USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 816 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 18 LYS NZ :NH3+ 151:sc= 0.979 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= 0.85 K(o=1.8,f=-2) USER MOD Single : A 1 GLU N :NH3+ -144:sc= 0.15 (180deg=-0.247) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= -0.0129 (180deg=-0.117) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0802) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= 1.02 (180deg=0.789) USER MOD Single : A 10 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.14) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= -0.017 (180deg=-0.107) USER MOD Single : A 13 GLN : amide:sc= 1.01 K(o=1,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 1.05 (180deg=0.311) USER MOD Single : A 22 THR OG1 : rot 4:sc= 1.1 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-0.71) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 71:sc= 0.965 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.145 USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= -0.333 (180deg=-2.03!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= 1.29 (180deg=1.16) USER MOD Single : A 48 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.3) USER MOD Single : A 51 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 60 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= 2.57 (180deg=1.56) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0749 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc=-0.00554 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= 0.777 (180deg=-0.0578!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.611 -3.132 33.263 1.00 0.00 N ATOM 2 CA GLU A 1 -14.074 -4.337 33.877 1.00 0.00 C ATOM 3 C GLU A 1 -12.654 -4.023 34.331 1.00 0.00 C ATOM 4 O GLU A 1 -12.220 -2.873 34.208 1.00 0.00 O ATOM 5 CB GLU A 1 -14.088 -5.486 32.860 1.00 0.00 C ATOM 6 CG GLU A 1 -15.442 -5.702 32.191 1.00 0.00 C ATOM 7 CD GLU A 1 -16.560 -5.933 33.172 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.054 -4.958 33.765 1.00 0.00 O ATOM 9 OE2 GLU A 1 -16.990 -7.090 33.345 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.624 -3.051 33.486 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.107 -2.300 33.632 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.486 -3.183 32.232 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.676 -4.647 34.731 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.341 -5.287 32.091 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.791 -6.407 33.362 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -15.680 -4.833 31.578 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.375 -6.557 31.519 1.00 0.00 H new ATOM 18 N LYS A 2 -11.926 -5.009 34.834 1.00 0.00 N ATOM 19 CA LYS A 2 -10.572 -4.783 35.346 1.00 0.00 C ATOM 20 C LYS A 2 -9.522 -4.917 34.257 1.00 0.00 C ATOM 21 O LYS A 2 -8.318 -4.760 34.511 1.00 0.00 O ATOM 22 CB LYS A 2 -10.248 -5.725 36.508 1.00 0.00 C ATOM 23 CG LYS A 2 -11.033 -5.442 37.774 1.00 0.00 C ATOM 24 CD LYS A 2 -10.668 -6.400 38.897 1.00 0.00 C ATOM 25 CE LYS A 2 -9.189 -6.330 39.260 1.00 0.00 C ATOM 26 NZ LYS A 2 -8.867 -7.232 40.381 1.00 0.00 N ATOM 0 H LYS A 2 -12.245 -5.975 34.901 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.547 -3.757 35.713 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.443 -6.751 36.195 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.183 -5.656 36.731 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.845 -4.418 38.096 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.100 -5.519 37.564 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.267 -6.169 39.778 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.919 -7.418 38.599 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.587 -6.597 38.392 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.926 -5.306 39.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.854 -7.161 40.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.425 -6.961 41.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.095 -8.211 40.115 1.00 0.00 H new ATOM 40 N LYS A 3 -9.959 -5.194 33.066 1.00 0.00 N ATOM 41 CA LYS A 3 -9.069 -5.309 31.949 1.00 0.00 C ATOM 42 C LYS A 3 -9.759 -4.802 30.716 1.00 0.00 C ATOM 43 O LYS A 3 -11.002 -4.731 30.673 1.00 0.00 O ATOM 44 CB LYS A 3 -8.638 -6.768 31.736 1.00 0.00 C ATOM 45 CG LYS A 3 -9.780 -7.721 31.396 1.00 0.00 C ATOM 46 CD LYS A 3 -9.263 -9.121 31.164 1.00 0.00 C ATOM 47 CE LYS A 3 -10.379 -10.090 30.821 1.00 0.00 C ATOM 48 NZ LYS A 3 -11.082 -9.747 29.569 1.00 0.00 N ATOM 0 H LYS A 3 -10.942 -5.347 32.840 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.177 -4.716 32.150 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.901 -6.803 30.933 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.142 -7.123 32.639 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.507 -7.728 32.208 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.300 -7.369 30.505 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.533 -9.108 30.355 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.743 -9.468 32.057 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.965 -11.095 30.734 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.098 -10.111 31.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.726 -10.521 29.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.629 -8.873 29.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.387 -9.604 28.809 1.00 0.00 H new ATOM 62 N GLU A 4 -8.983 -4.436 29.742 1.00 0.00 N ATOM 63 CA GLU A 4 -9.507 -4.044 28.471 1.00 0.00 C ATOM 64 C GLU A 4 -9.520 -5.267 27.583 1.00 0.00 C ATOM 65 O GLU A 4 -8.976 -6.329 27.954 1.00 0.00 O ATOM 66 CB GLU A 4 -8.678 -2.928 27.799 1.00 0.00 C ATOM 67 CG GLU A 4 -8.683 -1.565 28.494 1.00 0.00 C ATOM 68 CD GLU A 4 -7.920 -1.532 29.789 1.00 0.00 C ATOM 69 OE1 GLU A 4 -6.668 -1.558 29.748 1.00 0.00 O ATOM 70 OE2 GLU A 4 -8.533 -1.471 30.866 1.00 0.00 O ATOM 0 H GLU A 4 -7.966 -4.401 29.807 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.508 -3.640 28.621 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.645 -3.269 27.722 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.046 -2.794 26.782 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.260 -0.823 27.817 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.715 -1.271 28.685 1.00 0.00 H new ATOM 77 N GLN A 5 -10.123 -5.148 26.446 1.00 0.00 N ATOM 78 CA GLN A 5 -10.197 -6.231 25.514 1.00 0.00 C ATOM 79 C GLN A 5 -9.533 -5.838 24.239 1.00 0.00 C ATOM 80 O GLN A 5 -9.368 -4.642 23.955 1.00 0.00 O ATOM 81 CB GLN A 5 -11.642 -6.601 25.210 1.00 0.00 C ATOM 82 CG GLN A 5 -12.435 -7.098 26.388 1.00 0.00 C ATOM 83 CD GLN A 5 -13.844 -7.443 26.000 1.00 0.00 C ATOM 84 OE1 GLN A 5 -14.135 -8.573 25.621 1.00 0.00 O ATOM 85 NE2 GLN A 5 -14.719 -6.492 26.066 1.00 0.00 N ATOM 0 H GLN A 5 -10.582 -4.292 26.133 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.697 -7.091 25.960 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.145 -5.727 24.796 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.649 -7.369 24.437 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.948 -7.977 26.811 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.448 -6.335 27.167 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.441 -5.564 26.386 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.687 -6.670 25.798 1.00 0.00 H new ATOM 94 N LYS A 6 -9.153 -6.813 23.480 1.00 0.00 N ATOM 95 CA LYS A 6 -8.632 -6.579 22.171 1.00 0.00 C ATOM 96 C LYS A 6 -9.799 -6.593 21.215 1.00 0.00 C ATOM 97 O LYS A 6 -10.289 -7.651 20.789 1.00 0.00 O ATOM 98 CB LYS A 6 -7.554 -7.603 21.808 1.00 0.00 C ATOM 99 CG LYS A 6 -6.350 -7.539 22.740 1.00 0.00 C ATOM 100 CD LYS A 6 -5.649 -6.187 22.644 1.00 0.00 C ATOM 101 CE LYS A 6 -4.578 -6.017 23.715 1.00 0.00 C ATOM 102 NZ LYS A 6 -5.153 -5.883 25.078 1.00 0.00 N ATOM 0 H LYS A 6 -9.195 -7.796 23.749 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.133 -5.611 22.118 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.983 -8.605 21.842 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.225 -7.432 20.783 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.672 -7.712 23.767 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.649 -8.334 22.487 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.195 -6.084 21.659 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.386 -5.390 22.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.905 -6.874 23.691 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.979 -5.135 23.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.405 -5.602 25.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.900 -5.159 25.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.557 -6.794 25.375 1.00 0.00 H new ATOM 116 N GLU A 7 -10.289 -5.424 20.968 1.00 0.00 N ATOM 117 CA GLU A 7 -11.476 -5.213 20.204 1.00 0.00 C ATOM 118 C GLU A 7 -11.091 -4.850 18.797 1.00 0.00 C ATOM 119 O GLU A 7 -11.354 -5.592 17.847 1.00 0.00 O ATOM 120 CB GLU A 7 -12.246 -4.064 20.840 1.00 0.00 C ATOM 121 CG GLU A 7 -12.459 -4.229 22.334 1.00 0.00 C ATOM 122 CD GLU A 7 -13.024 -3.000 22.963 1.00 0.00 C ATOM 123 OE1 GLU A 7 -14.249 -2.858 23.002 1.00 0.00 O ATOM 124 OE2 GLU A 7 -12.237 -2.131 23.431 1.00 0.00 O ATOM 0 H GLU A 7 -9.861 -4.561 21.303 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.092 -6.112 20.186 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.709 -3.133 20.659 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.216 -3.973 20.351 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.131 -5.068 22.513 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.509 -4.474 22.810 1.00 0.00 H new ATOM 131 N LYS A 8 -10.421 -3.731 18.694 1.00 0.00 N ATOM 132 CA LYS A 8 -9.960 -3.173 17.450 1.00 0.00 C ATOM 133 C LYS A 8 -9.214 -1.922 17.779 1.00 0.00 C ATOM 134 O LYS A 8 -8.109 -1.688 17.268 1.00 0.00 O ATOM 135 CB LYS A 8 -11.128 -2.836 16.497 1.00 0.00 C ATOM 136 CG LYS A 8 -10.725 -2.318 15.099 1.00 0.00 C ATOM 137 CD LYS A 8 -10.057 -3.393 14.227 1.00 0.00 C ATOM 138 CE LYS A 8 -8.629 -3.736 14.659 1.00 0.00 C ATOM 139 NZ LYS A 8 -7.671 -2.647 14.386 1.00 0.00 N ATOM 0 H LYS A 8 -10.173 -3.163 19.504 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.331 -3.902 16.940 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.739 -3.730 16.371 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.757 -2.085 16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.612 -1.943 14.588 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.043 -1.476 15.213 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.663 -4.299 14.255 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.042 -3.051 13.192 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.621 -3.961 15.725 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.304 -4.638 14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.812 -2.790 14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.423 -2.648 13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.103 -1.734 14.635 1.00 0.00 H new ATOM 153 N GLU A 9 -9.855 -1.113 18.629 1.00 0.00 N ATOM 154 CA GLU A 9 -9.339 0.139 19.156 1.00 0.00 C ATOM 155 C GLU A 9 -9.337 1.198 18.059 1.00 0.00 C ATOM 156 O GLU A 9 -10.154 2.120 18.074 1.00 0.00 O ATOM 157 CB GLU A 9 -7.955 -0.062 19.770 1.00 0.00 C ATOM 158 CG GLU A 9 -7.455 1.073 20.612 1.00 0.00 C ATOM 159 CD GLU A 9 -6.086 0.782 21.128 1.00 0.00 C ATOM 160 OE1 GLU A 9 -5.934 -0.120 21.992 1.00 0.00 O ATOM 161 OE2 GLU A 9 -5.123 1.420 20.660 1.00 0.00 O ATOM 0 H GLU A 9 -10.788 -1.329 18.979 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.989 0.491 19.957 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.975 -0.964 20.381 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.241 -0.237 18.965 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.440 1.990 20.023 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.136 1.241 21.447 1.00 0.00 H new ATOM 168 N LYS A 10 -8.487 1.027 17.087 1.00 0.00 N ATOM 169 CA LYS A 10 -8.412 1.921 15.980 1.00 0.00 C ATOM 170 C LYS A 10 -8.546 1.073 14.723 1.00 0.00 C ATOM 171 O LYS A 10 -7.866 0.050 14.577 1.00 0.00 O ATOM 172 CB LYS A 10 -7.079 2.698 16.017 1.00 0.00 C ATOM 173 CG LYS A 10 -7.173 4.163 15.558 1.00 0.00 C ATOM 174 CD LYS A 10 -7.457 4.326 14.076 1.00 0.00 C ATOM 175 CE LYS A 10 -6.270 3.915 13.237 1.00 0.00 C ATOM 176 NZ LYS A 10 -6.524 4.091 11.801 1.00 0.00 N ATOM 0 H LYS A 10 -7.823 0.254 17.046 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.205 2.668 16.007 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.690 2.675 17.035 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.355 2.180 15.387 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.959 4.662 16.126 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.237 4.669 15.797 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.324 3.724 13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.711 5.365 13.865 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.400 4.505 13.526 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.029 2.871 13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.619 4.164 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.057 3.274 11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.076 4.959 11.650 1.00 0.00 H new ATOM 190 N LYS A 11 -9.459 1.442 13.881 1.00 0.00 N ATOM 191 CA LYS A 11 -9.747 0.715 12.663 1.00 0.00 C ATOM 192 C LYS A 11 -8.696 0.991 11.594 1.00 0.00 C ATOM 193 O LYS A 11 -8.405 2.155 11.267 1.00 0.00 O ATOM 194 CB LYS A 11 -11.147 1.098 12.165 1.00 0.00 C ATOM 195 CG LYS A 11 -11.591 0.420 10.877 1.00 0.00 C ATOM 196 CD LYS A 11 -13.006 0.840 10.525 1.00 0.00 C ATOM 197 CE LYS A 11 -13.496 0.218 9.225 1.00 0.00 C ATOM 198 NZ LYS A 11 -13.463 -1.258 9.246 1.00 0.00 N ATOM 0 H LYS A 11 -10.041 2.269 14.013 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.720 -0.354 12.874 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.869 0.863 12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.178 2.177 12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.913 0.684 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.543 -0.663 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.677 0.555 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.049 1.926 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.516 0.551 9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.880 0.578 8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.931 -1.628 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.475 -1.583 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.960 -1.604 10.092 1.00 0.00 H new ATOM 212 N GLU A 12 -8.119 -0.059 11.071 1.00 0.00 N ATOM 213 CA GLU A 12 -7.156 0.048 10.005 1.00 0.00 C ATOM 214 C GLU A 12 -7.808 -0.435 8.735 1.00 0.00 C ATOM 215 O GLU A 12 -9.001 -0.726 8.712 1.00 0.00 O ATOM 216 CB GLU A 12 -5.938 -0.846 10.269 1.00 0.00 C ATOM 217 CG GLU A 12 -5.201 -0.567 11.553 1.00 0.00 C ATOM 218 CD GLU A 12 -4.600 0.806 11.576 1.00 0.00 C ATOM 219 OE1 GLU A 12 -4.090 1.266 10.526 1.00 0.00 O ATOM 220 OE2 GLU A 12 -4.590 1.435 12.640 1.00 0.00 O ATOM 0 H GLU A 12 -8.304 -1.016 11.373 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.830 1.086 9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.266 -1.886 10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.241 -0.737 9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.886 -0.676 12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.413 -1.309 11.686 1.00 0.00 H new ATOM 227 N GLN A 13 -7.023 -0.544 7.701 1.00 0.00 N ATOM 228 CA GLN A 13 -7.433 -1.135 6.449 1.00 0.00 C ATOM 229 C GLN A 13 -7.370 -2.688 6.576 1.00 0.00 C ATOM 230 O GLN A 13 -7.714 -3.426 5.649 1.00 0.00 O ATOM 231 CB GLN A 13 -6.583 -0.577 5.279 1.00 0.00 C ATOM 232 CG GLN A 13 -6.977 -1.078 3.891 1.00 0.00 C ATOM 233 CD GLN A 13 -6.190 -0.431 2.761 1.00 0.00 C ATOM 234 OE1 GLN A 13 -5.042 -0.009 2.929 1.00 0.00 O ATOM 235 NE2 GLN A 13 -6.795 -0.363 1.600 1.00 0.00 N ATOM 0 H GLN A 13 -6.056 -0.218 7.700 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.464 -0.867 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.652 0.511 5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.538 -0.832 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.834 -2.158 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.040 -0.891 3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.744 -0.722 1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.316 0.049 0.799 1.00 0.00 H new ATOM 244 N GLU A 14 -6.917 -3.133 7.779 1.00 0.00 N ATOM 245 CA GLU A 14 -6.664 -4.542 8.174 1.00 0.00 C ATOM 246 C GLU A 14 -5.297 -4.953 7.707 1.00 0.00 C ATOM 247 O GLU A 14 -4.995 -6.127 7.558 1.00 0.00 O ATOM 248 CB GLU A 14 -7.737 -5.541 7.692 1.00 0.00 C ATOM 249 CG GLU A 14 -9.129 -5.328 8.264 1.00 0.00 C ATOM 250 CD GLU A 14 -10.065 -6.434 7.854 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.624 -6.384 6.728 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.245 -7.403 8.633 1.00 0.00 O ATOM 0 H GLU A 14 -6.708 -2.483 8.537 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.718 -4.576 9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.797 -5.487 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.409 -6.550 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.074 -5.280 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.522 -4.371 7.922 1.00 0.00 H new ATOM 259 N ILE A 15 -4.424 -3.974 7.638 1.00 0.00 N ATOM 260 CA ILE A 15 -3.136 -4.157 7.032 1.00 0.00 C ATOM 261 C ILE A 15 -2.082 -4.648 8.018 1.00 0.00 C ATOM 262 O ILE A 15 -1.199 -5.432 7.664 1.00 0.00 O ATOM 263 CB ILE A 15 -2.646 -2.854 6.370 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.485 -1.760 7.405 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.646 -2.413 5.329 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.250 -0.942 7.187 1.00 0.00 C ATOM 0 H ILE A 15 -4.591 -3.035 8.000 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.269 -4.929 6.274 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.679 -3.041 5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.358 -1.108 7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.450 -2.207 8.399 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.301 -1.492 4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.749 -3.190 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.612 -2.239 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.183 -0.172 7.956 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.373 -1.586 7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.294 -0.471 6.205 1.00 0.00 H new ATOM 278 N LYS A 16 -2.201 -4.243 9.255 1.00 0.00 N ATOM 279 CA LYS A 16 -1.189 -4.542 10.226 1.00 0.00 C ATOM 280 C LYS A 16 -1.477 -5.831 10.947 1.00 0.00 C ATOM 281 O LYS A 16 -0.646 -6.338 11.685 1.00 0.00 O ATOM 282 CB LYS A 16 -0.920 -3.342 11.143 1.00 0.00 C ATOM 283 CG LYS A 16 -2.145 -2.768 11.808 1.00 0.00 C ATOM 284 CD LYS A 16 -1.861 -1.423 12.451 1.00 0.00 C ATOM 285 CE LYS A 16 -0.868 -1.520 13.605 1.00 0.00 C ATOM 286 NZ LYS A 16 -0.572 -0.199 14.211 1.00 0.00 N ATOM 0 H LYS A 16 -2.991 -3.705 9.612 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.248 -4.717 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.212 -3.644 11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.439 -2.557 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.940 -2.657 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.507 -3.463 12.565 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.470 -0.740 11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.795 -0.995 12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.268 -2.186 14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.059 -1.968 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.107 -0.319 14.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.165 0.430 13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.450 0.219 14.579 1.00 0.00 H new ATOM 300 N LYS A 17 -2.643 -6.349 10.730 1.00 0.00 N ATOM 301 CA LYS A 17 -2.964 -7.676 11.180 1.00 0.00 C ATOM 302 C LYS A 17 -2.653 -8.637 10.020 1.00 0.00 C ATOM 303 O LYS A 17 -2.343 -9.816 10.223 1.00 0.00 O ATOM 304 CB LYS A 17 -4.457 -7.730 11.622 1.00 0.00 C ATOM 305 CG LYS A 17 -4.957 -9.052 12.235 1.00 0.00 C ATOM 306 CD LYS A 17 -5.281 -10.115 11.189 1.00 0.00 C ATOM 307 CE LYS A 17 -5.715 -11.414 11.839 1.00 0.00 C ATOM 308 NZ LYS A 17 -6.145 -12.415 10.841 1.00 0.00 N ATOM 0 H LYS A 17 -3.399 -5.872 10.239 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.374 -7.968 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.624 -6.935 12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.076 -7.504 10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.198 -9.440 12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.848 -8.855 12.831 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.072 -9.753 10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.405 -10.293 10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.891 -11.819 12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.534 -11.217 12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.434 -13.288 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.948 -12.040 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.356 -12.623 10.196 1.00 0.00 H new ATOM 322 N LYS A 18 -2.667 -8.095 8.807 1.00 0.00 N ATOM 323 CA LYS A 18 -2.453 -8.882 7.613 1.00 0.00 C ATOM 324 C LYS A 18 -0.965 -9.077 7.378 1.00 0.00 C ATOM 325 O LYS A 18 -0.490 -10.207 7.309 1.00 0.00 O ATOM 326 CB LYS A 18 -3.031 -8.164 6.410 1.00 0.00 C ATOM 327 CG LYS A 18 -3.211 -9.025 5.163 1.00 0.00 C ATOM 328 CD LYS A 18 -4.523 -9.804 5.191 1.00 0.00 C ATOM 329 CE LYS A 18 -5.727 -8.853 5.249 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.010 -9.554 5.053 1.00 0.00 N ATOM 0 H LYS A 18 -2.827 -7.103 8.631 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.941 -9.847 7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.999 -7.747 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.382 -7.325 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.185 -8.390 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.377 -9.722 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.595 -10.434 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.537 -10.468 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.738 -8.344 6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.616 -8.084 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.764 -9.046 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.235 -9.588 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.937 -10.523 5.424 1.00 0.00 H new ATOM 344 N PHE A 19 -0.227 -7.970 7.242 1.00 0.00 N ATOM 345 CA PHE A 19 1.175 -8.065 6.950 1.00 0.00 C ATOM 346 C PHE A 19 1.964 -8.057 8.249 1.00 0.00 C ATOM 347 O PHE A 19 2.983 -8.731 8.354 1.00 0.00 O ATOM 348 CB PHE A 19 1.595 -6.889 6.056 1.00 0.00 C ATOM 349 CG PHE A 19 2.913 -7.064 5.345 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.112 -6.982 6.023 1.00 0.00 C ATOM 351 CD2 PHE A 19 2.942 -7.289 3.989 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.307 -7.126 5.364 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.139 -7.424 3.327 1.00 0.00 C ATOM 354 CZ PHE A 19 5.329 -7.340 4.015 1.00 0.00 C ATOM 0 H PHE A 19 -0.586 -7.019 7.331 1.00 0.00 H new ATOM 0 HA PHE A 19 1.380 -8.996 6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.817 -6.724 5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.647 -5.988 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.110 -6.802 7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.015 -7.360 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.234 -7.070 5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.146 -7.597 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.269 -7.442 3.494 1.00 0.00 H new ATOM 364 N LYS A 20 1.446 -7.304 9.238 1.00 0.00 N ATOM 365 CA LYS A 20 2.095 -7.112 10.545 1.00 0.00 C ATOM 366 C LYS A 20 3.267 -6.159 10.425 1.00 0.00 C ATOM 367 O LYS A 20 4.378 -6.533 10.034 1.00 0.00 O ATOM 368 CB LYS A 20 2.487 -8.440 11.228 1.00 0.00 C ATOM 369 CG LYS A 20 3.370 -8.287 12.450 1.00 0.00 C ATOM 370 CD LYS A 20 3.832 -9.633 12.964 1.00 0.00 C ATOM 371 CE LYS A 20 4.953 -9.478 13.972 1.00 0.00 C ATOM 372 NZ LYS A 20 6.137 -8.814 13.372 1.00 0.00 N ATOM 0 H LYS A 20 0.559 -6.809 9.150 1.00 0.00 H new ATOM 0 HA LYS A 20 1.357 -6.657 