 -12.044 1.991 1.00 0.00 C ATOM 150 O LYS A 9 17.075 -13.108 1.586 1.00 0.00 O ATOM 151 CB LYS A 9 17.026 -10.264 3.704 1.00 0.00 C ATOM 152 CG LYS A 9 17.979 -9.238 4.292 1.00 0.00 C ATOM 153 CD LYS A 9 17.412 -8.624 5.564 1.00 0.00 C ATOM 154 CE LYS A 9 18.453 -7.801 6.304 1.00 0.00 C ATOM 155 NZ LYS A 9 19.509 -8.654 6.909 1.00 0.00 N ATOM 0 H LYS A 9 18.461 -9.768 0.881 1.00 0.00 H new ATOM 0 HA LYS A 9 18.521 -11.244 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.056 -9.793 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.876 -11.063 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.937 -9.710 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.169 -8.453 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.559 -7.993 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.043 -9.415 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.911 -7.091 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.966 -7.218 7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.047 -8.099 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.068 -9.469 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.152 -8.992 6.164 1.00 0.00 H new ATOM 169 N ASP A 10 15.306 -11.823 2.098 1.00 0.00 N ATOM 170 CA ASP A 10 14.310 -12.797 1.701 1.00 0.00 C ATOM 171 C ASP A 10 13.282 -12.107 0.820 1.00 0.00 C ATOM 172 O ASP A 10 12.572 -11.213 1.275 1.00 0.00 O ATOM 173 CB ASP A 10 13.646 -13.408 2.935 1.00 0.00 C ATOM 174 CG ASP A 10 12.702 -14.538 2.592 1.00 0.00 C ATOM 175 OD1 ASP A 10 11.554 -14.525 3.076 1.00 0.00 O ATOM 176 OD2 ASP A 10 13.119 -15.459 1.853 1.00 0.00 O ATOM 0 H ASP A 10 14.913 -10.956 2.465 1.00 0.00 H new ATOM 0 HA ASP A 10 14.781 -13.606 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.417 -13.777 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.098 -12.632 3.469 1.00 0.00 H new ATOM 181 N LYS A 11 13.232 -12.499 -0.448 1.00 0.00 N ATOM 182 CA LYS A 11 12.413 -11.802 -1.436 1.00 0.00 C ATOM 183 C LYS A 11 10.926 -11.921 -1.122 1.00 0.00 C ATOM 184 O LYS A 11 10.197 -10.937 -1.166 1.00 0.00 O ATOM 185 CB LYS A 11 12.674 -12.357 -2.834 1.00 0.00 C ATOM 186 CG LYS A 11 11.960 -11.581 -3.928 1.00 0.00 C ATOM 187 CD LYS A 11 11.774 -12.406 -5.192 1.00 0.00 C ATOM 188 CE LYS A 11 10.612 -13.388 -5.072 1.00 0.00 C ATOM 189 NZ LYS A 11 10.925 -14.548 -4.197 1.00 0.00 N ATOM 0 H LYS A 11 13.749 -13.297 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 11 12.692 -10.749 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.746 -12.344 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.356 -13.399 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.986 -11.255 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.529 -10.682 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.599 -11.740 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.691 -12.955 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.741 -12.866 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.344 -13.750 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.352 -15.366 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.934 -14.784 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.708 -14.306 -3.209 1.00 0.00 H new ATOM 203 N LEU A 12 10.485 -13.134 -0.835 1.00 0.00 N ATOM 204 CA LEU A 12 9.086 -13.394 -0.545 1.00 0.00 C ATOM 205 C LEU A 12 8.991 -14.512 0.484 1.00 0.00 C ATOM 206 O LEU A 12 9.427 -15.637 0.232 1.00 0.00 O ATOM 207 CB LEU A 12 8.344 -13.769 -1.838 1.00 0.00 C ATOM 208 CG LEU A 12 6.815 -13.633 -1.798 1.00 0.00 C ATOM 209 CD1 LEU A 12 6.259 -13.587 -3.211 1.00 0.00 C ATOM 210 CD2 LEU A 12 6.178 -14.782 -1.028 1.00 0.00 C ATOM 0 H LEU A 12 11.082 -13.960 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 12 8.617 -12.499 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.724 -13.144 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.591 -14.800 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 12 6.573 -12.703 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.174 -13.490 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.681 -12.732 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.523 -14.505 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.095 -14.657 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.430 -15.727 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.553 -14.786 -0.004 1.00 0.00 H new ATOM 222 N LYS A 13 8.435 -14.196 1.642 1.00 0.00 N ATOM 223 CA LYS A 13 8.367 -15.154 2.734 1.00 0.00 C ATOM 224 C LYS A 13 7.111 -16.001 2.658 1.00 0.00 C ATOM 225 O LYS A 13 7.146 -17.167 2.268 1.00 0.00 O ATOM 226 CB LYS A 13 8.434 -14.429 4.081 1.00 0.00 C ATOM 227 CG LYS A 13 8.473 -15.369 5.274 1.00 0.00 C ATOM 228 CD LYS A 13 8.625 -14.606 6.578 1.00 0.00 C ATOM 229 CE LYS A 13 8.708 -15.550 7.765 1.00 0.00 C ATOM 230 NZ LYS A 13 8.886 -14.813 9.041 1.00 0.00 N ATOM 0 H LYS A 13 8.025 -13.286 1.850 1.00 0.00 H new ATOM 0 HA LYS A 13 9.224 -15.821 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.320 -13.794 4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.569 -13.772 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.558 -15.961 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.302 -16.068 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.523 -13.989 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.779 -13.930 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.800 -16.152 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.540 -16.240 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.938 -15.490 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.765 -14.259 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.079 -14.173 9.188 1.00 0.00 H new ATOM 244 N LEU A 14 6.012 -15.397 3.035 1.00 0.00 N ATOM 245 CA LEU A 14 4.745 -16.083 3.127 1.00 0.00 C ATOM 246 C LEU A 14 3.810 -15.690 1.996 1.00 0.00 C ATOM 247 O LEU A 14 3.857 -14.561 1.505 1.00 0.00 O ATOM 248 CB LEU A 14 4.084 -15.742 4.455 1.00 0.00 C ATOM 249 CG LEU A 14 4.841 -16.187 5.705 1.00 0.00 C ATOM 250 CD1 LEU A 14 4.171 -15.634 6.952 1.00 0.00 C ATOM 251 CD2 LEU A 14 4.925 -17.701 5.768 1.00 0.00 C ATOM 0 H LEU A 14 5.970 -14.410 3.288 1.00 0.00 H new ATOM 0 HA LEU A 14 4.937 -17.153 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.943 -14.662 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.092 -16.194 4.473 1.00 0.00 H new ATOM 0 HG LEU A 14 5.856 -15.793 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.721 -15.959 7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.165 -14.545 6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.146 -16.001 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.468 -17.998 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.919 -18.120 5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.448 -18.073 4.887 1.00 0.00 H new ATOM 263 N PRO A 15 2.948 -16.622 1.572 1.00 0.00 N ATOM 264 CA PRO A 15 1.869 -16.324 0.640 1.00 0.00 C ATOM 265 C PRO A 15 0.799 -15.489 1.329 1.00 0.00 C ATOM 266 O PRO A 15 0.211 -15.927 2.322 1.00 0.00 O ATOM 267 CB PRO A 15 1.336 -17.698 0.239 1.00 0.00 C ATOM 268 CG PRO A 15 1.712 -18.604 1.354 1.00 0.00 C ATOM 269 CD PRO A 15 2.959 -18.038 1.976 1.00 0.00 C ATOM 0 HA PRO A 15 2.193 -15.745 -0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.255 -17.675 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.773 -18.030 -0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.909 -18.667 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.888 -19.615 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.947 -18.144 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.852 -18.549 1.616 1.00 0.00 H new ATOM 277 N VAL A 16 0.566 -14.297 0.782 1.00 0.00 N ATOM 278 CA VAL A 16 -0.231 -13.243 1.418 1.00 0.00 C ATOM 279 C VAL A 16 0.036 -13.125 2.918 1.00 0.00 C ATOM 280 O VAL A 16 -0.534 -13.828 3.761 1.00 0.00 O ATOM 281 CB VAL A 16 -1.749 -13.316 1.107 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.341 -14.683 1.395 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.504 -12.233 1.867 1.00 0.00 C ATOM 0 H VAL A 16 0.931 -14.029 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 16 0.118 -12.321 0.953 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.861 -13.144 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.405 -14.676 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.839 -15.433 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.205 -14.924 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.567 -12.300 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.356 -12.370 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.130 -11.253 1.571 1.00 0.00 H new ATOM 293 N ILE A 17 0.928 -12.205 3.213 1.00 0.00 N ATOM 294 CA ILE A 17 1.326 -11.877 4.569 1.00 0.00 C ATOM 295 C ILE A 17 0.130 -11.282 5.312 1.00 0.00 C ATOM 296 O ILE A 17 -0.838 -10.849 4.679 1.00 0.00 O ATOM 297 CB ILE A 17 2.504 -10.871 4.536 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.587 -11.361 3.570 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.103 -10.673 5.913 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.760 -10.412 3.431 1.00 0.00 C ATOM 0 H ILE A 17 1.408 -11.651 2.504 1.00 0.00 H new ATOM 0 HA ILE A 17 1.654 -12.777 5.089 1.00 0.00 H new ATOM 0 HB ILE A 17 2.113 -9.913 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.954 -12.329 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.140 -11.518 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.926 -9.961 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.340 -10.289 6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.474 -11.626 6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.484 -10.829 2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.408 -9.450 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.233 -10.274 4.403 1.00 0.00 H new ATOM 312 N ASP A 18 0.179 -11.268 6.641 1.00 0.00 N ATOM 313 CA ASP A 18 -0.964 -10.823 7.430 1.00 0.00 C ATOM 314 C ASP A 18 -1.294 -9.372 7.114 1.00 0.00 C ATOM 315 O ASP A 18 -0.393 -8.560 6.891 1.00 0.00 O ATOM 316 CB ASP A 18 -0.704 -10.981 8.931 1.00 0.00 C ATOM 317 CG ASP A 18 -1.987 -10.918 9.728 1.00 0.00 C ATOM 318 OD1 ASP A 18 -2.420 -9.806 10.080 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.576 -11.988 9.991 1.00 0.00 O ATOM 0 H ASP A 18 0.989 -11.557 7.189 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.813 -11.452 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.206 -11.933 9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.027 -10.196 9.268 1.00 0.00 H new ATOM 324 N ASN A 19 -2.582 -9.049 7.097 1.00 0.00 N ATOM 325 CA ASN A 19 -3.023 -7.705 6.747 1.00 0.00 C ATOM 326 C ASN A 19 -2.560 -6.689 7.788 1.00 0.00 C ATOM 327 O ASN A 19 -2.513 -5.499 7.510 1.00 0.00 O ATOM 328 CB ASN A 19 -4.549 -7.650 6.543 1.00 0.00 C ATOM 329 CG ASN A 19 -5.369 -7.989 7.780 1.00 0.00 C ATOM 330 OD1 ASN A 19 -5.012 -7.654 8.905 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.481 -8.676 7.574 1.00 0.00 N ATOM 0 H ASN A 