11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.577 -8.966 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.001 -9.069 10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.236 -7.673 12.202 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.823 -7.764 13.234 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.994 -10.156 13.425 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.171 -10.247 12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.600 -8.895 14.823 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.239 -10.458 14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.005 -9.248 13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.111 -8.926 12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.126 -7.802 13.611 1.00 0.00 H new ATOM 386 N LEU A 21 2.989 -4.909 10.674 1.00 0.00 N ATOM 387 CA LEU A 21 3.985 -3.880 10.568 1.00 0.00 C ATOM 388 C LEU A 21 4.548 -3.496 11.925 1.00 0.00 C ATOM 389 O LEU A 21 5.701 -3.074 12.033 1.00 0.00 O ATOM 390 CB LEU A 21 3.465 -2.655 9.809 1.00 0.00 C ATOM 391 CG LEU A 21 2.948 -2.899 8.363 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.810 -3.901 7.634 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.484 -3.322 8.310 1.00 0.00 C ATOM 0 H LEU A 21 2.067 -4.576 10.956 1.00 0.00 H new ATOM 0 HA LEU A 21 4.805 -4.296 9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.656 -2.213 10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.266 -1.917 9.764 1.00 0.00 H new ATOM 0 HG LEU A 21 3.017 -1.936 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.422 -4.050 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.833 -3.528 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.798 -4.850 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.187 -3.476 7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.353 -4.250 8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.864 -2.543 8.753 1.00 0.00 H new ATOM 405 N THR A 22 3.719 -3.653 12.956 1.00 0.00 N ATOM 406 CA THR A 22 4.014 -3.368 14.380 1.00 0.00 C ATOM 407 C THR A 22 4.281 -1.885 14.733 1.00 0.00 C ATOM 408 O THR A 22 3.845 -1.407 15.792 1.00 0.00 O ATOM 409 CB THR A 22 5.068 -4.324 15.009 1.00 0.00 C ATOM 410 OG1 THR A 22 6.326 -4.264 14.311 1.00 0.00 O ATOM 411 CG2 THR A 22 4.550 -5.741 14.959 1.00 0.00 C ATOM 0 H THR A 22 2.769 -4.001 12.825 1.00 0.00 H new ATOM 0 HA THR A 22 3.061 -3.590 14.861 1.00 0.00 H new ATOM 0 HB THR A 22 5.232 -4.008 16.039 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.281 -3.577 13.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.286 -6.413 15.399 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.617 -5.807 15.519 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.372 -6.027 13.922 1.00 0.00 H new ATOM 419 N GLY A 23 4.959 -1.171 13.878 1.00 0.00 N ATOM 420 CA GLY A 23 5.217 0.218 14.111 1.00 0.00 C ATOM 421 C GLY A 23 4.917 1.013 12.873 1.00 0.00 C ATOM 422 O GLY A 23 4.778 0.417 11.801 1.00 0.00 O ATOM 0 H GLY A 23 5.345 -1.535 13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.605 0.576 14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.259 0.359 14.400 1.00 0.00 H new ATOM 426 N PRO A 24 4.748 2.341 12.986 1.00 0.00 N ATOM 427 CA PRO A 24 4.523 3.208 11.833 1.00 0.00 C ATOM 428 C PRO A 24 5.738 3.205 10.926 1.00 0.00 C ATOM 429 O PRO A 24 6.849 3.600 11.338 1.00 0.00 O ATOM 430 CB PRO A 24 4.319 4.605 12.445 1.00 0.00 C ATOM 431 CG PRO A 24 4.033 4.363 13.884 1.00 0.00 C ATOM 432 CD PRO A 24 4.740 3.095 14.243 1.00 0.00 C ATOM 0 HA PRO A 24 3.676 2.887 11.227 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.208 5.224 12.319 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.494 5.130 11.963 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.387 5.193 14.496 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.961 4.273 14.058 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.751 3.287 14.603 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.218 2.554 15.032 1.00 0.00 H new ATOM 440 N ILE A 25 5.552 2.746 9.733 1.00 0.00 N ATOM 441 CA ILE A 25 6.630 2.627 8.797 1.00 0.00 C ATOM 442 C ILE A 25 6.488 3.651 7.662 1.00 0.00 C ATOM 443 O ILE A 25 5.366 3.973 7.228 1.00 0.00 O ATOM 444 CB ILE A 25 6.761 1.161 8.258 1.00 0.00 C ATOM 445 CG1 ILE A 25 7.990 0.993 7.358 1.00 0.00 C ATOM 446 CG2 ILE A 25 5.494 0.702 7.541 1.00 0.00 C ATOM 447 CD1 ILE A 25 9.308 1.261 8.061 1.00 0.00 C ATOM 0 H ILE A 25 4.647 2.441 9.375 1.00 0.00 H new ATOM 0 HA ILE A 25 7.559 2.853 9.321 1.00 0.00 H new ATOM 0 HB ILE A 25 6.897 0.520 9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.001 -0.022 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.900 1.668 6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.628 -0.319 7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.652 0.737 8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.296 1.360 6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.130 1.122 7.359 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.320 2.285 8.435 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.423 0.569 8.895 1.00 0.00 H new ATOM 459 N GLN A 26 7.607 4.210 7.257 1.00 0.00 N ATOM 460 CA GLN A 26 7.656 5.177 6.185 1.00 0.00 C ATOM 461 C GLN A 26 8.058 4.475 4.893 1.00 0.00 C ATOM 462 O GLN A 26 8.397 3.284 4.902 1.00 0.00 O ATOM 463 CB GLN A 26 8.688 6.267 6.490 1.00 0.00 C ATOM 464 CG GLN A 26 10.123 5.772 6.439 1.00 0.00 C ATOM 465 CD GLN A 26 11.132 6.855 6.722 1.00 0.00 C ATOM 466 OE1 GLN A 26 11.510 7.093 7.873 1.00 0.00 O ATOM 467 NE2 GLN A 26 11.573 7.514 5.688 1.00 0.00 N ATOM 0 H GLN A 26 8.518 4.003 7.668 1.00 0.00 H new ATOM 0 HA GLN A 26 6.671 5.633 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.567 7.081 5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.489 6.679 7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.250 4.967 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.320 5.348 5.454 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.233 7.284 4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.258 8.260 5.813 1.00 0.00 H new ATOM 476 N VAL A 27 8.065 5.213 3.816 1.00 0.00 N ATOM 477 CA VAL A 27 8.441 4.690 2.529 1.00 0.00 C ATOM 478 C VAL A 27 9.934 4.486 2.426 1.00 0.00 C ATOM 479 O VAL A 27 10.744 5.368 2.772 1.00 0.00 O ATOM 480 CB VAL A 27 7.974 5.615 1.406 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.540 5.203 0.070 1.00 0.00 C ATOM 482 CG2 VAL A 27 6.497 5.605 1.342 1.00 0.00 C ATOM 0 H VAL A 27 7.809 6.200 3.806 1.00 0.00 H new ATOM 0 HA VAL A 27 7.951 3.722 2.423 1.00 0.00 H new ATOM 0 HB VAL A 27 8.335 6.620 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.184 5.885 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.629 5.236 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.216 4.189 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.163 6.265 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.148 4.591 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.089 5.952 2.292 1.00 0.00 H new ATOM 492 N ILE A 28 10.282 3.353 1.932 1.00 0.00 N ATOM 493 CA ILE A 28 11.646 2.976 1.746 1.00 0.00 C ATOM 494 C ILE A 28 12.071 3.212 0.289 1.00 0.00 C ATOM 495 O ILE A 28 13.215 3.588 0.024 1.00 0.00 O ATOM 496 CB ILE A 28 11.853 1.488 2.121 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.409 1.251 3.571 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.306 1.076 1.930 1.00 0.00 C ATOM 499 CD1 ILE A 28 11.533 -0.179 4.029 1.00 0.00 C ATOM 0 H ILE A 28 9.614 2.641 1.637 1.00 0.00 H new ATOM 0 HA ILE A 28 12.264 3.592 2.399 1.00 0.00 H new ATOM 0 HB ILE A 28 11.243 0.873 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.004 1.884 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.371 1.566 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.425 0.027 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.590 1.217 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.945 1.689 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.199 -0.260 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.916 -0.818 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.574 -0.495 3.958 1.00 0.00 H new ATOM 511 N HIS A 29 11.133 3.060 -0.641 1.00 0.00 N ATOM 512 CA HIS A 29 11.443 3.134 -2.096 1.00 0.00 C ATOM 513 C HIS A 29 10.181 3.350 -2.853 1.00 0.00 C ATOM 514 O HIS A 29 9.090 3.132 -2.322 1.00 0.00 O ATOM 515 CB HIS A 29 12.089 1.833 -2.674 1.00 0.00 C ATOM 516 CG HIS A 29 13.512 1.532 -2.284 1.00 0.00 C ATOM 517 ND1 HIS A 29 13.874 0.414 -1.567 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.664 2.182 -2.555 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.177 0.397 -1.414 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.679 1.454 -2.001 1.00 0.00 N ATOM 0 H HIS A 29 10.150 2.885 -0.431 1.00 0.00 H new ATOM 0 HA HIS A 29 12.156 3.951 -2.205 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.471 0.987 -2.372 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.043 1.889 -3.762 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.764 3.105 -3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.741 -0.362 -0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.669 1.695 -2.039 1.00 0.00 H new ATOM 529 N LEU A 30 10.310 3.716 -4.085 1.00 0.00 N ATOM 530 CA LEU A 30 9.166 3.943 -4.925 1.00 0.00 C ATOM 531 C LEU A 30 9.065 2.822 -5.928 1.00 0.00 C ATOM 532 O LEU A 30 9.953 2.627 -6.734 1.00 0.00 O ATOM 533 CB LEU A 30 9.262 5.282 -5.679 1.00 0.00 C ATOM 534 CG LEU A 30 9.220 6.595 -4.870 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.388 6.742 -3.909 1.00 0.00 C ATOM 536 CD2 LEU A 30 9.195 7.762 -5.820 1.00 0.00 C ATOM 0 H LEU A 30 11.208 3.868 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 30 8.282 3.979 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.192 5.274 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.446 5.313 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 30 8.315 6.571 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.300 7.686 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.380 5.916 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.323 6.730 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.165 8.692 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.090 7.744 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.311 7.696 -6.455 1.00 0.00 H new ATOM 548 N ALA A 31 8.022 2.076 -5.855 1.00 0.00 N ATOM 549 CA ALA A 31 7.794 1.012 -6.800 1.00 0.00 C ATOM 550 C ALA A 31 6.909 1.462 -7.908 1.00 0.00 C ATOM 551 O ALA A 31 6.080 2.327 -7.749 1.00 0.00 O ATOM 552 CB ALA A 31 7.222 -0.238 -6.157 1.00 0.00 C ATOM 0 H ALA A 31 7.296 2.175 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 31 8.773 0.751 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.072 -1.003 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.915 -0.609 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.267 -0.001 -5.688 1.00 0.00 H new ATOM 558 N LYS A 32 7.094 0.891 -9.015 1.00 0.00 N ATOM 559 CA LYS A 32 6.285 1.167 -10.121 1.00 0.00 C ATOM 560 C LYS A 32 5.414 -0.022 -10.316 1.00 0.00 C ATOM 561 O LYS A 32 5.893 -1.158 -10.205 1.00 0.00 O ATOM 562 CB LYS A 32 7.124 1.450 -11.369 1.00 0.00 C ATOM 563 CG LYS A 32 6.297 1.816 -12.590 1.00 0.00 C ATOM 564 CD LYS A 32 7.163 2.137 -13.793 1.00 0.00 C ATOM 565 CE LYS A 32 8.018 0.958 -14.216 1.00 0.00 C ATOM 566 NZ LYS A 32 8.837 1.276 -15.399 1.00 0.00 N ATOM 0 H LYS A 32 7.827 0.203 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 32 5.688 2.063 -9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.817 2.263 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.726 0.571 -11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.629 0.990 -12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.669 2.676 -12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.528 2.440 -14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.807 2.985 -13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.668 0.665 -13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.377 0.104 -14.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.408 0.447 -15.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.216 1.531 -16.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.466 2.075 -15.181 1.00 0.00 H new ATOM 580 N ALA A 33 4.145 0.206 -10.516 1.00 0.00 N ATOM 581 CA ALA A 33 3.246 -0.862 -10.813 1.00 0.00 C ATOM 582 C ALA A 33 3.641 -1.455 -12.130 1.00 0.00 C ATOM 583 O ALA A 33 3.639 -0.760 -13.148 1.00 0.00 O ATOM 584 CB ALA A 33 1.858 -0.334 -10.884 1.00 0.00 C ATOM 0 H ALA A 33 3.713 1.129 -10.477 1.00 0.00 H new ATOM 0 HA ALA A 33 3.289 -1.626 -10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.170 -1.148 -11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.589 0.112 -9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.796 0.422 -11.667 1.00 0.00 H new ATOM 590 N CYS A 34 4.022 -2.697 -12.092 1.00 0.00 N ATOM 591 CA CYS A 34 4.487 -3.393 -13.263 1.00 0.00 C ATOM 592 C CYS A 34 3.304 -3.853 -14.111 1.00 0.00 C ATOM 593 O CYS A 34 3.446 -4.153 -15.298 1.00 0.00 O ATOM 594 CB CYS A 34 5.356 -4.582 -12.845 1.00 0.00 C ATOM 595 SG CYS A 34 6.239 -5.391 -14.193 1.00 0.00 S ATOM 0 H CYS A 34 4.020 -3.263 -11.243 1.00 0.00 H new ATOM 0 HA CYS A 34 5.091 -2.716 -13.868 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.083 -4.240 -12.108 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.723 -5.319 -12.351 1.00 0.00 H new ATOM 0 HG CYS A 34 7.184 -4.609 -14.624 1.00 0.00 H new ATOM 601 N CYS A 35 2.146 -3.890 -13.509 1.00 0.00 N ATOM 602 CA CYS A 35 0.943 -4.282 -14.191 1.00 0.00 C ATOM 603 C CYS A 35 -0.207 -3.601 -13.489 1.00 0.00 C ATOM 604 O CYS A 35 -0.038 -3.129 -12.360 1.00 0.00 O ATOM 605 CB CYS A 35 0.786 -5.819 -14.146 1.00 0.00 C ATOM 606 SG CYS A 35 -0.591 -6.488 -15.117 1.00 0.00 S ATOM 0 H CYS A 35 2.010 -3.648 -12.527 1.00 0.00 H new ATOM 0 HA CYS A 35 0.972 -3.989 -15.240 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.712 -6.272 -14.500 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.658 -6.124 -13.107 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.616 -7.783 -15.000 1.00 0.00 H new ATOM 612 N ASP A 36 -1.335 -3.498 -14.142 1.00 0.00 N ATOM 613 CA ASP A 36 -2.486 -2.916 -13.523 1.00 0.00 C ATOM 614 C ASP A 36 -3.331 -4.022 -12.929 1.00 0.00 C ATOM 615 O ASP A 36 -3.889 -4.866 -13.631 1.00 0.00 O ATOM 616 CB ASP A 36 -3.290 -2.000 -14.482 1.00 0.00 C ATOM 617 CG ASP A 36 -4.222 -2.680 -15.456 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.750 -3.212 -16.500 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.465 -2.665 -15.203 1.00 0.00 O ATOM 0 H ASP A 36 -1.476 -3.811 -15.102 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.156 -2.252 -12.724 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.877 -1.308 -13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.581 -1.401 -15.053 1.00 0.00 H new ATOM 624 N VAL A 37 -3.343 -4.072 -11.646 1.00 0.00 N ATOM 625 CA VAL A 37 -4.055 -5.094 -10.939 1.00 0.00 C ATOM 626 C VAL A 37 -5.217 -4.447 -10.178 1.00 0.00 C ATOM 627 O VAL A 37 -5.164 -3.260 -9.812 1.00 0.00 O ATOM 628 CB VAL A 37 -3.110 -5.861 -9.973 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.755 -5.016 -8.814 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.681 -7.188 -9.514 1.00 0.00 C ATOM 0 H VAL A 37 -2.859 -3.404 -11.046 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.449 -5.823 -11.648 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.207 -6.092 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.093 -5.570 -8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.249 -4.115 -9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.661 -4.738 -8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.974 -7.675 -8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.622 -7.018 -8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.858 -7.827 -10.379 1.00 0.00 H new ATOM 640 N LYS A 38 -6.239 -5.204 -9.950 1.00 0.00 N ATOM 641 CA LYS A 38 -7.435 -4.732 -9.271 1.00 0.00 C ATOM 642 C LYS A 38 -7.390 -5.011 -7.766 1.00 0.00 C ATOM 643 O LYS A 38 -8.387 -4.841 -7.076 1.00 0.00 O ATOM 644 CB LYS A 38 -8.629 -5.417 -9.898 1.00 0.00 C ATOM 645 CG LYS A 38 -8.620 -6.925 -9.716 1.00 0.00 C ATOM 646 CD LYS A 38 -9.552 -7.642 -10.671 1.00 0.00 C ATOM 647 CE LYS A 38 -11.054 -7.389 -10.408 1.00 0.00 C ATOM 648 NZ LYS A 38 -11.535 -6.032 -10.771 1.00 0.00 N ATOM 0 H LYS A 38 -6.283 -6.184 -10.228 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.506 -3.650 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.542 -5.011 -9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.654 -5.187 -10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.605 -7.297 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.905 -7.163 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.317 -7.333 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.360 -8.713 -10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.634 -8.125 -10.965 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.256 -7.559 -9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.460 -6.106 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.628 -5.455 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.854 -5.583 -11.416 1.00 0.00 H new ATOM 662 N GLY A 39 -6.248 -5.448 -7.275 1.00 0.00 N ATOM 663 CA GLY A 39 -6.090 -5.684 -5.850 1.00 0.00 C ATOM 664 C GLY A 39 -6.931 -6.828 -5.323 1.00 0.00 C ATOM 665 O GLY A 39 -7.734 -6.651 -4.401 1.00 0.00 O ATOM 0 H GLY A 39 -5.419 -5.647 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.041 -5.890 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.351 -4.774 -5.309 1.00 0.00 H new ATOM 669 N GLY A 40 -6.731 -7.987 -5.874 1.00 0.00 N ATOM 670 CA GLY A 40 -7.489 -9.157 -5.450 1.00 0.00 C ATOM 671 C GLY A 40 -6.602 -10.027 -4.628 1.00 0.00 C ATOM 672 O GLY A 40 -5.419 -9.830 -4.677 1.00 0.00 O ATOM 0 H GLY A 40 -6.055 -8.162 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.362 -8.853 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.857 -9.704 -6.318 1.00 0.00 H new ATOM 676 N LYS A 41 -7.159 -10.958 -3.840 1.00 0.00 N ATOM 677 CA LYS A 41 -6.350 -11.862 -2.983 1.00 0.00 C ATOM 678 C LYS A 41 -5.476 -11.086 -2.019 1.00 0.00 C ATOM 679 O LYS A 41 -4.380 -11.531 -1.629 1.00 0.00 O ATOM 680 CB LYS A 41 -5.516 -12.854 -3.815 1.00 0.00 C ATOM 681 CG LYS A 41 -6.308 -13.974 -4.508 1.00 0.00 C ATOM 682 CD LYS A 41 -6.815 -15.060 -3.535 1.00 0.00 C ATOM 683 CE LYS A 41 -7.882 -14.567 -2.568 1.00 0.00 C ATOM 684 NZ LYS A 41 -8.369 -15.636 -1.680 1.00 0.00 N ATOM 0 H LYS A 41 -8.165 -11.111 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.055 -12.447 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.972 -12.294 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.772 -13.311 -3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.160 -13.537 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.677 -14.441 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.217 -15.893 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.971 -15.446 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.476 -13.754 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.719 -14.157 -3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.094 -15.253 -1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.781 -16.401 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.576 -16.011 -1.121 1.00 0.00 H new ATOM 698 N ASN A 42 -6.018 -9.964 -1.581 1.00 0.00 N ATOM 699 CA ASN A 42 -5.371 -9.064 -0.662 1.00 0.00 C ATOM 700 C ASN A 42 -4.138 -8.417 -1.275 1.00 0.00 C ATOM 701 O ASN A 42 -3.042 -8.505 -0.736 1.00 0.00 O ATOM 702 CB ASN A 42 -5.078 -9.713 0.718 1.00 0.00 C ATOM 703 CG ASN A 42 -6.351 -10.083 1.482 1.00 0.00 C ATOM 704 OD1 ASN A 42 -6.891 -9.272 2.247 1.00 0.00 O ATOM 705 ND2 ASN A 42 -6.822 -11.299 1.317 1.00 0.00 N ATOM 0 H ASN A 42 -6.946 -9.651 -1.866 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.084 -8.263 -0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.474 -10.609 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.486 -9.024 1.320 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.654 -11.597 1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.355 -11.945 0.680 1.00 0.00 H new ATOM 712 N GLU A 43 -4.330 -7.842 -2.450 1.00 0.00 N ATOM 713 CA GLU A 43 -3.328 -7.019 -3.117 1.00 0.00 C ATOM 714 C GLU A 43 -3.798 -5.552 -3.100 1.00 0.00 C ATOM 715 O GLU A 43 -4.877 -5.264 -2.591 1.00 0.00 O ATOM 716 CB GLU A 43 -3.091 -7.464 -4.580 1.00 0.00 C ATOM 717 CG GLU A 43 -1.950 -8.460 -4.803 1.00 0.00 C ATOM 718 CD GLU A 43 -2.339 -9.912 -4.628 1.00 0.00 C ATOM 719 OE1 GLU A 43 -2.901 -10.488 -5.583 1.00 0.00 O ATOM 720 OE2 GLU A 43 -2.013 -10.524 -3.593 1.00 0.00 O ATOM 0 H GLU A 43 -5.198 -7.933 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.385 -7.132 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.012 -7.907 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.894 -6.576 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.556 -8.322 -5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.142 -8.228 -4.110 1.00 0.00 H new ATOM 727 N LEU A 44 -3.008 -4.646 -3.654 1.00 0.00 N ATOM 728 CA LEU A 44 -3.388 -3.231 -3.763 1.00 0.00 C ATOM 729 C LEU A 44 -3.932 -3.023 -5.162 1.00 0.00 C ATOM 730 O LEU A 44 -3.554 -3.751 -6.070 1.00 0.00 O ATOM 731 CB LEU A 44 -2.118 -2.364 -3.632 1.00 0.00 C ATOM 732 CG LEU A 44 -2.246 -0.983 -2.933 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.946 -0.309 -2.916 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.242 -0.065 -3.554 1.00 0.00 C ATOM 0 H LEU A 44 -2.089 -4.861 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.114 -2.966 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.372 -2.945 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.724 -2.196 -4.634 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.601 -1.203 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.044 0.659 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.226 -0.921 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.599 -0.163 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.265 0.874 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.962 0.129 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.229 -0.526 -3.526 1.00 0.00 H new ATOM 746 N SER A 45 -4.822 -2.089 -5.343 1.00 0.00 N ATOM 747 CA SER A 45 -5.298 -1.814 -6.664 1.00 0.00 C ATOM 748 C SER A 45 -4.494 -0.672 -7.256 1.00 0.00 C ATOM 749 O SER A 45 -4.364 0.389 -6.638 1.00 0.00 O ATOM 750 CB SER A 45 -6.781 -1.492 -6.674 1.00 0.00 C ATOM 751 OG SER A 45 -7.496 -2.391 -5.845 1.00 0.00 O ATOM 0 H SER A 45 -5.226 -1.514 -4.604 1.00 0.00 H new ATOM 0 HA SER A 45 -5.166 -2.708 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.938 -0.470 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.163 -1.548 -7.693 1.00 0.00 H new ATOM 0 HG SER A 45 -8.450 -2.166 -5.864 1.00 0.00 H new ATOM 757 N PHE A 46 -3.946 -0.894 -8.417 1.00 0.00 N ATOM 758 CA PHE A 46 -3.114 0.090 -9.056 1.00 0.00 C ATOM 759 C PHE A 46 -3.034 -0.154 -10.539 1.00 0.00 C ATOM 760 O PHE A 46 -3.376 -1.235 -11.016 1.00 0.00 O ATOM 761 CB PHE A 46 -1.710 0.116 -8.425 1.00 0.00 C ATOM 762 CG PHE A 46 -1.068 -1.240 -8.241 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.490 -1.912 -9.299 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.026 -1.824 -6.993 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.117 -3.136 -9.116 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.427 -3.046 -6.805 1.00 0.00 C ATOM 767 CZ PHE A 46 0.147 -3.705 -7.867 1.00 0.00 C ATOM 0 H PHE A 46 -4.062 -1.758 -8.947 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.570 1.068 -8.901 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.059 0.728 -9.049 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.774 0.606 -7.454 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.514 -1.472 -10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.470 -1.314 -6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.568 -3.647 -9.954 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.407 -3.490 -5.821 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.619 -4.665 -7.719 1.00 0.00 H new ATOM 777 N LYS A 47 -2.601 0.845 -11.251 1.00 0.00 N ATOM 778 CA LYS A 47 -2.433 0.776 -12.675 1.00 0.00 C ATOM 779 C LYS A 47 -0.971 0.807 -12.978 1.00 0.00 C ATOM 780 O LYS A 47 -0.216 1.389 -12.219 1.00 0.00 O ATOM 781 CB LYS A 47 -3.156 1.943 -13.354 1.00 0.00 C ATOM 782 CG LYS A 47 -4.661 1.860 -13.228 1.00 0.00 C ATOM 783 CD LYS A 47 -5.199 0.715 -14.053 1.00 0.00 C ATOM 784 CE LYS A 47 -6.658 0.446 -13.794 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.180 -0.633 -14.665 1.00 0.00 N ATOM 0 H LYS A 47 -2.349 1.749 -10.851 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.866 -0.147 -13.059 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.812 2.880 -12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.886 1.965 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.937 1.724 -12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.112 2.796 -13.557 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.057 0.937 -15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.624 -0.185 -13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.797 0.169 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.231 1.358 -13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.850 -1.219 -14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.666 -0.214 -15.