19 -3.337 -9.697 7.321 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.560 -7.439 5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.821 -6.650 6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.820 -8.340 5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.069 -8.942 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.750 -8.939 6.626 1.00 0.00 H new ATOM 338 N LEU A 20 -2.212 -7.173 8.979 1.00 0.00 N ATOM 339 CA LEU A 20 -1.617 -6.341 10.015 1.00 0.00 C ATOM 340 C LEU A 20 -0.304 -5.764 9.506 1.00 0.00 C ATOM 341 O LEU A 20 -0.061 -4.561 9.594 1.00 0.00 O ATOM 342 CB LEU A 20 -1.353 -7.192 11.258 1.00 0.00 C ATOM 343 CG LEU A 20 -1.255 -6.453 12.594 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.108 -7.464 13.717 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.098 -5.465 12.618 1.00 0.00 C ATOM 0 H LEU A 20 -2.335 -8.149 9.249 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.297 -5.528 10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.149 -7.933 11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.423 -7.739 11.104 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.170 -5.877 12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.038 -6.941 14.671 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.975 -8.124 13.728 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.205 -8.054 13.560 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.067 -4.964 13.586 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.839 -5.998 12.456 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.236 -4.724 11.830 1.00 0.00 H new ATOM 357 N PHE A 21 0.535 -6.643 8.969 1.00 0.00 N ATOM 358 CA PHE A 21 1.836 -6.248 8.451 1.00 0.00 C ATOM 359 C PHE A 21 1.655 -5.255 7.313 1.00 0.00 C ATOM 360 O PHE A 21 2.417 -4.292 7.179 1.00 0.00 O ATOM 361 CB PHE A 21 2.609 -7.479 7.970 1.00 0.00 C ATOM 362 CG PHE A 21 4.031 -7.184 7.592 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.998 -7.014 8.570 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.402 -7.077 6.262 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.307 -6.740 8.228 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.709 -6.805 5.915 1.00 0.00 C ATOM 367 CZ PHE A 21 6.663 -6.635 6.898 1.00 0.00 C ATOM 0 H PHE A 21 0.334 -7.639 8.882 1.00 0.00 H new ATOM 0 HA PHE A 21 2.409 -5.772 9.247 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.600 -8.234 8.756 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.094 -7.908 7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.724 -7.097 9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.660 -7.208 5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.051 -6.608 8.999 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.986 -6.725 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.686 -6.420 6.627 1.00 0.00 H new ATOM 377 N GLY A 22 0.631 -5.493 6.505 1.00 0.00 N ATOM 378 CA GLY A 22 0.280 -4.554 5.469 1.00 0.00 C ATOM 379 C GLY A 22 -0.168 -3.239 6.063 1.00 0.00 C ATOM 380 O GLY A 22 0.351 -2.187 5.710 1.00 0.00 O ATOM 0 H GLY A 22 0.039 -6.322 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.137 -4.390 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.516 -4.969 4.851 1.00 0.00 H new ATOM 384 N LYS A 23 -1.110 -3.310 6.995 1.00 0.00 N ATOM 385 CA LYS A 23 -1.628 -2.133 7.666 1.00 0.00 C ATOM 386 C LYS A 23 -0.501 -1.295 8.249 1.00 0.00 C ATOM 387 O LYS A 23 -0.546 -0.074 8.186 1.00 0.00 O ATOM 388 CB LYS A 23 -2.616 -2.547 8.756 1.00 0.00 C ATOM 389 CG LYS A 23 -4.007 -2.864 8.229 1.00 0.00 C ATOM 390 CD LYS A 23 -4.643 -1.646 7.578 1.00 0.00 C ATOM 391 CE LYS A 23 -6.002 -1.969 6.978 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.965 -2.447 8.001 1.00 0.00 N ATOM 0 H LYS A 23 -1.533 -4.185 7.304 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.150 -1.519 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.225 -3.422 9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.689 -1.746 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.947 -3.676 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.637 -3.212 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.752 -0.854 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.983 -1.265 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.403 -1.080 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.886 -2.730 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.915 -2.510 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.674 -3.386 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.983 -1.781 8.799 1.00 0.00 H new ATOM 406 N GLU A 24 0.511 -1.959 8.794 1.00 0.00 N ATOM 407 CA GLU A 24 1.698 -1.299 9.283 1.00 0.00 C ATOM 408 C GLU A 24 2.338 -0.441 8.202 1.00 0.00 C ATOM 409 O GLU A 24 2.550 0.754 8.395 1.00 0.00 O ATOM 410 CB GLU A 24 2.671 -2.356 9.761 1.00 0.00 C ATOM 411 CG GLU A 24 2.564 -2.639 11.240 1.00 0.00 C ATOM 412 CD GLU A 24 3.058 -1.477 12.080 1.00 0.00 C ATOM 413 OE1 GLU A 24 4.293 -1.316 12.211 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.226 -0.714 12.604 1.00 0.00 O ATOM 0 H GLU A 24 0.524 -2.973 8.906 1.00 0.00 H new ATOM 0 HA GLU A 24 1.428 -0.636 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.496 -3.279 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.687 -2.035 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.526 -2.854 11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.142 -3.531 11.481 1.00 0.00 H new ATOM 421 N LEU A 25 2.638 -1.061 7.066 1.00 0.00 N ATOM 422 CA LEU A 25 3.193 -0.349 5.920 1.00 0.00 C ATOM 423 C LEU A 25 2.331 0.862 5.578 1.00 0.00 C ATOM 424 O LEU A 25 2.768 2.011 5.661 1.00 0.00 O ATOM 425 CB LEU A 25 3.225 -1.266 4.702 1.00 0.00 C ATOM 426 CG LEU A 25 3.921 -2.603 4.891 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.667 -3.493 3.685 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.411 -2.402 5.117 1.00 0.00 C ATOM 0 H LEU A 25 2.505 -2.061 6.914 1.00 0.00 H new ATOM 0 HA LEU A 25 4.202 -0.027 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.199 -1.455 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.716 -0.736 3.886 1.00 0.00 H new ATOM 0 HG LEU A 25 3.513 -3.094 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.169 -4.450 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.595 -3.658 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.054 -3.010 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.893 -3.371 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.845 -1.897 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.565 -1.794 6.009 1.00 0.00 H new ATOM 440 N LEU A 26 1.082 0.577 5.233 1.00 0.00 N ATOM 441 CA LEU A 26 0.163 1.578 4.717 1.00 0.00 C ATOM 442 C LEU A 26 -0.111 2.679 5.735 1.00 0.00 C ATOM 443 O LEU A 26 -0.345 3.825 5.369 1.00 0.00 O ATOM 444 CB LEU A 26 -1.154 0.919 4.293 1.00 0.00 C ATOM 445 CG LEU A 26 -1.108 0.104 2.992 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.272 -1.143 3.146 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.512 -0.243 2.539 1.00 0.00 C ATOM 0 H LEU A 26 0.679 -0.357 5.304 1.00 0.00 H new ATOM 0 HA LEU A 26 0.636 2.039 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.485 0.263 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.909 1.698 4.185 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.635 0.721 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.263 -1.694 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.748 -0.867 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.696 -1.771 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.464 -0.821 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.008 -0.832 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.075 0.674 2.365 1.00 0.00 H new ATOM 459 N ASP A 27 -0.087 2.328 7.009 1.00 0.00 N ATOM 460 CA ASP A 27 -0.301 3.303 8.083 1.00 0.00 C ATOM 461 C ASP A 27 0.850 4.302 8.153 1.00 0.00 C ATOM 462 O ASP A 27 0.646 5.476 8.461 1.00 0.00 O ATOM 463 CB ASP A 27 -0.458 2.599 9.435 1.00 0.00 C ATOM 464 CG ASP A 27 -0.617 3.568 10.591 1.00 0.00 C ATOM 465 OD1 ASP A 27 0.324 3.684 11.405 1.00 0.00 O ATOM 466 OD2 ASP A 27 -1.679 4.221 10.694 1.00 0.00 O ATOM 0 H ASP A 27 0.078 1.375 7.333 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.220 3.844 7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.326 1.941 9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.413 1.968 9.614 1.00 0.00 H new ATOM 471 N LYS A 28 2.056 3.841 7.852 1.00 0.00 N ATOM 472 CA LYS A 28 3.231 4.702 7.906 1.00 0.00 C ATOM 473 C LYS A 28 3.292 5.607 6.681 1.00 0.00 C ATOM 474 O LYS A 28 3.906 6.673 6.713 1.00 0.00 O ATOM 475 CB LYS A 28 4.508 3.867 8.018 1.00 0.00 C ATOM 476 CG LYS A 28 4.473 2.876 9.170 1.00 0.00 C ATOM 477 CD LYS A 28 5.798 2.156 9.349 1.00 0.00 C ATOM 478 CE LYS A 28 5.663 0.978 10.303 1.00 0.00 C ATOM 479 NZ LYS A 28 4.938 1.336 11.554 1.00 0.00 N ATOM 0 H LYS A 28 2.247 2.880 7.569 1.00 0.00 H new ATOM 0 HA LYS A 28 3.152 5.330 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.664 3.325 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.361 4.534 8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.220 3.401 10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.685 2.144 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.157 1.804 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.544 2.853 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.136 0.167 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.655 0.604 10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.858 0.496 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.462 2.079 12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.987 1.683 11.317 1.00 0.00 H new ATOM 493 N PHE A 29 2.653 5.179 5.600 1.00 0.00 N ATOM 494 CA PHE A 29 2.591 5.983 4.384 1.00 0.00 C ATOM 495 C PHE A 29 1.229 6.640 4.232 1.00 0.00 C ATOM 496 O PHE A 29 0.963 7.283 3.221 1.00 0.00 O ATOM 497 CB PHE A 29 2.866 5.125 3.153 1.00 0.00 C ATOM 498 CG PHE A 29 4.228 4.512 3.128 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.453 3.288 3.723 1.00 0.00 C ATOM 500 CD2 PHE A 29 5.278 5.155 2.502 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.702 2.709 3.696 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.531 4.582 2.472 1.00 0.00 C ATOM 503 CZ PHE A 29 6.741 3.357 3.067 1.00 0.00 C ATOM 0 H PHE A 29 2.171 4.282 5.539 1.00 0.00 H new ATOM 0 HA PHE A 29 3.355 6.756 4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.121 4.331 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.739 5.738 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.639 2.777 4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.116 6.114 2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.866 1.751 4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.347 5.092 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.721 2.905 3.040 1.00 0.00 H new ATOM 513 N GLN A 30 0.381 6.478 5.241 1.00 0.00 N ATOM 514 CA GLN A 30 -0.992 6.922 5.197 1.00 0.00 C ATOM 515 C GLN A 30 -1.121 8.364 4.723 1.00 0.00 C ATOM 516 O GLN A 30 -1.934 8.662 3.851 1.00 0.00 O ATOM 517 CB GLN A 30 -1.599 6.777 6.582 1.00 0.00 C ATOM 518 CG GLN A 30 -3.057 7.082 6.609 1.00 0.00 C ATOM 519 CD GLN A 30 -3.618 7.210 8.011 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.576 7.949 8.242 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.026 6.502 8.959 1.00 0.00 N ATOM 0 H GLN A 30 0.638 6.028 6.120 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.525 6.301 4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.439 5.760 6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.081 7.442 7.272 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.237 8.011 6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.595 6.295 6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.235 5.901 8.728 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.361 6.557 9.921 1.00 0.00 H new ATOM 530 N ASP A 31 -0.311 9.248 5.286 1.00 0.00 N ATOM 531 CA ASP A 31 -0.383 10.663 4.947 1.00 0.00 C ATOM 532 C ASP A 31 -0.053 10.886 3.480 1.00 0.00 C ATOM 533 O ASP A 31 -0.698 11.685 2.811 1.00 0.00 O ATOM 534 CB ASP A 31 0.567 11.483 5.819 1.00 0.00 C ATOM 535 CG ASP A 31 0.518 12.960 5.486 1.00 0.00 C ATOM 536 OD1 ASP A 31 -0.474 13.622 5.857 1.00 0.00 O ATOM 537 OD2 ASP A 31 1.470 13.469 4.860 1.00 0.00 O ATOM 0 H ASP A 31 0.401 9.013 5.977 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.405 10.994 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.309 11.340 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.585 11.116 5.688 1.00 0.00 H new ATOM 542 N ASP A 32 0.926 10.148 2.975 1.00 0.00 N ATOM 543 CA ASP A 32 1.360 10.299 1.592 1.00 0.00 C ATOM 544 C ASP A 32 0.341 9.669 0.659 1.00 0.00 C ATOM 545 O ASP A 32 0.016 10.212 -0.396 1.00 0.00 O ATOM 546 CB ASP A 32 2.724 9.653 1.379 1.00 0.00 C ATOM 547 CG ASP A 32 3.375 10.100 0.088 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.759 11.290 0.002 1.00 0.00 O ATOM 549 OD2 ASP A 32 3.518 9.270 -0.831 1.00 0.00 O ATOM 0 H ASP A 32 1.435 9.438 3.502 1.00 0.00 H new ATOM 0 HA ASP A 32 1.444 11.363 1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.376 9.901 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.613 8.569 1.371 1.00 0.00 H new ATOM 554 N ILE A 33 -0.173 8.525 1.076 1.00 0.00 N ATOM 555 CA ILE A 33 -1.212 7.824 0.342 1.00 0.00 C ATOM 556 C ILE A 33 -2.463 8.688 0.235 1.00 0.00 C ATOM 557 O ILE A 33 -3.145 8.704 -0.788 1.00 0.00 O ATOM 558 CB ILE A 33 -1.561 6.489 1.036 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.348 5.557 1.017 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.758 5.831 0.369 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.528 4.290 1.826 1.00 0.00 C ATOM 0 H ILE A 33 0.118 8.056 1.933 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.837 7.614 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.827 6.694 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.127 5.287 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.518 6.098 1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.986 4.892 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.620 6.495 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.528 5.633 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.376 3.685 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.717 4.548 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.373 3.724 1.433 1.00 0.00 H new ATOM 573 N LYS A 34 -2.740 9.426 1.289 1.00 0.00 N ATOM 574 CA LYS A 34 -3.923 10.254 1.353 1.00 0.00 C ATOM 575 C LYS A 34 -3.662 11.596 0.689 1.00 0.00 C ATOM 576 O LYS A 34 -4.561 12.208 0.117 1.00 0.00 O ATOM 577 CB LYS A 34 -4.332 10.426 2.804 1.00 0.00 C ATOM 578 CG LYS A 34 -5.741 10.954 2.979 1.00 0.00 C ATOM 579 CD LYS A 34 -6.244 10.714 4.388 1.00 0.00 C ATOM 580 CE LYS A 34 -7.705 11.101 4.532 1.00 0.00 C ATOM 581 NZ LYS A 34 -7.920 12.554 4.314 1.00 0.00 N ATOM 0 H LYS A 34 -2.153 9.468 2.122 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.740 9.774 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.247 9.466 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.635 11.108 3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.762 12.021 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.406 10.468 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.118 9.662 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.643 11.289 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.302 10.535 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.056 10.828 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.911 12.793 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.294 13.096 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.706 12.792 3.325 1.00 0.00 H new ATOM 595 N ASP A 35 -2.423 12.041 0.759 1.00 0.00 N ATOM 596 CA ASP A 35 -2.005 13.256 0.077 1.00 0.00 C ATOM 597 C ASP A 35 -2.039 13.070 -1.435 1.00 0.00 C ATOM 598 O ASP A 35 -2.511 13.936 -2.171 1.00 0.00 O ATOM 599 CB ASP A 35 -0.598 13.655 0.510 1.00 0.00 C ATOM 600 CG ASP A 35 -0.107 14.910 -0.183 1.00 0.00 C ATOM 601 OD1 ASP A 35 -0.701 15.991 0.033 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.883 14.827 -0.939 1.00 0.00 O ATOM 0 H ASP A 35 -1.682 11.578 1.284 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.703 14.048 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.585 13.812 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.089 12.836 0.299 1.00 0.00 H new ATOM 607 N LYS A 36 -1.535 11.931 -1.889 1.00 0.00 N ATOM 608 CA LYS A 36 -1.439 11.645 -3.313 1.00 0.00 C ATOM 609 C LYS A 36 -2.725 11.048 -3.882 1.00 0.00 C ATOM 610 O LYS A 36 -3.211 11.488 -4.922 1.00 0.00 O ATOM 611 CB LYS A 36 -0.274 10.701 -3.577 1.00 0.00 C ATOM 612 CG LYS A 36 1.070 11.394 -3.534 1.00 0.00 C ATOM 613 CD LYS A 36 2.200 10.394 -3.520 1.00 0.00 C ATOM 614 CE LYS A 36 2.201 9.500 -4.752 1.00 0.00 C ATOM 615 NZ LYS A 36 2.400 10.268 -6.010 1.00 0.00 N ATOM 0 H LYS A 36 -1.184 11.186 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.272 12.596 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.288 9.900 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.405 10.235 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.172 12.049 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.128 12.025 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.150 10.925 -3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.123 9.775 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.990 8.755 -4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.256 8.959 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.495 9.608 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.582 10.890 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.263 10.844 -5.933 1.00 0.00 H new ATOM 629 N TYR A 37 -3.276 10.046 -3.206 1.00 0.00 N ATOM 630 CA TYR A 37 -4.397 9.288 -3.757 1.00 0.00 C ATOM 631 C TYR A 37 -5.691 9.542 -2.982 1.00 0.00 C ATOM 632 O TYR A 37 -6.774 9.159 -3.427 1.00 0.00 O ATOM 633 CB TYR A 37 -4.067 7.793 -3.748 1.00 0.00 C ATOM 634 CG TYR A 37 -2.711 7.470 -4.337 1.00 0.00 C ATOM 635 CD1 TYR A 37 -2.507 7.470 -5.710 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.632 7.170 -3.514 1.00 0.00 C ATOM 637 CE1 TYR A 37 -1.267 7.182 -6.246 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.390 6.879 -4.041 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.213 6.886 -5.409 1.00 0.00 C ATOM 640 OH TYR A 37 1.024 6.603 -5.940 1.00 0.00 O ATOM 0 H TYR A 37 -2.969 9.740 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.555 9.624 -4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.105 7.427 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.834 7.256 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.331 7.699 -6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.768 7.164 -2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.124 7.189 -7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.438 6.647 -3.387 1.00 0.00 H new ATOM 0 HH TYR A 37 1.657 6.417 -5.215 1.00 0.00 H new ATOM 650 N GLY A 38 -5.569 10.177 -1.822 1.00 0.00 N ATOM 651 CA GLY A 38 -6.740 10.513 -1.025 1.00 0.00 C ATOM 652 C GLY A 38 -7.383 9.299 -0.387 1.00 0.00 C ATOM 653 O GLY A 38 -8.606 9.157 -0.395 1.00 0.00 O ATOM 0 H GLY A 38 -4.679 10.467 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.453 11.219 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.472 11.016 -1.657 1.00 0.00 H new ATOM 657 N VAL A 39 -6.565 8.424 0.175 1.00 0.00 N ATOM 658 CA VAL A 39 -7.050 7.180 0.743 1.00 0.00 C ATOM 659 C VAL A 39 -6.840 7.139 2.251 1.00 0.00 C ATOM 660 O VAL A 39 -5.863 7.679 2.767 1.00 0.00 O ATOM 661 CB VAL A 39 -6.305 5.983 0.137 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.949 4.676 0.550 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.230 6.089 -1.379 1.00 0.00 C ATOM 0 H VAL A 39 -5.556 8.555 0.249 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.115 7.124 0.516 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.287 5.999 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.401 3.844 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.927 4.587 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.983 4.655 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.696 5.226 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.238 6.115 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.701 7.002 -1.654 1.00 0.00 H new ATOM 673 N ASP A 40 -7.754 6.487 2.945 1.00 0.00 N ATOM 674 CA ASP A 40 -7.580 6.195 4.359 1.00 0.00 C ATOM 675 C ASP A 40 -7.192 4.734 4.501 1.00 0.00 C ATOM 676 O ASP A 40 -7.986 3.843 4.209 1.00 0.00 O ATOM 677 CB ASP A 40 -8.858 6.478 5.149 1.00 0.00 C ATOM 678 CG ASP A 40 -8.665 6.271 6.637 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.409 7.263 7.351 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.766 5.117 7.108 1.00 0.00 O ATOM 0 H ASP A 40 -8.631 6.147 2.551 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.799 6.838 4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.178 7.503 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.656 5.826 4.793 1.00 0.00 H new ATOM 685 N THR A 41 -5.970 4.490 4.939 1.00 0.00 N ATOM 686 CA THR A 41 -5.401 3.156 4.892 1.00 0.00 C ATOM 687 C THR A 41 -5.988 2.218 5.943 1.00 0.00 C ATOM 688 O THR A 41 -5.809 1.005 5.864 1.00 0.00 O ATOM 689 CB THR A 41 -3.883 3.216 5.055 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.546 3.859 6.291 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.252 3.976 3.901 1.00 0.00 C ATOM 0 H THR A 41 -5.352 5.200 5.332 1.00 0.00 H new ATOM 0 HA THR A 41 -5.657 2.749 3.914 1.00 0.00 H new ATOM 0 HB THR A 41 -3.498 2.196 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.176 3.198 6.913 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.171 4.008 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.487 3.474 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.645 4.992 3.877 1.00 0.00 H new ATOM 699 N LYS A 42 -6.685 2.772 6.922 1.00 0.00 N ATOM 700 CA LYS A 