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.391 -1.224 -14.996 1.00 0.00 H new ATOM 799 N GLN A 48 -0.572 0.148 -14.039 1.00 0.00 N ATOM 800 CA GLN A 48 0.839 0.102 -14.457 1.00 0.00 C ATOM 801 C GLN A 48 1.395 1.532 -14.549 1.00 0.00 C ATOM 802 O GLN A 48 0.879 2.365 -15.288 1.00 0.00 O ATOM 803 CB GLN A 48 0.981 -0.665 -15.807 1.00 0.00 C ATOM 804 CG GLN A 48 2.429 -1.038 -16.231 1.00 0.00 C ATOM 805 CD GLN A 48 3.295 0.135 -16.684 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.800 1.110 -17.241 1.00 0.00 O ATOM 807 NE2 GLN A 48 4.584 0.055 -16.444 1.00 0.00 N ATOM 0 H GLN A 48 -1.202 -0.376 -14.647 1.00 0.00 H new ATOM 0 HA GLN A 48 1.424 -0.441 -13.715 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.395 -1.582 -15.744 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.538 -0.057 -16.596 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.921 -1.530 -15.392 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.378 -1.765 -17.041 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.966 -0.769 -15.979 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.203 0.816 -16.723 1.00 0.00 H new ATOM 816 N GLY A 49 2.418 1.807 -13.763 1.00 0.00 N ATOM 817 CA GLY A 49 3.011 3.131 -13.741 1.00 0.00 C ATOM 818 C GLY A 49 2.311 4.103 -12.792 1.00 0.00 C ATOM 819 O GLY A 49 2.537 5.306 -12.863 1.00 0.00 O ATOM 0 H GLY A 49 2.855 1.134 -13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.058 3.045 -13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.992 3.545 -14.749 1.00 0.00 H new ATOM 823 N GLU A 50 1.455 3.577 -11.910 1.00 0.00 N ATOM 824 CA GLU A 50 0.722 4.394 -10.910 1.00 0.00 C ATOM 825 C GLU A 50 1.685 5.062 -9.946 1.00 0.00 C ATOM 826 O GLU A 50 1.433 6.166 -9.455 1.00 0.00 O ATOM 827 CB GLU A 50 -0.227 3.501 -10.111 1.00 0.00 C ATOM 828 CG GLU A 50 -1.198 4.240 -9.200 1.00 0.00 C ATOM 829 CD GLU A 50 -2.048 5.236 -9.951 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.931 4.817 -10.717 1.00 0.00 O ATOM 831 OE2 GLU A 50 -1.828 6.455 -9.803 1.00 0.00 O ATOM 0 H GLU A 50 1.245 2.580 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 50 0.162 5.161 -11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.801 2.891 -10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.367 2.817 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.845 3.518 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.638 4.758 -8.421 1.00 0.00 H new ATOM 838 N GLN A 51 2.784 4.367 -9.699 1.00 0.00 N ATOM 839 CA GLN A 51 3.844 4.786 -8.774 1.00 0.00 C ATOM 840 C GLN A 51 3.413 4.532 -7.340 1.00 0.00 C ATOM 841 O GLN A 51 2.652 5.286 -6.731 1.00 0.00 O ATOM 842 CB GLN A 51 4.323 6.233 -9.025 1.00 0.00 C ATOM 843 CG GLN A 51 4.920 6.418 -10.414 1.00 0.00 C ATOM 844 CD GLN A 51 5.173 7.861 -10.805 1.00 0.00 C ATOM 845 OE1 GLN A 51 5.101 8.202 -11.983 1.00 0.00 O ATOM 846 NE2 GLN A 51 5.470 8.718 -9.864 1.00 0.00 N ATOM 0 H GLN A 51 2.976 3.470 -10.145 1.00 0.00 H new ATOM 0 HA GLN A 51 4.725 4.173 -8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.483 6.917 -8.900 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.067 6.501 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.861 5.871 -10.466 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.249 5.969 -11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.524 8.411 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.648 9.694 -10.101 1.00 0.00 H new ATOM 855 N ILE A 52 3.900 3.448 -6.844 1.00 0.00 N ATOM 856 CA ILE A 52 3.566 2.895 -5.572 1.00 0.00 C ATOM 857 C ILE A 52 4.754 3.140 -4.664 1.00 0.00 C ATOM 858 O ILE A 52 5.818 3.520 -5.138 1.00 0.00 O ATOM 859 CB ILE A 52 3.345 1.363 -5.753 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.467 1.132 -6.992 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.702 0.732 -4.514 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.108 -0.292 -7.233 1.00 0.00 C ATOM 0 H ILE A 52 4.587 2.886 -7.347 1.00 0.00 H new ATOM 0 HA ILE A 52 2.665 3.341 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 52 4.314 0.883 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.550 1.712 -6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.988 1.516 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.564 -0.337 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.349 0.885 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.734 1.198 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.488 -0.365 -8.126 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.017 -0.878 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.556 -0.678 -6.376 1.00 0.00 H new ATOM 874 N GLU A 53 4.595 2.995 -3.401 1.00 0.00 N ATOM 875 CA GLU A 53 5.694 3.193 -2.496 1.00 0.00 C ATOM 876 C GLU A 53 5.804 1.973 -1.615 1.00 0.00 C ATOM 877 O GLU A 53 4.790 1.449 -1.164 1.00 0.00 O ATOM 878 CB GLU A 53 5.448 4.425 -1.656 1.00 0.00 C ATOM 879 CG GLU A 53 4.956 5.615 -2.462 1.00 0.00 C ATOM 880 CD GLU A 53 4.604 6.797 -1.627 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.688 6.715 -0.791 1.00 0.00 O ATOM 882 OE2 GLU A 53 5.236 7.849 -1.794 1.00 0.00 O ATOM 0 H GLU A 53 3.714 2.739 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 53 6.622 3.335 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.715 4.190 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.371 4.698 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.727 5.902 -3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.081 5.315 -3.039 1.00 0.00 H new ATOM 889 N ILE A 54 7.002 1.502 -1.401 1.00 0.00 N ATOM 890 CA ILE A 54 7.202 0.317 -0.596 1.00 0.00 C ATOM 891 C ILE A 54 7.465 0.715 0.855 1.00 0.00 C ATOM 892 O ILE A 54 8.268 1.627 1.134 1.00 0.00 O ATOM 893 CB ILE A 54 8.366 -0.594 -1.140 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.494 -1.885 -0.351 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.687 0.110 -1.141 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.351 -2.828 -0.533 1.00 0.00 C ATOM 0 H ILE A 54 7.858 1.917 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 54 6.289 -0.275 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 54 8.095 -0.830 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.416 -2.388 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.586 -1.643 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.456 -0.560 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.627 0.995 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.941 0.409 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.520 -3.724 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.427 -2.347 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.270 -3.103 -1.585 1.00 0.00 H new ATOM 908 N ILE A 55 6.754 0.091 1.752 1.00 0.00 N ATOM 909 CA ILE A 55 6.935 0.329 3.168 1.00 0.00 C ATOM 910 C ILE A 55 7.449 -0.913 3.877 1.00 0.00 C ATOM 911 O ILE A 55 8.293 -0.835 4.780 1.00 0.00 O ATOM 912 CB ILE A 55 5.666 0.894 3.902 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.367 0.151 3.504 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.522 2.395 3.680 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.742 0.617 2.205 1.00 0.00 C ATOM 0 H ILE A 55 6.033 -0.596 1.530 1.00 0.00 H new ATOM 0 HA ILE A 55 7.687 1.116 3.225 1.00 0.00 H new ATOM 0 HB ILE A 55 5.820 0.716 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.584 -0.914 3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.637 0.269 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.635 2.756 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.403 2.906 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.425 2.597 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.838 0.040 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.488 1.674 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.449 0.472 1.388 1.00 0.00 H new ATOM 927 N ARG A 56 6.984 -2.073 3.487 1.00 0.00 N ATOM 928 CA ARG A 56 7.466 -3.255 4.133 1.00 0.00 C ATOM 929 C ARG A 56 7.730 -4.353 3.124 1.00 0.00 C ATOM 930 O ARG A 56 6.931 -4.585 2.229 1.00 0.00 O ATOM 931 CB ARG A 56 6.505 -3.749 5.205 1.00 0.00 C ATOM 932 CG ARG A 56 7.173 -4.670 6.216 1.00 0.00 C ATOM 933 CD ARG A 56 7.849 -3.918 7.352 1.00 0.00 C ATOM 934 NE ARG A 56 8.781 -2.876 6.897 1.00 0.00 N ATOM 935 CZ ARG A 56 9.977 -2.640 7.439 1.00 0.00 C ATOM 936 NH1 ARG A 56 10.448 -3.421 8.405 1.00 0.00 N ATOM 937 NH2 ARG A 56 10.690 -1.625 6.997 1.00 0.00 N ATOM 0 H ARG A 56 6.295 -2.218 2.749 1.00 0.00 H new ATOM 0 HA ARG A 56 8.404 -2.991 4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.078 -2.892 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.678 -4.277 4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.426 -5.347 6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.913 -5.285 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.084 -3.460 7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.390 -4.629 7.976 1.00 0.00 H new ATOM 0 HE ARG A 56 8.493 -2.292 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.894 -4.210 8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.364 -3.232 8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.326 -1.033 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.606 -1.431 7.401 1.00 0.00 H new ATOM 951 N ILE A 57 8.856 -4.989 3.273 1.00 0.00 N ATOM 952 CA ILE A 57 9.300 -6.079 2.404 1.00 0.00 C ATOM 953 C ILE A 57 9.681 -7.296 3.233 1.00 0.00 C ATOM 954 O ILE A 57 9.846 -8.399 2.714 1.00 0.00 O ATOM 955 CB ILE A 57 10.536 -5.685 1.497 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.650 -4.925 2.267 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.107 -4.899 0.283 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.310 -3.470 2.599 1.00 0.00 C ATOM 0 H ILE A 57 9.519 -4.770 4.017 1.00 0.00 H new ATOM 0 HA ILE A 57 8.458 -6.303 1.749 1.00 0.00 H new ATOM 0 HB ILE A 57 10.968 -6.631 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.861 -5.457 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.564 -4.945 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.983 -4.647 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.420 -5.498 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.608 -3.983 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.142 -3.015 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.129 -2.919 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.416 -3.438 3.221 1.00 0.00 H new ATOM 970 N THR A 58 9.813 -7.088 4.512 1.00 0.00 N ATOM 971 CA THR A 58 10.244 -8.099 5.420 1.00 0.00 C ATOM 972 C THR A 58 9.183 -8.433 6.446 1.00 0.00 C ATOM 973 O THR A 58 8.278 -7.632 6.692 1.00 0.00 O ATOM 974 CB THR A 58 11.509 -7.627 6.095 1.00 0.00 C ATOM 975 OG1 THR A 58 11.414 -6.198 6.302 1.00 0.00 O ATOM 976 CG2 THR A 58 12.709 -7.952 5.240 1.00 0.00 C ATOM 0 H THR A 58 9.619 -6.191 4.957 1.00 0.00 H new ATOM 0 HA THR A 58 10.433 -9.016 4.861 1.00 0.00 H new ATOM 0 HB THR A 58 11.628 -8.133 7.053 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.229 -5.876 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.615 -7.606 5.738 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.767 -9.030 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.613 -7.455 4.275 1.00 0.00 H new ATOM 984 N ASP A 59 9.320 -9.617 7.025 1.00 0.00 N ATOM 985 CA ASP A 59 8.394 -10.191 8.000 1.00 0.00 C ATOM 986 C ASP A 59 7.006 -10.225 7.434 1.00 0.00 C ATOM 987 O ASP A 59 6.135 -9.415 7.766 1.00 0.00 O ATOM 988 CB ASP A 59 8.436 -9.539 9.392 1.00 0.00 C ATOM 989 CG ASP A 59 7.598 -10.327 10.386 1.00 0.00 C ATOM 990 OD1 ASP A 59 7.900 -11.510 10.617 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.645 -9.787 10.978 1.00 0.00 O ATOM 0 H ASP A 59 10.109 -10.231 6.823 1.00 0.00 H new ATOM 0 HA ASP A 59 8.735 -11.211 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.467 -9.485 9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.067 -8.515 9.330 1.00 0.00 H new ATOM 996 N ASN A 60 6.857 -11.095 6.496 1.00 0.00 N ATOM 997 CA ASN A 60 5.634 -11.262 5.770 1.00 0.00 C ATOM 998 C ASN A 60 5.172 -12.717 5.771 1.00 0.00 C ATOM 999 O ASN A 60 5.985 -13.644 5.699 1.00 0.00 O ATOM 1000 CB ASN A 60 5.769 -10.705 4.329 1.00 0.00 C ATOM 1001 CG ASN A 60 7.023 -11.163 3.575 1.00 0.00 C ATOM 1002 OD1 ASN A 60 7.560 -12.229 3.807 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.464 -10.373 2.637 1.00 0.00 N ATOM 0 H ASN A 60 7.599 -11.730 6.201 1.00 0.00 H new ATOM 0 HA ASN A 60 4.862 -10.685 6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.890 -11.001 3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.767 -9.616 4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.275 -10.645 2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.998 -9.483 2.459 1.00 0.00 H new ATOM 1010 N PRO A 61 3.865 -12.942 5.929 1.00 0.00 N ATOM 1011 CA PRO A 61 3.278 -14.287 5.904 1.00 0.00 C ATOM 1012 C PRO A 61 3.329 -14.944 4.509 1.00 0.00 C ATOM 1013 O PRO A 61 3.792 -16.082 4.366 1.00 0.00 O ATOM 1014 CB PRO A 61 1.819 -14.054 6.340 1.00 0.00 C ATOM 1015 CG PRO A 61 1.813 -12.701 6.963 1.00 0.00 C ATOM 1016 CD PRO A 61 2.850 -11.918 6.229 1.00 0.00 C ATOM 0 HA PRO A 61 3.827 -14.973 6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.141 -14.099 5.488 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.492 -14.816 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.833 -12.233 6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.044 -12.758 8.027 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.450 -11.464 5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.256 -11.110 6.838 1.00 0.00 H new ATOM 1024 N GLU A 62 2.895 -14.214 3.487 1.00 0.00 N ATOM 1025 CA GLU A 62 2.814 -14.756 2.130 1.00 0.00 C ATOM 1026 C GLU A 62 4.125 -14.599 1.385 1.00 0.00 C ATOM 1027 O GLU A 62 4.401 -15.323 0.428 1.00 0.00 O ATOM 1028 CB GLU A 62 1.708 -14.065 1.334 1.00 0.00 C ATOM 1029 CG GLU A 62 0.306 -14.320 1.843 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.721 -13.526 1.084 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -0.997 -13.848 -0.087 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -1.243 -12.544 1.627 1.00 0.00 O ATOM 0 H GLU A 62 2.593 -13.243 3.570 1.00 0.00 H new ATOM 0 HA GLU A 62 2.589 -15.818 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.892 -12.991 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.768 -14.392 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.077 -15.382 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.252 -14.065 2.901 1.00 0.00 H new ATOM 1039 N GLY A 63 4.921 -13.646 1.809 1.00 0.00 N ATOM 1040 CA GLY A 63 6.174 -13.382 1.125 1.00 0.00 C ATOM 1041 C GLY A 63 6.008 -12.272 0.115 1.00 0.00 C ATOM 1042 O GLY A 63 6.890 -12.011 -0.721 1.00 0.00 O ATOM 0 H GLY A 63 4.732 -13.046 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.940 -13.108 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.518 -14.287 0.625 1.00 0.00 H new ATOM 1046 N LYS A 64 4.859 -11.655 0.168 1.00 0.00 N ATOM 1047 CA LYS A 64 4.500 -10.568 -0.678 1.00 0.00 C ATOM 1048 C LYS A 64 4.956 -9.282 0.029 1.00 0.00 C ATOM 1049 O LYS A 64 5.238 -9.310 1.229 1.00 0.00 O ATOM 1050 CB LYS A 64 2.966 -10.597 -0.878 1.00 0.00 C ATOM 1051 CG LYS A 64 2.149 -10.017 0.278 1.00 0.00 C ATOM 1052 CD LYS A 64 0.696 -10.475 0.267 1.00 0.00 C ATOM 1053 CE LYS A 64 0.040 -10.365 -1.093 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.396 -10.697 -1.039 1.00 0.00 N ATOM 0 H LYS A 64 4.125 -11.911 0.829 1.00 0.00 H new ATOM 0 HA LYS A 64 4.970 -10.626 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.723 -10.046 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.656 -11.629 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.609 -10.307 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.182 -8.929 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.647 -11.511 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.130 -9.880 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.164 -9.352 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.541 -11.033 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.708 -11.039 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.554 -11.438 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.939 -9.848 -0.782 1.00 0.00 H new ATOM 1068 N TRP A 65 5.057 -8.211 -0.685 1.00 0.00 N ATOM 1069 CA TRP A 65 5.502 -6.951 -0.126 1.00 0.00 C ATOM 1070 C TRP A 65 4.303 -6.120 0.305 1.00 0.00 C ATOM 1071 O TRP A 65 3.171 -6.528 0.128 1.00 0.00 O ATOM 1072 CB TRP A 65 6.330 -6.173 -1.147 1.00 0.00 C ATOM 1073 CG TRP A 65 7.647 -6.795 -1.486 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.371 -7.659 -0.714 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.421 -6.574 -2.676 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.536 -7.991 -1.348 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.595 -7.339 -2.553 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.236 -5.811 -3.830 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.577 -7.361 -3.539 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.212 -5.836 -4.808 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.368 -6.605 -4.656 1.00 0.00 C ATOM 0 H TRP A 65 4.835 -8.171 -1.680 1.00 0.00 H new ATOM 0 HA TRP A 65 6.126 -7.160 0.743 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.747 -6.067 -2.062 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.506 -5.168 -0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 65 8.067 -8.026 0.255 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.248 -8.623 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.346 -5.212 -3.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.472 -7.955 -3.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.079 -5.251 -5.706 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.112 -6.601 -5.439 1.00 0.00 H new ATOM 1092 N LEU A 66 4.549 -4.987 0.894 1.00 0.00 N ATOM 1093 CA LEU A 66 3.495 -4.080 1.272 1.00 0.00 C ATOM 1094 C LEU A 66 3.725 -2.761 0.585 1.00 0.00 C ATOM 1095 O LEU A 66 4.712 -2.060 0.888 1.00 0.00 O ATOM 1096 CB LEU A 66 3.456 -3.869 2.787 1.00 0.00 C ATOM 1097 CG LEU A 66 2.385 -2.895 3.296 1.00 0.00 C ATOM 1098 CD1 LEU A 66 0.996 -3.418 3.046 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.575 -2.614 4.756 1.00 0.00 C ATOM 0 H LEU A 66 5.487 -4.661 1.128 1.00 0.00 H new ATOM 0 HA LEU A 66 2.539 -4.508 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.299 -4.835 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.432 -3.508 3.110 1.00 0.00 H new ATOM 0 HG LEU A 66 2.500 -1.965 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.265 -2.701 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.849 -3.562 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.867 -4.370 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.805 -1.921 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.500 -3.545 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.558 -2.171 4.916 1.00 0.00 H new ATOM 1111 N GLY A 67 2.854 -2.422 -0.327 1.00 0.00 N ATOM 1112 CA GLY A 67 2.986 -1.199 -1.041 1.00 0.00 C ATOM 1113 C GLY A 67 1.860 -0.270 -0.713 1.00 0.00 C ATOM 1114 O GLY A 67 0.806 -0.712 -0.245 1.00 0.00 O ATOM 0 H GLY A 67 2.044 -2.985 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.937 -0.728 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.000 -1.398 -2.113 1.00 0.00 H new ATOM 1118 N ARG A 68 2.078 0.997 -0.923 1.00 0.00 N ATOM 1119 CA ARG A 68 1.085 2.005 -0.650 1.00 0.00 C ATOM 1120 C ARG A 68 0.982 2.967 -1.811 1.00 0.00 C ATOM 1121 O ARG A 68 1.924 3.152 -2.569 1.00 0.00 O ATOM 1122 CB ARG A 68 1.439 2.779 0.647 1.00 0.00 C ATOM 1123 CG ARG A 68 0.437 3.845 1.102 1.00 0.00 C ATOM 1124 CD ARG A 68 1.020 4.767 2.169 1.00 0.00 C ATOM 1125 NE ARG A 68 2.080 5.648 1.645 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.708 6.610 2.352 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.376 6.855 3.610 1.00 0.00 N ATOM 1128 NH2 ARG A 68 3.632 7.338 1.773 1.00 0.00 N ATOM 0 H ARG A 68 2.955 1.365 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 68 0.123 1.511 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.558 2.056 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.407 3.259 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.125 4.438 0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.456 3.358 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.222 5.378 2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.424 4.164 2.982 1.00 0.00 H new ATOM 0 HE ARG A 68 2.360 5.520 0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.636 6.313 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.860 7.586 4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.871 7.175 0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.112 8.067 2.301 1.00 0.00 H new ATOM 1142 N THR A 69 -0.162 3.545 -1.931 1.00 0.00 N ATOM 1143 CA THR A 69 -0.430 4.579 -2.894 1.00 0.00 C ATOM 1144 C THR A 69 -0.339 5.894 -2.109 1.00 0.00 C ATOM 1145 O THR A 69 -0.555 5.872 -0.903 1.00 0.00 O ATOM 1146 CB THR A 69 -1.857 4.378 -3.464 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.992 3.007 -3.870 1.00 0.00 O ATOM 1148 CG2 THR A 69 -2.110 5.265 -4.671 1.00 0.00 C ATOM 0 H THR A 69 -0.967 3.311 -1.349 1.00 0.00 H new ATOM 0 HA THR A 69 0.266 4.570 -3.733 1.00 0.00 H new ATOM 0 HB THR A 69 -2.578 4.641 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.891 2.860 -4.232 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.121 5.095 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.000 6.311 -4.384 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.391 5.027 -5.455 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.019 7.000 -2.763 1.00 0.00 N ATOM 1157 CA ALA A 70 0.215 8.305 -2.103 1.00 0.00 C ATOM 1158 C ALA A 70 -0.904 8.739 -1.131 1.00 0.00 C ATOM 1159 O ALA A 70 -0.647 9.441 -0.151 1.00 0.00 O ATOM 1160 CB ALA A 70 0.448 9.380 -3.150 1.00 0.00 C ATOM 0 H ALA A 70 0.090 7.032 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 70 1.104 8.174 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.619 10.337 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.320 9.120 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.428 9.456 -3.795 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.123 8.327 -1.401 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.271 8.674 -0.555 1.00 0.00 C ATOM 1168 C ARG A 71 -3.374 7.755 0.677 1.00 0.00 C ATOM 1169 O ARG A 71 -4.135 8.030 1.609 1.00 0.00 O ATOM 1170 CB ARG A 71 -4.560 8.582 -1.366 1.00 0.00 C ATOM 1171 CG ARG A 71 -4.896 7.169 -1.812 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.114 7.132 -2.698 1.00 0.00 C ATOM 1173 NE ARG A 71 -5.903 7.841 -3.961 1.00 0.00 N ATOM 1174 CZ ARG A 71 -5.938 7.262 -5.171 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -6.112 5.941 -5.291 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -5.798 8.000 -6.261 1.00 0.00 N ATOM 0 H ARG A 71 -2.358 7.745 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.123 9.695 -0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.384 8.972 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.473 9.221 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.046 6.746 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.066 6.543 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.378 6.095 -2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.958 7.577 -2.171 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.717 8.843 -3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.220 5.363 -4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.137 5.512 