42 -7.310 1.963 7.951 1.00 0.00 C ATOM 701 C LYS A 42 -8.623 1.408 7.442 1.00 0.00 C ATOM 702 O LYS A 42 -8.939 0.232 7.631 1.00 0.00 O ATOM 703 CB LYS A 42 -7.549 2.786 9.212 1.00 0.00 C ATOM 704 CG LYS A 42 -6.278 3.335 9.831 1.00 0.00 C ATOM 705 CD LYS A 42 -5.874 4.676 9.234 1.00 0.00 C ATOM 706 CE LYS A 42 -6.612 5.843 9.880 1.00 0.00 C ATOM 707 NZ LYS A 42 -8.086 5.771 9.695 1.00 0.00 N ATOM 0 H LYS A 42 -6.831 3.776 7.024 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.641 1.139 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.214 3.616 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.063 2.167 9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.420 3.447 10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.469 2.619 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.800 4.816 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.076 4.670 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.386 5.864 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.243 6.778 9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.489 6.729 9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.299 5.348 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.502 5.186 10.447 1.00 0.00 H new ATOM 721 N ASP A 43 -9.383 2.272 6.791 1.00 0.00 N ATOM 722 CA ASP A 43 -10.641 1.875 6.167 1.00 0.00 C ATOM 723 C ASP A 43 -10.363 1.060 4.908 1.00 0.00 C ATOM 724 O ASP A 43 -11.215 0.302 4.436 1.00 0.00 O ATOM 725 CB ASP A 43 -11.478 3.112 5.830 1.00 0.00 C ATOM 726 CG ASP A 43 -12.783 2.771 5.136 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.660 2.147 5.775 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.947 3.146 3.954 1.00 0.00 O ATOM 0 H ASP A 43 -9.152 3.259 6.679 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.204 1.257 6.866 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.693 3.660 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.895 3.776 5.191 1.00 0.00 H new ATOM 733 N LEU A 44 -9.159 1.229 4.377 1.00 0.00 N ATOM 734 CA LEU A 44 -8.701 0.473 3.223 1.00 0.00 C ATOM 735 C LEU A 44 -8.701 -1.019 3.534 1.00 0.00 C ATOM 736 O LEU A 44 -8.218 -1.446 4.584 1.00 0.00 O ATOM 737 CB LEU A 44 -7.290 0.922 2.840 1.00 0.00 C ATOM 738 CG LEU A 44 -6.892 0.668 1.390 1.00 0.00 C ATOM 739 CD1 LEU A 44 -7.955 1.204 0.443 1.00 0.00 C ATOM 740 CD2 LEU A 44 -5.545 1.309 1.106 1.00 0.00 C ATOM 0 H LEU A 44 -8.474 1.894 4.735 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.379 0.657 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.200 1.989 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.577 0.413 3.489 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.809 -0.407 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.654 1.014 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.904 0.706 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.070 2.277 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.266 1.124 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.610 2.383 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.791 0.880 1.767 1.00 0.00 H new ATOM 752 N LYS A 45 -9.243 -1.808 2.623 1.00 0.00 N ATOM 753 CA LYS A 45 -9.338 -3.236 2.818 1.00 0.00 C ATOM 754 C LYS A 45 -8.163 -3.934 2.155 1.00 0.00 C ATOM 755 O LYS A 45 -8.111 -4.054 0.933 1.00 0.00 O ATOM 756 CB LYS A 45 -10.663 -3.739 2.246 1.00 0.00 C ATOM 757 CG LYS A 45 -10.794 -5.243 2.235 1.00 0.00 C ATOM 758 CD LYS A 45 -12.108 -5.679 1.608 1.00 0.00 C ATOM 759 CE LYS A 45 -12.231 -7.191 1.569 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.485 -7.629 0.906 1.00 0.00 N ATOM 0 H LYS A 45 -9.625 -1.477 1.737 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.307 -3.461 3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.482 -3.317 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.772 -3.367 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.962 -5.678 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.732 -5.623 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.939 -5.260 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.179 -5.281 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.375 -7.611 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.202 -7.584 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.530 -8.668 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.303 -7.250 1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.502 -7.276 -0.072 1.00 0.00 H new ATOM 774 N ILE A 46 -7.211 -4.376 2.959 1.00 0.00 N ATOM 775 CA ILE A 46 -6.036 -5.043 2.430 1.00 0.00 C ATOM 776 C ILE A 46 -6.352 -6.487 2.074 1.00 0.00 C ATOM 777 O ILE A 46 -6.783 -7.275 2.914 1.00 0.00 O ATOM 778 CB ILE A 46 -4.849 -4.978 3.408 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.439 -3.516 3.615 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.680 -5.804 2.883 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.216 -3.329 4.481 1.00 0.00 C ATOM 0 H ILE A 46 -7.229 -4.285 3.975 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.744 -4.513 1.523 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.148 -5.399 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.253 -3.062 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.273 -2.977 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.849 -5.747 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.990 -6.843 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.364 -5.413 1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.996 -2.266 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.402 -3.750 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.366 -3.836 4.025 1.00 0.00 H new ATOM 793 N LEU A 47 -6.139 -6.809 0.811 1.00 0.00 N ATOM 794 CA LEU A 47 -6.466 -8.115 0.273 1.00 0.00 C ATOM 795 C LEU A 47 -5.265 -9.038 0.367 1.00 0.00 C ATOM 796 O LEU A 47 -5.356 -10.152 0.878 1.00 0.00 O ATOM 797 CB LEU A 47 -6.874 -7.978 -1.193 1.00 0.00 C ATOM 798 CG LEU A 47 -7.756 -6.774 -1.516 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.020 -6.702 -3.009 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.066 -6.843 -0.745 1.00 0.00 C ATOM 0 H LEU A 47 -5.733 -6.169 0.128 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.289 -8.535 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.971 -7.919 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.401 -8.884 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.230 -5.869 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.650 -5.839 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.074 -6.604 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.526 -7.611 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.679 -5.976 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.601 -7.753 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.858 -6.850 0.325 1.00 0.00 H new ATOM 812 N LYS A 48 -4.134 -8.562 -0.128 1.00 0.00 N ATOM 813 CA LYS A 48 -2.935 -9.372 -0.175 1.00 0.00 C ATOM 814 C LYS A 48 -1.706 -8.525 0.099 1.00 0.00 C ATOM 815 O LYS A 48 -1.378 -7.621 -0.671 1.00 0.00 O ATOM 816 CB LYS A 48 -2.793 -10.053 -1.538 1.00 0.00 C ATOM 817 CG LYS A 48 -1.792 -11.199 -1.533 1.00 0.00 C ATOM 818 CD LYS A 48 -0.700 -11.027 -2.578 1.00 0.00 C ATOM 819 CE LYS A 48 -1.267 -10.942 -3.983 1.00 0.00 C ATOM 820 NZ LYS A 48 -0.200 -11.004 -5.012 1.00 0.00 N ATOM 0 H LYS A 48 -4.024 -7.619 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.020 -10.138 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.766 -10.430 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.485 -9.313 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.336 -11.274 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.318 -12.137 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.130 -10.123 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.005 -11.864 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.972 -11.758 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.826 -10.013 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.433 -10.358 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.707 -10.723 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.126 -11.975 -5.377 1.00 0.00 H new ATOM 834 N THR A 49 -1.054 -8.806 1.210 1.00 0.00 N ATOM 835 CA THR A 49 0.209 -8.179 1.539 1.00 0.00 C ATOM 836 C THR A 49 1.349 -9.114 1.162 1.00 0.00 C ATOM 837 O THR A 49 1.316 -10.294 1.495 1.00 0.00 O ATOM 838 CB THR A 49 0.289 -7.867 3.046 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.828 -7.057 3.431 1.00 0.00 O ATOM 840 CG2 THR A 49 1.587 -7.151 3.394 1.00 0.00 C ATOM 0 H THR A 49 -1.384 -9.473 1.907 1.00 0.00 H new ATOM 0 HA THR A 49 0.288 -7.245 0.983 1.00 0.00 H new ATOM 0 HB THR A 49 0.265 -8.811 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.512 -7.621 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.613 -6.945 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.434 -7.782 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.644 -6.213 2.842 1.00 0.00 H new ATOM 848 N SER A 50 2.331 -8.610 0.443 1.00 0.00 N ATOM 849 CA SER A 50 3.498 -9.404 0.106 1.00 0.00 C ATOM 850 C SER A 50 4.631 -8.513 -0.369 1.00 0.00 C ATOM 851 O SER A 50 4.500 -7.286 -0.400 1.00 0.00 O ATOM 852 CB SER A 50 3.149 -10.438 -0.969 1.00 0.00 C ATOM 853 OG SER A 50 2.309 -9.881 -1.966 1.00 0.00 O ATOM 0 H SER A 50 2.346 -7.657 0.081 1.00 0.00 H new ATOM 0 HA SER A 50 3.825 -9.930 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.064 -10.811 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.653 -11.292 -0.508 1.00 0.00 H new ATOM 0 HG SER A 50 2.104 -10.563 -2.639 1.00 0.00 H new ATOM 859 N GLU A 51 5.736 -9.130 -0.742 1.00 0.00 N ATOM 860 CA GLU A 51 6.891 -8.397 -1.216 1.00 0.00 C ATOM 861 C GLU A 51 7.540 -9.124 -2.384 1.00 0.00 C ATOM 862 O GLU A 51 7.325 -10.320 -2.585 1.00 0.00 O ATOM 863 CB GLU A 51 7.891 -8.172 -0.080 1.00 0.00 C ATOM 864 CG GLU A 51 8.248 -9.428 0.698 1.00 0.00 C ATOM 865 CD GLU A 51 9.087 -9.123 1.921 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.277 -8.787 1.758 1.00 0.00 O ATOM 867 OE2 GLU A 51 8.555 -9.198 3.047 1.00 0.00 O ATOM 0 H GLU A 51 5.857 -10.143 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 51 6.561 -7.420 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.804 -7.744 -0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.479 -7.436 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.334 -9.936 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.792 -10.114 0.048 1.00 0.00 H new ATOM 874 N ASP A 52 8.316 -8.382 -3.154 1.00 0.00 N ATOM 875 CA ASP A 52 8.941 -8.898 -4.360 1.00 0.00 C ATOM 876 C ASP A 52 10.374 -8.367 -4.441 1.00 0.00 C ATOM 877 O ASP A 52 11.014 -8.147 -3.410 1.00 0.00 O ATOM 878 CB ASP A 52 8.122 -8.458 -5.583 1.00 0.00 C ATOM 879 CG ASP A 52 8.263 -9.389 -6.771 1.00 0.00 C ATOM 880 OD1 ASP A 52 9.310 -9.349 -7.447 1.00 0.00 O ATOM 881 OD2 ASP A 52 7.320 -10.161 -7.048 1.00 0.00 O ATOM 0 H ASP A 52 8.531 -7.404 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 52 8.971 -9.987 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.070 -8.396 -5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.433 -7.456 -5.878 1.00 0.00 H new ATOM 886 N LYS A 53 10.879 -8.163 -5.650 1.00 0.00 N ATOM 887 CA LYS A 53 12.224 -7.630 -5.848 1.00 0.00 C ATOM 888 C LYS A 53 12.321 -6.195 -5.329 1.00 0.00 C ATOM 889 O LYS A 53 12.005 -5.254 -6.049 1.00 0.00 O ATOM 890 CB LYS A 53 12.593 -7.646 -7.336 1.00 0.00 C ATOM 891 CG LYS A 53 12.350 -8.975 -8.031 1.00 0.00 C ATOM 892 CD LYS A 53 13.329 -10.047 -7.594 1.00 0.00 C ATOM 893 CE LYS A 53 13.062 -11.359 -8.319 1.00 0.00 C ATOM 894 NZ LYS A 53 13.125 -11.202 -9.797 1.00 0.00 N ATOM 0 H LYS A 53 10.375 -8.359 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 53 12.916 -8.262 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.020 -6.873 -7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.646 -7.384 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.334 -9.309 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.426 -8.836 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.348 -9.717 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.250 -10.200 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.792 -12.103 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.079 -11.736 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.227 -12.137 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.251 -10.751 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.941 -10.609 -10.049 1.00 0.00 H new ATOM 908 N ARG A 54 12.712 -6.044 -4.061 1.00 0.00 N ATOM 909 CA ARG A 54 12.934 -4.727 -3.440 1.00 0.00 C ATOM 910 C ARG A 54 11.623 -3.978 -3.177 1.00 0.00 C ATOM 911 O ARG A 54 11.613 -2.966 -2.477 1.00 0.00 O ATOM 912 CB ARG A 54 13.846 -3.851 -4.310 1.00 0.00 C ATOM 913 CG ARG A 54 15.228 -4.433 -4.553 1.00 0.00 C ATOM 914 CD ARG A 54 16.031 -3.555 -5.497 1.00 0.00 C ATOM 915 NE ARG A 54 17.301 -4.171 -5.876 1.00 0.00 N ATOM 916 CZ ARG A 54 17.591 -4.564 -7.116 1.00 0.00 C ATOM 917 NH1 ARG A 54 16.710 -4.391 -8.096 1.00 0.00 N ATOM 918 NH2 ARG A 54 18.764 -5.124 -7.376 1.00 0.00 N ATOM 0 H ARG A 54 12.885 -6.829 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 54 13.417 -4.921 -2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.361 -3.685 -5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.954 -2.876 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.757 -4.532 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.136 -5.435 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.444 -3.356 -6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.223 -2.593 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 54 18.005 -4.308 -5.151 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.808 -3.956 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.936 -4.693 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.444 -5.254 -6.627 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.986 -5.425 -8.325 1.00 0.00 H new ATOM 932 N PHE A 55 10.525 -4.459 -3.737 1.00 0.00 N ATOM 933 CA PHE A 55 9.249 -3.768 -3.606 1.00 0.00 C ATOM 934 C PHE A 55 8.306 -4.529 -2.683 1.00 0.00 C ATOM 935 O PHE A 55 8.347 -5.753 -2.623 1.00 0.00 O ATOM 936 CB PHE A 55 8.571 -3.611 -4.973 1.00 0.00 C ATOM 937 CG PHE A 55 9.498 -3.251 -6.099 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.523 -4.014 -7.255 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.341 -2.157 -6.004 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.372 -3.692 -8.297 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.193 -1.831 -7.043 1.00 0.00 C ATOM 942 CZ PHE A 55 11.209 -2.599 -8.190 1.00 0.00 C ATOM 0 H PHE A 55 10.489 -5.319 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 55 9.458 -2.785 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.066 -4.544 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.802 -2.843 -4.895 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.871 -4.871 -7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.333 -1.552 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.381 -4.294 -9.193 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.846 -0.975 -6.957 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.875 -2.346 -9.002 1.00 0.00 H new ATOM 952 N TYR A 56 7.487 -3.796 -1.947 1.00 0.00 N ATOM 953 CA TYR A 56 6.348 -4.382 -1.262 1.00 0.00 C ATOM 954 C TYR A 56 5.103 -4.162 -2.098 1.00 0.00 C ATOM 955 O TYR A 56 4.956 -3.119 -2.736 1.00 0.00 O ATOM 956 CB TYR A 56 6.148 -3.777 0.131 1.00 0.00 C ATOM 957 CG TYR A 56 6.838 -4.544 1.231 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.236 -5.659 1.794 1.00 0.00 C ATOM 959 CD2 TYR A 56 8.085 -4.161 1.703 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.857 -6.375 2.793 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.714 -4.872 2.707 1.00 0.00 C ATOM 962 CZ TYR A 56 8.096 -5.980 3.247 1.00 0.00 C ATOM 963 OH TYR A 56 8.723 -6.700 4.236 1.00 0.00 O ATOM 0 H TYR A 56 7.591 -2.791 -1.809 1.00 0.00 H new ATOM 0 HA TYR A 56 6.538 -5.448 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.518 -2.752 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.081 -3.730 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.264 -5.971 1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.571 -3.295 1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.375 -7.242 3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.684 -4.562 3.067 1.00 0.00 H new ATOM 0 HH TYR A 56 8.757 -7.646 3.981 1.00 0.00 H new ATOM 973 N TYR A 57 4.224 -5.142 -2.109 1.00 0.00 N ATOM 974 CA TYR A 57 3.002 -5.055 -2.886 1.00 0.00 C ATOM 975 C TYR A 57 1.789 -5.325 -2.013 1.00 0.00 C ATOM 976 O TYR A 57 1.546 -6.458 -1.595 1.00 0.00 O ATOM 977 CB TYR A 57 3.039 -6.027 -4.064 1.00 0.00 C ATOM 978 CG TYR A 57 3.980 -5.606 -5.168 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.631 -4.589 -6.046 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.208 -6.227 -5.338 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.481 -4.201 -7.062 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.065 -5.843 -6.352 1.00 0.00 C ATOM 983 CZ TYR A 57 5.696 -4.831 -7.211 1.00 0.00 C ATOM 984 OH TYR A 57 6.545 -4.450 -8.227 1.00 0.00 O ATOM 0 H TYR A 57 4.332 -6.012 -1.587 1.00 0.00 H new ATOM 0 HA TYR A 57 2.923 -4.042 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.335 -7.012 -3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.034 -6.127 -4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.678 -4.093 -5.932 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.499 -7.023 -4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.194 -3.408 -7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.020 -6.334 -6.470 1.00 0.00 H new ATOM 0 HH TYR A 57 7.430 -4.252 -7.856 1.00 0.00 H new ATOM 994 N VAL A 58 1.040 -4.275 -1.725 1.00 0.00 N ATOM 995 CA VAL A 58 -0.159 -4.397 -0.914 1.00 0.00 C ATOM 996 C VAL A 58 -1.403 -4.202 -1.768 1.00 0.00 C ATOM 997 O VAL A 58 -1.778 -3.075 -2.083 1.00 0.00 O ATOM 998 CB VAL A 58 -0.182 -3.374 0.240 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.325 -3.682 1.193 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.149 -3.352 0.972 1.00 0.00 C ATOM 0 H VAL A 58 1.241 -3.326 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.151 -5.400 -0.488 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.344 -2.381 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.330 -2.953 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.271 -3.633 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.195 -4.682 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.107 -2.623 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.354 -4.340 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.942 -3.077 0.277 1.00 0.00 H new ATOM 1010 N SER A 59 -2.027 -5.299 -2.158 1.00 0.00 N ATOM 1011 CA SER A 59 -3.256 -5.231 -2.927 1.00 0.00 C ATOM 1012 C SER A 59 -4.403 -4.892 -1.990 1.00 0.00 C ATOM 1013 O SER A 59 -4.636 -5.600 -1.014 1.00 0.00 O ATOM 1014 CB SER A 59 -3.529 -6.563 -3.625 1.00 0.00 C ATOM 1015 OG SER A 59 -4.549 -6.438 -4.599 1.00 0.00 O ATOM 0 H SER A 59 -1.704 -6.245 -1.955 1.00 0.00 H new ATOM 0 HA SER A 59 -3.160 -4.460 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.615 -6.921 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.819 -7.310 -2.886 1.00 0.00 H new ATOM 0 HG SER A 59 -4.699 -7.306 -5.029 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.096 -3.803 -2.270 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.181 -3.352 -1.416 1.00 0.00 C ATOM 1023 C VAL A 60 -7.430 -3.058 -2.223 1.00 0.00 C ATOM 1024 O VAL A 60 -7.360 -2.772 -3.419 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.792 -2.081 -0.637 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.564 -2.336 0.217 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.559 -0.926 -1.596 1.00 0.00 C ATOM 0 H VAL A 60 -4.926 -3.213 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.381 -4.161 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.613 -1.812 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.304 -1.428 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.774 -3.136 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.731 -2.628 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.285 -0.034 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.754 -1.182 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.471 -0.732 -2.160 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.565 -3.137 -1.560 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.826 -2.742 -2.150 1.00 0.00 C ATOM 1039 C ASP A 61 -10.170 -1.347 -1.653 1.00 0.00 C ATOM 1040 O ASP A 61 -10.259 -1.119 -0.445 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.932 -3.726 -1.770 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.184 -3.547 -2.601 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.876 -2.519 -2.437 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.496 -4.449 -3.406 1.00 0.00 O ATOM 0 H ASP A 61 -8.639 -3.476 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.739 -2.743 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.563 -4.745 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.179 -3.599 -0.716 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.346 -0.416 -2.577 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.540 0.986 -2.222 1.00 0.00 C ATOM 1051 C ALA A 62 -11.946 1.258 -1.694 1.00 0.00 C ATOM 1052 O ALA A 62 -12.277 2.390 -1.344 1.00 0.00 O ATOM 1053 CB ALA A 62 -10.246 1.873 -3.418 1.00 0.00 C ATOM 0 H ALA A 62 -10.359 -0.603 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.842 1.219 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.394 2.917 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.214 1.725 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.919 1.615 -4.236 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.776 0.227 -1.650 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.131 0.388 -1.166 1.00 0.00 C ATOM 1061 C GLY