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.664 9.008 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.824 7.561 -7.181 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.616 6.680 0.675 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.672 5.704 1.745 1.00 0.00 C ATOM 1192 C GLY A 72 -3.629 4.576 1.427 1.00 0.00 C ATOM 1193 O GLY A 72 -4.832 4.670 1.664 1.00 0.00 O ATOM 0 H GLY A 72 -1.947 6.457 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.676 5.297 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.982 6.194 2.668 1.00 0.00 H new ATOM 1197 N SER A 73 -3.081 3.547 0.856 1.00 0.00 N ATOM 1198 CA SER A 73 -3.749 2.381 0.444 1.00 0.00 C ATOM 1199 C SER A 73 -2.662 1.383 0.503 1.00 0.00 C ATOM 1200 O SER A 73 -1.667 1.548 -0.159 1.00 0.00 O ATOM 1201 CB SER A 73 -4.246 2.493 -0.982 1.00 0.00 C ATOM 1202 OG SER A 73 -5.067 3.645 -1.164 1.00 0.00 O ATOM 0 H SER A 73 -2.081 3.512 0.658 1.00 0.00 H new ATOM 0 HA SER A 73 -4.627 2.155 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.395 2.541 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.811 1.598 -1.242 1.00 0.00 H new ATOM 0 HG SER A 73 -5.369 3.688 -2.095 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.814 0.456 1.284 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.806 -0.512 1.545 1.00 0.00 C ATOM 1210 C TYR A 74 -2.275 -1.817 1.063 1.00 0.00 C ATOM 1211 O TYR A 74 -3.040 -2.520 1.741 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.555 -0.640 3.013 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.792 0.458 3.721 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.380 1.666 4.045 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.509 0.238 4.131 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.687 2.624 4.761 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.213 1.187 4.833 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.614 2.374 5.147 1.00 0.00 C ATOM 1219 OH TYR A 74 1.305 3.314 5.884 1.00 0.00 O ATOM 0 H TYR A 74 -3.675 0.304 1.809 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.890 -0.199 1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.522 -0.740 3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.016 -1.574 3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.395 1.864 3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.984 -0.702 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.160 3.561 5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.232 0.996 5.134 1.00 0.00 H new ATOM 0 HH TYR A 74 2.207 2.982 6.074 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.906 -2.127 -0.084 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.237 -3.340 -0.601 1.00 0.00 C ATOM 1231 C GLY A 75 -1.027 -4.115 -0.705 1.00 0.00 C ATOM 1232 O GLY A 75 -0.143 -3.791 -1.495 1.00 0.00 O ATOM 0 H GLY A 75 -1.354 -1.529 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.961 -3.844 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.703 -3.225 -1.580 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.917 -4.989 0.203 1.00 0.00 N ATOM 1237 CA TYR A 76 0.125 -5.992 0.257 1.00 0.00 C ATOM 1238 C TYR A 76 0.276 -6.608 -1.146 1.00 0.00 C ATOM 1239 O TYR A 76 -0.542 -7.392 -1.593 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.246 -7.069 1.309 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.437 -6.674 2.183 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -1.284 -5.935 3.347 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -2.720 -7.013 1.801 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -2.387 -5.557 4.083 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -3.816 -6.648 2.528 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.654 -5.919 3.664 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.756 -5.556 4.394 1.00 0.00 O ATOM 0 H TYR A 76 -1.571 -5.052 0.983 1.00 0.00 H new ATOM 0 HA TYR A 76 1.075 -5.549 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.474 -8.004 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.618 -7.257 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.295 -5.654 3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.861 -7.586 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.261 -4.978 4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.805 -6.936 2.203 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.565 -5.893 3.955 1.00 0.00 H new ATOM 1257 N ILE A 77 1.271 -6.154 -1.839 1.00 0.00 N ATOM 1258 CA ILE A 77 1.529 -6.500 -3.175 1.00 0.00 C ATOM 1259 C ILE A 77 2.212 -7.760 -3.320 1.00 0.00 C ATOM 1260 O ILE A 77 3.129 -8.089 -2.583 1.00 0.00 O ATOM 1261 CB ILE A 77 2.434 -5.485 -3.857 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.497 -4.945 -2.885 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.637 -4.378 -4.474 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.435 -3.937 -3.481 1.00 0.00 C ATOM 0 H ILE A 77 1.953 -5.499 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 77 0.538 -6.544 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 77 2.960 -5.996 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.993 -4.492 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.080 -5.783 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.311 -3.668 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.956 -4.791 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.063 -3.868 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.149 -3.612 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.971 -4.388 -4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.867 -3.077 -3.837 1.00 0.00 H new ATOM 1276 N LYS A 78 1.832 -8.446 -4.303 1.00 0.00 N ATOM 1277 CA LYS A 78 2.592 -9.500 -4.707 1.00 0.00 C ATOM 1278 C LYS A 78 3.709 -8.836 -5.509 1.00 0.00 C ATOM 1279 O LYS A 78 3.472 -8.031 -6.398 1.00 0.00 O ATOM 1280 CB LYS A 78 1.800 -10.498 -5.533 1.00 0.00 C ATOM 1281 CG LYS A 78 1.230 -9.916 -6.779 1.00 0.00 C ATOM 1282 CD LYS A 78 0.604 -10.965 -7.677 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.472 -11.752 -6.962 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.134 -12.717 -7.851 1.00 0.00 N ATOM 0 H LYS A 78 0.982 -8.282 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 78 2.968 -10.095 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.447 -11.335 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.989 -10.899 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.478 -9.171 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.017 -9.397 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.177 -10.482 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.377 -11.647 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.032 -12.281 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.214 -11.065 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.864 -13.234 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.576 -12.211 -8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.431 -13.390 -8.218 1.00 0.00 H new ATOM 1298 N THR A 79 4.835 -9.047 -5.030 1.00 0.00 N ATOM 1299 CA THR A 79 6.137 -8.580 -5.544 1.00 0.00 C ATOM 1300 C THR A 79 6.201 -8.557 -7.096 1.00 0.00 C ATOM 1301 O THR A 79 6.708 -7.614 -7.687 1.00 0.00 O ATOM 1302 CB THR A 79 7.254 -9.526 -5.008 1.00 0.00 C ATOM 1303 OG1 THR A 79 7.088 -10.840 -5.565 1.00 0.00 O ATOM 1304 CG2 THR A 79 7.145 -9.675 -3.506 1.00 0.00 C ATOM 0 H THR A 79 4.946 -9.602 -4.181 1.00 0.00 H new ATOM 0 HA THR A 79 6.277 -7.556 -5.198 1.00 0.00 H new ATOM 0 HB THR A 79 8.216 -9.094 -5.286 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.793 -11.430 -5.227 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.932 -10.339 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.252 -8.698 -3.035 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.172 -10.096 -3.252 1.00 0.00 H new ATOM 1312 N THR A 80 5.619 -9.566 -7.721 1.00 0.00 N ATOM 1313 CA THR A 80 5.578 -9.691 -9.174 1.00 0.00 C ATOM 1314 C THR A 80 4.687 -8.595 -9.839 1.00 0.00 C ATOM 1315 O THR A 80 4.751 -8.379 -11.051 1.00 0.00 O ATOM 1316 CB THR A 80 5.101 -11.129 -9.587 1.00 0.00 C ATOM 1317 OG1 THR A 80 4.956 -11.257 -11.016 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.789 -11.478 -8.906 1.00 0.00 C ATOM 0 H THR A 80 5.156 -10.332 -7.232 1.00 0.00 H new ATOM 0 HA THR A 80 6.592 -9.538 -9.542 1.00 0.00 H new ATOM 0 HB THR A 80 5.872 -11.826 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.660 -12.165 -11.235 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.478 -12.478 -9.207 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.921 -11.449 -7.824 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.025 -10.757 -9.197 1.00 0.00 H new ATOM 1326 N ALA A 81 3.886 -7.889 -9.054 1.00 0.00 N ATOM 1327 CA ALA A 81 3.009 -6.873 -9.597 1.00 0.00 C ATOM 1328 C ALA A 81 3.698 -5.522 -9.639 1.00 0.00 C ATOM 1329 O ALA A 81 3.184 -4.566 -10.227 1.00 0.00 O ATOM 1330 CB ALA A 81 1.716 -6.800 -8.803 1.00 0.00 C ATOM 0 H ALA A 81 3.828 -8.004 -8.042 1.00 0.00 H new ATOM 0 HA ALA A 81 2.763 -7.152 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.071 -6.030 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.208 -7.763 -8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.940 -6.554 -7.765 1.00 0.00 H new ATOM 1336 N VAL A 82 4.866 -5.429 -9.029 1.00 0.00 N ATOM 1337 CA VAL A 82 5.602 -4.184 -9.016 1.00 0.00 C ATOM 1338 C VAL A 82 7.055 -4.386 -9.345 1.00 0.00 C ATOM 1339 O VAL A 82 7.571 -5.515 -9.394 1.00 0.00 O ATOM 1340 CB VAL A 82 5.532 -3.419 -7.656 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.131 -2.944 -7.347 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.061 -4.275 -6.519 1.00 0.00 C ATOM 0 H VAL A 82 5.321 -6.199 -8.539 1.00 0.00 H new ATOM 0 HA VAL A 82 5.111 -3.583 -9.781 1.00 0.00 H new ATOM 0 HB VAL A 82 6.168 -2.539 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.128 -2.417 -6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.793 -2.270 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.460 -3.801 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.000 -3.717 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.464 -5.183 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.100 -4.540 -6.716 1.00 0.00 H new ATOM 1352 N GLU A 83 7.683 -3.295 -9.598 1.00 0.00 N ATOM 1353 CA GLU A 83 9.088 -3.196 -9.782 1.00 0.00 C ATOM 1354 C GLU A 83 9.501 -2.029 -8.939 1.00 0.00 C ATOM 1355 O GLU A 83 9.084 -0.909 -9.215 1.00 0.00 O ATOM 1356 CB GLU A 83 9.417 -2.916 -11.249 1.00 0.00 C ATOM 1357 CG GLU A 83 8.960 -4.006 -12.199 1.00 0.00 C ATOM 1358 CD GLU A 83 9.359 -3.756 -13.630 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.521 -4.029 -13.976 1.00 0.00 O ATOM 1360 OE2 GLU A 83 8.503 -3.327 -14.458 1.00 0.00 O ATOM 0 H GLU A 83 7.206 -2.398 -9.687 1.00 0.00 H new ATOM 0 HA GLU A 83 9.602 -4.117 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.953 -1.974 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.494 -2.786 -11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.377 -4.959 -11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.875 -4.096 -12.142 1.00 0.00 H new ATOM 1367 N ILE A 84 10.235 -2.265 -7.872 1.00 0.00 N ATOM 1368 CA ILE A 84 10.602 -1.151 -7.016 1.00 0.00 C ATOM 1369 C ILE A 84 11.694 -0.325 -7.654 1.00 0.00 C ATOM 1370 O ILE A 84 12.185 -0.658 -8.723 1.00 0.00 O ATOM 1371 CB ILE A 84 11.045 -1.531 -5.571 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.358 -2.302 -5.573 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.953 -2.316 -4.858 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.007 -2.386 -4.215 1.00 0.00 C ATOM 0 H ILE A 84 10.580 -3.180 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 84 9.678 -0.582 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 84 11.211 -0.604 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.177 -3.311 -5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.049 -1.826 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.285 -2.570 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.049 -1.710 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.742 -3.231 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.937 -2.949 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.219 -1.381 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.334 -2.889 -3.521 1.00 0.00 H new ATOM 1386 N ASP A 85 12.014 0.770 -7.056 1.00 0.00 N ATOM 1387 CA ASP A 85 13.149 1.535 -7.492 1.00 0.00 C ATOM 1388 C ASP A 85 14.404 0.861 -6.989 1.00 0.00 C ATOM 1389 O ASP A 85 14.749 0.958 -5.808 1.00 0.00 O ATOM 1390 CB ASP A 85 13.060 2.971 -7.008 1.00 0.00 C ATOM 1391 CG ASP A 85 14.262 3.784 -7.376 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.519 3.976 -8.572 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.961 4.272 -6.465 1.00 0.00 O ATOM 0 H ASP A 85 11.510 1.163 -6.261 1.00 0.00 H new ATOM 0 HA ASP A 85 13.170 1.572 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.169 3.437 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.941 2.977 -5.925 1.00 0.00 H new ATOM 1398 N TYR A 86 15.013 0.108 -7.866 1.00 0.00 N ATOM 1399 CA TYR A 86 16.198 -0.668 -7.553 1.00 0.00 C ATOM 1400 C TYR A 86 17.448 0.183 -7.753 1.00 0.00 C ATOM 1401 O TYR A 86 17.452 1.113 -8.580 1.00 0.00 O ATOM 1402 CB TYR A 86 16.306 -1.900 -8.492 1.00 0.00 C ATOM 1403 CG TYR A 86 15.094 -2.819 -8.550 1.00 0.00 C ATOM 1404 CD1 TYR A 86 14.861 -3.775 -7.574 1.00 0.00 C ATOM 1405 CD2 TYR A 86 14.186 -2.720 -9.594 1.00 0.00 C ATOM 1406 CE1 TYR A 86 13.750 -4.603 -7.636 1.00 0.00 C ATOM 1407 CE2 TYR A 86 13.074 -3.537 -9.661 1.00 0.00 C ATOM 1408 CZ TYR A 86 12.860 -4.476 -8.684 1.00 0.00 C ATOM 1409 OH TYR A 86 11.735 -5.282 -8.741 1.00 0.00 O ATOM 0 H TYR A 86 14.701 0.011 -8.832 1.00 0.00 H new ATOM 0 HA TYR A 86 16.119 -0.994 -6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.512 -1.543 -9.501 1.00 0.00 H new ATOM 0 HB3 TYR A 86 17.168 -2.491 -8.181 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.555 -3.877 -6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.352 -1.989 -10.371 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.582 -5.344 -6.868 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.376 -3.437 -10.479 1.00 0.00 H new ATOM 0 HH TYR A 86 11.452 -5.513 -7.832 1.00 0.00 H new ATOM 1419 N ASP A 87 18.466 -0.088 -6.982 1.00 0.00 N ATOM 1420 CA ASP A 87 19.778 0.502 -7.178 1.00 0.00 C ATOM 1421 C ASP A 87 20.754 -0.651 -7.244 1.00 0.00 C ATOM 1422 O ASP A 87 21.264 -1.120 -6.224 1.00 0.00 O ATOM 1423 CB ASP A 87 20.155 1.466 -6.037 1.00 0.00 C ATOM 1424 CG ASP A 87 21.446 2.235 -6.296 1.00 0.00 C ATOM 1425 OD1 ASP A 87 22.546 1.697 -6.082 1.00 0.00 O ATOM 1426 OD2 ASP A 87 21.379 3.441 -6.702 1.00 0.00 O ATOM 0 H ASP A 87 18.416 -0.730 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 87 19.793 1.098 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.342 2.176 -5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 87 20.258 0.899 -5.112 1.00 0.00 H new ATOM 1431 N SER A 88 20.931 -1.166 -8.429 1.00 0.00 N ATOM 1432 CA SER A 88 21.703 -2.365 -8.625 1.00 0.00 C ATOM 1433 C SER A 88 23.010 -2.079 -9.369 1.00 0.00 C ATOM 1434 O SER A 88 23.952 -2.888 -9.328 1.00 0.00 O ATOM 1435 CB SER A 88 20.860 -3.364 -9.404 1.00 0.00 C ATOM 1436 OG SER A 88 19.526 -3.408 -8.886 1.00 0.00 O ATOM 0 H SER A 88 20.546 -0.769 -9.286 1.00 0.00 H new ATOM 0 HA SER A 88 21.970 -2.775 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 88 20.838 -3.086 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 88 21.312 -4.354 -9.345 1.00 0.00 H new ATOM 0 HG SER A 88 18.997 -4.054 -9.399 1.00 0.00 H new ATOM 1442 N LEU A 89 23.059 -0.965 -10.058 1.00 0.00 N ATOM 1443 CA LEU A 89 24.237 -0.554 -10.781 1.00 0.00 C ATOM 1444 C LEU A 89 24.322 0.957 -10.728 1.00 0.00 C ATOM 1445 O LEU A 89 23.536 1.644 -11.370 1.00 0.00 O ATOM 1446 CB LEU A 89 24.177 -1.042 -12.235 1.00 0.00 C ATOM 1447 CG LEU A 89 25.409 -0.749 -13.093 1.00 0.00 C ATOM 1448 CD1 LEU A 89 26.631 -1.460 -12.546 1.00 0.00 C ATOM 1449 CD2 LEU A 89 25.162 -1.149 -14.531 1.00 0.00 C ATOM 0 H LEU A 89 22.277 -0.314 -10.133 1.00 0.00 H new ATOM 0 HA LEU A 89 25.125 -0.992 -10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 89 24.011 -2.119 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 89 23.309 -0.588 -12.714 1.00 0.00 H new ATOM 0 HG LEU A 89 25.598 0.324 -13.060 1.00 0.00 H new ATOM 0 HD11 LEU A 89 27.494 -1.236 -13.173 1.00 0.00 H new ATOM 0 HD12 LEU A 89 26.824 -1.121 -11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 89 26.455 -2.536 -12.542 1.00 0.00 H new ATOM 0 HD21 LEU A 89 26.049 -0.933 -15.126 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.943 -2.216 -14.579 1.00 0.00 H new ATOM 0 HD23 LEU A 89 24.315 -0.587 -14.925 1.00 0.00 H new ATOM 1461 N LYS A 90 25.250 1.462 -9.950 1.00 0.00 N ATOM 1462 CA LYS A 90 25.387 2.892 -9.729 1.00 0.00 C ATOM 1463 C LYS A 90 25.921 3.573 -10.980 1.00 0.00 C ATOM 1464 O LYS A 90 25.536 4.693 -11.305 1.00 0.00 O ATOM 1465 CB LYS A 90 26.340 3.160 -8.553 1.00 0.00 C ATOM 1466 CG LYS A 90 26.312 4.599 -8.034 1.00 0.00 C ATOM 1467 CD LYS A 90 25.005 4.895 -7.304 1.00 0.00 C ATOM 1468 CE LYS A 90 24.895 4.048 -6.043 1.00 0.00 C ATOM 1469 NZ LYS A 90 23.622 4.239 -5.331 1.00 0.00 N ATOM 0 H LYS A 90 25.935 0.896 -9.449 1.00 0.00 H new ATOM 0 HA LYS A 90 24.403 3.298 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 90 26.087 2.486 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 90 27.357 2.918 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 90 27.153 4.762 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 90 26.432 5.292 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 90 24.958 5.953 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.160 4.691 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.002 2.996 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 90 25.720 4.294 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 23.475 3.454 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 23.649 5.137 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 22.841 4.262 -6.017 1.00 0.00 H new ATOM 1483 N LEU A 91 26.834 2.908 -11.648 1.00 0.00 N ATOM 1484 CA LEU A 91 27.425 3.410 -12.870 1.00 0.00 C ATOM 1485 C LEU A 91 26.984 2.566 -14.048 1.00 0.00 C ATOM 1486 O LEU A 91 27.524 1.486 -14.282 1.00 0.00 O ATOM 1487 CB LEU A 91 28.975 3.427 -12.807 1.00 0.00 C ATOM 1488 CG LEU A 91 29.676 4.514 -11.957 1.00 0.00 C ATOM 1489 CD1 LEU A 91 29.327 4.427 -10.480 1.00 0.00 C ATOM 1490 CD2 LEU A 91 31.178 4.420 -12.143 1.00 0.00 C ATOM 0 H LEU A 91 27.191 1.997 -11.359 1.00 0.00 H new ATOM 0 HA LEU A 91 27.081 4.437 -12.993 1.00 0.00 H new ATOM 0 HB2 LEU A 91 29.301 2.456 -12.434 1.00 0.00 H new ATOM 0 HB3 LEU A 91 29.346 3.517 -13.828 1.00 0.00 H new ATOM 0 HG LEU A 91 29.314 5.480 -12.309 1.00 0.00 H new ATOM 0 HD11 LEU A 91 29.848 5.214 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 91 28.251 4.549 -10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 91 29.631 3.455 -10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 91 31.668 5.187 -11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 91 31.523 3.436 -11.826 1.00 0.00 H new ATOM 0 HD23 LEU A 91 31.425 4.569 -13.194 1.00 0.00 H new ATOM 1502 N LYS A 92 25.980 3.018 -14.748 1.00 0.00 N ATOM 1503 CA LYS A 92 25.525 2.333 -15.938 1.00 0.00 C ATOM 1504 C LYS A 92 26.351 2.799 -17.108 1.00 0.00 C ATOM 1505 O LYS A 92 26.513 4.015 -17.330 1.00 0.00 O ATOM 1506 CB LYS A 92 24.035 2.567 -16.175 1.00 0.00 C ATOM 1507 CG LYS A 92 23.170 2.033 -15.050 1.00 0.00 C ATOM 1508 CD LYS A 92 21.702 2.332 -15.258 1.00 0.00 C ATOM 1509 CE LYS A 92 20.899 1.838 -14.073 1.00 0.00 C ATOM 1510 NZ LYS A 92 19.472 2.188 -14.174 1.00 0.00 N ATOM 0 H LYS A 92 25.456 3.862 -14.518 1.00 0.00 H new ATOM 0 HA LYS A 92 25.655 1.258 -15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 92 23.854 3.636 -16.291 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.741 2.091 -17.110 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.310 0.955 -14.968 1.00 0.00 H new ATOM 0 HG3 LYS A 92 23.496 2.469 -14.106 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.556 3.405 -15.385 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.351 1.852 -16.171 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.000 0.755 -13.996 1.00 0.00 H new ATOM 0 HE3 LYS A 92 21.310 2.263 -13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.966 1.828 -13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.371 3.222 -14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.070 1.762 -15.033 1.00 0.00 H new ATOM 1524 N LYS A 93 26.905 1.864 -17.825 1.00 0.00 N ATOM 1525 CA LYS A 93 27.797 2.171 -18.906 1.00 0.00 C ATOM 1526 C LYS A 93 27.081 2.231 -20.229 1.00 0.00 C ATOM 1527 O LYS A 93 26.714 1.201 -20.807 1.00 0.00 O ATOM 1528 CB LYS A 93 28.982 1.203 -18.957 1.00 0.00 C ATOM 1529 CG LYS A 93 29.939 1.346 -17.784 1.00 0.00 C ATOM 1530 CD LYS A 93 31.114 0.394 -17.907 1.00 0.00 C ATOM 1531 CE LYS A 93 32.130 0.626 -16.801 1.00 0.00 C ATOM 1532 NZ LYS A 93 33.259 -0.320 -16.880 1.00 0.00 N ATOM 0 H LYS A 93 26.751 0.867 -17.677 1.00 0.00 H new ATOM 0 HA LYS A 93 28.196 3.166 -18.710 1.00 0.00 H new ATOM 0 HB2 LYS A 93 28.604 0.181 -18.984 1.00 0.00 H new ATOM 0 HB3 LYS A 93 29.532 1.364 -19.885 1.00 0.00 H new ATOM 0 HG2 LYS A 93 30.304 2.372 -17.734 1.00 0.00 H new ATOM 0 HG3 LYS A 93 29.407 1.151 -16.853 1.00 0.00 H new ATOM 0 HD2 LYS A 93 30.757 -0.635 -17.866 1.00 0.00 H new ATOM 0 HD3 LYS A 93 31.593 0.527 -18.877 1.00 0.00 H new ATOM 0 HE2 LYS A 93 32.507 1.647 -16.864 1.00 0.00 H new ATOM 0 HE3 LYS A 93 31.640 0.526 -15.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 33.928 -0.127 -16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 32.903 -1.293 -16.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 33.743 -0.208 -17.794 1.00 0.00 H new ATOM 1546 N ASP A 94 26.835 3.430 -20.673 1.00 0.00 N ATOM 1547 CA ASP A 94 26.205 3.676 -21.957 1.00 0.00 C ATOM 1548 C ASP A 94 26.885 4.869 -22.622 1.00 0.00 C ATOM 1549 O ASP A 94 26.456 5.368 -23.679 1.00 0.00 O ATOM 1550 CB ASP A 94 24.697 3.935 -21.796 1.00 0.00 C ATOM 1551 CG ASP A 94 24.351 5.313 -21.267 1.00 0.00 C ATOM 1552 OD1 ASP A 94 24.736 5.661 -20.133 1.00 0.00 O ATOM 1553 OD2 ASP A 94 23.651 6.066 -21.974 1.00 0.00 O ATOM 0 H ASP A 94 27.065 4.279 -20.156 1.00 0.00 H new ATOM 0 HA ASP A 94 26.319 2.792 -22.584 1.00 0.00 H new ATOM 0 HB2 ASP A 94 24.212 3.798 -22.762 1.00 0.00 H new ATOM 0 HB3 ASP A 94 24.282 3.186 -21.122 1.00 0.00 H new ATOM 1558 N LEU A 95 27.953 5.315 -22.005 1.00 0.00 N ATOM 1559 CA LEU A 95 28.734 6.404 -22.503 1.00 0.00 C ATOM 1560 C LEU A 95 30.015 5.852 -23.108 1.00 0.00 C ATOM 1561 O LEU A 95 30.695 5.022 -22.493 1.00 0.00 O ATOM 1562 CB LEU A 95 29.068 7.372 -21.361 1.00 0.00 C ATOM 1563 CG LEU A 95 29.915 8.589 -21.723 1.00 0.00 C ATOM 1564 CD1 LEU A 95 29.182 9.492 -22.687 1.00 0.00 C ATOM 1565 CD2 LEU A 95 30.310 9.347 -20.476 1.00 0.00 C ATOM 0 H LEU A 95 28.302 4.921 -21.131 1.00 0.00 H new ATOM 0 HA LEU A 95 28.171 6.945 -23.264 1.00 0.00 H new ATOM 0 HB2 LEU A 95 28.132 7.725 -20.929 1.00 0.00 H new ATOM 0 HB3 LEU A 95 29.588 6.814 -20.583 1.00 0.00 H new ATOM 0 HG LEU A 95 30.821 8.238 -22.216 1.00 0.00 H new ATOM 0 HD11 LEU A 95 29.808 10.351 -22.928 1.00 0.00 H new ATOM 0 HD12 LEU A 95 28.954 8.941 -23.600 1.00 0.00 H new ATOM 0 HD13 LEU A 95 28.254 9.836 -22.230 1.00 0.00 H new ATOM 0 HD21 LEU A 95 30.914 10.212 -20.752 1.00 0.00 H new ATOM 0 HD22 LEU A 95 29.413 9.682 -19.954 1.00 0.00 H new ATOM 0 HD23 LEU A 95 30.888 8.695 -19.822 1.00 0.00 H new ATOM 1577 N GLU A 96 30.312 6.271 -24.301 1.00 0.00 N ATOM 1578 CA GLU A 96 31.516 5.873 -24.988 1.00 0.00 C ATOM 1579 C GLU A 96 32.654 6.739 -24.505 1.00 0.00 C ATOM 1580 O GLU A 96 32.680 7.925 -24.863 1.00 0.00 O ATOM 1581 CB GLU A 96 31.352 6.027 -26.499 1.00 0.00 C ATOM 1582 CG GLU A 96 30.184 5.256 -27.075 1.00 0.00 C ATOM 1583 CD GLU A 96 30.083 5.400 -28.565 1.00 0.00 C ATOM 1584 OE1 GLU A 96 29.462 6.370 -29.044 1.00 0.00 O ATOM 1585 OE2 GLU A 96 30.606 4.527 -29.287 1.00 0.00 O ATOM 1586 OXT GLU A 96 33.522 6.250 -23.752 1.00 0.00 O ATOM 0 H GLU A 96 29.721 6.907 -24.836 1.00 0.00 H new ATOM 0 HA GLU A 96 31.724 4.824 -24.775 1.00 0.00 H new ATOM 0 HB2 GLU A 96 31.227 7.084 -26.734 1.00 0.00 H new ATOM 0 HB3 GLU A 96 32.268 5.697 -26.989 1.00 0.00 H new ATOM 0 HG2 GLU A 96 30.288 4.201 -26.821 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.259 5.605 -26.615 1.00 0.00 H new TER 1593 GLU A 96