A 63 -15.081 0.737 -2.284 1.00 0.00 C ATOM 1062 O GLY A 63 -16.209 0.248 -2.336 1.00 0.00 O ATOM 0 H GLY A 63 -12.535 -0.720 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.458 -0.533 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.157 1.171 -0.408 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.608 1.574 -3.194 1.00 0.00 N ATOM 1067 CA ASP A 64 -15.383 1.968 -4.362 1.00 0.00 C ATOM 1068 C ASP A 64 -15.465 0.813 -5.358 1.00 0.00 C ATOM 1069 O ASP A 64 -16.292 0.811 -6.268 1.00 0.00 O ATOM 1070 CB ASP A 64 -14.749 3.197 -5.018 1.00 0.00 C ATOM 1071 CG ASP A 64 -15.580 3.754 -6.155 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -15.175 3.598 -7.328 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -16.635 4.357 -5.885 1.00 0.00 O ATOM 0 H ASP A 64 -13.681 1.998 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.395 2.222 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.608 3.972 -4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.760 2.933 -5.393 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.596 -0.173 -5.173 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.630 -1.353 -6.010 1.00 0.00 C ATOM 1080 C GLY A 65 -13.294 -1.653 -6.648 1.00 0.00 C ATOM 1081 O GLY A 65 -13.018 -2.798 -7.007 1.00 0.00 O ATOM 0 H GLY A 65 -13.869 -0.175 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.943 -2.209 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.379 -1.219 -6.790 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.462 -0.629 -6.789 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.171 -0.778 -7.435 1.00 0.00 C ATOM 1087 C GLU A 66 -10.187 -1.496 -6.514 1.00 0.00 C ATOM 1088 O GLU A 66 -10.309 -1.435 -5.286 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.635 0.593 -7.842 1.00 0.00 C ATOM 1090 CG GLU A 66 -9.881 1.313 -6.748 1.00 0.00 C ATOM 1091 CD GLU A 66 -9.426 2.696 -7.164 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -9.575 3.641 -6.361 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -8.928 2.847 -8.299 1.00 0.00 O ATOM 0 H GLU A 66 -12.662 0.316 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.292 -1.386 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.977 0.473 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.470 1.216 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.517 1.394 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.012 0.720 -6.461 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.218 -2.177 -7.112 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.226 -2.914 -6.355 1.00 0.00 C ATOM 1102 C LYS A 67 -6.829 -2.471 -6.754 1.00 0.00 C ATOM 1103 O LYS A 67 -6.357 -2.757 -7.855 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.404 -4.419 -6.553 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.640 -4.966 -5.857 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.882 -6.424 -6.198 1.00 0.00 C ATOM 1107 CE LYS A 67 -10.973 -7.026 -5.326 1.00 0.00 C ATOM 1108 NZ LYS A 67 -12.225 -6.226 -5.355 1.00 0.00 N ATOM 0 H LYS A 67 -9.101 -2.232 -8.124 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.364 -2.700 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.469 -4.635 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.522 -4.937 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.526 -4.859 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.510 -4.376 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.164 -6.512 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.958 -6.988 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.185 -8.041 -5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.615 -7.099 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.013 -6.802 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.112 -5.383 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.427 -5.933 -6.332 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.185 -1.754 -5.854 1.00 0.00 N ATOM 1123 CA CYS A 68 -4.883 -1.172 -6.121 1.00 0.00 C ATOM 1124 C CYS A 68 -3.802 -1.903 -5.357 1.00 0.00 C ATOM 1125 O CYS A 68 -3.938 -2.176 -4.168 1.00 0.00 O ATOM 1126 CB CYS A 68 -4.880 0.308 -5.742 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.178 1.291 -6.563 1.00 0.00 S ATOM 0 H CYS A 68 -6.547 -1.559 -4.921 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.678 -1.268 -7.187 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.002 0.396 -4.662 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.907 0.733 -5.989 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.734 -2.221 -6.055 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.602 -2.886 -5.458 1.00 0.00 C ATOM 1134 C LYS A 69 -0.551 -1.837 -5.102 1.00 0.00 C ATOM 1135 O LYS A 69 0.130 -1.298 -5.974 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.043 -3.920 -6.440 1.00 0.00 C ATOM 1137 CG LYS A 69 0.094 -4.759 -5.888 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.418 -6.040 -5.254 1.00 0.00 C ATOM 1139 CE LYS A 69 -1.008 -6.980 -6.295 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.018 -7.463 -7.258 1.00 0.00 N ATOM 0 H LYS A 69 -2.628 -2.025 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.899 -3.409 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.851 -4.583 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.696 -3.403 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.791 -5.002 -6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.648 -4.181 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.398 -6.540 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.175 -5.800 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.465 -7.834 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.801 -6.467 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.452 -7.884 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.609 -6.664 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.616 -8.179 -6.798 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.472 -1.506 -3.824 1.00 0.00 N ATOM 1155 CA PHE A 70 0.470 -0.506 -3.345 1.00 0.00 C ATOM 1156 C PHE A 70 1.895 -0.998 -3.491 1.00 0.00 C ATOM 1157 O PHE A 70 2.280 -1.989 -2.875 1.00 0.00 O ATOM 1158 CB PHE A 70 0.190 -0.156 -1.884 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.930 0.825 -1.709 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.666 2.111 -1.274 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.237 0.471 -1.988 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -1.687 3.026 -1.120 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.263 1.383 -1.834 1.00 0.00 C ATOM 1164 CZ PHE A 70 -2.988 2.662 -1.399 1.00 0.00 C ATOM 0 H PHE A 70 -1.053 -1.918 -3.094 1.00 0.00 H new ATOM 0 HA PHE A 70 0.344 0.390 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.049 -1.069 -1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.095 0.254 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.350 2.402 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.458 -0.529 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.468 4.028 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.280 1.094 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.789 3.377 -1.277 1.00 0.00 H new ATOM 1174 N LYS A 71 2.675 -0.300 -4.302 1.00 0.00 N ATOM 1175 CA LYS A 71 4.055 -0.670 -4.517 1.00 0.00 C ATOM 1176 C LYS A 71 4.936 0.098 -3.556 1.00 0.00 C ATOM 1177 O LYS A 71 5.630 1.053 -3.925 1.00 0.00 O ATOM 1178 CB LYS A 71 4.458 -0.414 -5.965 1.00 0.00 C ATOM 1179 CG LYS A 71 5.874 -0.842 -6.317 1.00 0.00 C ATOM 1180 CD LYS A 71 5.974 -1.092 -7.809 1.00 0.00 C ATOM 1181 CE LYS A 71 7.406 -1.317 -8.277 1.00 0.00 C ATOM 1182 NZ LYS A 71 8.095 -0.041 -8.624 1.00 0.00 N ATOM 0 H LYS A 71 2.371 0.525 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 71 4.179 -1.736 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.762 -0.938 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.352 0.651 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.583 -0.069 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.139 -1.746 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.371 -1.963 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.551 -0.242 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.966 -1.828 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.403 -1.974 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.491 -0.110 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.413 0.743 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.862 0.135 -7.944 1.00 0.00 H new ATOM 1196 N ILE A 72 4.864 -0.304 -2.305 1.00 0.00 N ATOM 1197 CA ILE A 72 5.658 0.303 -1.269 1.00 0.00 C ATOM 1198 C ILE A 72 7.082 -0.190 -1.388 1.00 0.00 C ATOM 1199 O ILE A 72 7.436 -1.247 -0.872 1.00 0.00 O ATOM 1200 CB ILE A 72 5.107 -0.017 0.133 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.671 0.498 0.271 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.001 0.587 1.205 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.002 0.096 1.570 1.00 0.00 C ATOM 0 H ILE A 72 4.256 -1.057 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 72 5.621 1.385 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 72 5.098 -1.099 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.676 1.585 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.078 0.124 -0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.598 0.352 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.006 0.174 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.041 1.669 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.989 0.496 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.965 -0.991 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.571 0.493 2.410 1.00 0.00 H new ATOM 1215 N ARG A 73 7.880 0.541 -2.136 1.00 0.00 N ATOM 1216 CA ARG A 73 9.265 0.183 -2.314 1.00 0.00 C ATOM 1217 C ARG A 73 9.958 0.235 -0.975 1.00 0.00 C ATOM 1218 O ARG A 73 9.735 1.155 -0.186 1.00 0.00 O ATOM 1219 CB ARG A 73 9.942 1.126 -3.303 1.00 0.00 C ATOM 1220 CG ARG A 73 11.274 0.624 -3.836 1.00 0.00 C ATOM 1221 CD ARG A 73 11.605 1.275 -5.168 1.00 0.00 C ATOM 1222 NE ARG A 73 12.931 0.903 -5.661 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.727 1.727 -6.349 1.00 0.00 C ATOM 1224 NH1 ARG A 73 13.346 2.973 -6.601 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.910 1.309 -6.776 1.00 0.00 N ATOM 0 H ARG A 73 7.591 1.386 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 73 9.329 -0.826 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.269 1.296 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.098 2.090 -2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.063 0.839 -3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.238 -0.459 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.854 0.989 -5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.551 2.359 -5.062 1.00 0.00 H new ATOM 0 HE ARG A 73 13.268 -0.040 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.441 3.307 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.958 3.597 -7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.215 0.356 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.515 1.941 -7.301 1.00 0.00 H new ATOM 1239 N LYS A 74 10.760 -0.771 -0.706 1.00 0.00 N ATOM 1240 CA LYS A 74 11.527 -0.807 0.525 1.00 0.00 C ATOM 1241 C LYS A 74 12.447 0.408 0.596 1.00 0.00 C ATOM 1242 O LYS A 74 12.596 1.141 -0.387 1.00 0.00 O ATOM 1243 CB LYS A 74 12.338 -2.110 0.610 1.00 0.00 C ATOM 1244 CG LYS A 74 11.463 -3.355 0.688 1.00 0.00 C ATOM 1245 CD LYS A 74 12.282 -4.634 0.789 1.00 0.00 C ATOM 1246 CE LYS A 74 11.373 -5.855 0.867 1.00 0.00 C ATOM 1247 NZ LYS A 74 12.129 -7.126 1.035 1.00 0.00 N ATOM 0 H LYS A 74 10.900 -1.574 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 74 10.843 -0.777 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.988 -2.184 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.984 -2.072 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.804 -3.279 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.825 -3.404 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.939 -4.719 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.920 -4.593 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.682 -5.735 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.771 -5.913 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.557 -7.800 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.340 -7.530 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.019 -6.937 1.539 1.00 0.00 H new ATOM 1261 N ASP A 75 13.094 0.600 1.740 1.00 0.00 N ATOM 1262 CA ASP A 75 14.042 1.704 1.930 1.00 0.00 C ATOM 1263 C ASP A 75 15.335 1.380 1.181 1.00 0.00 C ATOM 1264 O ASP A 75 16.419 1.865 1.487 1.00 0.00 O ATOM 1265 CB ASP A 75 14.292 1.919 3.427 1.00 0.00 C ATOM 1266 CG ASP A 75 15.018 3.211 3.745 1.00 0.00 C ATOM 1267 OD1 ASP A 75 14.994 4.141 2.916 1.00 0.00 O ATOM 1268 OD2 ASP A 75 15.594 3.315 4.853 1.00 0.00 O ATOM 0 H ASP A 75 12.981 0.003 2.559 1.00 0.00 H new ATOM 0 HA ASP A 75 13.634 2.631 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.336 1.912 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.873 1.082 3.813 1.00 0.00 H new ATOM 1273 N VAL A 76 15.141 0.601 0.129 1.00 0.00 N ATOM 1274 CA VAL A 76 16.175 0.038 -0.713 1.00 0.00 C ATOM 1275 C VAL A 76 16.761 1.128 -1.620 1.00 0.00 C ATOM 1276 O VAL A 76 17.592 0.874 -2.496 1.00 0.00 O ATOM 1277 CB VAL A 76 15.504 -1.087 -1.546 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.983 -0.579 -2.885 1.00 0.00 C ATOM 1279 CG2 VAL A 76 16.402 -2.292 -1.706 1.00 0.00 C ATOM 0 H VAL A 76 14.205 0.332 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 76 16.999 -0.366 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 76 14.635 -1.418 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.522 -1.402 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.243 0.203 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.811 -0.174 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.889 -3.052 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 76 17.320 -1.997 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.645 -2.698 -0.724 1.00 0.00 H new ATOM 1289 N ASP A 77 16.350 2.347 -1.322 1.00 0.00 N ATOM 1290 CA ASP A 77 16.556 3.517 -2.173 1.00 0.00 C ATOM 1291 C ASP A 77 15.692 4.652 -1.662 1.00 0.00 C ATOM 1292 O ASP A 77 16.121 5.801 -1.572 1.00 0.00 O ATOM 1293 CB ASP A 77 16.142 3.238 -3.621 1.00 0.00 C ATOM 1294 CG ASP A 77 16.411 4.412 -4.539 1.00 0.00 C ATOM 1295 OD1 ASP A 77 15.466 5.175 -4.831 1.00 0.00 O ATOM 1296 OD2 ASP A 77 17.568 4.580 -4.977 1.00 0.00 O ATOM 0 H ASP A 77 15.850 2.562 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 77 17.616 3.769 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.681 2.364 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.080 2.994 -3.651 1.00 0.00 H new ATOM 1301 N VAL A 78 14.459 4.301 -1.321 1.00 0.00 N ATOM 1302 CA VAL A 78 13.445 5.284 -0.992 1.00 0.00 C ATOM 1303 C VAL A 78 12.835 5.068 0.364 1.00 0.00 C ATOM 1304 O VAL A 78 12.581 3.942 0.774 1.00 0.00 O ATOM 1305 CB VAL A 78 12.290 5.283 -1.999 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.363 6.525 -2.836 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.282 4.026 -2.851 1.00 0.00 C ATOM 0 H VAL A 78 14.139 3.334 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 78 13.977 6.235 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 78 11.347 5.282 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.543 6.529 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.286 7.402 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.313 6.549 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.447 4.066 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.218 3.956 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.175 3.152 -2.209 1.00 0.00 H new ATOM 1317 N PRO A 79 12.550 6.165 1.057 1.00 0.00 N ATOM 1318 CA PRO A 79 11.802 6.125 2.282 1.00 0.00 C ATOM 1319 C PRO A 79 10.300 6.235 2.033 1.00 0.00 C ATOM 1320 O PRO A 79 9.516 6.479 2.954 1.00 0.00 O ATOM 1321 CB PRO A 79 12.322 7.338 3.040 1.00 0.00 C ATOM 1322 CG PRO A 79 12.758 8.308 1.992 1.00 0.00 C ATOM 1323 CD PRO A 79 12.967 7.531 0.717 1.00 0.00 C ATOM 0 HA PRO A 79 11.929 5.188 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.546 7.767 3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.152 7.067 3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.005 9.083 1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.679 8.809 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.371 7.938 -0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.009 7.562 0.398 1.00 0.00 H new ATOM 1331 N LYS A 80 9.903 6.032 0.785 1.00 0.00 N ATOM 1332 CA LYS A 80 8.505 6.127 0.397 1.00 0.00 C ATOM 1333 C LYS A 80 8.148 5.091 -0.654 1.00 0.00 C ATOM 1334 O LYS A 80 8.989 4.302 -1.083 1.00 0.00 O ATOM 1335 CB LYS A 80 8.165 7.522 -0.128 1.00 0.00 C ATOM 1336 CG LYS A 80 7.457 8.395 0.893 1.00 0.00 C ATOM 1337 CD LYS A 80 6.911 9.663 0.262 1.00 0.00 C ATOM 1338 CE LYS A 80 8.011 10.513 -0.356 1.00 0.00 C ATOM 1339 NZ LYS A 80 7.483 11.785 -0.912 1.00 0.00 N ATOM 0 H LYS A 80 10.535 5.799 0.019 1.00 0.00 H new ATOM 0 HA LYS A 80 7.917 5.935 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.083 8.017 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.535 7.426 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.641 7.834 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.150 8.655 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.182 9.401 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.384 10.246 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.767 10.733 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.505 9.948 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.264 12.335 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.780 11.576 -1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.034 12.336 -0.153 1.00 0.00 H new ATOM 1353 N MET A 81 6.891 5.113 -1.067 1.00 0.00 N ATOM 1354 CA MET A 81 6.393 4.178 -2.056 1.00 0.00 C ATOM 1355 C MET A 81 6.772 4.662 -3.443 1.00 0.00 C ATOM 1356 O MET A 81 6.371 5.750 -3.863 1.00 0.00 O ATOM 1357 CB MET A 81 4.870 4.044 -1.965 1.00 0.00 C ATOM 1358 CG MET A 81 4.334 3.972 -0.549 1.00 0.00 C ATOM 1359 SD MET A 81 2.541 4.117 -0.490 1.00 0.00 S ATOM 1360 CE MET A 81 2.333 5.780 -1.128 1.00 0.00 C ATOM 0 H MET A 81 6.194 5.775 -0.727 1.00 0.00 H new ATOM 0 HA MET A 81 6.839 3.202 -1.864 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.411 4.893 -2.472 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.563 3.147 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.635 3.027 -0.096 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.781 4.768 0.047 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.788 6.383 -0.402 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.311 6.226 -1.308 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.773 5.744 -2.063 1.00 0.00 H new ATOM 1370 N VAL A 82 7.572 3.870 -4.131 1.00 0.00 N ATOM 1371 CA VAL A 82 7.953 4.169 -5.508 1.00 0.00 C ATOM 1372 C VAL A 82 6.724 4.324 -6.407 1.00 0.00 C ATOM 1373 O VAL A 82 6.727 5.119 -7.345 1.00 0.00 O ATOM 1374 CB VAL A 82 8.869 3.070 -6.085 1.00 0.00 C ATOM 1375 CG1 VAL A 82 8.159 1.728 -6.085 1.00 0.00 C ATOM 1376 CG2 VAL A 82 9.341 3.426 -7.488 1.00 0.00 C ATOM 0 H VAL A 82 7.975 3.009 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 82 8.497 5.113 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 82 9.748 2.997 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.821 0.966 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.887 1.460 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.258 1.793 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.985 2.632 -7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.478 3.539 -8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.899 4.362 -7.458 1.00 0.00 H new ATOM 1386 N GLY A 83 5.669 3.574 -6.110 1.00 0.00 N ATOM 1387 CA GLY A 83 4.492 3.608 -6.944 1.00 0.00 C ATOM 1388 C GLY A 83 3.290 2.977 -6.280 1.00 0.00 C ATOM 1389 O GLY A 83 3.345 2.574 -5.117 1.00 0.00 O ATOM 0 H GLY A 83 5.612 2.946 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.261 4.643 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.699 3.089 -7.880 1.00 0.00 H new ATOM 1393 N ARG A 84 2.216 2.870 -7.035 1.00 0.00 N ATOM 1394 CA ARG A 84 0.966 2.323 -6.537 1.00 0.00 C ATOM 1395 C ARG A 84 0.003 2.156 -7.695 1.00 0.00 C ATOM 1396 O ARG A 84 -0.741 3.077 -8.034 1.00 0.00 O ATOM 1397 CB ARG A 84 0.336 3.234 -5.482 1.00 0.00 C ATOM 1398 CG ARG A 84 -0.868 2.612 -4.801 1.00 0.00 C ATOM 1399 CD ARG A 84 -1.965 3.633 -4.572 1.00 0.00 C ATOM 1400 NE ARG A 84 -2.616 4.024 -5.824 1.00 0.00 N ATOM 1401 CZ ARG A 84 -3.927 4.240 -5.946 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -4.722 4.130 -4.889 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -4.437 4.568 -7.124 1.00 0.00 N ATOM 0 H ARG A 84 2.183 3.160 -8.012 1.00 0.00 H new ATOM 0 HA ARG A 84 1.175 1.360 -6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.085 3.480 -4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.036 4.171 -5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.252 1.795 -5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.565 2.181 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.708 3.221 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.545 4.516 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.032 4.138 -6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.331 3.880 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.724 4.296 -4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.827 4.655 -7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.439 4.733 -7.218 1.00 0.00 H new ATOM 1417 N LYS A 85 0.029 0.993 -8.306 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.759 0.751 -9.495 1.00 0.00 C ATOM 1419 C LYS A 85 -1.918 -0.173 -9.165 1.00 0.00 C ATOM 1420 O LYS A 85 -1.731 -1.205 -8.520 1.00 0.00 O ATOM 1421 CB LYS A 85 0.112 0.115 -10.575 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.283 0.502 -11.985 1.00 0.00 C ATOM 1423 CD LYS A 85 0.498 -0.293 -13.010 1.00 0.00 C ATOM 1424 CE LYS A 85 0.218 0.195 -14.419 1.00 0.00 C ATOM 1425 NZ LYS A 85 0.862 1.505 -14.694 1.00 0.00 N ATOM 0 H LYS A 85 0.589 0.198 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.149 1.701 -9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.150 0.402 -10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.061 -0.969 -10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.350 0.333 -12.126 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.107 1.567 -12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.565 -0.212 -12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.237 -1.348 -12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.577 -0.543 -15.136 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.859 0.283 -14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.760 1.737 -15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.405 2.243 -14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.872 1.453 -14.451 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.111 0.194 -9.586 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.259 -0.661 -9.374 1.00 0.00 C ATOM 1441 C CYS A 86 -4.338 -1.680 -10.490 1.00 0.00 C ATOM 1442 O CYS A 86 -4.250 -1.340 -11.670 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.556 0.140 -9.309 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.405 1.709 -8.394 1.00 0.00 S ATOM 0 H CYS A 86 -3.309 1.069 -10.072 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.135 -1.165 -8.416 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.892 0.353 -10.324 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.327 -0.471 -8.839 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.488 -2.924 -10.110 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.566 -4.005 -11.062 1.00 0.00 C ATOM 1451 C ARG A 87 -5.738 -4.887 -10.694 1.00 0.00 C ATOM 1452 O ARG A 87 -5.601 -5.886 -9.995 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.254 -4.796 -11.128 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.199 -4.138 -12.010 1.00 0.00 C ATOM 1455 CD ARG A 87 -0.946 -4.994 -12.139 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.062 -4.515 -13.203 1.00 0.00 N ATOM 1457 CZ ARG A 87 0.712 -5.307 -13.948 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.662 -6.628 -13.806 1.00 0.00 N ATOM 1459 NH2 ARG A 87 1.523 -4.780 -14.855 1.00 0.00 N ATOM 0 H ARG A 87 -4.559 -3.216 -9.135 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.722 -3.599 -12.061 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.855 -4.910 -10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.460 -5.798 -11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.617 -3.956 -13.000 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.933 -3.167 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.407 -4.993 -11.192 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.231 -6.026 -12.342 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.036 -3.512 -13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.028 -7.044 -13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.257 -7.225 -14.380 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.556 -3.769 -14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.114 -5.386 -15.424 1.00 0.00 H new ATOM 1473 N LYS A 88 -6.902 -4.471 -11.150 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.144 -5.125 -10.801 1.00 0.00 C ATOM 1475 C LYS A 88 -8.446 -6.208 -11.832 1.00 0.00 C ATOM 1476 O LYS A 88 -9.562 -6.718 -11.924 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.263 -4.079 -10.760 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.374 -4.400 -9.782 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.567 -3.460 -9.930 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.434 -3.799 -11.139 1.00 0.00 C ATOM 1481 NZ LYS A 88 -11.814 -3.401 -12.432 1.00 0.00 N ATOM 0 H LYS A 88 -7.012 -3.670 -11.772 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.067 -5.593 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.832 -3.112 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.690 -3.980 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.703 -5.428 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.989 -4.336 -8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.175 -3.506 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.208 -2.435 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.627 -4.872 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.399 -3.302 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.554 -3.074 -13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.132 -2.633 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.322 -4.218 -12.847 1.00 0.00 H new ATOM 1495 N ASP A 89 -7.421 -6.548 -12.602 1.00 0.00 N ATOM 1496 CA ASP A 89 -7.540 -7.517 -13.682 1.00 0.00 C ATOM 1497 C ASP A 89 -6.292 -8.401 -13.741 1.00 0.00 C ATOM 1498 O ASP A 89 -6.229 -9.362 -14.506 1.00 0.00 O ATOM 1499 CB ASP A 89 -7.717 -6.763 -15.006 1.00 0.00 C ATOM 1500 CG ASP A 89 -8.092 -7.656 -16.170 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -9.302 -7.869 -16.390 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -7.184 -8.115 -16.892 1.00 0.00 O ATOM 0 H ASP A 89 -6.484 -6.160 -12.495 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.404 -8.158 -13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.487 -6.002 -14.880 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.790 -6.242 -15.244 1.00 0.00 H new ATOM 1507 N ASP A 90 -5.310 -8.085 -12.904 1.00 0.00 N ATOM 1508 CA ASP A 90 -4.006 -8.741 -12.961 1.00 0.00 C ATOM 1509 C ASP A 90 -3.370 -8.740 -11.575 1.00 0.00 C ATOM 1510 O ASP A 90 -3.671 -7.873 -10.761 1.00 0.00 O ATOM 1511 CB ASP A 90 -3.102 -7.994 -13.951 1.00 0.00 C ATOM 1512 CG ASP A 90 -1.850 -8.764 -14.317 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -1.759 -9.240 -15.467 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -0.950 -8.895 -13.468 1.00 0.00 O ATOM 0 H ASP A 90 -5.392 -7.376 -12.175 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.131 -9.771 -13.294 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.667 -7.780 -14.858 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.817 -7.034 -13.519 1.00 0.00 H new ATOM 1519 N ASP A 91 -2.500 -9.703 -11.298 1.00 0.00 N ATOM 1520 CA ASP A 91 -1.827 -9.749 -10.006 1.00 0.00 C ATOM 1521 C ASP A 91 -0.312 -9.722 -10.158 1.00 0.00 C ATOM 1522 O ASP A 91 0.349 -8.849 -9.600 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.241 -10.981 -9.206 1.00 0.00 C ATOM 1524 CG ASP A 91 -1.471 -11.097 -7.905 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.376 -10.089 -7.171 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -0.959 -12.196 -7.604 1.00 0.00 O ATOM 0 H ASP A 91 -2.246 -10.453 -11.941 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.135 -8.856 -9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.309 -10.933 -8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.076 -11.876 -9.806 1.00 0.00 H new ATOM 1531 N ASP A 92 0.236 -10.678 -10.902 1.00 0.00 N ATOM 1532 CA ASP A 92 1.685 -10.767 -11.075 1.00 0.00 C ATOM 1533 C ASP A 92 2.206 -9.561 -11.836 1.00 0.00 C ATOM 1534 O ASP A 92 1.995 -9.424 -13.042 1.00 0.00 O ATOM 1535 CB ASP A 92 2.091 -12.053 -11.795 1.00 0.00 C ATOM 1536 CG ASP A 92 1.801 -13.294 -10.982 1.00 0.00 C ATOM 1537 OD1 ASP A 92 0.988 -14.128 -11.432 1.00 0.00 O ATOM 1538 OD2 ASP A 92 2.377 -13.444 -9.884 1.00 0.00 O ATOM 0 H ASP A 92 -0.295 -11.398 -11.392 1.00 0.00 H new ATOM 0 HA ASP A 92 2.130 -10.783 -10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.562 -12.115 -12.746 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.156 -12.015 -12.025 1.00 0.00 H new ATOM 1543 N ASP A 93 2.893 -8.697 -11.120 1.00 0.00 N ATOM 1544 CA ASP A 93 3.348 -7.433 -11.662 1.00 0.00 C ATOM 1545 C ASP A 93 4.849 -7.425 -11.897 1.00 0.00 C ATOM 1546 O ASP A 93 5.554 -8.386 -11.576 1.00 0.00 O ATOM 1547 CB ASP A 93 2.968 -6.291 -10.721 1.00 0.00 C ATOM 1548 CG ASP A 93 3.133 -6.653 -9.256 1.00 0.00 C ATOM 1549 OD1 ASP A 93 2.165 -6.467 -8.489 1.00 0.00 O ATOM 1550 OD2 ASP A 93 4.212 -7.151 -8.870 1.00 0.00 O ATOM 0 H ASP A 93 3.152 -8.850 -10.145 1.00 0.00 H new ATOM 0 HA ASP A 93 2.858 -7.295 -12.626 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.584 -5.421 -10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.932 -6.005 -10.905 1.00 0.00 H new ATOM 1555 N ASP A 94 5.325 -6.325 -12.458 1.00 0.00 N ATOM 1556 CA ASP A 94 6.742 -6.146 -12.734 1.00 0.00 C ATOM 1557 C ASP A 94 7.243 -4.896 -12.030 1.00 0.00 C ATOM 1558 O ASP A 94 8.085 -4.962 -11.135 1.00 0.00 O ATOM 1559 CB ASP A 94 6.989 -6.015 -14.239 1.00 0.00 C ATOM 1560 CG ASP A 94 6.418 -7.167 -15.036 1.00 0.00 C ATOM 1561 OD1 ASP A 94 5.300 -7.025 -15.575 1.00 0.00 O ATOM 1562 OD2 ASP A 94 7.086 -8.217 -15.139 1.00 0.00 O ATOM 0 H ASP A 94 4.743 -5.534 -12.734 1.00 0.00 H new ATOM 0 HA ASP A 94 7.280 -7.020 -12.366 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.550 -5.083 -14.594 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.062 -5.951 -14.421 1.00 0.00 H new ATOM 1567 N GLY A 95 6.708 -3.754 -12.438 1.00 0.00 N ATOM 1568 CA GLY A 95 7.082 -2.501 -11.826 1.00 0.00 C ATOM 1569 C GLY A 95 5.991 -1.459 -11.950 1.00 0.00 C ATOM 1570 O GLY A 95 5.380 -1.314 -13.009 1.00 0.00 O ATOM 0 H GLY A 95 6.019 -3.676 -13.186 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.307 -2.666 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.994 -2.128 -12.293 1.00 0.00 H new ATOM 1574 N TYR A 96 5.737 -0.749 -10.860 1.00 0.00 N ATOM 1575 CA TYR A 96 4.769 0.334 -10.851 1.00 0.00 C ATOM 1576 C TYR A 96 5.516 1.642 -10.671 1.00 0.00 C ATOM 1577 O TYR A 96 5.034 2.685 -11.151 1.00 0.00 O ATOM 1578 CB TYR A 96 3.762 0.200 -9.703 1.00 0.00 C ATOM 1579 CG TYR A 96 2.942 -1.077 -9.652 1.00 0.00 C ATOM 1580 CD1 TYR A 96 2.815 -1.938 -10.739 1.00 0.00 C ATOM 1581 CD2 TYR A 96 2.259 -1.398 -8.487 1.00 0.00 C ATOM 1582 CE1 TYR A 96 2.034 -3.076 -10.656 1.00 0.00 C ATOM 1583 CE2 TYR A 96 1.483 -2.528 -8.399 1.00 0.00 C ATOM 1584 CZ TYR A 96 1.371 -3.366 -9.481 1.00 0.00 C ATOM 1585 OH TYR A 96 0.589 -4.494 -9.390 1.00 0.00 O ATOM 1586 OXT TYR A 96 6.598 1.609 -10.036 1.00 0.00 O ATOM 0 H TYR A 96 6.194 -0.908 -9.962 1.00 0.00 H new ATOM 0 HA TYR A 96 4.220 0.302 -11.792 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.306 0.291 -8.763 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.073 1.043 -9.756 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.334 -1.714 -11.659 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.340 -0.745 -7.631 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.943 -3.735 -11.507 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.962 -2.757 -7.481 1.00 0.00 H new ATOM 0 HH TYR A 96 1.104 -5.217 -8.974 1.00 0.00 H new TER 1596 TYR A 96